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Isoform 5 of NMDA receptor synaptonuclear signaling and neuronal migration factor AlphaSync

Canonical isoform description: Couples NMDA-sensitive glutamate receptor signaling to the nucleus and triggers long-lasting changes in the cytoarchitecture of dendrites and spine synapse processes. Part of the cAMP response element-binding protein (CREB) shut-off signaling pathway. Stimulates outgrowth of olfactory axons and migration of gonadotropin-releasing hormone (GnRH) and luteinizing-hormone-releasing hormone (LHRH) neuronal cells.

AlphaFold DB , UniProt , Accession Q99NF2-5 (canonical: Q99NF2), Species MOUSE (Mus musculus, Mouse), Gene Nsmf, Length 226 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	57.1	Low	58.4	Low	249 Å²	249	138.5 Å²	138.5	100%	1.227	79%	0.79	S	S	*	*				0	100.3	0	-80.5	173.9	-92	0	0	108.6
2	G	56.2	Low	58.5	Low	83 Å²	83	146.2 Å²	146.2	86%	0.856	80%	0.797	S	S	*	*			trans	-96.6	109.5	-174.6	0	0	0	0	0	112	A4	G2-A4 PolarHBondContact O-N 3.17Å
3	A	54.9	Low	58.5	Low	103 Å²	103	140.3 Å²	140.3	85%	0.851	77%	0.773	S	S	*	*			trans	-88.9	88.7	172.7	0	0	0	0	0	109.5	A5	A3-A5 VanDerWaalsContact C-N 3.28Å; A3-A5 PolarHBondContact O-N 2.96Å
4	A	59.7	Low	58.5	Low	99 Å²	99	140.6 Å²	140.6	82%	0.818	77%	0.766	S	S	*	*			trans	-73.3	85.4	169.5	0	0	0	0	0	109.1	G2 S6	G2-A4 PolarHBondContact O-N 3.17Å; A4-S6 VanDerWaalsContact C-N 3.34Å; A4-S6 PolarHBondContact O-N 3.41Å
5	A	58	Low	58.5	Low	84 Å²	84	135.4 Å²	135.4	69%	0.694	75%	0.75	S	S	*	*			trans	-67.8	93.6	172.9	0	0	0	0	0	109.3	A3 R7	A3-A5 VanDerWaalsContact C-N 3.28Å; A3-A5 PolarHBondContact O-N 2.96Å; A5-R7 WeakPolarHBondContact O-CG 3.48Å; A5-R7 PolarHBondContact O-N 3.06Å
6	S	63.5	Low	58.6	Low	98 Å²	98	137.4 Å²	137.4	69%	0.685	75%	0.754	S	S	*	*			trans	-59.6	102.4	174.6	178.7	0	0	0	0	109.6	A4 R8	A4-S6 VanDerWaalsContact C-N 3.34Å; A4-S6 PolarHBondContact O-N 3.41Å; S6-R8 PolarHBondContact O-N 3.01Å
7	R	58.9	Low	58.8	Low	186 Å²	186	135.1 Å²	135.1	70%	0.702	75%	0.75	S	S	*	*			trans	-74.5	78.9	177.8	-52.3	-172.1	-156.1	-149.9	5.4	108.3	A5 R9	A5-R7 WeakPolarHBondContact O-CG 3.48Å; A5-R7 PolarHBondContact O-N 3.06Å; R7-R9 HydrophobicContact CB-CG 4.19Å; R7-R9 VanDerWaalsContact CD-CZ 3.41Å; R7-R9 VanDerWaalsContact CD-NH2 3.3Å; R7-R9 PolarHBondContact O-N 2.99Å
8	R	58.5	Low	59.9	Low	235 Å²	235	130.4 Å²	130.4	89%	0.887	73%	0.729	S	S	*	*			trans	-68.5	68.6	161.5	-71.2	-171.3	-94.4	-165.7	-4.9	108.3	S6 A10	S6-R8 PolarHBondContact O-N 3.01Å; R8-A10 PolarHBondContact O-N 2.83Å
9	R	58.4	Low	61.2	Low	172 Å²	172	129.6 Å²	129.6	65%	0.649	73%	0.727	S	S	*	*			trans	-69.1	131.2	174.6	-74.8	176.4	-172.5	143.9	-13	107.8	R7 L11	R7-R9 HydrophobicContact CB-CG 4.19Å; R7-R9 VanDerWaalsContact CD-CZ 3.41Å; R7-R9 VanDerWaalsContact CD-NH2 3.3Å; R7-R9 PolarHBondContact O-N 2.99Å; R9-L11 PolarHBondContact O-N 3.27Å
10	A	58.9	Low	62.4	Low	66 Å²	66	126.6 Å²	126.6	55%	0.545	72%	0.719	S	S	.	*			trans	-62.7	91.9	-173.3	0	0	0	0	0	111.7	R8 R12	R8-A10 PolarHBondContact O-N 2.83Å; A10-R12 PolarHBondContact O-N 3.45Å
11	L	58.4	Low	63.5	Low	148 Å²	148	122 Å²	122	78%	0.775	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	13.3	167.2	-64.4	176.8	0	0	0	112.9	R9	R9-L11 PolarHBondContact O-N 3.27Å
12	R	59.9	Low	65.1	Low	231 Å²	231	117.9 Å²	117.9	87%	0.872	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-24.4	-174.2	-53.8	-171.8	98.9	100.5	-1.3	112.8	A10	A10-R12 PolarHBondContact O-N 3.45Å
13	S	58.3	Low	66.8	Low	70 Å²	70	118.4 Å²	118.4	49%	0.49	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.1	-31.6	-172.9	55.1	0	0	0	0	115.3	A15 M16 S17	S13-A15 VanDerWaalsContact C-N 3.28Å; S13-A15 PolarHBondContact O-N 2.88Å; S13-M16 PolarHBondContact O-N 3.39Å; S13-S17 WeakPolarHBondContact O-CB 3.46Å; S13-S17 PolarHBondContact O-N 3.48Å
14	E	58.1	Low	68.4	Low	144 Å²	144	123 Å²	123	67%	0.673	65%	0.654	S	S	*	*	H	α-helix	trans	-65.9	-30.4	-178.4	-78.8	-178.3	160.6	0	0	113.1	M16 S18	E14-M16 VanDerWaalsContact C-N 3.33Å; E14-M16 PolarHBondContact O-N 3.44Å; E14-S18 WeakPolarHBondContact O-CB 3.43Å; E14-S18 PolarHBondContact O-N 3.16Å
15	A	59.4	Low	69.8	Low	63 Å²	63	121.1 Å²	121.1	52%	0.521	64%	0.638	S	S	.	*	H	α-helix	trans	-68.5	-30	178.8	0	0	0	0	0	113.2	S13 A21	S13-A15 VanDerWaalsContact C-N 3.28Å; S13-A15 PolarHBondContact O-N 2.88Å; A15-A21 WeakPolarHBondContact O-CB 3.34Å
16	M	58.9	Low	71.3	Confident	167 Å²	167	120 Å²	120	82%	0.823	63%	0.63	S	S	*	*	H	α-helix	trans	-103.9	-27.6	-175.9	-65.6	-65.3	150.3	0	0	113.2	S13 E14	S13-M16 PolarHBondContact O-N 3.39Å; E14-M16 VanDerWaalsContact C-N 3.33Å; E14-M16 PolarHBondContact O-N 3.44Å
17	S	63.3	Low	72.4	Confident	98 Å²	98	123.8 Å²	123.8	69%	0.685	63%	0.629	S	S	*	*	H	α-helix	trans	-100.9	-2.3	-175.1	-171.7	0	0	0	0	114.4	S13 V19	S13-S17 WeakPolarHBondContact O-CB 3.46Å; S13-S17 PolarHBondContact O-N 3.48Å; S17-V19 PolarHBondContact O-N 2.91Å
18	S	78	Confident	73.7	Confident	52 Å²	52	117.5 Å²	117.5	36%	0.364	62%	0.616	S	S	.	*			trans	-71.8	129.5	178.5	177	0	0	0	0	110.9	E14 A20 A21 K22	E14-S18 WeakPolarHBondContact O-CB 3.43Å; E14-S18 PolarHBondContact O-N 3.16Å; S18-A20 PolarHBondContact O-N 3.25Å; S18-A20 PolarHBondContact OG-N 2.75Å; S18-A21 WeakPolarHBondContact O-CA 3.27Å; S18-A21 WeakPolarHBondContact O-CB 3.18Å; S18-A21 PolarHBondContact O-N 2.63Å; S18-K22 PolarHBondContact O-N 3.33Å
19	V	85.4	Confident	74.8	Confident	115 Å²	115	112.5 Å²	112.5	70%	0.697	60%	0.601	S	S	*	*	H	α-helix	trans	-51.4	-38.9	171.7	174.8	0	0	0	0	110.6	S17 A21 K22 V23	S17-V19 PolarHBondContact O-N 2.91Å; V19-A21 VanDerWaalsContact C-N 3.33Å; V19-A21 PolarHBondContact O-N 3.34Å; V19-K22 PolarHBondContact O-N 3.4Å; V19-V23 HydrophobicContact CG1-CG2 4.23Å; V19-V23 WeakPolarHBondContact O-CG2 3.22Å; V19-V23 PolarHBondContact O-N 3.23Å
20	A	84.2	Confident	76.2	Confident	68 Å²	68	105.8 Å²	105.8	56%	0.562	59%	0.585	S	S	*	*	H	α-helix	trans	-62.8	-38.6	177.2	0	0	0	0	0	112.4	S18 R24	S18-A20 PolarHBondContact O-N 3.25Å; S18-A20 PolarHBondContact OG-N 2.75Å; A20-R24 VanDerWaalsContact O-CB 3.31Å; A20-R24 WeakPolarHBondContact O-CB 3.22Å; A20-R24 PolarHBondContact O-N 2.94Å
21	A	85.8	Confident	77.3	Confident	32 Å²	32	107 Å²	107	26%	0.264	58%	0.58	S	S	.	*	H	α-helix	trans	-67.2	-42.9	175	0	0	0	0	0	111	A15 S18 V19 R24 A25	A15-A21 WeakPolarHBondContact O-CB 3.34Å; S18-A21 WeakPolarHBondContact O-CA 3.27Å; S18-A21 WeakPolarHBondContact O-CB 3.18Å; S18-A21 PolarHBondContact O-N 2.63Å; V19-A21 VanDerWaalsContact C-N 3.33Å; V19-A21 PolarHBondContact O-N 3.34Å; A21-R24 PolarHBondContact O-N 3.27Å; A21-A25 WeakPolarHBondContact O-CB 3.35Å; A21-A25 PolarHBondContact O-N 2.88Å
22	K	91.6	Very high	78.3	Confident	162 Å²	162	107.9 Å²	107.9	70%	0.704	57%	0.574	S	S	*	*	H	α-helix	trans	-63	-43.8	176.6	-171.7	174.9	-177	-179.6	0	112.5	S18 V19 R24 A25 A26	S18-K22 PolarHBondContact O-N 3.33Å; V19-K22 PolarHBondContact O-N 3.4Å; K22-R24 VanDerWaalsContact C-N 3.35Å; K22-A25 PolarHBondContact O-N 3.21Å; K22-A26 VanDerWaalsContact O-CB 3.31Å; K22-A26 WeakPolarHBondContact O-CB 3.03Å; K22-A26 PolarHBondContact O-N 2.9Å
23	V	92	Very high	79	Confident	93 Å²	93	101.5 Å²	101.5	56%	0.564	56%	0.557	S	S	*	*	H	α-helix	trans	-63.4	-42.7	176.5	171	0	0	0	0	110.6	V19 A26 R27	V19-V23 HydrophobicContact CG1-CG2 4.23Å; V19-V23 WeakPolarHBondContact O-CG2 3.22Å; V19-V23 PolarHBondContact O-N 3.23Å; V23-A26 PolarHBondContact O-N 2.99Å; V23-R27 WeakPolarHBondContact O-CB 3.3Å; V23-R27 PolarHBondContact O-N 3.3Å
24	R	87.6	Confident	79.6	Confident	199 Å²	199	103.1 Å²	103.1	75%	0.751	57%	0.568	S	S	*	*	H	α-helix	trans	-61.8	-46.2	175.4	-174.5	-176.2	-67.4	-138.5	-0.6	111.7	A20 A21 K22 R27 A28	A20-R24 VanDerWaalsContact O-CB 3.31Å; A20-R24 WeakPolarHBondContact O-CB 3.22Å; A20-R24 PolarHBondContact O-N 2.94Å; A21-R24 PolarHBondContact O-N 3.27Å; K22-R24 VanDerWaalsContact C-N 3.35Å; R24-R27 PolarHBondContact O-N 3.37Å; R24-A28 WeakPolarHBondContact O-CB 3.22Å; R24-A28 PolarHBondContact O-N 3.45Å
25	A	88.3	Confident	79.9	Confident	60 Å²	60	103 Å²	103	50%	0.496	57%	0.567	S	S	.	*	H	α-helix	trans	-65.2	-42.9	178.8	0	0	0	0	0	112.1	A21 K22 R27 A28 F29	A21-A25 WeakPolarHBondContact O-CB 3.35Å; A21-A25 PolarHBondContact O-N 2.88Å; K22-A25 PolarHBondContact O-N 3.21Å; A25-R27 VanDerWaalsContact C-N 3.34Å; A25-R27 PolarHBondContact O-N 3.24Å; A25-A28 PolarHBondContact O-N 3.22Å; A25-F29 WeakPolarHBondContact O-CB 3.42Å; A25-F29 PolarHBondContact O-N 3.27Å
26	A	89.9	Confident	79.9	Confident	62 Å²	62	104.1 Å²	104.1	51%	0.512	57%	0.572	S	S	.	*	H	α-helix	trans	-63.4	-40	176.5	0	0	0	0	0	112	K22 V23 F29 G30	K22-A26 VanDerWaalsContact O-CB 3.31Å; K22-A26 WeakPolarHBondContact O-CB 3.03Å; K22-A26 PolarHBondContact O-N 2.9Å; V23-A26 PolarHBondContact O-N 2.99Å; A26-F29 PolarHBondContact O-N 3.08Å; A26-G30 PolarHBondContact O-N 3.36Å
27	R	86.3	Confident	79.6	Confident	176 Å²	176	101.8 Å²	101.8	66%	0.664	56%	0.559	S	S	*	*	H	α-helix	trans	-64.8	-47.1	174.7	-174.4	178.7	-175.2	138.1	3.7	111.8	V23 R24 A25 F29 G30 E31	V23-R27 WeakPolarHBondContact O-CB 3.3Å; V23-R27 PolarHBondContact O-N 3.3Å; R24-R27 PolarHBondContact O-N 3.37Å; A25-R27 VanDerWaalsContact C-N 3.34Å; A25-R27 PolarHBondContact O-N 3.24Å; R27-F29 VanDerWaalsContact C-N 3.26Å; R27-F29 PolarHBondContact O-N 3.25Å; R27-G30 PolarHBondContact O-N 3.07Å; R27-G30 VanDerWaalsContact O-N 3.13Å; R27-E31 IonicContact NE-OE1 3.15Å; R27-E31 PolarHBondContact NE-OE1 2.86Å; R27-E31 VanDerWaalsContact NE-OE1 3.15Å; R27-E31 PolarHBondContact O-N 3.01Å
28	A	85.8	Confident	79.3	Confident	54 Å²	54	101.8 Å²	101.8	45%	0.446	56%	0.556	S	S	.	*	H	α-helix	trans	-59.6	-38.9	175.9	0	0	0	0	0	111.6	R24 A25 E31 Y32	R24-A28 WeakPolarHBondContact O-CB 3.22Å; R24-A28 PolarHBondContact O-N 3.45Å; A25-A28 PolarHBondContact O-N 3.22Å; A28-E31 PolarHBondContact O-N 3.38Å; A28-Y32 WeakPolarHBondContact O-CB 3.42Å; A28-Y32 PolarHBondContact O-N 2.81Å
29	F	83.1	Confident	78.3	Confident	131 Å²	131	105.5 Å²	105.5	58%	0.575	57%	0.568	S	S	*	*	H	α-helix	trans	-66.8	-40.4	174.4	-172.6	-102.4	0	0	0	112.3	A25 A26 R27 Y32 L33	A25-F29 WeakPolarHBondContact O-CB 3.42Å; A25-F29 PolarHBondContact O-N 3.27Å; A26-F29 PolarHBondContact O-N 3.08Å; R27-F29 VanDerWaalsContact C-N 3.26Å; R27-F29 PolarHBondContact O-N 3.25Å; F29-Y32 PolarHBondContact O-N 3.35Å; F29-L33 HydrophobicContact CD1-CD1 3.91Å; F29-L33 HydrophobicContact CD1-CG 4.26Å; F29-L33 HydrophobicContact CE1-CD1 3.42Å; F29-L33 VanDerWaalsContact CE1-CD1 3.42Å; F29-L33 HydrophobicContact CE1-CD2 4.44Å; F29-L33 HydrophobicContact CE1-CG 3.94Å; F29-L33 HydrophobicContact CZ-CD1 4Å; F29-L33 HydrophobicContact CZ-CD2 4.2Å; F29-L33 HydrophobicContact CZ-CG 4.16Å; F29-L33 WeakPolarHBondContact O-CG 3.28Å; F29-L33 PolarHBondContact O-N 3.03Å
30	G	86.7	Confident	76.8	Confident	30 Å²	30	107.1 Å²	107.1	31%	0.309	57%	0.573	S	S	.	*	H	α-helix	trans	-64.1	-41.9	174.8	0	0	0	0	0	112.5	A26 R27 L33 S34	A26-G30 PolarHBondContact O-N 3.36Å; R27-G30 PolarHBondContact O-N 3.07Å; R27-G30 VanDerWaalsContact O-N 3.13Å; G30-L33 PolarHBondContact O-N 2.9Å; G30-S34 WeakPolarHBondContact O-CB 3.4Å; G30-S34 PolarHBondContact O-N 3.17Å; G30-S34 PolarHBondContact O-OG 2.83Å
31	E	81.4	Confident	75.5	Confident	91 Å²	91	113.3 Å²	113.3	43%	0.425	58%	0.581	S	S	.	*	H	α-helix	trans	-65.1	-38.6	173.9	-75	167.8	-165	0	0	111.2	R27 A28 S34 Q35	R27-E31 IonicContact NE-OE1 3.15Å; R27-E31 PolarHBondContact NE-OE1 2.86Å; R27-E31 VanDerWaalsContact NE-OE1 3.15Å; R27-E31 PolarHBondContact O-N 3.01Å; A28-E31 PolarHBondContact O-N 3.38Å; E31-S34 CarbonylContact O-C 3.58Å; E31-S34 PolarHBondContact O-N 3.26Å; E31-Q35 VanDerWaalsContact O-CB 3.28Å; E31-Q35 WeakPolarHBondContact O-CB 3.34Å; E31-Q35 VanDerWaalsContact O-CG 3.23Å; E31-Q35 WeakPolarHBondContact O-CG 3.5Å; E31-Q35 PolarHBondContact O-N 3.21Å
32	Y	81.4	Confident	74	Confident	167 Å²	167	115.1 Å²	115.1	66%	0.655	59%	0.587	S	S	*	*	H	α-helix	trans	-64	-44.3	174.7	179.9	-102.6	0	0	0	112.6	A28 F29 S34 Q35 S36	A28-Y32 WeakPolarHBondContact O-CB 3.42Å; A28-Y32 PolarHBondContact O-N 2.81Å; F29-Y32 PolarHBondContact O-N 3.35Å; Y32-S34 VanDerWaalsContact C-N 3.31Å; Y32-S34 PolarHBondContact O-N 2.77Å; Y32-Q35 CarbonylContact O-C 3.23Å; Y32-Q35 VanDerWaalsContact O-C 3.23Å; Y32-Q35 WeakPolarHBondContact O-CA 3.34Å; Y32-Q35 PolarHBondContact O-N 3.23Å; Y32-S36 PolarHBondContact O-N 3.09Å
33	L	74	Confident	72.5	Confident	97 Å²	97	110.4 Å²	110.4	51%	0.508	58%	0.584	S	S	.	*	H	α-helix	trans	-65.8	-35.4	173.7	-69.3	-176.8	0	0	0	112.1	F29 G30 Q35 S36	F29-L33 HydrophobicContact CD1-CD1 3.91Å; F29-L33 HydrophobicContact CD1-CG 4.26Å; F29-L33 HydrophobicContact CE1-CD1 3.42Å; F29-L33 VanDerWaalsContact CE1-CD1 3.42Å; F29-L33 HydrophobicContact CE1-CD2 4.44Å; F29-L33 HydrophobicContact CE1-CG 3.94Å; F29-L33 HydrophobicContact CZ-CD1 4Å; F29-L33 HydrophobicContact CZ-CD2 4.2Å; F29-L33 HydrophobicContact CZ-CG 4.16Å; F29-L33 WeakPolarHBondContact O-CG 3.28Å; F29-L33 PolarHBondContact O-N 3.03Å; G30-L33 PolarHBondContact O-N 2.9Å; L33-Q35 VanDerWaalsContact C-N 3.29Å; L33-S36 VanDerWaalsContact O-CB 3.22Å; L33-S36 WeakPolarHBondContact O-CB 3.23Å; L33-S36 PolarHBondContact O-N 2.79Å; L33-S36 VanDerWaalsContact O-N 3.09Å; L33-S36 PolarHBondContact O-OG 3.35Å
34	S	70.6	Confident	70.8	Confident	104 Å²	104	109.3 Å²	109.3	73%	0.727	59%	0.585	S	S	*	*	H	α-helix	trans	-70.7	-29.8	175.3	-55.7	0	0	0	0	111.7	G30 E31 Y32 S36	G30-S34 WeakPolarHBondContact O-CB 3.4Å; G30-S34 PolarHBondContact O-N 3.17Å; G30-S34 PolarHBondContact O-OG 2.83Å; E31-S34 CarbonylContact O-C 3.58Å; E31-S34 PolarHBondContact O-N 3.26Å; Y32-S34 VanDerWaalsContact C-N 3.31Å; Y32-S34 PolarHBondContact O-N 2.77Å; S34-S36 PolarHBondContact O-N 3.06Å
35	Q	64.7	Low	69.5	Low	141 Å²	141	104.3 Å²	104.3	66%	0.659	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	20.7	169.1	-70.3	176.3	55.6	0	0	111.8	E31 Y32 L33 H37	E31-Q35 VanDerWaalsContact O-CB 3.28Å; E31-Q35 WeakPolarHBondContact O-CB 3.34Å; E31-Q35 VanDerWaalsContact O-CG 3.23Å; E31-Q35 WeakPolarHBondContact O-CG 3.5Å; E31-Q35 PolarHBondContact O-N 3.21Å; Y32-Q35 CarbonylContact O-C 3.23Å; Y32-Q35 VanDerWaalsContact O-C 3.23Å; Y32-Q35 WeakPolarHBondContact O-CA 3.34Å; Y32-Q35 PolarHBondContact O-N 3.23Å; L33-Q35 VanDerWaalsContact C-N 3.29Å; Q35-H37 VanDerWaalsContact C-N 3.3Å; Q35-H37 VanDerWaalsContact O-CA 3.3Å; Q35-H37 WeakPolarHBondContact O-CA 3.35Å; Q35-H37 PolarHBondContact O-N 2.94Å
36	S	58.5	Low	68.1	Low	88 Å²	88	107 Å²	107	62%	0.615	58%	0.575	S	S	*	*			trans	-42.6	103.2	173.3	57.2	0	0	0	0	108.2	Y32 L33 S34 P38	Y32-S36 PolarHBondContact O-N 3.09Å; L33-S36 VanDerWaalsContact O-CB 3.22Å; L33-S36 WeakPolarHBondContact O-CB 3.23Å; L33-S36 PolarHBondContact O-N 2.79Å; L33-S36 VanDerWaalsContact O-N 3.09Å; L33-S36 PolarHBondContact O-OG 3.35Å; S34-S36 PolarHBondContact O-N 3.06Å; S36-P38 WeakPolarHBondContact O-CD 3.37Å; S36-P38 VanDerWaalsContact O-N 3.09Å
37	H	54.1	Low	66.8	Low	118 Å²	118	110.5 Å²	110.5	55%	0.546	58%	0.584	S	S	.	*			trans	-50.4	112.7	-164.9	-169.9	49.3	0	0	0	107.6	Q35 E39 N40	Q35-H37 VanDerWaalsContact C-N 3.3Å; Q35-H37 VanDerWaalsContact O-CA 3.3Å; Q35-H37 WeakPolarHBondContact O-CA 3.35Å; Q35-H37 PolarHBondContact O-N 2.94Å; H37-E39 IonicContact CE1-OE1 2.94Å; H37-E39 PolarHBondContact CE1-OE1 2.97Å; H37-E39 IonicContact CE1-OE2 2.94Å; H37-E39 PolarHBondContact CE1-OE2 2.71Å; H37-E39 IonicContact CG-OE2 3.65Å; H37-E39 IonicContact ND1-OE1 3.65Å; H37-E39 IonicContact ND1-OE2 2.71Å; H37-E39 PolarHBondContact ND1-OE2 2.94Å; H37-E39 IonicContact NE2-OE1 3.63Å; H37-E39 IonicContact NE2-OE2 3.9Å; H37-E39 PolarHBondContact O-N 3.37Å; H37-N40 PolarHBondContact O-N 2.68Å; H37-N40 VanDerWaalsContact O-N 3.09Å
38	P	56.8	Low	65.5	Low	98 Å²	98	108 Å²	108	64%	0.636	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-61	-9.5	175.6	25.1	-32.4	0	0	0	111.4	S36 N40 R41	S36-P38 WeakPolarHBondContact O-CD 3.37Å; S36-P38 VanDerWaalsContact O-N 3.09Å; P38-N40 PolarHBondContact O-N 3.19Å; P38-R41 WeakPolarHBondContact O-CB 3.43Å; P38-R41 PolarHBondContact O-N 3.42Å
39	E	56.7	Low	64.2	Low	129 Å²	129	108.1 Å²	108.1	60%	0.603	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-70.1	1.8	170.9	-71.2	128.5	101.9	0	0	115.1	H37	H37-E39 IonicContact CE1-OE1 2.94Å; H37-E39 PolarHBondContact CE1-OE1 2.97Å; H37-E39 IonicContact CE1-OE2 2.94Å; H37-E39 PolarHBondContact CE1-OE2 2.71Å; H37-E39 IonicContact CG-OE2 3.65Å; H37-E39 IonicContact ND1-OE1 3.65Å; H37-E39 IonicContact ND1-OE2 2.71Å; H37-E39 PolarHBondContact ND1-OE2 2.94Å; H37-E39 IonicContact NE2-OE1 3.63Å; H37-E39 IonicContact NE2-OE2 3.9Å; H37-E39 PolarHBondContact O-N 3.37Å
40	N	54	Low	63	Low	150 Å²	150	108 Å²	108	80%	0.802	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-82.4	-0.5	156.8	-167	11.8	0	0	0	112.6	H37 P38 N42	H37-N40 PolarHBondContact O-N 2.68Å; H37-N40 VanDerWaalsContact O-N 3.09Å; P38-N40 PolarHBondContact O-N 3.19Å; N40-N42 PolarHBondContact O-N 3.09Å
41	R	57.2	Low	61.8	Low	197 Å²	197	110.2 Å²	110.2	74%	0.743	61%	0.605	S	S	*	*	S	Bend	trans	-84.4	96.2	156.2	-77.1	-173.9	169.1	170.8	-2.8	107.4	P38	P38-R41 WeakPolarHBondContact O-CB 3.43Å; P38-R41 PolarHBondContact O-N 3.42Å
42	N	54.4	Low	60.6	Low	71 Å²	71	116 Å²	116	38%	0.38	62%	0.624	S	S	.	*			trans	91.3	48	144.4	-41.4	-16.5	0	0	0	115.8	N40 A44 D45 H46	N40-N42 PolarHBondContact O-N 3.09Å; N42-A44 PolarHBondContact O-N 3.23Å; N42-D45 HydrophobicContact CB-CB 3.59Å; N42-D45 WeakPolarHBondContact CB-OD2 3.38Å; N42-D45 PolarHBondContact ND2-OD2 3.45Å; N42-D45 PolarHBondContact O-N 3.5Å; N42-H46 PolarHBondContact O-N 3.02Å; N42-H46 PolarHBondContact O-ND1 2.75Å
43	G	58.7	Low	59.5	Low	62 Å²	62	112.2 Å²	112.2	64%	0.639	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	-16.9	157.5	0	0	0	0	0	113.4
44	A	57	Low	58.4	Low	71 Å²	71	111.6 Å²	111.6	59%	0.587	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-29.9	171.8	0	0	0	0	0	114.3	N42	N42-A44 PolarHBondContact O-N 3.23Å
45	D	59.7	Low	57.4	Low	93 Å²	93	114.5 Å²	114.5	50%	0.497	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.6	-25.2	-178.6	-57.8	-16.1	0	0	0	111.8	N42 L47 L48	N42-D45 HydrophobicContact CB-CB 3.59Å; N42-D45 WeakPolarHBondContact CB-OD2 3.38Å; N42-D45 PolarHBondContact ND2-OD2 3.45Å; N42-D45 PolarHBondContact O-N 3.5Å; D45-L47 PolarHBondContact O-N 2.77Å; D45-L48 PolarHBondContact O-N 2.91Å
46	H	58.3	Low	56.6	Low	117 Å²	117	115.8 Å²	115.8	54%	0.542	65%	0.652	S	S	.	*	H	α-helix	trans	-70.5	-21.8	178	-72.1	67.9	0	0	0	112.7	N42 L48 A49	N42-H46 PolarHBondContact O-N 3.02Å; N42-H46 PolarHBondContact O-ND1 2.75Å; H46-L48 PolarHBondContact O-N 3.38Å; H46-A49 PolarHBondContact O-N 3.3Å
47	L	62.9	Low	56.2	Low	136 Å²	136	113.9 Å²	113.9	71%	0.712	65%	0.647	S	S	*	*	H	α-helix	trans	-65.3	-20.6	174.7	-61.1	-178.6	0	0	0	112.6	D45	D45-L47 PolarHBondContact O-N 2.77Å
48	L	59.1	Low	56.5	Low	124 Å²	124	113.7 Å²	113.7	65%	0.649	66%	0.659	S	S	*	*	H	α-helix	trans	-98.7	-24.2	180	-60.6	-178.4	0	0	0	113.3	D45 H46	D45-L48 PolarHBondContact O-N 2.91Å; H46-L48 PolarHBondContact O-N 3.38Å
49	A	60.1	Low	56.7	Low	55 Å²	55	114.6 Å²	114.6	46%	0.455	66%	0.664	S	S	.	*	H	α-helix	trans	-68.8	-37.4	-179.3	0	0	0	0	0	112.1	H46 A51	H46-A49 PolarHBondContact O-N 3.3Å; A49-A51 VanDerWaalsContact C-N 3.31Å; A49-A51 PolarHBondContact O-N 2.91Å
50	D	57.6	Low	57	Low	130 Å²	130	117.7 Å²	117.7	70%	0.695	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-15.9	-176.6	-65.7	-22	0	0	0	113	Y52	D50-Y52 VanDerWaalsContact C-N 3.35Å; D50-Y52 PolarHBondContact O-N 2.89Å
51	A	60.2	Low	57.2	Low	76 Å²	76	118.9 Å²	118.9	63%	0.628	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-18.3	-179.3	0	0	0	0	0	114	A49	A49-A51 VanDerWaalsContact C-N 3.31Å; A49-A51 PolarHBondContact O-N 2.91Å
52	Y	55.9	Low	57.5	Low	211 Å²	211	118 Å²	118	83%	0.827	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	-6.8	-179.2	-73.6	-78.8	0	0	0	114.6	D50 G54	D50-Y52 VanDerWaalsContact C-N 3.35Å; D50-Y52 PolarHBondContact O-N 2.89Å; Y52-G54 PolarHBondContact O-N 3.48Å
53	S	58.5	Low	57.6	Low	88 Å²	88	120.1 Å²	120.1	62%	0.615	70%	0.704	S	S	*	*			trans	-83.1	75.2	172.3	-61.4	0	0	0	0	108.9	H55	S53-H55 PolarHBondContact O-N 2.79Å
54	G	51.9	Low	57.8	Low	84 Å²	84	121.3 Å²	121.3	87%	0.866	71%	0.707	S	S	*	*			trans	-60.5	90.4	164.4	0	0	0	0	0	108.9	Y52	Y52-G54 PolarHBondContact O-N 3.48Å
55	H	49.3	Very low	57.9	Low	166 Å²	166	123.1 Å²	123.1	77%	0.769	71%	0.714	S	S	*	*			trans	-118.3	91.8	173	-166.2	32.1	0	0	0	109.2	S53 G57	S53-H55 PolarHBondContact O-N 2.79Å; H55-G57 PolarHBondContact O-N 2.7Å
56	D	47.8	Very low	58	Low	167 Å²	167	128 Å²	128	89%	0.893	73%	0.733	S	S	*	*			trans	-52.9	103.4	158.3	-116.5	-73	0	0	0	108.5
57	G	50.8	Low	58	Low	48 Å²	48	126.4 Å²	126.4	50%	0.495	73%	0.729	S	S	.	*			trans	-170.6	63.2	-175.1	0	0	0	0	0	109.7	H55 P59	H55-G57 PolarHBondContact O-N 2.7Å; G57-P59 WeakPolarHBondContact O-CD 3.22Å; G57-P59 VanDerWaalsContact O-N 3.14Å
58	S	60.6	Low	58.1	Low	114 Å²	114	130 Å²	130	80%	0.797	74%	0.738	S	S	*	*			trans	-46.1	118.7	172.5	176.6	0	0	0	0	109.8	E60	S58-E60 PolarHBondContact O-N 2.88Å
59	P	60.3	Low	58.3	Low	117 Å²	117	135.1 Å²	135.1	76%	0.76	75%	0.749	S	S	*	*			trans	-71.3	104.5	-177.1	27.2	-32.3	0	0	0	109	G57 M61	G57-P59 WeakPolarHBondContact O-CD 3.22Å; G57-P59 VanDerWaalsContact O-N 3.14Å; P59-M61 PolarHBondContact O-N 3.29Å
60	E	62	Low	58.5	Low	195 Å²	195	142 Å²	142	91%	0.911	76%	0.764	S	S	*	*			trans	-60.5	109.5	168.4	-167.6	162.5	116.5	0	0	108	S58 Q62	S58-E60 PolarHBondContact O-N 2.88Å; E60-Q62 PolarHBondContact O-N 3.44Å
61	M	58.8	Low	58.8	Low	175 Å²	175	144.3 Å²	144.3	86%	0.862	78%	0.775	S	S	*	*			trans	-66.4	96.1	-171.9	-179.5	125.1	65.8	0	0	110.2	P59	P59-M61 PolarHBondContact O-N 3.29Å
62	Q	63.6	Low	59.1	Low	179 Å²	179	145.3 Å²	145.3	84%	0.836	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-70.1	124.2	170.2	-167.5	178	65.3	0	0	109.1	E60 A64	E60-Q62 PolarHBondContact O-N 3.44Å; Q62-A64 PolarHBondContact O-N 3.22Å
63	P	57.5	Low	59.7	Low	114 Å²	114	143.8 Å²	143.8	74%	0.74	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-63.7	127	-173.6	22.6	-31.5	0	0	0	111.1
64	A	62.9	Low	60.1	Low	87 Å²	87	145.6 Å²	145.6	72%	0.719	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-60.3	127.6	-170.5	0	0	0	0	0	112.1	Q62 Q66	Q62-A64 PolarHBondContact O-N 3.22Å; A64-Q66 PolarHBondContact O-N 3.31Å
65	P	59	Low	60.4	Low	110 Å²	110	145.9 Å²	145.9	71%	0.714	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-64.1	121.7	174.6	20.5	-28.2	0	0	0	110.6	N67	P65-N67 PolarHBondContact O-N 2.81Å
66	Q	61.3	Low	60.7	Low	194 Å²	194	145.2 Å²	145.2	91%	0.907	78%	0.781	S	S	*	*			trans	-61.8	72.9	177	-69.6	179.4	-35.3	0	0	111.7	A64	A64-Q66 PolarHBondContact O-N 3.31Å
67	N	58	Low	61.1	Low	85 Å²	85	141 Å²	141	46%	0.455	78%	0.776	S	S	.	*			trans	-80.8	126.5	165.7	61	38.8	0	0	0	108.9	P65 R69 R70	P65-N67 PolarHBondContact O-N 2.81Å; N67-R69 PolarHBondContact O-N 2.69Å; N67-R70 WeakPolarHBondContact ND2-CD 3.47Å; N67-R70 WeakPolarHBondContact OD1-CB 3.37Å; N67-R70 VanDerWaalsContact OD1-CD 3.27Å; N67-R70 WeakPolarHBondContact OD1-CD 3.21Å; N67-R70 WeakPolarHBondContact OD1-CG 3.34Å
68	K	65.7	Low	61.4	Low	210 Å²	210	150.7 Å²	150.7	91%	0.913	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	21.9	-174.3	-63.9	-177.5	176.5	-178.9	0	113.9
69	R	62.2	Low	61.6	Low	232 Å²	232	155.5 Å²	155.5	88%	0.875	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.1	31.8	-171.9	-61.7	-170.5	-175	167.5	2.6	113.9	N67	N67-R69 PolarHBondContact O-N 2.69Å
70	R	64.2	Low	61.6	Low	201 Å²	201	158 Å²	158	76%	0.758	80%	0.802	S	S	*	*			trans	-117.7	109.6	166.8	-72.1	-176.4	80.7	-165.6	4	109.5	N67 S72	N67-R70 WeakPolarHBondContact ND2-CD 3.47Å; N67-R70 WeakPolarHBondContact OD1-CB 3.37Å; N67-R70 VanDerWaalsContact OD1-CD 3.27Å; N67-R70 WeakPolarHBondContact OD1-CD 3.21Å; N67-R70 WeakPolarHBondContact OD1-CG 3.34Å; R70-S72 PolarHBondContact O-N 3.45Å
71	L	65.2	Low	61.5	Low	177 Å²	177	150.6 Å²	150.6	93%	0.927	78%	0.777	S	S	*	*			trans	-55.2	106.1	169.3	-60.9	169.1	0	0	0	106.8	L73	L71-L73 PolarHBondContact O-N 2.86Å
72	S	65.7	Low	61.4	Low	98 Å²	98	147.2 Å²	147.2	69%	0.685	77%	0.771	S	S	*	*			trans	-65	122	170.3	49.4	0	0	0	0	107.5	R70 V74	R70-S72 PolarHBondContact O-N 3.45Å; S72-V74 PolarHBondContact O-N 3.48Å
73	L	67.7	Low	61.2	Low	178 Å²	178	146.6 Å²	146.6	93%	0.932	77%	0.771	S	S	*	*			trans	-71.7	85	172.7	-159.5	78.5	0	0	0	107.6	L71	L71-L73 PolarHBondContact O-N 2.86Å
74	V	67.2	Low	61	Low	127 Å²	127	146.5 Å²	146.5	77%	0.77	77%	0.774	S	S	*	*			trans	-80.4	117.1	172.6	-168.4	0	0	0	0	106.7	S72	S72-V74 PolarHBondContact O-N 3.48Å
75	S	58.4	Low	61	Low	90 Å²	90	150 Å²	150	63%	0.629	78%	0.78	S	S	*	*			trans	-86.5	164.9	-174.9	78	0	0	0	0	113.3
76	N	56.1	Low	60.4	Low	152 Å²	152	153.1 Å²	153.1	81%	0.813	79%	0.785	S	S	*	*			trans	78	58.5	156	-67.8	14.2	0	0	0	118.9
77	G	56.4	Low	59.6	Low	77 Å²	77	147.5 Å²	147.5	79%	0.794	77%	0.772	S	S	*	*			trans	-88.4	110.6	154.4	0	0	0	0	0	110.7	Y79	G77-Y79 PolarHBondContact O-N 3.35Å; G77-Y79 VanDerWaalsContact O-N 3.16Å
78	R	57.2	Low	59.2	Low	253 Å²	253	150.5 Å²	150.5	96%	0.955	79%	0.793	S	S	*	*			trans	-67.8	105.4	168.5	-57.2	-167.4	-117.1	-161.5	0.7	107.7	E80	R78-E80 PolarHBondContact O-N 2.87Å
79	Y	63.2	Low	58	Low	214 Å²	214	146.5 Å²	146.5	84%	0.839	79%	0.792	S	S	*	*			trans	-88.6	98.5	177.2	-169.8	-100.8	0	0	0	109	G77	G77-Y79 PolarHBondContact O-N 3.35Å; G77-Y79 VanDerWaalsContact O-N 3.16Å
80	E	60.6	Low	57	Low	171 Å²	171	138.2 Å²	138.2	80%	0.799	78%	0.779	S	S	*	*			trans	-100.4	106.6	167.3	-140.4	-85	168.4	0	0	104.8	R78	R78-E80 PolarHBondContact O-N 2.87Å
81	G	60.4	Low	55.9	Low	39 Å²	39	138.2 Å²	138.2	40%	0.402	78%	0.784	S	S	.	*			trans	-153.9	64.7	-168	0	0	0	0	0	109.2	I83	G81-I83 PolarHBondContact O-N 2.87Å
82	S	56.4	Low	55	Low	103 Å²	103	135.8 Å²	135.8	72%	0.72	78%	0.779	S	S	*	*			trans	-56.2	118.5	175.2	-69.4	0	0	0	0	110.3	S84	S82-S84 PolarHBondContact O-N 3.47Å
83	I	59.9	Low	54.2	Low	166 Å²	166	135.6 Å²	135.6	85%	0.851	78%	0.783	S	S	*	*			trans	-69.1	116.2	166.8	50.4	172.7	0	0	0	107.8	G81 D85	G81-I83 PolarHBondContact O-N 2.87Å; I83-D85 PolarHBondContact O-N 3.14Å
84	S	54	Low	53.2	Low	113 Å²	113	135.4 Å²	135.4	79%	0.79	78%	0.781	S	S	*	*			trans	-71.9	107	176.6	52.3	0	0	0	0	109.5	S82 E86	S82-S84 PolarHBondContact O-N 3.47Å; S84-E86 PolarHBondContact O-N 3.4Å
85	D	62	Low	52.7	Low	160 Å²	160	136 Å²	136	86%	0.856	78%	0.776	S	S	*	*			trans	-80.5	103	168.9	-164	-105.7	0	0	0	108.4	I83 A87	I83-D85 PolarHBondContact O-N 3.14Å; D85-A87 PolarHBondContact O-N 3.11Å
86	E	47.2	Very low	52.7	Low	175 Å²	175	134 Å²	134	82%	0.818	77%	0.77	S	S	*	*			trans	-79.1	102.7	177.3	-106.8	-88	89.5	0	0	109.9	S84	S84-E86 PolarHBondContact O-N 3.4Å
87	A	44.7	Very low	53.6	Low	77 Å²	77	133.5 Å²	133.5	64%	0.636	78%	0.775	S	S	*	*			trans	50.1	91.5	137.1	0	0	0	0	0	118.8	D85	D85-A87 PolarHBondContact O-N 3.11Å
88	V	47.9	Very low	54.3	Low	148 Å²	148	134.9 Å²	134.9	90%	0.897	76%	0.76	S	S	*	*			trans	-119.9	104.3	134.9	66	0	0	0	0	109.7
89	S	41.1	Very low	55	Low	126 Å²	126	128.1 Å²	128.1	88%	0.881	75%	0.749	S	S	*	*			trans	-57.6	121.8	-173.2	158.1	0	0	0	0	114
90	G	40.6	Very low	55.7	Low	58 Å²	58	124.1 Å²	124.1	60%	0.598	74%	0.738	S	S	*	*			trans	-169.7	39.6	-179.6	0	0	0	0	0	119.6
91	K	42.3	Very low	56.5	Low	200 Å²	200	122.4 Å²	122.4	87%	0.87	74%	0.739	S	S	*	*			trans	65.1	134.1	169.8	-55	93.2	161.1	-164.8	0	117.9
92	P	46.2	Very low	57.2	Low	127 Å²	127	129.8 Å²	129.8	83%	0.825	76%	0.756	S	S	*	*			trans	-96.7	119.7	-172.7	36.2	-27.7	0	0	0	111.8
93	A	48.8	Very low	58.3	Low	93 Å²	93	131.1 Å²	131.1	77%	0.769	76%	0.76	S	S	*	*			trans	-111.7	117.8	155.6	0	0	0	0	0	106.5	E95	A93-E95 VanDerWaalsContact C-N 3.27Å; A93-E95 PolarHBondContact O-N 2.94Å
94	I	47.3	Very low	58.8	Low	174 Å²	174	130.8 Å²	130.8	89%	0.892	76%	0.758	S	S	*	*			trans	-65.8	88.7	177.7	-60.6	160.7	0	0	0	106.9
95	E	55.6	Low	59.9	Low	140 Å²	140	129.6 Å²	129.6	65%	0.654	75%	0.75	S	S	*	*			trans	-118.2	125.1	165.6	-173.6	66.7	-164.4	0	0	105.7	A93 Q98	A93-E95 VanDerWaalsContact C-N 3.27Å; A93-E95 PolarHBondContact O-N 2.94Å; E95-Q98 HydrophobicContact CG-CG 4.13Å
96	G	59.1	Low	60.6	Low	49 Å²	49	133.7 Å²	133.7	51%	0.505	75%	0.753	S	S	.	*			trans	-58	179.4	-178	0	0	0	0	0	112.4	Q98	G96-Q98 PolarHBondContact O-N 3.4Å
97	P	73.9	Confident	61.9	Low	141 Å²	141	132.8 Å²	132.8	92%	0.916	75%	0.749	S	S	*	*			trans	-66	78.7	-178.3	-8.4	22.3	0	0	0	110.5	P99	P97-P99 WeakPolarHBondContact O-CD 3.36Å
98	Q	71.7	Confident	62.9	Low	106 Å²	106	133.7 Å²	133.7	50%	0.495	75%	0.748	S	S	.	*			trans	-65.3	125.8	173.4	-94.5	-80.1	14.7	0	0	106.8	E95 G96 H100	E95-Q98 HydrophobicContact CG-CG 4.13Å; G96-Q98 PolarHBondContact O-N 3.4Å; Q98-H100 PolarHBondContact O-CE1 2.96Å; Q98-H100 PolarHBondContact O-N 2.88Å; Q98-H100 PolarHBondContact O-ND1 3.13Å
99	P	72.9	Confident	63.8	Low	111 Å²	111	130.6 Å²	130.6	72%	0.721	74%	0.738	S	S	*	*			trans	-62.9	104.3	171.1	23.5	-31.5	0	0	0	109.1	P97	P97-P99 WeakPolarHBondContact O-CD 3.36Å
100	H	76.9	Confident	65	Low	129 Å²	129	132.1 Å²	132.1	60%	0.597	74%	0.736	S	S	*	*			trans	-80.8	120.2	175.3	-68.9	72.8	0	0	0	108.8	Q98 Y102	Q98-H100 PolarHBondContact O-CE1 2.96Å; Q98-H100 PolarHBondContact O-N 2.88Å; Q98-H100 PolarHBondContact O-ND1 3.13Å; H100-Y102 HydrophobicContact CB-CD2 4.26Å; H100-Y102 HydrophobicContact CB-CE1 4.4Å; H100-Y102 HydrophobicContact CB-CE2 3.56Å; H100-Y102 WeakPolarHBondContact O-CD2 3.45Å; H100-Y102 PolarHBondContact O-N 3.37Å
101	V	77.6	Confident	66.2	Low	136 Å²	136	136.2 Å²	136.2	82%	0.824	74%	0.743	S	S	*	*			trans	-81.2	105.9	171.5	178.9	0	0	0	0	107.8
102	Y	75.7	Confident	67	Low	194 Å²	194	132.4 Å²	132.4	76%	0.761	74%	0.739	S	S	*	*			trans	-87.7	119.9	173.5	-61.1	-84.5	0	0	0	109.8	H100	H100-Y102 HydrophobicContact CB-CD2 4.26Å; H100-Y102 HydrophobicContact CB-CE1 4.4Å; H100-Y102 HydrophobicContact CB-CE2 3.56Å; H100-Y102 WeakPolarHBondContact O-CD2 3.45Å; H100-Y102 PolarHBondContact O-N 3.37Å
103	T	79	Confident	67.3	Low	130 Å²	130	130 Å²	130	80%	0.798	74%	0.737	S	S	*	*			trans	-82.9	117.6	173.4	-48.5	0	0	0	0	109.4	S105	T103-S105 PolarHBondContact O-N 2.84Å
104	I	71.2	Confident	67.9	Low	160 Å²	160	130.8 Å²	130.8	82%	0.821	74%	0.737	S	S	*	*			trans	-73.5	97.1	173.3	-54.6	168	0	0	0	107.4
105	S	75.8	Confident	68.5	Low	87 Å²	87	130.8 Å²	130.8	61%	0.608	73%	0.733	S	S	*	*			trans	-67.4	136.9	170	78.7	0	0	0	0	108.7	T103 E107	T103-S105 PolarHBondContact O-N 2.84Å; S105-E107 PolarHBondContact O-N 3.15Å
106	R	77	Confident	68.6	Low	247 Å²	247	128.5 Å²	128.5	93%	0.932	74%	0.738	S	S	*	*	S	Bend	trans	-78.7	-1	178.5	-64.6	-173.9	-178.2	-170.8	1.7	112.8	P108	R106-P108 WeakPolarHBondContact O-CD 3.31Å
107	E	74.4	Confident	68.9	Low	156 Å²	156	134.1 Å²	134.1	73%	0.729	75%	0.751	S	S	*	*	S	Bend	trans	-79.3	117.7	180	-170.4	170.6	172.9	0	0	107.9	S105 A109	S105-E107 PolarHBondContact O-N 3.15Å; E107-A109 PolarHBondContact O-N 2.97Å
108	P	66.5	Low	68.5	Low	96 Å²	96	131.6 Å²	131.6	62%	0.623	74%	0.742	S	S	*	*			trans	-61.9	110.8	175.4	22.9	-26.4	0	0	0	106.6	R106 L110	R106-P108 WeakPolarHBondContact O-CD 3.31Å; P108-L110 PolarHBondContact O-N 2.82Å
109	A	67.1	Low	68.4	Low	82 Å²	82	133.6 Å²	133.6	68%	0.678	75%	0.754	S	S	*	*			trans	-57.4	99	167	0	0	0	0	0	106	E107 L111	E107-A109 PolarHBondContact O-N 2.97Å; A109-L111 HydrophobicContact CB-CD2 4.4Å; A109-L111 HydrophobicContact CB-CG 4.19Å; A109-L111 PolarHBondContact O-N 3.05Å
110	L	65	Low	68.5	Low	159 Å²	159	137.2 Å²	137.2	83%	0.832	76%	0.762	S	S	*	*			trans	-69.9	69.3	169.8	-62.4	175.8	0	0	0	106.2	P108	P108-L110 PolarHBondContact O-N 2.82Å
111	L	66.4	Low	68.4	Low	143 Å²	143	138.4 Å²	138.4	75%	0.749	77%	0.772	S	S	*	*			trans	-59.5	132.5	170.3	-65.6	179.9	0	0	0	106.7	A109 G113	A109-L111 HydrophobicContact CB-CD2 4.4Å; A109-L111 HydrophobicContact CB-CG 4.19Å; A109-L111 PolarHBondContact O-N 3.05Å; L111-G113 PolarHBondContact O-N 3.03Å
112	P	59.3	Low	68.2	Low	121 Å²	121	136.3 Å²	136.3	79%	0.786	77%	0.768	S	S	*	*			trans	-57.7	132.4	-168.3	22.4	-32	0	0	0	109.4	S114	P112-S114 PolarHBondContact O-N 3.49Å
113	G	53.1	Low	68.3	Low	76 Å²	76	133.5 Å²	133.5	78%	0.784	77%	0.771	S	S	*	*			trans	-45.1	112.6	-173.7	0	0	0	0	0	110.9	L111 E115	L111-G113 PolarHBondContact O-N 3.03Å; G113-E115 PolarHBondContact O-N 2.94Å
114	S	60.7	Low	68	Low	110 Å²	110	133.9 Å²	133.9	77%	0.769	77%	0.773	S	S	*	*			trans	-54.6	127.2	156.3	42.3	0	0	0	0	105.7	P112 A116	P112-S114 PolarHBondContact O-N 3.49Å; S114-A116 PolarHBondContact O-N 3.28Å
115	E	58.8	Low	68.1	Low	174 Å²	174	135.4 Å²	135.4	81%	0.813	77%	0.774	S	S	*	*			trans	-50.7	92	172.4	67	-156.6	169.1	0	0	107.8	G113 E117	G113-E115 PolarHBondContact O-N 2.94Å; E115-E117 PolarHBondContact O-N 3.33Å
116	A	59.3	Low	67.2	Low	91 Å²	91	134.3 Å²	134.3	75%	0.752	78%	0.776	S	S	*	*			trans	-74.8	85	176.1	0	0	0	0	0	104.9	S114 A118	S114-A116 PolarHBondContact O-N 3.28Å; A116-A118 VanDerWaalsContact C-N 3.27Å; A116-A118 PolarHBondContact O-N 2.9Å
117	E	64.2	Low	66.1	Low	168 Å²	168	134.3 Å²	134.3	79%	0.785	78%	0.776	S	S	*	*			trans	-51.4	99.1	162.6	38.6	-172.4	144.8	0	0	107.3	E115 I119	E115-E117 PolarHBondContact O-N 3.33Å; E117-I119 PolarHBondContact O-N 3.44Å
118	A	66.2	Low	65.2	Low	87 Å²	87	138.4 Å²	138.4	72%	0.719	79%	0.785	S	S	*	*			trans	-65.3	109.4	-176.3	0	0	0	0	0	107.9	A116 E120	A116-A118 VanDerWaalsContact C-N 3.27Å; A116-A118 PolarHBondContact O-N 2.9Å; A118-E120 PolarHBondContact O-N 3.37Å
119	I	70.1	Confident	64.2	Low	148 Å²	148	142.7 Å²	142.7	76%	0.759	80%	0.797	S	S	*	*			trans	-69.7	99.7	175.4	-57.8	170.1	0	0	0	107.4	E117 L121	E117-I119 PolarHBondContact O-N 3.44Å; I119-L121 HydrophobicContact CG2-CD2 4.07Å; I119-L121 PolarHBondContact O-N 3.23Å; I119-L121 VanDerWaalsContact O-N 3.09Å
120	E	74.9	Confident	63	Low	187 Å²	187	150.5 Å²	150.5	87%	0.874	81%	0.808	S	S	*	*			trans	-67.8	103.3	174.7	-67.4	-166.3	99.3	0	0	110.1	A118 A122	A118-E120 PolarHBondContact O-N 3.37Å; E120-A122 PolarHBondContact O-N 3.01Å
121	L	73.8	Confident	62.1	Low	155 Å²	155	152 Å²	152	81%	0.812	81%	0.811	S	S	*	*			trans	-80	101.1	176.5	-62.4	175.1	0	0	0	110.1	I119	I119-L121 HydrophobicContact CG2-CD2 4.07Å; I119-L121 PolarHBondContact O-N 3.23Å; I119-L121 VanDerWaalsContact O-N 3.09Å
122	A	73.5	Confident	60.8	Low	91 Å²	91	156 Å²	156	75%	0.752	82%	0.816	S	S	*	*			trans	-75.2	125.1	173.3	0	0	0	0	0	111.6	E120 V124	E120-A122 PolarHBondContact O-N 3.01Å; A122-V124 PolarHBondContact O-N 3.32Å; A122-V124 VanDerWaalsContact O-N 3.16Å
123	V	78.3	Confident	60.1	Low	135 Å²	135	158.4 Å²	158.4	82%	0.818	82%	0.817	S	S	*	*			trans	-74.1	103.7	173.7	178.6	0	0	0	0	109.5	K125	V123-K125 PolarHBondContact O-N 2.85Å
124	V	72.8	Confident	59.7	Low	138 Å²	138	159 Å²	159	84%	0.836	81%	0.807	S	S	*	*			trans	-73.2	97	173.2	-179.2	0	0	0	0	109.3	A122 G126	A122-V124 PolarHBondContact O-N 3.32Å; A122-V124 VanDerWaalsContact O-N 3.16Å; V124-G126 PolarHBondContact O-N 2.92Å; V124-G126 VanDerWaalsContact O-N 3.13Å
125	K	72.5	Confident	59	Low	192 Å²	192	162.2 Å²	162.2	84%	0.835	81%	0.809	S	S	*	*			trans	-69.8	105.4	175.1	-166	103.1	173.7	-171.1	0	109.8	V123	V123-K125 PolarHBondContact O-N 2.85Å
126	G	58.4	Low	58.2	Low	64 Å²	64	162 Å²	162	66%	0.66	81%	0.808	S	S	*	*			trans	-65.1	132.6	174.7	0	0	0	0	0	112.5	V124 R128	V124-G126 PolarHBondContact O-N 2.92Å; V124-G126 VanDerWaalsContact O-N 3.13Å; G126-R128 PolarHBondContact O-N 3.43Å
127	R	52	Low	57.6	Low	247 Å²	247	166.8 Å²	166.8	93%	0.932	81%	0.814	S	S	*	*			trans	-76.4	105	175.8	-55.9	-177	-171.3	-129.1	1.6	109.2
128	R	56.1	Low	56.6	Low	243 Å²	243	163.9 Å²	163.9	92%	0.917	81%	0.813	S	S	*	*			trans	-120.6	126.4	164.9	-67.2	-81.6	-178	-179.2	-3.1	107.6	G126	G126-R128 PolarHBondContact O-N 3.43Å
129	Q	45.3	Very low	55.5	Low	186 Å²	186	167.8 Å²	167.8	87%	0.869	82%	0.816	S	S	*	*			trans	-67.8	139.1	-168.9	-66.9	169.6	-12.8	0	0	111.1	E131	Q129-E131 PolarHBondContact O-N 3.18Å
130	R	41.9	Very low	54.4	Low	245 Å²	245	165.7 Å²	165.7	93%	0.925	81%	0.812	S	S	*	*			trans	19.3	97.9	140.7	-62.2	177.1	171.9	176.9	-3	115.6
131	E	45.9	Very low	52.9	Low	191 Å²	191	164.8 Å²	164.8	89%	0.893	81%	0.812	S	S	*	*			trans	-141.7	119	144.5	-155.1	140.6	-151.6	0	0	108.2	Q129	Q129-E131 PolarHBondContact O-N 3.18Å
132	R	39.9	Very low	51.3	Low	227 Å²	227	168.4 Å²	168.4	86%	0.857	82%	0.815	S	S	*	*			trans	-75.3	125.9	-172.6	-64.8	-174.1	171.6	-178.6	-1.7	108.6
133	H	43.9	Very low	49.7	Very low	171 Å²	171	168.3 Å²	168.3	79%	0.792	82%	0.815	S	S	*	*			trans	-155.4	112.5	141.8	-100	-69.9	0	0	0	109.4
134	P	46.1	Very low	47.8	Very low	90 Å²	90	167.7 Å²	167.7	58%	0.584	82%	0.816	S	S	*	*			trans	-89.1	112.2	177.2	31.8	-25.7	0	0	0	109.6
135	H	46.1	Very low	46.6	Very low	176 Å²	176	167 Å²	167	82%	0.815	82%	0.815	S	S	*	*			trans	-130	108.8	157	-74.1	-62.3	0	0	0	109
136	H	40.3	Very low	44.9	Very low	170 Å²	170	161 Å²	161	79%	0.787	81%	0.807	S	S	*	*			trans	-73	117.8	-176.7	-63.3	-90.4	0	0	0	110.6
137	H	46.9	Very low	44.1	Very low	191 Å²	191	164.2 Å²	164.2	88%	0.884	82%	0.82	S	S	*	*			trans	-155.1	78.5	139.1	-144.3	39.7	0	0	0	110.2	Q139	H137-Q139 PolarHBondContact O-N 2.87Å
138	S	44.2	Very low	43.8	Very low	107 Å²	107	157.3 Å²	157.3	75%	0.748	81%	0.81	S	S	*	*			trans	-78.9	102.1	172	48.9	0	0	0	0	109.6
139	Q	43.4	Very low	43.3	Very low	169 Å²	169	156.5 Å²	156.5	79%	0.79	81%	0.806	S	S	*	*			trans	-77.4	122.8	161.7	-168.7	175.8	26.1	0	0	108.2	H137 L141	H137-Q139 PolarHBondContact O-N 2.87Å; Q139-L141 PolarHBondContact O-N 3.36Å; Q139-L141 VanDerWaalsContact O-N 3.1Å
140	P	45.3	Very low	43.4	Very low	105 Å²	105	153.8 Å²	153.8	68%	0.682	79%	0.794	S	S	*	*			trans	-71.4	107.3	-178.7	-16.4	30.4	0	0	0	110.8	R142	P140-R142 VanDerWaalsContact C-N 3.32Å; P140-R142 PolarHBondContact O-N 3.32Å
141	L	44.3	Very low	43.7	Very low	167 Å²	167	148.3 Å²	148.3	87%	0.874	78%	0.783	S	S	*	*			trans	-69	93.8	161.9	-66.2	171.1	0	0	0	107.2	Q139 A143	Q139-L141 PolarHBondContact O-N 3.36Å; Q139-L141 VanDerWaalsContact O-N 3.1Å; L141-A143 PolarHBondContact O-N 3.18Å; L141-A143 VanDerWaalsContact O-N 3.11Å
142	R	39.4	Very low	44.2	Very low	231 Å²	231	147.8 Å²	147.8	87%	0.872	78%	0.784	S	S	*	*			trans	-63.6	111.7	168.5	-78	-79	161.8	113.2	-5	107.4	P140	P140-R142 VanDerWaalsContact C-N 3.32Å; P140-R142 PolarHBondContact O-N 3.32Å
143	A	40.5	Very low	44.9	Very low	90 Å²	90	141.7 Å²	141.7	74%	0.744	78%	0.777	S	S	*	*			trans	-54.8	142.9	169.9	0	0	0	0	0	110.7	L141	L141-A143 PolarHBondContact O-N 3.18Å; L141-A143 VanDerWaalsContact O-N 3.11Å
144	S	37.8	Very low	45.4	Very low	121 Å²	121	143.6 Å²	143.6	85%	0.846	78%	0.777	S	S	*	*			trans	-49.6	141.5	177.3	-47.5	0	0	0	0	113.8
145	P	48.6	Very low	45.6	Very low	124 Å²	124	144.6 Å²	144.6	81%	0.805	78%	0.783	S	S	*	*			trans	-133.1	126.6	138.2	32.7	-17.5	0	0	0	111
146	G	36.5	Very low	45.7	Very low	66 Å²	66	142.2 Å²	142.2	68%	0.68	79%	0.785	S	S	*	*			trans	98.6	99	154.4	0	0	0	0	0	116.2	S148	G146-S148 PolarHBondContact O-N 3Å
147	S	41.8	Very low	46.6	Very low	131 Å²	131	142.4 Å²	142.4	92%	0.916	79%	0.786	S	S	*	*				9.5	97.4	125.9	178	0	0	0	0	115.4
148	S	45.5	Very low	46.7	Very low	103 Å²	103	137.7 Å²	137.7	72%	0.72	78%	0.775	S	S	*	*			trans	-131.5	129.6	158.2	-171.4	0	0	0	0	108	G146 E150	G146-S148 PolarHBondContact O-N 3Å; S148-E150 VanDerWaalsContact C-N 3.32Å; S148-E150 PolarHBondContact O-N 2.98Å
149	R	46.3	Very low	47.2	Very low	226 Å²	226	145.1 Å²	145.1	85%	0.853	79%	0.786	S	S	*	*			trans	-86.6	8	-159.3	162.1	-172.4	171.8	175.9	-0.9	111.7
150	E	47.6	Very low	47.5	Very low	128 Å²	128	141.3 Å²	141.3	60%	0.598	78%	0.784	S	S	*	*			trans	-140.9	103.4	-167.5	-60.5	78	-165.3	0	0	112.1	S148	S148-E150 VanDerWaalsContact C-N 3.32Å; S148-E150 PolarHBondContact O-N 2.98Å
151	D	47.8	Very low	47.5	Very low	130 Å²	130	139.2 Å²	139.2	70%	0.695	78%	0.782	S	S	*	*			trans	-169.3	82.7	135.5	-130.7	-23.2	0	0	0	112.6	S153	D151-S153 PolarHBondContact O-N 3.13Å
152	I	57.2	Low	47.9	Very low	181 Å²	181	137.2 Å²	137.2	93%	0.928	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	5.9	169.3	-54.2	158	0	0	0	110.2
153	S	53	Low	48.6	Very low	99 Å²	99	137.2 Å²	137.2	69%	0.692	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	6.9	-175.5	-61.2	0	0	0	0	114.1	D151 P155	D151-S153 PolarHBondContact O-N 3.13Å; S153-P155 WeakPolarHBondContact O-CD 3.31Å
154	R	54.8	Low	48.9	Very low	210 Å²	210	141.6 Å²	141.6	79%	0.792	79%	0.787	S	S	*	*			trans	-79.4	108.1	176.8	-158.6	175.3	-157.9	-151.8	4.5	109.9	C156	R154-C156 PolarHBondContact O-N 3.44Å; R154-C156 VanDerWaalsContact O-N 3.15Å
155	P	50.6	Low	49.2	Very low	112 Å²	112	139.1 Å²	139.1	73%	0.727	78%	0.781	S	S	*	*			trans	-65.5	123	177.6	-14.9	32.4	0	0	0	107.9	S153 Q157	S153-P155 WeakPolarHBondContact O-CD 3.31Å; P155-Q157 PolarHBondContact O-N 3.16Å
156	C	49.1	Very low	49.3	Very low	125 Å²	125	139 Å²	139	85%	0.845	78%	0.782	S	S	*	*			trans	-49.4	116.2	170.9	-72.1	0	0	0	0	108.8	R154 S158	R154-C156 PolarHBondContact O-N 3.44Å; R154-C156 VanDerWaalsContact O-N 3.15Å; C156-S158 PolarHBondContact O-N 3.29Å
157	Q	58.2	Low	50.1	Low	174 Å²	174	144.6 Å²	144.6	81%	0.813	79%	0.788	S	S	*	*			trans	-59.3	104.4	172.7	-73.1	-171	14.4	0	0	108.1	P155	P155-Q157 PolarHBondContact O-N 3.16Å
158	S	48.8	Very low	50.7	Low	93 Å²	93	146.3 Å²	146.3	65%	0.65	78%	0.782	S	S	*	*			trans	-59.9	140.8	-176.9	65.5	0	0	0	0	110.8	C156 A160	C156-S158 PolarHBondContact O-N 3.29Å; S158-A160 PolarHBondContact O-N 3.21Å
159	W	54.2	Low	51.4	Low	262 Å²	262	144.6 Å²	144.6	99%	0.992	77%	0.769	S	S	*	*	S	Bend	trans	-69.5	22.4	178.6	-52.1	-27.4	0	0	0	114.7	G161	W159-G161 PolarHBondContact O-N 2.95Å
160	A	50.7	Low	52.1	Low	89 Å²	89	139.6 Å²	139.6	74%	0.736	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	84.6	175	0	0	0	0	0	109.3	S158	S158-A160 PolarHBondContact O-N 3.21Å
161	G	45.3	Very low	52.3	Low	62 Å²	62	136.8 Å²	136.8	64%	0.639	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	175.5	-6.4	176.7	0	0	0	0	0	118.6	W159 R163	W159-G161 PolarHBondContact O-N 2.95Å; G161-R163 PolarHBondContact O-N 3.09Å
162	S	52.5	Low	52.7	Low	124 Å²	124	135.5 Å²	135.5	87%	0.867	77%	0.771	S	S	*	*			trans	-78.3	51.8	173.1	-170.2	0	0	0	0	111.9
163	R	53.3	Low	52.6	Low	232 Å²	232	131.2 Å²	131.2	88%	0.875	76%	0.762	S	S	*	*			trans	-130.6	50.7	166.6	-65.2	-172.3	-174.9	-81.1	1.1	108.8	G161	G161-R163 PolarHBondContact O-N 3.09Å
164	Q	47.8	Very low	52.4	Low	181 Å²	181	135 Å²	135	85%	0.846	77%	0.77	S	S	*	*	S	Bend	trans	-143.9	101.6	167.8	-157.8	70	50.5	0	0	110.1
165	G	43.2	Very low	51.9	Low	70 Å²	70	133 Å²	133	72%	0.722	77%	0.773	S	S	*	*			trans	65.9	64.3	144.5	0	0	0	0	0	117.7	K167	G165-K167 VanDerWaalsContact C-N 3.3Å; G165-K167 PolarHBondContact O-N 3.24Å
166	S	50.3	Low	51.3	Low	120 Å²	120	133.4 Å²	133.4	84%	0.839	77%	0.773	S	S	*	*			trans	-82.3	92.5	144.9	-169.3	0	0	0	0	107.3	E168	S166-E168 PolarHBondContact O-N 3.46Å
167	K	53.6	Low	51.1	Low	185 Å²	185	133.8 Å²	133.8	80%	0.804	78%	0.775	S	S	*	*			trans	-44.1	132.7	163.3	55.3	171.1	-172.2	-72.7	0	109.6	G165	G165-K167 VanDerWaalsContact C-N 3.3Å; G165-K167 PolarHBondContact O-N 3.24Å
168	E	54.1	Low	50.1	Low	167 Å²	167	128.5 Å²	128.5	78%	0.78	77%	0.767	S	S	*	*			trans	26.9	102.3	155.6	-146.7	65.9	-163	0	0	116.4	S166 P170	S166-E168 PolarHBondContact O-N 3.46Å; E168-P170 WeakPolarHBondContact O-CD 3.15Å
169	C	60.4	Low	49.9	Very low	66 Å²	66	130.1 Å²	130.1	45%	0.446	78%	0.775	S	S	.	*			trans	-87	98.8	161.4	165.2	0	0	0	0	107.8	G171 C172	C169-G171 PolarHBondContact O-N 2.96Å; C169-C172 HydrophobicContact CB-CB 3.87Å; C169-C172 WeakPolarHBondContact CB-SG 3.32Å; C169-C172 PolarHBondContact O-N 2.9Å; C169-C172 VanDerWaalsContact O-N 3.1Å; C169-C172 WeakPolarHBondContact SG-CB 3.47Å; C169-C172 PolarHBondContact SG-N 3.34Å; C169-C172 VanDerWaalsContact SG-N 3.45Å; C169-C172 CovalentContact SG-SG 2.07Å; C169-C172 PolarHBondContact SG-SG 2.98Å
170	P	61.4	Low	49.3	Very low	122 Å²	122	123.4 Å²	123.4	79%	0.792	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-8.6	-178.5	26.7	-34.5	0	0	0	113.4	E168	E168-P170 WeakPolarHBondContact O-CD 3.15Å
171	G	52.5	Low	49.2	Very low	69 Å²	69	124.7 Å²	124.7	71%	0.711	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-5.5	174.9	0	0	0	0	0	114.9	C169	C169-G171 PolarHBondContact O-N 2.96Å
172	C	55.8	Low	49.1	Very low	102 Å²	102	132 Å²	132	69%	0.689	78%	0.78	S	S	*	*	S	Bend	trans	-92.5	-0.2	-170.6	-65.6	0	0	0	0	113.9	C169	C169-C172 HydrophobicContact CB-CB 3.87Å; C169-C172 WeakPolarHBondContact CB-SG 3.32Å; C169-C172 PolarHBondContact O-N 2.9Å; C169-C172 VanDerWaalsContact O-N 3.1Å; C169-C172 WeakPolarHBondContact SG-CB 3.47Å; C169-C172 PolarHBondContact SG-N 3.34Å; C169-C172 VanDerWaalsContact SG-N 3.45Å; C169-C172 CovalentContact SG-SG 2.07Å; C169-C172 PolarHBondContact SG-SG 2.98Å
173	A	56.1	Low	48.6	Very low	91 Å²	91	130.4 Å²	130.4	75%	0.752	78%	0.775	S	S	*	*	S	Bend	trans	-105.3	-2.7	-171.9	0	0	0	0	0	116.3
174	Q	47.9	Very low	47.9	Very low	180 Å²	180	128.1 Å²	128.1	84%	0.841	77%	0.772	S	S	*	*			trans	-125	74.9	-179.6	-84.8	-159.4	71.1	0	0	112.4
175	L	44.2	Very low	47.7	Very low	166 Å²	166	123.2 Å²	123.2	87%	0.869	77%	0.769	S	S	*	*	S	Bend	trans	-140.3	93.5	153.4	-69.7	178	0	0	0	110.7
176	V	37.7	Very low	48	Very low	121 Å²	121	127.4 Å²	127.4	73%	0.733	77%	0.774	S	S	*	*			trans	70.8	114.3	141.8	-172.5	0	0	0	0	117.8	G178	V176-G178 PolarHBondContact O-N 2.88Å; V176-G178 VanDerWaalsContact O-N 3.13Å
177	P	45.9	Very low	47.6	Very low	134 Å²	134	130 Å²	130	87%	0.87	77%	0.773	S	S	*	*			trans	-63.9	110.2	171.4	-16.9	30.2	0	0	0	111.4
178	G	35.9	Very low	47.7	Very low	63 Å²	63	129.4 Å²	129.4	65%	0.649	77%	0.773	S	S	*	*			trans	-78.3	154.5	168.1	0	0	0	0	0	111.8	V176	V176-G178 PolarHBondContact O-N 2.88Å; V176-G178 VanDerWaalsContact O-N 3.13Å
179	P	46.2	Very low	47.3	Very low	126 Å²	126	126.1 Å²	126.1	82%	0.818	77%	0.767	S	S	*	*			trans	-79.8	132.2	-159.9	31.6	-33.9	0	0	0	113.1	S181	P179-S181 PolarHBondContact O-N 2.79Å; P179-S181 VanDerWaalsContact O-N 3.11Å
180	S	41.7	Very low	46.8	Very low	121 Å²	121	128.6 Å²	128.6	85%	0.846	78%	0.782	S	S	*	*			trans	0.3	90.9	156.2	-173.3	0	0	0	0	115.8	R182	S180-R182 PolarHBondContact O-N 3.3Å
181	S	47.8	Very low	46.5	Very low	117 Å²	117	130 Å²	130	82%	0.818	78%	0.781	S	S	*	*			trans	-81.5	95.3	164.9	57.7	0	0	0	0	108.6	P179 A183	P179-S181 PolarHBondContact O-N 2.79Å; P179-S181 VanDerWaalsContact O-N 3.11Å; S181-A183 PolarHBondContact O-N 3.25Å
182	R	42.3	Very low	46.6	Very low	214 Å²	214	132.1 Å²	132.1	81%	0.808	78%	0.783	S	S	*	*			trans	-49.4	120.7	169.7	-172.1	177.1	-169.6	171.9	2.2	109.6	S180 F184	S180-R182 PolarHBondContact O-N 3.3Å; R182-F184 PolarHBondContact O-N 3.11Å
183	A	43.8	Very low	46.3	Very low	92 Å²	92	136.1 Å²	136.1	76%	0.76	79%	0.792	S	S	*	*			trans	-54.4	114.3	-178.7	0	0	0	0	0	111.9	S181	S181-A183 PolarHBondContact O-N 3.25Å
184	F	38	Very low	46.2	Very low	184 Å²	184	136 Å²	136	81%	0.807	79%	0.791	S	S	*	*			trans	-102.3	100.8	151.5	-77.2	-80.8	0	0	0	106.2	R182 L186	R182-F184 PolarHBondContact O-N 3.11Å; F184-L186 PolarHBondContact O-N 3.23Å; F184-L186 VanDerWaalsContact O-N 3.16Å
185	G	42.8	Very low	46.4	Very low	77 Å²	77	132.6 Å²	132.6	79%	0.794	78%	0.784	S	S	*	*			trans	-67.3	105.4	168	0	0	0	0	0	108.4
186	L	49.3	Very low	47	Very low	158 Å²	158	127.4 Å²	127.4	83%	0.827	77%	0.771	S	S	*	*			trans	-106.9	111.8	157.6	-68.4	178.5	0	0	0	106.1	F184 Q188	F184-L186 PolarHBondContact O-N 3.23Å; F184-L186 VanDerWaalsContact O-N 3.16Å; L186-Q188 PolarHBondContact O-N 3.23Å
187	E	42	Very low	48.4	Very low	174 Å²	174	132 Å²	132	81%	0.813	78%	0.775	S	S	*	*			trans	-37.3	120	168.6	-171.9	-138.8	144.6	0	0	110.6	P189	E187-P189 WeakPolarHBondContact O-CD 3.09Å
188	Q	55.5	Low	49.9	Very low	173 Å²	173	134.5 Å²	134.5	81%	0.808	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-79.9	116.9	-179.9	-163.9	-168.8	101.8	0	0	108.1	L186	L186-Q188 PolarHBondContact O-N 3.23Å
189	P	46.4	Very low	52	Low	99 Å²	99	141.4 Å²	141.4	64%	0.643	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-68.1	141.2	175.6	26.8	-32.2	0	0	0	110.1	E187 L191	E187-P189 WeakPolarHBondContact O-CD 3.09Å; P189-L191 PolarHBondContact O-N 3.38Å
190	P	50	Low	53.6	Low	118 Å²	118	145.4 Å²	145.4	77%	0.766	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-65.6	132.8	-175.3	24	-31.7	0	0	0	111.9
191	L	54.7	Low	55.4	Low	150 Å²	150	147.4 Å²	147.4	79%	0.785	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-55.5	124.7	177.2	-175.7	74.4	0	0	0	110.6	P189 E193	P189-L191 PolarHBondContact O-N 3.38Å; L191-E193 PolarHBondContact O-N 3.43Å; L191-E193 VanDerWaalsContact O-N 3.13Å
192	P	54.5	Low	57.1	Low	114 Å²	114	150.1 Å²	150.1	74%	0.74	79%	0.791	S	S	*	*			trans	-71	110.9	175.9	26.7	-31.3	0	0	0	110.2	A194	P192-A194 PolarHBondContact O-N 3.16Å
193	E	50.7	Low	59.2	Low	187 Å²	187	149.4 Å²	149.4	87%	0.874	79%	0.789	S	S	*	*			trans	-66.4	91.7	166.6	-62.8	-167.7	122.4	0	0	109.2	L191 P195	L191-E193 PolarHBondContact O-N 3.43Å; L191-E193 VanDerWaalsContact O-N 3.13Å; E193-P195 WeakPolarHBondContact O-CD 3.25Å
194	A	53.7	Low	61.3	Low	89 Å²	89	154 Å²	154	74%	0.736	80%	0.797	S	S	*	*			trans	-95.5	100.4	168.4	0	0	0	0	0	108.7	P192 G196	P192-A194 PolarHBondContact O-N 3.16Å; A194-G196 PolarHBondContact O-N 3.15Å
195	P	51.1	Low	63.4	Low	107 Å²	107	154.9 Å²	154.9	70%	0.695	80%	0.796	S	S	*	*			trans	-64.9	108	171.4	25.7	-32	0	0	0	108.1	E193 R197	E193-P195 WeakPolarHBondContact O-CD 3.25Å; P195-R197 WeakPolarHBondContact O-CG 3.04Å; P195-R197 PolarHBondContact O-N 3.06Å
196	G	56.6	Low	65.2	Low	58 Å²	58	156.8 Å²	156.8	60%	0.598	80%	0.797	S	S	*	*			trans	-59.3	95.2	179.6	0	0	0	0	0	110.8	A194 H198	A194-G196 PolarHBondContact O-N 3.15Å; G196-H198 PolarHBondContact O-CD2 2.84Å; G196-H198 PolarHBondContact O-N 2.86Å; G196-H198 VanDerWaalsContact O-N 3.11Å; G196-H198 PolarHBondContact O-NE2 3.38Å
197	R	67.8	Low	66.6	Low	218 Å²	218	156.2 Å²	156.2	82%	0.823	80%	0.8	S	S	*	*			trans	-80.3	91.8	171.6	-31.1	-174.9	94.4	-96.3	1.9	106.2	P195 K199	P195-R197 WeakPolarHBondContact O-CG 3.04Å; P195-R197 PolarHBondContact O-N 3.06Å; R197-K199 PolarHBondContact O-N 3.01Å; R197-K199 VanDerWaalsContact O-N 3.14Å
198	H	76.1	Confident	68.4	Low	186 Å²	186	155.4 Å²	155.4	86%	0.861	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-55.7	118.7	177.3	-38.9	-103.9	0	0	0	108.8	G196 K200	G196-H198 PolarHBondContact O-CD2 2.84Å; G196-H198 PolarHBondContact O-N 2.86Å; G196-H198 VanDerWaalsContact O-N 3.11Å; G196-H198 PolarHBondContact O-NE2 3.38Å; H198-K200 PolarHBondContact O-N 3.13Å
199	K	80.6	Confident	69.3	Low	207 Å²	207	150.4 Å²	150.4	90%	0.9	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-78.3	119	177.6	-63.7	179	179.9	-178.5	0	108.4	R197 L201	R197-K199 PolarHBondContact O-N 3.01Å; R197-K199 VanDerWaalsContact O-N 3.14Å; K199-L201 PolarHBondContact O-N 2.83Å
200	K	79.9	Confident	70.4	Confident	210 Å²	210	152.1 Å²	152.1	91%	0.913	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-75.1	116.2	174.6	-168.8	170.5	179.5	-178.7	0	108.3	H198	H198-K200 PolarHBondContact O-N 3.13Å
201	L	80.4	Confident	70.8	Confident	164 Å²	164	151.6 Å²	151.6	86%	0.859	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-72.9	133.2	178.6	-171	68.3	0	0	0	110	K199	K199-L201 PolarHBondContact O-N 2.83Å
202	E	83	Confident	70.6	Confident	173 Å²	173	147.7 Å²	147.7	81%	0.808	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-73.9	143.6	174.7	-173.7	175	154.1	0	0	111
203	R	86.9	Confident	70.4	Confident	199 Å²	199	150.4 Å²	150.4	75%	0.751	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-85.7	118.9	176.8	-60.8	177.4	73.8	84.5	-2.6	108.3
204	M	87.4	Confident	70.5	Confident	188 Å²	188	144.5 Å²	144.5	93%	0.926	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-80	131.5	177.3	-155.1	156.7	-71.4	0	0	110
205	Y	81.5	Confident	70.4	Confident	203 Å²	203	147.9 Å²	147.9	80%	0.796	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-95.3	124.8	176.3	-64.8	-87	0	0	0	109.5
206	S	80.9	Confident	70.3	Confident	117 Å²	117	149.8 Å²	149.8	82%	0.818	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-83.8	131.8	169.1	52	0	0	0	0	109.5
207	V	79.5	Confident	70	Confident	147 Å²	147	156.9 Å²	156.9	89%	0.891	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-79.8	116.4	167	-100.4	0	0	0	0	108.5	G209	V207-G209 PolarHBondContact O-N 3.13Å
208	D	79.8	Confident	68.8	Low	156 Å²	156	149.9 Å²	149.9	83%	0.834	81%	0.81	S	S	*	*			trans	-82.6	101.6	173.4	-163.8	54	0	0	0	108.1	V210	D208-V210 PolarHBondContact O-N 3.11Å; D208-V210 VanDerWaalsContact O-N 3.17Å
209	G	74	Confident	67.7	Low	69 Å²	69	147 Å²	147	71%	0.711	81%	0.808	S	S	*	*			trans	-76.6	97.8	176.1	0	0	0	0	0	109.5	V207 S211	V207-G209 PolarHBondContact O-N 3.13Å; G209-S211 VanDerWaalsContact C-N 3.28Å; G209-S211 PolarHBondContact O-N 3.29Å
210	V	69.1	Low	66.5	Low	134 Å²	134	140.5 Å²	140.5	81%	0.812	80%	0.799	S	S	*	*			trans	-65.7	92.6	163.6	61.6	0	0	0	0	107.8	D208 G212	D208-V210 PolarHBondContact O-N 3.11Å; D208-V210 VanDerWaalsContact O-N 3.17Å; V210-G212 PolarHBondContact O-N 3.4Å
211	S	58.1	Low	65.1	Low	108 Å²	108	139.8 Å²	139.8	76%	0.755	80%	0.799	S	S	*	*			trans	-70.4	113.9	172.9	-166.9	0	0	0	0	107.3	G209 E213	G209-S211 VanDerWaalsContact C-N 3.28Å; G209-S211 PolarHBondContact O-N 3.29Å; S211-E213 PolarHBondContact O-N 3.26Å
212	G	50.4	Low	63.9	Low	68 Å²	68	139.6 Å²	139.6	70%	0.701	80%	0.797	S	S	*	*			trans	-69.9	119.3	-174.5	0	0	0	0	0	112.7	V210 G214	V210-G212 PolarHBondContact O-N 3.4Å; G212-G214 PolarHBondContact O-N 2.07Å; G212-G214 VanDerWaalsContact O-N 3.08Å
213	E	52	Low	62.7	Low	171 Å²	171	137 Å²	137	80%	0.799	80%	0.795	S	S	*	*			trans	-72.1	85.5	147.3	53.9	-107.4	-156.4	0	0	109.6	S211 L215	S211-E213 PolarHBondContact O-N 3.26Å; E213-L215 PolarHBondContact O-N 3.45Å
214	G	52.6	Low	61.6	Low	62 Å²	62	132.7 Å²	132.7	64%	0.639	80%	0.803	S	S	*	*			trans	-64.1	97.2	162.8	0	0	0	0	0	109.6	G212 I216	G212-G214 PolarHBondContact O-N 2.07Å; G212-G214 VanDerWaalsContact O-N 3.08Å; G214-I216 PolarHBondContact O-N 3.1Å
215	L	49.8	Very low	60.4	Low	160 Å²	160	127 Å²	127	84%	0.838	79%	0.792	S	S	*	*			trans	-70.3	81.2	165.3	-65.8	176.6	0	0	0	108.9	E213 F217	E213-L215 PolarHBondContact O-N 3.45Å; L215-F217 PolarHBondContact O-N 3.04Å
216	I	50.1	Low	58.8	Low	147 Å²	147	129.5 Å²	129.5	75%	0.754	82%	0.818	S	S	*	*			trans	-82.1	86.7	170.3	-56	-178.4	0	0	0	108	G214	G214-I216 PolarHBondContact O-N 3.1Å
217	F	50.5	Low	57.7	Low	207 Å²	207	130.1 Å²	130.1	91%	0.908	82%	0.818	S	S	*	*			trans	-147.1	78.3	162.6	-80.3	-77	0	0	0	110.3	L215	L215-F217 PolarHBondContact O-N 3.04Å
218	G	43.1	Very low	56.6	Low	72 Å²	72	129.2 Å²	129.2	74%	0.742	81%	0.814	S	S	*	*			trans	-117.8	116	163.9	0	0	0	0	0	108.9
219	P	52.9	Low	55.3	Low	126 Å²	126	127.7 Å²	127.7	82%	0.818	81%	0.813	S	S	*	*			trans	-79.2	137	-164.1	30.5	-33.5	0	0	0	113.1	Q221	P219-Q221 PolarHBondContact O-N 3.02Å
220	G	53.6	Low	54.2	Low	69 Å²	69	131.2 Å²	131.2	71%	0.711	82%	0.819	S	S	*	*			trans	17.1	96.5	149	0	0	0	0	0	117.8	I222	G220-I222 PolarHBondContact O-N 3.1Å
221	Q	50.7	Low	53.3	Low	196 Å²	196	131 Å²	131	92%	0.916	82%	0.819	S	S	*	*			trans	-69.9	107.4	155.5	-58.5	176.5	94	0	0	107.3	P219 P223	P219-Q221 PolarHBondContact O-N 3.02Å; Q221-P223 WeakPolarHBondContact O-CD 3.1Å
222	I	56.7	Low	53	Low	159 Å²	159	132.5 Å²	132.5	82%	0.815	82%	0.824	S	S	*	*			trans	-76.2	121.3	173.1	-58	-176.7	0	0	0	107.6	G220 A224	G220-I222 PolarHBondContact O-N 3.1Å; I222-A224 PolarHBondContact O-N 3.43Å
223	P	57.3	Low	53.1	Low	118 Å²	118	137.1 Å²	137.1	77%	0.766	83%	0.832	S	S	*	*			trans	-75.6	122	177.4	29.6	-31	0	0	0	109.8	Q221 G225	Q221-P223 WeakPolarHBondContact O-CD 3.1Å; P223-G225 PolarHBondContact O-N 3.34Å
224	A	63.7	Low	53.2	Low	110 Å²	110	134.5 Å²	134.5	91%	0.909	84%	0.835	S	S	*	*			trans	-65.9	109.8	169.2	0	0	0	0	0	108.9	I222	I222-A224 PolarHBondContact O-N 3.43Å
225	G	62	Low	53.3	Low	68 Å²	68	140.6 Å²	140.6	70%	0.701	85%	0.851	S	S	*	*			trans	-94.3	128.2	168.9	0	0	0	0	0	110.6	P223	P223-G225 PolarHBondContact O-N 3.34Å
226	L	48.9	Very low	53.6	Low	255 Å²	255	138.8 Å²	138.8	100%	1.335	85%	0.852	S	S	*	*			trans	64	0	160.6	-60.1	172.7	0	0	0	118.7

Retrieved 226 of 226 residues in 196 ms (Link to these results)

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