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Isoform 2 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 Q99NF2-2 (canonical: Q99NF2), Species MOUSE (Mus musculus, Mouse), Gene Nsmf, Length 530 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	51.5	Low	54.1	Low	239 Å²	239	117.5 Å²	117.5	100%	1.177	64%	0.64	S	S	*	*				0	0.6	0	-77.1	-163.2	-85.4	0	0	116	A3	M1-A3 PolarHBondContact O-N 3.17Å
2	G	51.6	Low	54.2	Low	61 Å²	61	123.4 Å²	123.4	63%	0.629	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-35.7	-166.6	0	0	0	0	0	118.3	A4 A5	G2-A4 PolarHBondContact O-N 3.04Å; G2-A5 PolarHBondContact O-N 3.26Å
3	A	53.5	Low	54.4	Low	68 Å²	68	120.3 Å²	120.3	56%	0.562	64%	0.641	S	S	*	*	H	α-helix	trans	-60.4	-36.3	-165.7	0	0	0	0	0	115.2	M1 A5 S6 R7	M1-A3 PolarHBondContact O-N 3.17Å; A3-A5 VanDerWaalsContact C-N 3.34Å; A3-A5 PolarHBondContact O-N 3.06Å; A3-S6 PolarHBondContact O-N 3.08Å; A3-R7 PolarHBondContact O-N 3.19Å
4	A	52.2	Low	54.7	Low	65 Å²	65	120.9 Å²	120.9	54%	0.537	64%	0.638	S	S	.	*	H	α-helix	trans	-69.4	-29.9	-178.1	0	0	0	0	0	113.3	G2 R8	G2-A4 PolarHBondContact O-N 3.04Å; A4-R8 WeakPolarHBondContact O-CG 3.39Å; A4-R8 PolarHBondContact O-N 2.96Å
5	A	53.7	Low	54.9	Low	50 Å²	50	116.5 Å²	116.5	41%	0.413	63%	0.626	S	S	.	*	H	α-helix	trans	-72.6	-36.6	177.3	0	0	0	0	0	111.8	G2 A3 R9	G2-A5 PolarHBondContact O-N 3.26Å; A3-A5 VanDerWaalsContact C-N 3.34Å; A3-A5 PolarHBondContact O-N 3.06Å; A5-R9 PolarHBondContact O-N 2.93Å
6	S	60.2	Low	55.5	Low	77 Å²	77	117.3 Å²	117.3	54%	0.538	63%	0.626	S	S	.	*	H	α-helix	trans	-64.3	-51.7	177	-176.5	0	0	0	0	111.7	A3 R8 R9 A10	A3-S6 PolarHBondContact O-N 3.08Å; S6-R8 VanDerWaalsContact C-N 3.28Å; S6-R8 PolarHBondContact O-N 3.5Å; S6-R9 WeakPolarHBondContact O-CA 3.27Å; S6-R9 WeakPolarHBondContact O-CB 3.45Å; S6-R9 PolarHBondContact O-N 3.29Å; S6-A10 PolarHBondContact O-N 3.3Å
7	R	53.2	Low	56.3	Low	190 Å²	190	114.5 Å²	114.5	72%	0.717	62%	0.619	S	S	*	*	H	α-helix	trans	-58.3	-37.2	179	-62.1	-173.9	-168.6	-164.5	3.7	112.8	A3 R9 A10 L11	A3-R7 PolarHBondContact O-N 3.19Å; R7-R9 VanDerWaalsContact C-N 3.32Å; R7-R9 PolarHBondContact O-N 2.86Å; R7-A10 PolarHBondContact O-N 2.84Å; R7-L11 WeakPolarHBondContact O-CG 3.11Å; R7-L11 PolarHBondContact O-N 3.12Å; R7-L11 VanDerWaalsContact O-N 3.16Å
8	R	51.3	Low	57.3	Low	185 Å²	185	111 Å²	111	70%	0.698	60%	0.604	S	S	*	*	H	α-helix	trans	-69.8	-23.5	174.3	-73.6	-176.7	-179.5	-177.4	2.7	114.1	A4 S6 R12	A4-R8 WeakPolarHBondContact O-CG 3.39Å; A4-R8 PolarHBondContact O-N 2.96Å; S6-R8 VanDerWaalsContact C-N 3.28Å; S6-R8 PolarHBondContact O-N 3.5Å; R8-R12 WeakPolarHBondContact O-CD 3.46Å; R8-R12 WeakPolarHBondContact O-CG 3.46Å
9	R	54.3	Low	58.2	Low	188 Å²	188	109.4 Å²	109.4	71%	0.709	60%	0.598	S	S	*	*	H	α-helix	trans	-79	-45.5	172.5	-112.1	-179.3	-86.4	165.8	-10.6	111	A5 S6 R7 R12 S13	A5-R9 PolarHBondContact O-N 2.93Å; S6-R9 WeakPolarHBondContact O-CA 3.27Å; S6-R9 WeakPolarHBondContact O-CB 3.45Å; S6-R9 PolarHBondContact O-N 3.29Å; R7-R9 VanDerWaalsContact C-N 3.32Å; R7-R9 PolarHBondContact O-N 2.86Å; R9-R12 PolarHBondContact O-N 3.42Å; R9-S13 PolarHBondContact O-N 3.44Å
10	A	56.2	Low	59.1	Low	57 Å²	57	105.9 Å²	105.9	47%	0.471	58%	0.584	S	S	.	*	H	α-helix	trans	-55.6	-55.2	176.8	0	0	0	0	0	112.3	S6 R7 R12 S13 E14	S6-A10 PolarHBondContact O-N 3.3Å; R7-A10 PolarHBondContact O-N 2.84Å; A10-R12 PolarHBondContact O-N 3.2Å; A10-R12 VanDerWaalsContact O-N 3.13Å; A10-S13 WeakPolarHBondContact O-CB 3.47Å; A10-S13 PolarHBondContact O-N 3.35Å; A10-E14 PolarHBondContact O-N 3.18Å
11	L	57.2	Low	59.9	Low	113 Å²	113	103.1 Å²	103.1	59%	0.592	58%	0.576	S	S	*	*	H	α-helix	trans	-60.1	-27.1	-179.9	-68.9	169.8	0	0	0	113.8	R7 A15	R7-L11 WeakPolarHBondContact O-CG 3.11Å; R7-L11 PolarHBondContact O-N 3.12Å; R7-L11 VanDerWaalsContact O-N 3.16Å; L11-A15 VanDerWaalsContact O-CB 3.29Å; L11-A15 WeakPolarHBondContact O-CB 3.44Å; L11-A15 PolarHBondContact O-N 3.43Å; L11-A15 VanDerWaalsContact O-N 3.14Å
12	R	55.7	Low	61.1	Low	188 Å²	188	98.5 Å²	98.5	71%	0.709	55%	0.549	S	S	*	.	H	α-helix	trans	-76.8	-41.6	174.1	-79.5	177	169.1	164.8	-6	112.1	R8 R9 A10 A15 M16	R8-R12 WeakPolarHBondContact O-CD 3.46Å; R8-R12 WeakPolarHBondContact O-CG 3.46Å; R9-R12 PolarHBondContact O-N 3.42Å; A10-R12 PolarHBondContact O-N 3.2Å; A10-R12 VanDerWaalsContact O-N 3.13Å; R12-A15 PolarHBondContact O-N 2.76Å; R12-M16 WeakPolarHBondContact O-CB 3.5Å; R12-M16 WeakPolarHBondContact O-CG 3.45Å; R12-M16 PolarHBondContact O-N 3.42Å
13	S	56.6	Low	62.6	Low	83 Å²	83	100 Å²	100	58%	0.58	55%	0.546	S	S	*	.	H	α-helix	trans	-59.6	-47.8	173.7	-173.3	0	0	0	0	111.1	R9 A10 A15 M16 S17	R9-S13 PolarHBondContact O-N 3.44Å; A10-S13 WeakPolarHBondContact O-CB 3.47Å; A10-S13 PolarHBondContact O-N 3.35Å; S13-A15 PolarHBondContact O-N 2.89Å; S13-M16 PolarHBondContact O-N 3.46Å; S13-S17 WeakPolarHBondContact O-CB 3.36Å; S13-S17 PolarHBondContact O-N 3.01Å
14	E	58.9	Low	63.8	Low	129 Å²	129	104.7 Å²	104.7	60%	0.603	55%	0.549	S	S	*	.	H	α-helix	trans	-62.9	-43.3	179.2	-170.9	174.3	-161.1	0	0	112.4	A10 S17 S18	A10-E14 PolarHBondContact O-N 3.18Å; E14-S17 PolarHBondContact O-N 3.19Å; E14-S18 WeakPolarHBondContact O-CB 3.37Å; E14-S18 PolarHBondContact O-N 2.88Å
15	A	56.7	Low	64.9	Low	55 Å²	55	104.6 Å²	104.6	46%	0.455	55%	0.548	S	S	.	.	H	α-helix	trans	-62.6	-42.7	173.6	0	0	0	0	0	112.6	L11 R12 S13 S18 V19	L11-A15 VanDerWaalsContact O-CB 3.29Å; L11-A15 WeakPolarHBondContact O-CB 3.44Å; L11-A15 PolarHBondContact O-N 3.43Å; L11-A15 VanDerWaalsContact O-N 3.14Å; R12-A15 PolarHBondContact O-N 2.76Å; S13-A15 PolarHBondContact O-N 2.89Å; A15-S18 PolarHBondContact O-N 2.94Å; A15-V19 WeakPolarHBondContact O-CG2 3.41Å; A15-V19 PolarHBondContact O-N 3.33Å
16	M	64.6	Low	66	Low	128 Å²	128	105.3 Å²	105.3	63%	0.631	55%	0.554	S	S	*	*	H	α-helix	trans	-64.1	-41.7	176.1	-66.5	-101.3	60.5	0	0	111.4	R12 S13 V19 A20	R12-M16 WeakPolarHBondContact O-CB 3.5Å; R12-M16 WeakPolarHBondContact O-CG 3.45Å; R12-M16 PolarHBondContact O-N 3.42Å; S13-M16 PolarHBondContact O-N 3.46Å; M16-V19 PolarHBondContact O-N 2.95Å; M16-A20 WeakPolarHBondContact O-CB 2.85Å; M16-A20 PolarHBondContact O-N 3.32Å
17	S	69.3	Low	66.9	Low	71 Å²	71	110 Å²	110	50%	0.497	56%	0.56	S	S	.	*	H	α-helix	trans	-63	-43.8	175.2	-171.2	0	0	0	0	112	S13 E14 V19 A20 A21	S13-S17 WeakPolarHBondContact O-CB 3.36Å; S13-S17 PolarHBondContact O-N 3.01Å; E14-S17 PolarHBondContact O-N 3.19Å; S17-V19 VanDerWaalsContact C-N 3.33Å; S17-V19 PolarHBondContact O-N 2.91Å; S17-A20 PolarHBondContact O-N 3.04Å; S17-A21 WeakPolarHBondContact O-CB 3.45Å; S17-A21 PolarHBondContact O-N 3.4Å
18	S	74.2	Confident	68	Low	51 Å²	51	103.5 Å²	103.5	36%	0.357	55%	0.547	S	S	.	.	H	α-helix	trans	-60.6	-39.6	175	-168.7	0	0	0	0	112.4	E14 A15 K22	E14-S18 WeakPolarHBondContact O-CB 3.37Å; E14-S18 PolarHBondContact O-N 2.88Å; A15-S18 PolarHBondContact O-N 2.94Å; S18-K22 WeakPolarHBondContact O-CB 3.36Å; S18-K22 WeakPolarHBondContact O-CD 2.98Å; S18-K22 VanDerWaalsContact O-CG 3.3Å; S18-K22 WeakPolarHBondContact O-CG 3.28Å; S18-K22 PolarHBondContact O-N 2.66Å; S18-K22 VanDerWaalsContact O-N 3.08Å; S18-K22 PolarHBondContact OG-NZ 3.48Å
19	V	75	Confident	69	Low	80 Å²	80	100.9 Å²	100.9	49%	0.485	54%	0.54	S	S	.	.	H	α-helix	trans	-67.4	-47.1	174.4	171.8	0	0	0	0	110.9	A15 M16 S17 A21 K22 V23	A15-V19 WeakPolarHBondContact O-CG2 3.41Å; A15-V19 PolarHBondContact O-N 3.33Å; M16-V19 PolarHBondContact O-N 2.95Å; S17-V19 VanDerWaalsContact C-N 3.33Å; S17-V19 PolarHBondContact O-N 2.91Å; V19-A21 VanDerWaalsContact C-N 3.32Å; V19-A21 PolarHBondContact O-N 2.92Å; V19-K22 PolarHBondContact O-N 3.36Å; V19-K22 VanDerWaalsContact O-N 3.16Å; V19-V23 HydrophobicContact CG1-CG2 4.34Å; V19-V23 WeakPolarHBondContact O-CG2 3.43Å; V19-V23 PolarHBondContact O-N 3.15Å
20	A	76.3	Confident	70	Confident	39 Å²	39	93.7 Å²	93.7	32%	0.322	53%	0.525	S	S	.	.	H	α-helix	trans	-62	-37.2	178.2	0	0	0	0	0	112.8	M16 S17 R24	M16-A20 WeakPolarHBondContact O-CB 2.85Å; M16-A20 PolarHBondContact O-N 3.32Å; S17-A20 PolarHBondContact O-N 3.04Å; A20-R24 WeakPolarHBondContact O-CB 3.19Å; A20-R24 PolarHBondContact O-N 3.21Å
21	A	75.1	Confident	70.8	Confident	49 Å²	49	94.8 Å²	94.8	41%	0.405	52%	0.52	S	S	.	.	H	α-helix	trans	-64.1	-44.8	172.8	0	0	0	0	0	111.9	S17 V19 R24 A25	S17-A21 WeakPolarHBondContact O-CB 3.45Å; S17-A21 PolarHBondContact O-N 3.4Å; V19-A21 VanDerWaalsContact C-N 3.32Å; V19-A21 PolarHBondContact O-N 2.92Å; A21-R24 PolarHBondContact O-N 3.01Å; A21-A25 WeakPolarHBondContact O-CB 3.45Å; A21-A25 PolarHBondContact O-N 3.46Å
22	K	77.3	Confident	71.5	Confident	141 Å²	141	96.7 Å²	96.7	61%	0.613	52%	0.521	S	S	*	.	H	α-helix	trans	-65.3	-38.3	176.4	-74.5	163.8	-178.5	154.1	0	112.6	S18 V19 A25 A26	S18-K22 WeakPolarHBondContact O-CB 3.36Å; S18-K22 WeakPolarHBondContact O-CD 2.98Å; S18-K22 VanDerWaalsContact O-CG 3.3Å; S18-K22 WeakPolarHBondContact O-CG 3.28Å; S18-K22 PolarHBondContact O-N 2.66Å; S18-K22 VanDerWaalsContact O-N 3.08Å; S18-K22 PolarHBondContact OG-NZ 3.48Å; V19-K22 PolarHBondContact O-N 3.36Å; V19-K22 VanDerWaalsContact O-N 3.16Å; K22-A25 PolarHBondContact O-N 2.93Å; K22-A26 WeakPolarHBondContact O-CB 3.45Å; K22-A26 PolarHBondContact O-N 3.35Å
23	V	82.1	Confident	72.1	Confident	93 Å²	93	92 Å²	92	56%	0.564	51%	0.509	S	S	*	.	H	α-helix	trans	-65.6	-43.9	174.5	171.2	0	0	0	0	111	V19 A26 R27	V19-V23 HydrophobicContact CG1-CG2 4.34Å; V19-V23 WeakPolarHBondContact O-CG2 3.43Å; V19-V23 PolarHBondContact O-N 3.15Å; V23-A26 PolarHBondContact O-N 2.88Å; V23-R27 WeakPolarHBondContact O-CB 3.16Å; V23-R27 PolarHBondContact O-N 3.38Å
24	R	78.9	Confident	72.5	Confident	167 Å²	167	91.8 Å²	91.8	63%	0.63	51%	0.507	S	S	*	.	H	α-helix	trans	-62.8	-42.8	174.2	-79.4	-174.8	-73.2	-125.1	1	112.7	A20 A21 R27 A28	A20-R24 WeakPolarHBondContact O-CB 3.19Å; A20-R24 PolarHBondContact O-N 3.21Å; A21-R24 PolarHBondContact O-N 3.01Å; R24-R27 PolarHBondContact O-N 2.96Å; R24-A28 WeakPolarHBondContact O-CB 3.17Å; R24-A28 PolarHBondContact O-N 3.43Å
25	A	76	Confident	72.5	Confident	62 Å²	62	93 Å²	93	51%	0.512	51%	0.513	S	S	.	.	H	α-helix	trans	-63.7	-41.8	176.5	0	0	0	0	0	112.3	A21 K22 F29	A21-A25 WeakPolarHBondContact O-CB 3.45Å; A21-A25 PolarHBondContact O-N 3.46Å; K22-A25 PolarHBondContact O-N 2.93Å; A25-F29 WeakPolarHBondContact O-CB 3.3Å; A25-F29 PolarHBondContact O-N 2.66Å
26	A	77	Confident	72.3	Confident	65 Å²	65	93.1 Å²	93.1	54%	0.537	51%	0.511	S	S	.	.	H	α-helix	trans	-64.7	-38.4	175	0	0	0	0	0	112.3	K22 V23 F29 G30	K22-A26 WeakPolarHBondContact O-CB 3.45Å; K22-A26 PolarHBondContact O-N 3.35Å; V23-A26 PolarHBondContact O-N 2.88Å; A26-F29 PolarHBondContact O-N 3.33Å; A26-G30 PolarHBondContact O-N 3.32Å
27	R	79.1	Confident	71.2	Confident	176 Å²	176	93 Å²	93	66%	0.664	51%	0.508	S	S	*	.	H	α-helix	trans	-64.5	-50.9	175.4	-168.7	-174.8	-175.3	131.2	11	111.6	V23 R24 F29 G30 E31	V23-R27 WeakPolarHBondContact O-CB 3.16Å; V23-R27 PolarHBondContact O-N 3.38Å; R24-R27 PolarHBondContact O-N 2.96Å; R27-F29 VanDerWaalsContact C-N 3.26Å; R27-F29 PolarHBondContact O-N 3.05Å; R27-G30 WeakPolarHBondContact O-CA 3.33Å; R27-G30 PolarHBondContact O-N 3.48Å; R27-E31 WeakPolarHBondContact CD-OE1 3.44Å; R27-E31 VanDerWaalsContact CG-OE1 3.29Å; R27-E31 WeakPolarHBondContact CG-OE1 3.32Å; R27-E31 IonicContact CZ-OE1 3.95Å; R27-E31 IonicContact NE-OE1 2.92Å; R27-E31 PolarHBondContact NE-OE1 2.83Å; R27-E31 WeakPolarHBondContact O-CG 3.4Å; R27-E31 PolarHBondContact O-N 2.86Å
28	A	75.9	Confident	70.4	Confident	54 Å²	54	94.7 Å²	94.7	45%	0.446	52%	0.518	S	S	.	.	H	α-helix	trans	-60.8	-34	177.6	0	0	0	0	0	112.6	R24 Y32	R24-A28 WeakPolarHBondContact O-CB 3.17Å; R24-A28 PolarHBondContact O-N 3.43Å; A28-Y32 WeakPolarHBondContact O-CB 3.36Å; A28-Y32 PolarHBondContact O-N 3.01Å
29	F	73.3	Confident	69.1	Low	129 Å²	129	100.8 Å²	100.8	57%	0.566	54%	0.541	S	S	*	.	H	α-helix	trans	-69.7	-38.2	173.3	-170.2	-104.1	0	0	0	112.4	A25 A26 R27 Y32 L33	A25-F29 WeakPolarHBondContact O-CB 3.3Å; A25-F29 PolarHBondContact O-N 2.66Å; A26-F29 PolarHBondContact O-N 3.33Å; R27-F29 VanDerWaalsContact C-N 3.26Å; R27-F29 PolarHBondContact O-N 3.05Å; F29-Y32 PolarHBondContact O-N 2.95Å; F29-L33 HydrophobicContact CD1-CD1 3.96Å; F29-L33 HydrophobicContact CE1-CD1 3.65Å; F29-L33 HydrophobicContact CE1-CG 4.26Å; F29-L33 HydrophobicContact CZ-CD1 4.33Å; F29-L33 WeakPolarHBondContact O-CG 3.36Å; F29-L33 PolarHBondContact O-N 2.9Å
30	G	75	Confident	67.5	Low	37 Å²	37	103.1 Å²	103.1	38%	0.381	55%	0.551	S	S	.	*	H	α-helix	trans	-64.2	-41.9	171.3	0	0	0	0	0	112.9	A26 R27 L33 S34	A26-G30 PolarHBondContact O-N 3.32Å; R27-G30 WeakPolarHBondContact O-CA 3.33Å; R27-G30 PolarHBondContact O-N 3.48Å; G30-L33 PolarHBondContact O-N 2.99Å; G30-S34 PolarHBondContact O-N 3.38Å
31	E	73.6	Confident	66	Low	81 Å²	81	112 Å²	112	38%	0.379	58%	0.575	S	S	.	*	H	α-helix	trans	-65.7	-36.1	175.3	-71.5	162.7	-177.5	0	0	111.7	R27 S34 Q35	R27-E31 WeakPolarHBondContact CD-OE1 3.44Å; R27-E31 VanDerWaalsContact CG-OE1 3.29Å; R27-E31 WeakPolarHBondContact CG-OE1 3.32Å; R27-E31 IonicContact CZ-OE1 3.95Å; R27-E31 IonicContact NE-OE1 2.92Å; R27-E31 PolarHBondContact NE-OE1 2.83Å; R27-E31 WeakPolarHBondContact O-CG 3.4Å; R27-E31 PolarHBondContact O-N 2.86Å; E31-S34 PolarHBondContact O-N 3.24Å; E31-S34 PolarHBondContact O-OG 2.59Å; E31-Q35 WeakPolarHBondContact O-CB 3.48Å; E31-Q35 VanDerWaalsContact O-CG 3.25Å; E31-Q35 WeakPolarHBondContact O-CG 3.46Å; E31-Q35 PolarHBondContact O-N 2.83Å
32	Y	70.9	Confident	64.5	Low	153 Å²	153	117.6 Å²	117.6	60%	0.6	60%	0.599	S	S	*	*	H	α-helix	trans	-66.4	-39.6	171.9	179.2	-103.4	0	0	0	112.8	A28 F29 Q35 S36	A28-Y32 WeakPolarHBondContact O-CB 3.36Å; A28-Y32 PolarHBondContact O-N 3.01Å; F29-Y32 PolarHBondContact O-N 2.95Å; Y32-Q35 PolarHBondContact O-N 3.16Å; Y32-S36 PolarHBondContact O-N 3.36Å; Y32-S36 VanDerWaalsContact O-N 3.14Å; Y32-S36 PolarHBondContact O-OG 3.18Å
33	L	68.2	Low	62.8	Low	89 Å²	89	113.5 Å²	113.5	47%	0.466	60%	0.596	S	S	.	*	H	α-helix	trans	-67.3	-34.5	174.2	-71.3	174.6	0	0	0	112.5	F29 G30 S36 H37	F29-L33 HydrophobicContact CD1-CD1 3.96Å; F29-L33 HydrophobicContact CE1-CD1 3.65Å; F29-L33 HydrophobicContact CE1-CG 4.26Å; F29-L33 HydrophobicContact CZ-CD1 4.33Å; F29-L33 WeakPolarHBondContact O-CG 3.36Å; F29-L33 PolarHBondContact O-N 2.9Å; G30-L33 PolarHBondContact O-N 2.99Å; L33-S36 WeakPolarHBondContact CA-OG 3.38Å; L33-S36 PolarHBondContact O-OG 3.34Å; L33-H37 PolarHBondContact O-N 3.45Å
34	S	64.1	Low	60.8	Low	78 Å²	78	112.4 Å²	112.4	55%	0.545	60%	0.597	S	S	.	*	H	α-helix	trans	-74.8	-27.6	175.3	70.2	0	0	0	0	113.3	G30 E31	G30-S34 PolarHBondContact O-N 3.38Å; E31-S34 PolarHBondContact O-N 3.24Å; E31-S34 PolarHBondContact O-OG 2.59Å
35	Q	60.8	Low	58.9	Low	154 Å²	154	111.2 Å²	111.2	72%	0.72	60%	0.603	S	S	*	*	H	α-helix	trans	-76.4	-23.6	173.5	-72.4	170.7	33.5	0	0	113.4	E31 Y32	E31-Q35 WeakPolarHBondContact O-CB 3.48Å; E31-Q35 VanDerWaalsContact O-CG 3.25Å; E31-Q35 WeakPolarHBondContact O-CG 3.46Å; E31-Q35 PolarHBondContact O-N 2.83Å; Y32-Q35 PolarHBondContact O-N 3.16Å
36	S	51.1	Low	57.2	Low	58 Å²	58	116.2 Å²	116.2	41%	0.406	62%	0.616	S	S	.	*	H	α-helix	trans	-90.6	-8.4	179.3	42	0	0	0	0	114.6	Y32 L33	Y32-S36 PolarHBondContact O-N 3.36Å; Y32-S36 VanDerWaalsContact O-N 3.14Å; Y32-S36 PolarHBondContact O-OG 3.18Å; L33-S36 WeakPolarHBondContact CA-OG 3.38Å; L33-S36 PolarHBondContact O-OG 3.34Å
37	H	43	Very low	55.5	Low	126 Å²	126	120.2 Å²	120.2	58%	0.583	63%	0.627	S	S	*	*			trans	-135.4	94.1	170.9	-82.9	-81.1	0	0	0	111.4	L33 E39	L33-H37 PolarHBondContact O-N 3.45Å; H37-E39 PolarHBondContact O-N 3.24Å; H37-E39 VanDerWaalsContact O-N 3.14Å
38	P	51.2	Low	53.7	Low	107 Å²	107	119.2 Å²	119.2	70%	0.695	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-10.4	-176.6	27.8	-35.2	0	0	0	114.7
39	E	47.8	Very low	51.9	Low	178 Å²	178	119.7 Å²	119.7	83%	0.832	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-12	-171.4	-60.2	-178.6	124.4	0	0	114.5	H37 R41	H37-E39 PolarHBondContact O-N 3.24Å; H37-E39 VanDerWaalsContact O-N 3.14Å; E39-R41 PolarHBondContact O-N 3.04Å
40	N	41.9	Very low	50.1	Low	130 Å²	130	120.6 Å²	120.6	70%	0.695	65%	0.649	S	S	*	*			trans	-101.9	43.1	-171.2	-156.4	-3.1	0	0	0	113.7	N42	N40-N42 PolarHBondContact O-N 3.49Å
41	R	43.8	Very low	48.5	Very low	224 Å²	224	122.5 Å²	122.5	85%	0.845	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-4.6	-168	-128	176.3	-176.6	178.3	0.7	116.1	E39	E39-R41 PolarHBondContact O-N 3.04Å
42	N	43.6	Very low	46.8	Very low	168 Å²	168	128.6 Å²	128.6	90%	0.898	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.5	11.1	-166.7	-65	-3.6	0	0	0	114.8	N40	N40-N42 PolarHBondContact O-N 3.49Å
43	G	42.1	Very low	45.3	Very low	54 Å²	54	127 Å²	127	56%	0.557	69%	0.694	S	S	*	*	S	Bend	trans	-125	-3.2	-164.8	0	0	0	0	0	118.6
44	A	39.8	Very low	43.7	Very low	70 Å²	70	126.5 Å²	126.5	58%	0.579	71%	0.71	S	S	*	*	S	Bend	trans	-105.3	-36.9	-164.2	0	0	0	0	0	116	H46	A44-H46 PolarHBondContact O-N 3.34Å
45	D	38.8	Very low	42.4	Very low	143 Å²	143	131.2 Å²	131.2	77%	0.765	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-82.7	-14.5	-161.2	-64.6	-71.1	0	0	0	115.8
46	H	40.2	Very low	41.1	Very low	166 Å²	166	130.8 Å²	130.8	77%	0.769	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-80.8	-13.8	-179.1	-79.2	-70.8	0	0	0	115	A44 L48	A44-H46 PolarHBondContact O-N 3.34Å; H46-L48 PolarHBondContact O-N 2.79Å
47	L	42.5	Very low	40.3	Very low	150 Å²	150	131.7 Å²	131.7	79%	0.785	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-92.3	18.4	-173.1	-64.8	178.6	0	0	0	115.1
48	L	41.1	Very low	39.7	Very low	154 Å²	154	131.4 Å²	131.4	81%	0.806	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-126.4	-2	177.7	-70.4	175.5	0	0	0	114.8	H46	H46-L48 PolarHBondContact O-N 2.79Å
49	A	37	Very low	39.1	Very low	64 Å²	64	132.1 Å²	132.1	53%	0.529	76%	0.761	S	S	.	*	S	Bend	trans	-84.8	-45.2	-179	0	0	0	0	0	113.4	A51	A49-A51 PolarHBondContact O-N 2.88Å
50	D	36.3	Very low	38.3	Very low	148 Å²	148	132.2 Å²	132.2	79%	0.791	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	12.5	-164.5	-55.6	-26	0	0	0	115.6
51	A	40.4	Very low	38	Very low	78 Å²	78	133.9 Å²	133.9	65%	0.645	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-5.9	179.8	0	0	0	0	0	114.2	A49	A49-A51 PolarHBondContact O-N 2.88Å
52	Y	37.9	Very low	37.5	Very low	209 Å²	209	131 Å²	131	82%	0.82	76%	0.763	S	S	*	*	S	Bend	trans	-137.6	47.9	-171.4	-65.9	-78.6	0	0	0	113.4
53	S	39.5	Very low	36.9	Very low	120 Å²	120	129.2 Å²	129.2	84%	0.839	76%	0.761	S	S	*	*			trans	-141	109	170.5	-73.1	0	0	0	0	110.3
54	G	35.1	Very low	36.4	Very low	78 Å²	78	131.4 Å²	131.4	80%	0.804	77%	0.773	S	S	*	*			trans	-138.1	110.1	176.3	0	0	0	0	0	110.7
55	H	36.3	Very low	36.1	Very low	176 Å²	176	133.3 Å²	133.3	82%	0.815	78%	0.78	S	S	*	*			trans	-153.3	160.6	158.7	-149.1	-73.4	0	0	0	109.4
56	D	32.9	Very low	35.9	Very low	145 Å²	145	134.6 Å²	134.6	78%	0.775	78%	0.781	S	S	*	*			trans	-55.9	153.4	-169.8	-57.8	-71.2	0	0	0	117.4
57	G	34.7	Very low	35.7	Very low	77 Å²	77	133.5 Å²	133.5	79%	0.794	78%	0.781	S	S	*	*			trans	166.5	64.5	171.3	0	0	0	0	0	115.2
58	S	31.1	Very low	35.3	Very low	120 Å²	120	135.3 Å²	135.3	84%	0.839	78%	0.782	S	S	*	*			trans	-89.7	147.9	164.7	-71.6	0	0	0	0	110.6
59	P	39.2	Very low	35.3	Very low	122 Å²	122	139.2 Å²	139.2	79%	0.792	79%	0.787	S	S	*	*				-141.2	134.1	96.7	35.9	-21.5	0	0	0	116.2
60	E	31.3	Very low	35.3	Very low	181 Å²	181	147.3 Å²	147.3	85%	0.846	80%	0.803	S	S	*	*				35.4	116.1	126.4	-166.5	175.5	156.6	0	0	121.4
61	M	35.6	Very low	34.9	Very low	165 Å²	165	148.7 Å²	148.7	81%	0.813	81%	0.81	S	S	*	*				-156.5	135.2	127.8	-115.6	-152.8	-179.8	0	0	114.9
62	Q	32.3	Very low	34.7	Very low	163 Å²	163	150.1 Å²	150.1	76%	0.762	82%	0.815	S	S	*	*			trans	54.5	121.8	155.8	-56	-159.8	5.2	0	0	122.1
63	P	30.2	Very low	34.6	Very low	131 Å²	131	148.4 Å²	148.4	85%	0.851	82%	0.819	S	S	*	*			trans	-116.1	137.7	170.9	38	-27.5	0	0	0	115.2
64	A	32	Very low	34.5	Very low	99 Å²	99	148.7 Å²	148.7	82%	0.818	82%	0.816	S	S	*	*			trans	-164.6	159.6	163	0	0	0	0	0	111.9
65	P	33.8	Very low	34.7	Very low	111 Å²	111	149.1 Å²	149.1	72%	0.721	81%	0.807	S	S	*	*			cis	-123	163.1	-43.6	37.8	-26.4	0	0	0	112.2
66	Q	34.3	Very low	34.6	Very low	169 Å²	169	149 Å²	149	79%	0.79	81%	0.812	S	S	*	*			trans	-74.9	128.8	177.6	-63.4	-177.5	7.6	0	0	112.3
67	N	35.5	Very low	34.8	Very low	143 Å²	143	145.7 Å²	145.7	77%	0.765	81%	0.812	S	S	*	*			trans	-118.3	96.8	169.7	-104.9	-54.1	0	0	0	111.5
68	K	35.5	Very low	34.7	Very low	188 Å²	188	152.2 Å²	152.2	82%	0.817	81%	0.813	S	S	*	*			trans	-79.7	115	168.7	-62.8	173.2	-175.5	171.6	0	108.6
69	R	39.9	Very low	34.9	Very low	237 Å²	237	157.6 Å²	157.6	89%	0.894	82%	0.816	S	S	*	*			trans	-109.3	134.5	165.3	-79.9	-168.2	171.1	-168.8	-2.4	111.3
70	R	37.3	Very low	34.5	Very low	233 Å²	233	159 Å²	159	88%	0.879	81%	0.812	S	S	*	*			trans	-70.1	156	-177.7	-71.6	157.6	58	-170.9	0.5	110.8
71	L	28.1	Very low	34.9	Very low	177 Å²	177	153.7 Å²	153.7	93%	0.927	81%	0.807	S	S	*	*			trans	-60.2	140.4	152.7	-68.1	161.5	0	0	0	109.2
72	S	37.1	Very low	34.6	Very low	108 Å²	108	151.7 Å²	151.7	76%	0.755	81%	0.809	S	S	*	*			trans	-141	137.9	170.5	54.7	0	0	0	0	110.1
73	L	34.8	Very low	34.8	Very low	173 Å²	173	152.2 Å²	152.2	91%	0.906	82%	0.815	S	S	*	*			trans	-75.3	138.5	-179.2	-157.3	75.4	0	0	0	110.9
74	V	38.4	Very low	35.2	Very low	126 Å²	126	151.4 Å²	151.4	76%	0.764	81%	0.812	S	S	*	*			trans	-141.5	87	167.7	-179.1	0	0	0	0	105.1
75	S	38.2	Very low	35.3	Very low	88 Å²	88	154.2 Å²	154.2	62%	0.615	81%	0.814	S	S	*	*				71.5	113.3	76.7	76	0	0	0	0	112.8
76	N	34	Very low	35.4	Very low	172 Å²	172	158.5 Å²	158.5	92%	0.92	82%	0.824	S	S	*	*			trans	-61.2	138.5	-176.7	-58.1	-15.3	0	0	0	112.1
77	G	38.3	Very low	35.4	Very low	76 Å²	76	154.9 Å²	154.9	78%	0.784	82%	0.823	S	S	*	*			trans	-120	118	161.3	0	0	0	0	0	109.3
78	R	32.8	Very low	35.4	Very low	214 Å²	214	155.2 Å²	155.2	81%	0.808	83%	0.83	S	S	*	*			trans	-73.2	148.1	164.2	-66.7	-173.5	-176.3	-171.8	3.6	108.6	E80	R78-E80 IonicContact NH1-OE1 2.86Å; R78-E80 PolarHBondContact NH1-OE1 3.21Å
79	Y	33.5	Very low	35.2	Very low	233 Å²	233	152 Å²	152	91%	0.914	83%	0.831	S	S	*	*			trans	-128.9	105.8	158.4	-125.6	-91.2	0	0	0	107.5
80	E	32	Very low	34.9	Very low	151 Å²	151	144.2 Å²	144.2	71%	0.706	82%	0.824	S	S	*	*			trans	-87.5	141.9	165.9	-74.2	167.5	-160.9	0	0	107.6	R78	R78-E80 IonicContact NH1-OE1 2.86Å; R78-E80 PolarHBondContact NH1-OE1 3.21Å
81	G	39.4	Very low	34.6	Very low	71 Å²	71	142.9 Å²	142.9	73%	0.732	83%	0.825	S	S	*	*			trans	-156.4	56	-170.4	0	0	0	0	0	111.7	I83	G81-I83 PolarHBondContact O-N 3.28Å
82	S	30	Very low	34.9	Very low	123 Å²	123	140.4 Å²	140.4	86%	0.86	82%	0.819	S	S	*	*			trans	-70.2	126.4	174.6	-63.6	0	0	0	0	111
83	I	36.2	Very low	34.7	Very low	173 Å²	173	139.8 Å²	139.8	89%	0.887	82%	0.821	S	S	*	*			trans	-135.1	146.4	155.7	17.1	175.2	0	0	0	107.4	G81	G81-I83 PolarHBondContact O-N 3.28Å
84	S	37.5	Very low	34.7	Very low	114 Å²	114	139.8 Å²	139.8	80%	0.797	82%	0.82	S	S	*	*			trans	-88.7	164	-151.3	50.7	0	0	0	0	115.6
85	D	33.7	Very low	34.4	Very low	159 Å²	159	141.7 Å²	141.7	85%	0.85	82%	0.821	S	S	*	*			trans	-50.8	145.6	168.1	-59.1	-93.6	0	0	0	113.8
86	E	37.4	Very low	34.2	Very low	201 Å²	201	140.2 Å²	140.2	94%	0.939	82%	0.819	S	S	*	*				-140.3	145.1	126.8	-145.6	-173.8	159.8	0	0	109.3
87	A	32.9	Very low	34.6	Very low	92 Å²	92	138.4 Å²	138.4	76%	0.76	82%	0.817	S	S	*	*			trans	-110.3	130.8	-162.8	0	0	0	0	0	113.6
88	V	37.2	Very low	34.5	Very low	150 Å²	150	141.3 Å²	141.3	91%	0.909	81%	0.81	S	S	*	*			trans	-128.6	124.7	165	179.9	0	0	0	0	109.6
89	S	30.3	Very low	34.9	Very low	121 Å²	121	135 Å²	135	85%	0.846	80%	0.797	S	S	*	*			trans	-82.9	126.7	-172.2	143.6	0	0	0	0	113
90	G	34.1	Very low	35.5	Very low	73 Å²	73	130.2 Å²	130.2	75%	0.753	78%	0.783	S	S	*	*			trans	-137.9	135.6	165	0	0	0	0	0	111
91	K	31.3	Very low	36.1	Very low	205 Å²	205	126.1 Å²	126.1	89%	0.891	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-83.6	157.8	-175.1	-94.8	-176.3	176.5	179.2	0	113.2
92	P	34.4	Very low	36.3	Very low	125 Å²	125	128.2 Å²	128.2	81%	0.812	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-88.2	162.6	-152.6	34.7	-38.5	0	0	0	115.4
93	A	32.9	Very low	37.2	Very low	96 Å²	96	127.5 Å²	127.5	79%	0.793	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-98.1	153.6	160.8	0	0	0	0	0	110.5
94	I	33.8	Very low	37.8	Very low	172 Å²	172	120.7 Å²	120.7	88%	0.882	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-77.7	124.8	-170.3	-63.7	161.2	0	0	0	111
95	E	32.4	Very low	38.2	Very low	166 Å²	166	119.3 Å²	119.3	78%	0.776	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-72.6	133.3	165	-89.2	-170.6	117.7	0	0	111
96	G	33.8	Very low	38.7	Very low	57 Å²	57	121.3 Å²	121.3	59%	0.588	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-78.1	156.9	171.1	0	0	0	0	0	112.1	Q98	G96-Q98 PolarHBondContact O-N 2.92Å
97	P	42	Very low	38.6	Very low	134 Å²	134	120 Å²	120	87%	0.87	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-64	119.3	-177.4	26.2	-34.3	0	0	0	111.5
98	Q	37.1	Very low	38.9	Very low	137 Å²	137	120.6 Å²	120.6	64%	0.64	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-63.1	142.8	174.6	-69.1	-168	5	0	0	111.3	G96 H100	G96-Q98 PolarHBondContact O-N 2.92Å; Q98-H100 PolarHBondContact O-N 3.49Å; Q98-H100 PolarHBondContact O-ND1 3.05Å
99	P	41	Very low	38.7	Very low	82 Å²	82	117.7 Å²	117.7	53%	0.532	68%	0.678	S	S	.	*			trans	-69.4	98.1	177.1	29	-34	0	0	0	110.2	V101	P99-V101 PolarHBondContact O-N 3.28Å
100	H	47.2	Very low	38.9	Very low	133 Å²	133	119.8 Å²	119.8	62%	0.616	68%	0.679	S	S	*	*			trans	-69.1	104.2	-178.5	-73.9	54.5	0	0	0	110.8	Q98 Y102	Q98-H100 PolarHBondContact O-N 3.49Å; Q98-H100 PolarHBondContact O-ND1 3.05Å; H100-Y102 HydrophobicContact CB-CD2 4.23Å; H100-Y102 HydrophobicContact CB-CE2 3.44Å; H100-Y102 VanDerWaalsContact CB-CE2 3.44Å; H100-Y102 WeakPolarHBondContact O-CD2 3.39Å; H100-Y102 WeakPolarHBondContact O-CE2 3.43Å
101	V	42.8	Very low	38.8	Very low	65 Å²	65	123.8 Å²	123.8	39%	0.394	68%	0.682	S	S	.	*			trans	-85.7	126.4	172.4	-167.9	0	0	0	0	108.9	P99 P362 L376	P99-V101 PolarHBondContact O-N 3.28Å; V101-P362 HydrophobicContact CB-CG 4.38Å; V101-P362 HydrophobicContact CG1-CG 3.94Å; V101-P362 HydrophobicContact CG2-CB 3.56Å; V101-P362 HydrophobicContact CG2-CG 3.55Å; V101-L376 HydrophobicContact CG1-CB 4.27Å; V101-L376 HydrophobicContact CG1-CD2 3.91Å
102	Y	43.8	Very low	38.8	Very low	115 Å²	115	120.2 Å²	120.2	45%	0.451	68%	0.68	S	S	.	*			trans	-110.6	120.7	178.2	-64.5	-107.8	0	0	0	108.2	H100	H100-Y102 HydrophobicContact CB-CD2 4.23Å; H100-Y102 HydrophobicContact CB-CE2 3.44Å; H100-Y102 VanDerWaalsContact CB-CE2 3.44Å; H100-Y102 WeakPolarHBondContact O-CD2 3.39Å; H100-Y102 WeakPolarHBondContact O-CE2 3.43Å
103	T	50	Low	38.5	Very low	107 Å²	107	117.9 Å²	117.9	66%	0.656	68%	0.678	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.3	121.2	176.7	37.5	0	0	0	0	109.7	S105 L376	T103-S105 PolarHBondContact O-N 3.29Å; T103-S105 VanDerWaalsContact O-N 3.15Å; T103-L376 HydrophobicContact CG2-CD2 3.92Å; T103-L376 HydrophobicContact CG2-CG 4.41Å
104	I	49.1	Very low	38.3	Very low	31 Å²	31	118.8 Å²	118.8	16%	0.159	68%	0.679	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.8	100.4	174	-53.7	176.8	0	0	0	108.4	D386 E390	I104-D386 HydrophobicContact CG2-CB 4.19Å; I104-E390 HydrophobicContact CD1-CB 3.88Å; I104-E390 HydrophobicContact CD1-CG 4.14Å
105	S	45.6	Very low	38.2	Very low	84 Å²	84	119.8 Å²	119.8	59%	0.587	68%	0.68	S	S	*	*			trans	-143.3	121	169.9	-173.2	0	0	0	0	110.2	T103	T103-S105 PolarHBondContact O-N 3.29Å; T103-S105 VanDerWaalsContact O-N 3.15Å
106	R	43.5	Very low	38.3	Very low	201 Å²	201	116.7 Å²	116.7	76%	0.758	68%	0.682	S	S	*	*			trans	-96.3	86.3	171	-68.9	-170.9	-170.3	-167.1	4.7	109.5	D386	R106-D386 IonicContact NE-OD1 3.94Å; R106-D386 IonicContact NH2-OD1 2.65Å
107	E	35.9	Very low	38.3	Very low	173 Å²	173	123.1 Å²	123.1	81%	0.808	70%	0.697	S	S	*	*			trans	-89.7	128.3	163.4	-169.9	166.7	-130	0	0	109.3	A109	E107-A109 PolarHBondContact O-N 2.85Å
108	P	38.6	Very low	37.9	Very low	106 Å²	106	120.9 Å²	120.9	69%	0.688	69%	0.69	S	S	*	*			trans	-73.8	115.1	176.6	28.8	-32.3	0	0	0	109.8	L110	P108-L110 PolarHBondContact O-N 3.36Å
109	A	33.8	Very low	37.9	Very low	88 Å²	88	122.5 Å²	122.5	73%	0.727	70%	0.701	S	S	*	*			trans	-63.2	100.3	-179.1	0	0	0	0	0	111.9	E107 L111	E107-A109 PolarHBondContact O-N 2.85Å; A109-L111 PolarHBondContact O-N 3.14Å
110	L	34.2	Very low	37.6	Very low	166 Å²	166	126.7 Å²	126.7	87%	0.869	71%	0.714	S	S	*	*			trans	-73.8	92.5	168.9	-69.7	174.9	0	0	0	109.1	P108 P112	P108-L110 PolarHBondContact O-N 3.36Å; L110-P112 WeakPolarHBondContact O-CD 3.5Å
111	L	32.4	Very low	37	Very low	156 Å²	156	127 Å²	127	82%	0.817	72%	0.719	S	S	*	*			trans	-61.3	124.1	178.1	-63.3	174.2	0	0	0	111.3	A109	A109-L111 PolarHBondContact O-N 3.14Å
112	P	29.9	Very low	36.7	Very low	131 Å²	131	127.7 Å²	127.7	85%	0.851	73%	0.732	S	S	*	*			trans	-78.7	115.8	159.5	31.6	-28.7	0	0	0	108.4	L110	L110-P112 WeakPolarHBondContact O-CD 3.5Å
113	G	28.5	Very low	36.2	Very low	75 Å²	75	128.7 Å²	128.7	77%	0.773	75%	0.749	S	S	*	*			trans	-153.9	112.8	-178.5	0	0	0	0	0	112.7
114	S	29.9	Very low	35.8	Very low	116 Å²	116	130.1 Å²	130.1	81%	0.811	76%	0.758	S	S	*	*			trans	-152	153.4	163.6	-138.1	0	0	0	0	109.1
115	E	30.4	Very low	35.2	Very low	192 Å²	192	138.7 Å²	138.7	90%	0.897	79%	0.794	S	S	*	*			trans	61.4	67.8	169.2	-56.5	-174.6	164.3	0	0	116.8
116	A	34.3	Very low	34.3	Very low	101 Å²	101	138 Å²	138	84%	0.835	80%	0.801	S	S	*	*			trans	-144.9	113.5	147.1	0	0	0	0	0	109.4
117	E	34.3	Very low	33.9	Very low	193 Å²	193	140.8 Å²	140.8	90%	0.902	81%	0.811	S	S	*	*			trans	-68.6	160.8	-161.2	-61.5	170.9	103.4	0	0	117.2
118	A	34.3	Very low	33.6	Very low	87 Å²	87	144 Å²	144	72%	0.719	82%	0.815	S	S	*	*			trans	55	107.7	146.4	0	0	0	0	0	120.1
119	I	36.7	Very low	33.5	Very low	170 Å²	170	146.5 Å²	146.5	87%	0.872	82%	0.818	S	S	*	*				-162.9	117.5	95.9	-91.2	152.1	0	0	0	109.1
120	E	34	Very low	33.5	Very low	170 Å²	170	151.4 Å²	151.4	79%	0.794	82%	0.818	S	S	*	*			trans	-95.2	177.4	167.9	-53.2	-170.7	113.8	0	0	109.8
121	L	34.2	Very low	33.6	Very low	141 Å²	141	149.4 Å²	149.4	74%	0.738	80%	0.804	S	S	*	*			cis	-156.8	168.4	7.2	-163.2	70	0	0	0	109.2
122	A	36.5	Very low	33.8	Very low	79 Å²	79	152.4 Å²	152.4	65%	0.653	81%	0.805	S	S	*	*			trans	63.8	122.2	154.8	0	0	0	0	0	118.6
123	V	34.8	Very low	34.4	Very low	135 Å²	135	154.4 Å²	154.4	82%	0.818	80%	0.802	S	S	*	*				68.1	117.3	51.9	-178.9	0	0	0	0	114.1
124	V	41.5	Very low	35	Very low	138 Å²	138	155.1 Å²	155.1	84%	0.836	79%	0.793	S	S	*	*				-163.1	145.4	128.2	136.5	0	0	0	0	110.6
125	K	35.2	Very low	35.4	Very low	210 Å²	210	157.1 Å²	157.1	91%	0.913	79%	0.79	S	S	*	*			trans	-102.8	120.9	178.3	-153.9	170.6	-172.8	172.5	0	108.3
126	G	28.5	Very low	35.9	Very low	71 Å²	71	156.6 Å²	156.6	73%	0.732	79%	0.787	S	S	*	*			trans	-77.5	175	-161.7	0	0	0	0	0	117.5
127	R	34.1	Very low	36.3	Very low	259 Å²	259	159.7 Å²	159.7	98%	0.977	78%	0.783	S	S	*	*			trans	-145.5	160.9	167.1	-104.6	-176	176.3	-163.1	-0.6	111.6
128	R	30.1	Very low	36.6	Very low	239 Å²	239	154.9 Å²	154.9	90%	0.902	77%	0.771	S	S	*	*			trans	-81.5	146.5	-177	-57.8	169.6	174.6	168	-4.9	112.1
129	Q	36	Very low	37	Very low	159 Å²	159	159.2 Å²	159.2	74%	0.743	78%	0.777	S	S	*	*				170.1	145.2	109.4	-92.8	-173.4	19.9	0	0	113
130	R	34.5	Very low	37.2	Very low	192 Å²	192	156.1 Å²	156.1	73%	0.725	77%	0.768	S	S	*	*			trans	47.7	145.7	138	-59.3	-178.3	123.8	151.3	-0.3	120.6
131	E	35.2	Very low	37.4	Very low	124 Å²	124	155.2 Å²	155.2	58%	0.579	77%	0.767	S	S	*	*			cis	-170.1	174.5	-7.9	-112.8	167.9	-157.1	0	0	107.9
132	R	36.1	Very low	37.7	Very low	219 Å²	219	159.7 Å²	159.7	83%	0.826	78%	0.775	S	S	*	*			trans	76.6	119.3	170.4	-44.3	-172.9	-176.1	-177.7	-0.7	114.8
133	H	42.6	Very low	37.8	Very low	172 Å²	172	160 Å²	160	80%	0.796	78%	0.777	S	S	*	*			cis	100	149.8	45.3	-78.4	-56.6	0	0	0	111.8
134	P	42.1	Very low	38.2	Very low	91 Å²	91	159.2 Å²	159.2	59%	0.591	78%	0.777	S	S	*	*			cis	-148.1	-178.2	-49.1	43.8	-25.5	0	0	0	115.9
135	H	38.4	Very low	38.5	Very low	158 Å²	158	158.8 Å²	158.8	73%	0.731	78%	0.778	S	S	*	*			trans	53.9	124	149.7	-54.2	-44	0	0	0	124.4
136	H	40.8	Very low	38.7	Very low	181 Å²	181	152.5 Å²	152.5	84%	0.838	77%	0.772	S	S	*	*				-151.6	132.5	119.3	-83.2	-74.9	0	0	0	106.5
137	H	42.1	Very low	39.3	Very low	165 Å²	165	154.6 Å²	154.6	76%	0.764	78%	0.776	S	S	*	*				51	135.3	78.7	-73.9	-74.9	0	0	0	114.4
138	S	40.5	Very low	39.7	Very low	93 Å²	93	147 Å²	147	65%	0.65	76%	0.763	S	S	*	*			cis	-173	178	-9.8	42.9	0	0	0	0	108
139	Q	42.8	Very low	40.3	Very low	177 Å²	177	145.6 Å²	145.6	83%	0.827	76%	0.757	S	S	*	*			cis	-161.9	165.7	7.5	-139.2	155.2	-30.1	0	0	109.7
140	P	41.4	Very low	40.7	Very low	106 Å²	106	144.2 Å²	144.2	69%	0.688	75%	0.751	S	S	*	*			trans	-112.6	172.3	-174.7	38.6	-28	0	0	0	115.9
141	L	38.3	Very low	41	Very low	150 Å²	150	141.1 Å²	141.1	79%	0.785	75%	0.748	S	S	*	*			trans	141.6	140.4	140.4	-77.9	165.3	0	0	0	116.9
142	R	39.5	Very low	41.4	Very low	236 Å²	236	143.5 Å²	143.5	89%	0.891	76%	0.763	S	S	*	*			trans	65.4	156.9	150.2	-71	175.4	179.6	-170.4	-0.3	118.9
143	A	40	Very low	41.6	Very low	86 Å²	86	137.7 Å²	137.7	71%	0.711	76%	0.756	S	S	*	*			cis	-170.5	175.7	-20.6	0	0	0	0	0	111.8
144	S	43.5	Very low	41.6	Very low	117 Å²	117	141.4 Å²	141.4	82%	0.818	76%	0.763	S	S	*	*			trans	112	153.8	146.7	-58.9	0	0	0	0	120
145	P	46.1	Very low	41.4	Very low	130 Å²	130	143.1 Å²	143.1	84%	0.844	78%	0.775	S	S	*	*			trans	-134.8	176.4	-154.9	42.4	-24	0	0	0	118.3
146	G	40.2	Very low	41.4	Very low	77 Å²	77	141.1 Å²	141.1	79%	0.794	78%	0.777	S	S	*	*			trans	106.8	160.8	165.6	0	0	0	0	0	115.6
147	S	40.7	Very low	41.4	Very low	116 Å²	116	140.8 Å²	140.8	81%	0.811	78%	0.776	S	S	*	*			cis	-168.1	159.5	-13.8	-167.8	0	0	0	0	112.3
148	S	42.6	Very low	40.9	Very low	100 Å²	100	138.2 Å²	138.2	70%	0.699	78%	0.777	S	S	*	*			trans	80.6	130.5	153.5	75	0	0	0	0	124
149	R	42.1	Very low	40.8	Very low	209 Å²	209	145.5 Å²	145.5	79%	0.789	79%	0.79	S	S	*	*			trans	64	147.3	144	-65.9	174.9	103	130.5	9.9	119.6
150	E	44.8	Very low	40.4	Very low	129 Å²	129	142 Å²	142	60%	0.603	79%	0.791	S	S	*	*			cis	-154.2	156.6	-1.5	-132.4	155.7	175.3	0	0	114.3
151	D	42	Very low	40.1	Very low	127 Å²	127	140.2 Å²	140.2	68%	0.679	79%	0.792	S	S	*	*			trans	6.3	136.9	162.3	-59.1	-11.3	0	0	0	124.2
152	I	43.8	Very low	40	Very low	174 Å²	174	137.8 Å²	137.8	89%	0.892	79%	0.788	S	S	*	*				-164.7	147.8	99.8	-95.5	164.2	0	0	0	110.5
153	S	38.7	Very low	39.9	Very low	97 Å²	97	137 Å²	137	68%	0.678	79%	0.785	S	S	*	*			trans	-119.1	141.9	-153.9	-45.3	0	0	0	0	115.7
154	R	43.4	Very low	39.9	Very low	250 Å²	250	141.8 Å²	141.8	94%	0.943	79%	0.792	S	S	*	*			trans	-174.3	110.7	143	-109.2	171	-175.1	-165.7	1.4	114.5
155	P	38.5	Very low	39.6	Very low	128 Å²	128	139.7 Å²	139.7	83%	0.831	79%	0.79	S	S	*	*			trans	-136.7	154.5	141.5	37.5	-25.7	0	0	0	113.1
156	C	37.8	Very low	39.4	Very low	116 Å²	116	138.6 Å²	138.6	78%	0.784	79%	0.785	S	S	*	*			trans	-153.1	95.9	171.9	-162	0	0	0	0	107.5
157	Q	40.1	Very low	39.4	Very low	173 Å²	173	142.8 Å²	142.8	81%	0.808	78%	0.781	S	S	*	*				77	129.8	88.2	-75.3	-164.6	4.2	0	0	115.4
158	S	31.7	Very low	39.5	Very low	112 Å²	112	143.8 Å²	143.8	78%	0.783	77%	0.773	S	S	*	*			trans	-76.1	153.8	175.5	52.7	0	0	0	0	112.9
159	W	38.1	Very low	39.3	Very low	246 Å²	246	144.6 Å²	144.6	93%	0.932	78%	0.778	S	S	*	*			trans	-117.4	130.9	165.5	-90.9	67.5	0	0	0	112
160	A	35	Very low	39.3	Very low	103 Å²	103	140.7 Å²	140.7	85%	0.851	78%	0.779	S	S	*	*			trans	-145.7	125.9	166.6	0	0	0	0	0	108
161	G	35.3	Very low	39.1	Very low	69 Å²	69	138.1 Å²	138.1	71%	0.711	79%	0.788	S	S	*	*			trans	163.4	81.8	-179.2	0	0	0	0	0	118.4
162	S	35.7	Very low	38.9	Very low	99 Å²	99	137.9 Å²	137.9	69%	0.692	80%	0.795	S	S	*	*				56.2	115.5	121.7	174	0	0	0	0	122.1
163	R	38	Very low	38.6	Very low	219 Å²	219	134.1 Å²	134.1	83%	0.826	79%	0.789	S	S	*	*			trans	99.3	139.9	136.6	-76.6	167.3	-166.8	-95.7	-2.2	122.5
164	Q	40.2	Very low	38.5	Very low	186 Å²	186	137.7 Å²	137.7	87%	0.869	80%	0.795	S	S	*	*			trans	69.3	136.2	158	-70.4	168.6	-11.6	0	0	118.5
165	G	36.1	Very low	38.2	Very low	74 Å²	74	133.1 Å²	133.1	76%	0.763	79%	0.789	S	S	*	*			cis	175.6	147.5	-11	0	0	0	0	0	116.7
166	S	42.4	Very low	38	Very low	107 Å²	107	133.5 Å²	133.5	75%	0.748	79%	0.788	S	S	*	*			trans	42.4	123.8	156.2	-154.8	0	0	0	0	122.6
167	K	41	Very low	38	Very low	164 Å²	164	133.7 Å²	133.7	71%	0.713	79%	0.788	S	S	*	*				-164.7	119.7	109.2	-96.7	-164.5	175	-68.7	0	109
168	E	41.9	Very low	37.7	Very low	137 Å²	137	128.6 Å²	128.6	64%	0.64	78%	0.782	S	S	*	*				72.4	132.1	97.5	-72.1	164	-147.4	0	0	113.7
169	C	38.5	Very low	38.5	Very low	118 Å²	118	129.6 Å²	129.6	80%	0.797	79%	0.786	S	S	*	*			cis	-145.6	171.8	13.4	-111.4	0	0	0	0	113.7
170	P	42.2	Very low	38.5	Very low	126 Å²	126	123.9 Å²	123.9	82%	0.818	78%	0.784	S	S	*	*			trans	-112.8	174.9	-160.1	42.3	-35.8	0	0	0	116.9
171	G	41	Very low	38.6	Very low	76 Å²	76	124.3 Å²	124.3	78%	0.784	78%	0.78	S	S	*	*			trans	-172.5	93.7	171.7	0	0	0	0	0	115.9
172	C	37.4	Very low	38.7	Very low	122 Å²	122	132.9 Å²	132.9	82%	0.824	79%	0.791	S	S	*	*			trans	-27.4	142.1	171.8	-57.5	0	0	0	0	118.2
173	A	38.4	Very low	38.8	Very low	94 Å²	94	131.6 Å²	131.6	78%	0.777	79%	0.787	S	S	*	*				67	134.5	57.6	0	0	0	0	0	113
174	Q	36.6	Very low	38.5	Very low	172 Å²	172	131.3 Å²	131.3	80%	0.804	79%	0.792	S	S	*	*			cis	-167.6	176.9	-1.4	-166.3	176.2	10.5	0	0	109.8
175	L	37.3	Very low	38.5	Very low	154 Å²	154	126.3 Å²	126.3	81%	0.806	79%	0.79	S	S	*	*			trans	95.2	152.3	158.6	-55	174.3	0	0	0	121.1
176	V	34	Very low	38.6	Very low	136 Å²	136	130.6 Å²	130.6	82%	0.824	80%	0.795	S	S	*	*			trans	-149.3	142	-171.2	166.5	0	0	0	0	104.3
177	P	38.1	Very low	38.3	Very low	121 Å²	121	134.2 Å²	134.2	79%	0.786	80%	0.8	S	S	*	*				-147.4	-175.4	56.6	37.4	-14.3	0	0	0	117.2
178	G	33.7	Very low	38.3	Very low	66 Å²	66	134.6 Å²	134.6	68%	0.68	80%	0.804	S	S	*	*			trans	-103.1	-148.5	160.2	0	0	0	0	0	111.4
179	P	47.6	Very low	38.5	Very low	132 Å²	132	133.3 Å²	133.3	86%	0.857	81%	0.808	S	S	*	*			cis	-130	174	-12	41.7	-27.1	0	0	0	113.8
180	S	38.4	Very low	38.4	Very low	126 Å²	126	133.8 Å²	133.8	88%	0.881	81%	0.809	S	S	*	*			trans	-153.8	142.8	165.9	66.1	0	0	0	0	116.7
181	S	35.9	Very low	38.2	Very low	112 Å²	112	135.6 Å²	135.6	78%	0.783	81%	0.811	S	S	*	*			trans	-82.4	150.2	-170.5	-37.8	0	0	0	0	116
182	R	37.5	Very low	38.1	Very low	250 Å²	250	137.3 Å²	137.3	94%	0.943	81%	0.808	S	S	*	*			trans	158.5	160	134.4	-89.2	163.9	175.4	177.9	-0.5	112
183	A	38.1	Very low	38.2	Very low	72 Å²	72	141.1 Å²	141.1	60%	0.595	81%	0.814	S	S	*	*			cis	-172.4	149	-35.9	0	0	0	0	0	111.3
184	F	32.6	Very low	38.1	Very low	212 Å²	212	141 Å²	141	93%	0.93	81%	0.813	S	S	*	*			trans	62.9	143.3	162.4	-63.9	-66.8	0	0	0	121.8
185	G	40.9	Very low	38.1	Very low	81 Å²	81	139 Å²	139	84%	0.835	82%	0.815	S	S	*	*			trans	159.2	97.6	174.5	0	0	0	0	0	110.5
186	L	37.1	Very low	37.8	Very low	165 Å²	165	135.1 Å²	135.1	86%	0.864	81%	0.812	S	S	*	*			trans	-115.4	138.8	-175	-82	165.9	0	0	0	111.6
187	E	36.9	Very low	38	Very low	183 Å²	183	140.5 Å²	140.5	86%	0.855	82%	0.818	S	S	*	*			trans	-161.9	164.2	145.5	-113.7	-70	57.4	0	0	111.1
188	Q	39.4	Very low	37.9	Very low	172 Å²	172	143.9 Å²	143.9	80%	0.804	82%	0.823	S	S	*	*			trans	-108.5	162.9	-161.4	-75.6	-168.1	-2.8	0	0	117.3
189	P	46.5	Very low	38.3	Very low	110 Å²	110	150.5 Å²	150.5	71%	0.714	83%	0.833	S	S	*	*			trans	-108.6	178	-179.3	42.3	-35.7	0	0	0	114
190	P	38	Very low	37.8	Very low	128 Å²	128	153.4 Å²	153.4	83%	0.831	83%	0.832	S	S	*	*			trans	-120.3	164.6	151.6	26.4	-9.2	0	0	0	114.8
191	L	37.5	Very low	38	Very low	164 Å²	164	155.1 Å²	155.1	86%	0.859	83%	0.83	S	S	*	*			trans	-107.9	-164.9	-179.7	-71.2	161.4	0	0	0	110
192	P	39.2	Very low	38.1	Very low	111 Å²	111	158 Å²	158	72%	0.721	83%	0.832	S	S	*	*				-134.1	154	-71.5	39.1	-24.3	0	0	0	113.9
193	E	39	Very low	38.4	Very low	203 Å²	203	158 Å²	158	95%	0.949	83%	0.831	S	S	*	*			trans	-144.1	159.8	161	-78.4	-152.6	147.5	0	0	113.6
194	A	35.9	Very low	38.4	Very low	90 Å²	90	162.3 Å²	162.3	74%	0.744	84%	0.841	S	S	*	*			trans	-147	149.7	172.6	0	0	0	0	0	109.2
195	P	36.3	Very low	38.7	Very low	131 Å²	131	163 Å²	163	85%	0.851	84%	0.839	S	S	*	*				-149.5	150.7	104.2	36.9	-20.8	0	0	0	117
196	G	31.6	Very low	38.9	Very low	73 Å²	73	164.3 Å²	164.3	75%	0.753	84%	0.836	S	S	*	*			trans	53.4	109	135.7	0	0	0	0	0	121.5
197	R	38.1	Very low	39	Very low	248 Å²	248	162.9 Å²	162.9	94%	0.936	83%	0.834	S	S	*	*			trans	-144	128.1	142.5	-106.2	172.4	-168.1	-118.2	-0.3	110.8
198	H	36.8	Very low	39.4	Very low	192 Å²	192	162 Å²	162	89%	0.889	84%	0.835	S	S	*	*			trans	-76.1	123.8	-178.9	-72.5	-118.8	0	0	0	110.8	K200	H198-K200 PolarHBondContact O-N 3.36Å
199	K	41.3	Very low	39.4	Very low	205 Å²	205	157 Å²	157	89%	0.891	83%	0.83	S	S	*	*			trans	-77.7	102.4	164.7	-78.7	-171.4	173	-175.9	0	109.6	L201	K199-L201 PolarHBondContact O-N 3.03Å
200	K	37.5	Very low	39.1	Very low	193 Å²	193	159.1 Å²	159.1	84%	0.839	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-68.9	119.1	169.2	-179.8	-176.1	179.2	-172.5	0	108.2	H198 E202	H198-K200 PolarHBondContact O-N 3.36Å; K200-E202 PolarHBondContact O-N 3.07Å
201	L	41.1	Very low	39.1	Very low	163 Å²	163	157.5 Å²	157.5	85%	0.853	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-69	130.6	168.9	-102.2	78.3	0	0	0	109.4	K199	K199-L201 PolarHBondContact O-N 3.03Å
202	E	39.2	Very low	39.3	Very low	173 Å²	173	156.2 Å²	156.2	81%	0.808	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-72.5	145	168.9	-70.3	166.4	100.1	0	0	110.6	K200	K200-E202 PolarHBondContact O-N 3.07Å
203	R	42.7	Very low	39.3	Very low	248 Å²	248	158.7 Å²	158.7	94%	0.936	83%	0.833	S	S	*	*			trans	-103.4	105.8	157.2	-83.3	-172	170.6	90.8	-4.4	106.9	Y205	R203-Y205 PolarHBondContact O-N 3.22Å
204	M	38.2	Very low	39.9	Very low	164 Å²	164	154.7 Å²	154.7	81%	0.808	82%	0.822	S	S	*	*			trans	-74.3	113.4	163.1	-76.2	160.2	57.7	0	0	108.7
205	Y	39.1	Very low	40.4	Very low	225 Å²	225	155.6 Å²	155.6	88%	0.882	82%	0.821	S	S	*	*			trans	-143.6	106.1	146.9	-113.8	-85.1	0	0	0	105.4	R203	R203-Y205 PolarHBondContact O-N 3.22Å
206	S	45	Very low	40.8	Very low	110 Å²	110	157.2 Å²	157.2	77%	0.769	82%	0.82	S	S	*	*			trans	-68.7	140.8	-177.8	-56.2	0	0	0	0	110.2
207	V	40	Very low	41.4	Very low	134 Å²	134	164.7 Å²	164.7	81%	0.812	83%	0.826	S	S	*	*			trans	-103.3	105.5	170.3	176.3	0	0	0	0	107.2
208	D	44.8	Very low	41.5	Very low	164 Å²	164	158.3 Å²	158.3	88%	0.877	82%	0.815	S	S	*	*			trans	-83.2	135.8	154.2	-74.7	-50	0	0	0	107.9
209	G	39.3	Very low	41.8	Very low	68 Å²	68	160.4 Å²	160.4	70%	0.701	82%	0.815	S	S	*	*			trans	-133.7	139	-177.1	0	0	0	0	0	111.7
210	V	40	Very low	41.8	Very low	155 Å²	155	158.5 Å²	158.5	94%	0.939	81%	0.807	S	S	*	*			trans	-133.3	155.9	165.2	-175.4	0	0	0	0	107.9
211	S	38	Very low	42.3	Very low	94 Å²	94	154.4 Å²	154.4	66%	0.657	80%	0.8	S	S	*	*			trans	-84.4	176	-151.1	-152.1	0	0	0	0	116.9
212	D	41.6	Very low	42.8	Very low	137 Å²	137	156.6 Å²	156.6	73%	0.733	80%	0.803	S	S	*	*			trans	94.4	124.4	147.2	-53.6	-26.6	0	0	0	122.2
213	D	40.2	Very low	43.3	Very low	162 Å²	162	155.4 Å²	155.4	87%	0.866	80%	0.797	S	S	*	*			trans	15.4	103.3	161.6	-73.4	-56.2	0	0	0	121.8
214	V	51.2	Low	43.9	Very low	119 Å²	119	148.3 Å²	148.3	72%	0.721	78%	0.778	S	S	*	*			trans	-137.2	131.9	153.3	-176.6	0	0	0	0	110.5
215	P	46	Very low	44.6	Very low	110 Å²	110	147.4 Å²	147.4	71%	0.714	78%	0.775	S	S	*	*			trans	-63.8	143.8	-176.9	-25.1	34.9	0	0	0	115.3	R217	P215-R217 VanDerWaalsContact C-N 3.34Å; P215-R217 PolarHBondContact O-N 3.09Å
216	I	44.6	Very low	45.4	Very low	164 Å²	164	144 Å²	144	84%	0.841	77%	0.765	S	S	*	*	S	Bend	trans	-70.6	78.6	-178.5	-49.9	173.6	0	0	0	111.2
217	R	44.9	Very low	46.5	Very low	231 Å²	231	141.5 Å²	141.5	87%	0.872	75%	0.748	S	S	*	*			trans	-152.5	13.6	177.5	-119.3	173.2	-164.2	-79.1	-0.9	118.3	P215	P215-R217 VanDerWaalsContact C-N 3.34Å; P215-R217 PolarHBondContact O-N 3.09Å
218	T	40.4	Very low	47.9	Very low	114 Å²	114	140.8 Å²	140.8	70%	0.699	73%	0.734	S	S	*	*			trans	-128.8	31.2	-171.9	45.9	0	0	0	0	115.5	F220	T218-F220 PolarHBondContact O-N 2.9Å
219	W	43.4	Very low	49.3	Very low	236 Å²	236	138.7 Å²	138.7	89%	0.894	72%	0.719	S	S	*	*			trans	-77.1	1.1	175.1	-88.5	92	0	0	0	115.7
220	F	41.2	Very low	51	Low	165 Å²	165	138.9 Å²	138.9	72%	0.724	71%	0.707	S	S	*	*	S	Bend	trans	-113.4	117	171.9	-78.6	-87	0	0	0	110.2	T218 K222	T218-F220 PolarHBondContact O-N 2.9Å; F220-K222 PolarHBondContact O-N 3.22Å
221	P	48.3	Very low	52.8	Low	106 Å²	106	133.7 Å²	133.7	69%	0.688	68%	0.68	S	S	*	*			trans	-56.3	122.2	161.1	-21.6	33.4	0	0	0	109	E223	P221-E223 PolarHBondContact O-N 2.86Å; P221-E223 VanDerWaalsContact O-N 3.14Å
222	K	51	Low	54.9	Low	210 Å²	210	132.6 Å²	132.6	91%	0.913	67%	0.67	S	S	*	*	S	Bend	trans	-78	12.4	-179.6	-82.8	-175.4	171.4	-179.4	0	113.7	F220	F220-K222 PolarHBondContact O-N 3.22Å
223	E	50.2	Low	56.8	Low	148 Å²	148	130.4 Å²	130.4	69%	0.692	66%	0.661	S	S	*	*			trans	-118.8	143.4	-171.8	-69.3	168	-148.8	0	0	109.9	P221	P221-E223 PolarHBondContact O-N 2.86Å; P221-E223 VanDerWaalsContact O-N 3.14Å
224	N	54.9	Low	58.8	Low	99 Å²	99	126.5 Å²	126.5	53%	0.529	64%	0.643	S	S	.	*			trans	73.7	65.5	-179.2	-49.4	-66.5	0	0	0	116.7	F226 S227 F228	N224-F226 PolarHBondContact O-N 3.46Å; N224-F226 VanDerWaalsContact O-N 3.14Å; N224-S227 WeakPolarHBondContact CB-OG 3.43Å; N224-S227 PolarHBondContact O-N 3.46Å; N224-S227 PolarHBondContact O-OG 2.77Å; N224-F228 PolarHBondContact O-N 3Å
225	L	53.2	Low	60.4	Low	145 Å²	145	127.6 Å²	127.6	76%	0.759	64%	0.642	S	S	*	*	H	α-helix	trans	-46.1	-33.8	147.2	-92.8	148.3	0	0	0	111.7	S227 F228 Q229	L225-S227 PolarHBondContact O-N 2.79Å; L225-F228 PolarHBondContact O-N 2.93Å; L225-Q229 WeakPolarHBondContact O-CG 3.22Å; L225-Q229 PolarHBondContact O-N 3.14Å
226	F	55.1	Low	62.2	Low	152 Å²	152	126.8 Å²	126.8	67%	0.667	63%	0.629	S	S	*	*	H	α-helix	trans	-62.3	-34.4	174.2	-156.4	-97.5	0	0	0	113.9	N224 T230	N224-F226 PolarHBondContact O-N 3.46Å; N224-F226 VanDerWaalsContact O-N 3.14Å; F226-T230 VanDerWaalsContact O-CB 3.29Å; F226-T230 WeakPolarHBondContact O-CB 3.32Å; F226-T230 PolarHBondContact O-N 2.92Å; F226-T230 PolarHBondContact O-OG1 3.43Å
227	S	67.6	Low	63.9	Low	59 Å²	59	121.9 Å²	121.9	41%	0.413	61%	0.613	S	S	.	*	H	α-helix	trans	-75	-37.1	177.6	74.4	0	0	0	0	111.1	N224 L225 T230 A231	N224-S227 WeakPolarHBondContact CB-OG 3.43Å; N224-S227 PolarHBondContact O-N 3.46Å; N224-S227 PolarHBondContact O-OG 2.77Å; L225-S227 PolarHBondContact O-N 2.79Å; S227-T230 PolarHBondContact O-N 2.8Å; S227-A231 VanDerWaalsContact O-CB 3.25Å; S227-A231 WeakPolarHBondContact O-CB 2.88Å; S227-A231 PolarHBondContact O-N 3.19Å
228	F	70.4	Confident	65.7	Low	119 Å²	119	115 Å²	115	52%	0.522	60%	0.597	S	S	.	*	H	α-helix	trans	-62	-48.4	171.2	-78.5	-79.1	0	0	0	111.6	N224 L225 T230 A231 T232	N224-F228 PolarHBondContact O-N 3Å; L225-F228 PolarHBondContact O-N 2.93Å; F228-T230 VanDerWaalsContact C-N 3.32Å; F228-T230 PolarHBondContact O-N 2.85Å; F228-A231 PolarHBondContact O-N 3.29Å; F228-T232 WeakPolarHBondContact O-CB 3.49Å; F228-T232 PolarHBondContact O-N 2.82Å; F228-T232 PolarHBondContact O-OG1 3.35Å; F228-T232 VanDerWaalsContact O-OG1 3.1Å
229	Q	73.4	Confident	67.7	Low	120 Å²	120	117 Å²	117	56%	0.561	60%	0.596	S	S	*	*	H	α-helix	trans	-59.8	-41	175.4	-71.5	179.8	1.4	0	0	112.2	L225 T233	L225-Q229 WeakPolarHBondContact O-CG 3.22Å; L225-Q229 PolarHBondContact O-N 3.14Å; Q229-T233 VanDerWaalsContact O-CB 3.28Å; Q229-T233 WeakPolarHBondContact O-CB 3.27Å; Q229-T233 PolarHBondContact O-N 2.7Å; Q229-T233 PolarHBondContact O-OG1 2.95Å
230	T	76.5	Confident	69.5	Low	72 Å²	72	114.1 Å²	114.1	44%	0.442	59%	0.585	S	S	.	*	H	α-helix	trans	-64.8	-43	175.6	-59.7	0	0	0	0	111.8	F226 S227 F228 T233 T234	F226-T230 VanDerWaalsContact O-CB 3.29Å; F226-T230 WeakPolarHBondContact O-CB 3.32Å; F226-T230 PolarHBondContact O-N 2.92Å; F226-T230 PolarHBondContact O-OG1 3.43Å; S227-T230 PolarHBondContact O-N 2.8Å; F228-T230 VanDerWaalsContact C-N 3.32Å; F228-T230 PolarHBondContact O-N 2.85Å; T230-T233 PolarHBondContact O-N 2.79Å; T230-T234 VanDerWaalsContact O-CB 3.31Å; T230-T234 WeakPolarHBondContact O-CB 3.31Å; T230-T234 PolarHBondContact O-N 3.25Å; T230-T234 PolarHBondContact O-OG1 3.3Å
231	A	77.8	Confident	71.5	Confident	45 Å²	45	107.2 Å²	107.2	37%	0.372	56%	0.56	S	S	.	*	H	α-helix	trans	-65.7	-47	178	0	0	0	0	0	111.7	S227 F228 T233 T234 M235	S227-A231 VanDerWaalsContact O-CB 3.25Å; S227-A231 WeakPolarHBondContact O-CB 2.88Å; S227-A231 PolarHBondContact O-N 3.19Å; F228-A231 PolarHBondContact O-N 3.29Å; A231-T233 PolarHBondContact O-N 3.27Å; A231-T234 PolarHBondContact O-N 3.25Å; A231-M235 WeakPolarHBondContact O-CG 3.48Å; A231-M235 PolarHBondContact O-N 2.94Å
232	T	80.9	Confident	73.2	Confident	72 Å²	72	108.5 Å²	108.5	44%	0.442	55%	0.552	S	S	.	*	H	α-helix	trans	-59.4	-45.8	174.7	-60.5	0	0	0	0	111.2	F228 T234 M235 Q236	F228-T232 WeakPolarHBondContact O-CB 3.49Å; F228-T232 PolarHBondContact O-N 2.82Å; F228-T232 PolarHBondContact O-OG1 3.35Å; F228-T232 VanDerWaalsContact O-OG1 3.1Å; T232-T234 VanDerWaalsContact C-N 3.34Å; T232-T234 PolarHBondContact O-N 2.79Å; T232-M235 PolarHBondContact O-N 2.71Å; T232-Q236 WeakPolarHBondContact O-CB 3.17Å; T232-Q236 VanDerWaalsContact O-CG 3.32Å; T232-Q236 WeakPolarHBondContact O-CG 3.39Å; T232-Q236 PolarHBondContact O-N 2.93Å
233	T	82.3	Confident	74.6	Confident	90 Å²	90	101.2 Å²	101.2	55%	0.552	53%	0.531	S	S	*	.	H	α-helix	trans	-61.6	-42.7	176.8	-58.4	0	0	0	0	111.4	Q229 T230 A231 Q236 A237	Q229-T233 VanDerWaalsContact O-CB 3.28Å; Q229-T233 WeakPolarHBondContact O-CB 3.27Å; Q229-T233 PolarHBondContact O-N 2.7Å; Q229-T233 PolarHBondContact O-OG1 2.95Å; T230-T233 PolarHBondContact O-N 2.79Å; A231-T233 PolarHBondContact O-N 3.27Å; T233-Q236 PolarHBondContact O-N 2.98Å; T233-A237 WeakPolarHBondContact O-CB 3.5Å; T233-A237 PolarHBondContact O-N 3.1Å
234	T	82.1	Confident	76.3	Confident	81 Å²	81	97.4 Å²	97.4	50%	0.497	51%	0.513	S	S	.	.	H	α-helix	trans	-63.5	-46.1	176.9	-59	0	0	0	0	111.6	T230 A231 T232 A237 V238	T230-T234 VanDerWaalsContact O-CB 3.31Å; T230-T234 WeakPolarHBondContact O-CB 3.31Å; T230-T234 PolarHBondContact O-N 3.25Å; T230-T234 PolarHBondContact O-OG1 3.3Å; A231-T234 PolarHBondContact O-N 3.25Å; T232-T234 VanDerWaalsContact C-N 3.34Å; T232-T234 PolarHBondContact O-N 2.79Å; T234-A237 PolarHBondContact O-N 3.35Å; T234-V238 WeakPolarHBondContact O-CB 3.21Å; T234-V238 VanDerWaalsContact O-CG2 3.31Å; T234-V238 WeakPolarHBondContact O-CG2 3.26Å; T234-V238 PolarHBondContact O-N 3.11Å
235	M	83.8	Confident	77.8	Confident	142 Å²	142	99.5 Å²	99.5	70%	0.7	51%	0.514	S	S	*	.	H	α-helix	trans	-61.6	-44.3	175.9	-72.7	-177	177.6	0	0	111.7	A231 T232 A237 V238 F239	A231-M235 WeakPolarHBondContact O-CG 3.48Å; A231-M235 PolarHBondContact O-N 2.94Å; T232-M235 PolarHBondContact O-N 2.71Å; M235-A237 PolarHBondContact O-N 3.02Å; M235-V238 PolarHBondContact O-N 3.42Å; M235-F239 WeakPolarHBondContact O-CB 3.46Å; M235-F239 PolarHBondContact O-N 3.37Å
236	Q	83.9	Confident	79.4	Confident	92 Å²	92	98.5 Å²	98.5	43%	0.43	50%	0.503	S	S	.	.	H	α-helix	trans	-62.3	-42.3	175.6	-72.6	-174.5	25.9	0	0	112.1	T232 T233 F239 R240	T232-Q236 WeakPolarHBondContact O-CB 3.17Å; T232-Q236 VanDerWaalsContact O-CG 3.32Å; T232-Q236 WeakPolarHBondContact O-CG 3.39Å; T232-Q236 PolarHBondContact O-N 2.93Å; T233-Q236 PolarHBondContact O-N 2.98Å; Q236-F239 PolarHBondContact O-N 2.64Å; Q236-R240 WeakPolarHBondContact O-CB 3.2Å; Q236-R240 VanDerWaalsContact O-CG 3.27Å; Q236-R240 WeakPolarHBondContact O-CG 3.38Å; Q236-R240 PolarHBondContact O-N 2.72Å
237	A	80.4	Confident	81	Confident	61 Å²	61	97.6 Å²	97.6	50%	0.504	50%	0.495	S	S	.	.	H	α-helix	trans	-64.3	-42.9	176.6	0	0	0	0	0	112	T233 T234 M235 F239 G241	T233-A237 WeakPolarHBondContact O-CB 3.5Å; T233-A237 PolarHBondContact O-N 3.1Å; T234-A237 PolarHBondContact O-N 3.35Å; M235-A237 PolarHBondContact O-N 3.02Å; A237-F239 PolarHBondContact O-N 2.84Å; A237-G241 PolarHBondContact O-N 2.63Å
238	V	82.5	Confident	81.9	Confident	88 Å²	88	101.7 Å²	101.7	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-61.5	-42.7	175	169.3	0	0	0	0	111.2	T234 M235 Y242 R245	T234-V238 WeakPolarHBondContact O-CB 3.21Å; T234-V238 VanDerWaalsContact O-CG2 3.31Å; T234-V238 WeakPolarHBondContact O-CG2 3.26Å; T234-V238 PolarHBondContact O-N 3.11Å; M235-V238 PolarHBondContact O-N 3.42Å; V238-Y242 WeakPolarHBondContact O-CB 3.4Å; V238-Y242 PolarHBondContact O-N 3.09Å; V238-R245 PolarHBondContact O-NH2 3.31Å
239	F	82.9	Confident	82.9	Confident	154 Å²	154	102.5 Å²	102.5	68%	0.675	51%	0.505	S	S	*	.	H	α-helix	trans	-72.1	-48.2	-179.2	-169.7	-94.1	0	0	0	113.1	M235 Q236 A237 G241 Y242 A243	M235-F239 WeakPolarHBondContact O-CB 3.46Å; M235-F239 PolarHBondContact O-N 3.37Å; Q236-F239 PolarHBondContact O-N 2.64Å; A237-F239 PolarHBondContact O-N 2.84Å; F239-G241 VanDerWaalsContact C-N 3.27Å; F239-G241 PolarHBondContact O-N 2.93Å; F239-Y242 WeakPolarHBondContact O-CA 3.31Å; F239-Y242 WeakPolarHBondContact O-CB 3.38Å; F239-Y242 PolarHBondContact O-N 3.02Å; F239-A243 PolarHBondContact O-N 2.68Å; F239-A243 VanDerWaalsContact O-N 3.1Å
240	R	81	Confident	83.6	Confident	176 Å²	176	104.6 Å²	104.6	66%	0.664	51%	0.508	S	S	*	.	H	α-helix	trans	-57.2	-43.8	172.7	-70.2	177.3	-172.9	-156.9	6.1	110.6	Q236 Y242 A243 E244	Q236-R240 WeakPolarHBondContact O-CB 3.2Å; Q236-R240 VanDerWaalsContact O-CG 3.27Å; Q236-R240 WeakPolarHBondContact O-CG 3.38Å; Q236-R240 PolarHBondContact O-N 2.72Å; R240-Y242 VanDerWaalsContact C-N 3.31Å; R240-Y242 PolarHBondContact O-N 3.28Å; R240-A243 PolarHBondContact O-N 3.06Å; R240-E244 PolarHBondContact O-N 3.09Å
241	G	82.7	Confident	84.2	Confident	20 Å²	20	105 Å²	105	21%	0.206	51%	0.505	C	S	.	.	H	α-helix	trans	-63	-31.2	173.1	0	0	0	0	0	113.8	A237 F239 R245	A237-G241 PolarHBondContact O-N 2.63Å; F239-G241 VanDerWaalsContact C-N 3.27Å; F239-G241 PolarHBondContact O-N 2.93Å; G241-R245 VanDerWaalsContact C-NH2 3.33Å; G241-R245 VanDerWaalsContact O-CB 3.31Å; G241-R245 WeakPolarHBondContact O-CB 3.18Å; G241-R245 WeakPolarHBondContact O-CG 3.23Å; G241-R245 VanDerWaalsContact O-CZ 3.25Å; G241-R245 PolarHBondContact O-N 3.08Å; G241-R245 PolarHBondContact O-NE 3.3Å
242	Y	84.4	Confident	84.7	Confident	133 Å²	133	108.2 Å²	108.2	52%	0.522	52%	0.516	S	S	.	.	H	α-helix	trans	-68.9	-42.1	175.8	176	-89.1	0	0	0	111.4	V238 F239 R240 R245 K246	V238-Y242 WeakPolarHBondContact O-CB 3.4Å; V238-Y242 PolarHBondContact O-N 3.09Å; F239-Y242 WeakPolarHBondContact O-CA 3.31Å; F239-Y242 WeakPolarHBondContact O-CB 3.38Å; F239-Y242 PolarHBondContact O-N 3.02Å; R240-Y242 VanDerWaalsContact C-N 3.31Å; R240-Y242 PolarHBondContact O-N 3.28Å; Y242-R245 VanDerWaalsContact N-NH2 3.16Å; Y242-R245 PolarHBondContact O-N 3.35Å; Y242-K246 HydrophobicContact CE1-CD 4.01Å; Y242-K246 WeakPolarHBondContact O-CB 2.91Å; Y242-K246 PolarHBondContact O-N 2.83Å
243	A	81.5	Confident	85.1	Confident	57 Å²	57	109 Å²	109	47%	0.471	52%	0.517	S	S	.	.	H	α-helix	trans	-59.8	-47.6	174.8	0	0	0	0	0	111.6	F239 R240 K246 R247	F239-A243 PolarHBondContact O-N 2.68Å; F239-A243 VanDerWaalsContact O-N 3.1Å; R240-A243 PolarHBondContact O-N 3.06Å; A243-K246 CarbonylContact O-C 3.53Å; A243-K246 PolarHBondContact O-N 3.38Å; A243-R247 PolarHBondContact O-N 2.86Å
244	E	84.5	Confident	85.4	Confident	69 Å²	69	108 Å²	108	32%	0.322	51%	0.514	S	S	.	.	H	α-helix	trans	-64.9	-42.2	176.6	177.4	62.8	178	0	0	112	R240 K246 R247 R248	R240-E244 PolarHBondContact O-N 3.09Å; E244-K246 VanDerWaalsContact C-N 3.29Å; E244-K246 PolarHBondContact O-N 3.46Å; E244-R247 WeakPolarHBondContact O-CB 3.33Å; E244-R247 PolarHBondContact O-N 2.86Å; E244-R247 VanDerWaalsContact O-N 3.11Å; E244-R247 WeakPolarHBondContact OE2-CD 3.41Å; E244-R248 HydrophobicContact CG-CG 4.34Å; E244-R248 WeakPolarHBondContact O-CG 3.24Å; E244-R248 PolarHBondContact O-N 3.42Å; E244-R248 IonicContact OE1-CZ 3.97Å; E244-R248 IonicContact OE1-NE 2.72Å; E244-R248 PolarHBondContact OE1-NE 3.43Å; E244-R248 IonicContact OE1-NH2 3.66Å; E244-R248 PolarHBondContact OE1-NH2 3.11Å
245	R	86.5	Confident	85.7	Confident	142 Å²	142	105.8 Å²	105.8	54%	0.536	50%	0.504	S	S	.	.	H	α-helix	trans	-59.6	-38.6	173	-74.7	180	-63.3	-98.9	3.2	112	V238 G241 Y242 K249	V238-R245 PolarHBondContact O-NH2 3.31Å; G241-R245 VanDerWaalsContact C-NH2 3.33Å; G241-R245 VanDerWaalsContact O-CB 3.31Å; G241-R245 WeakPolarHBondContact O-CB 3.18Å; G241-R245 WeakPolarHBondContact O-CG 3.23Å; G241-R245 VanDerWaalsContact O-CZ 3.25Å; G241-R245 PolarHBondContact O-N 3.08Å; G241-R245 PolarHBondContact O-NE 3.3Å; Y242-R245 VanDerWaalsContact N-NH2 3.16Å; Y242-R245 PolarHBondContact O-N 3.35Å; R245-K249 WeakPolarHBondContact O-CB 3.29Å; R245-K249 PolarHBondContact O-N 2.79Å
246	K	87.5	Confident	86	Confident	124 Å²	124	101.4 Å²	101.4	54%	0.539	49%	0.487	S	S	.	.	H	α-helix	trans	-72.6	-24.9	175.9	-170.3	176.1	178.4	-177.5	0	112.8	Y242 A243 E244 R250	Y242-K246 HydrophobicContact CE1-CD 4.01Å; Y242-K246 WeakPolarHBondContact O-CB 2.91Å; Y242-K246 PolarHBondContact O-N 2.83Å; A243-K246 CarbonylContact O-C 3.53Å; A243-K246 PolarHBondContact O-N 3.38Å; E244-K246 VanDerWaalsContact C-N 3.29Å; E244-K246 PolarHBondContact O-N 3.46Å; K246-R250 PolarHBondContact O-NE 3.12Å
247	R	88.7	Confident	86.4	Confident	133 Å²	133	100.6 Å²	100.6	50%	0.502	49%	0.488	S	S	.	.	H	α-helix	trans	-72.4	-59.3	167.9	-179.9	-173.5	170.4	170.5	0.8	111	A243 E244 K249 R250 E251	A243-R247 PolarHBondContact O-N 2.86Å; E244-R247 WeakPolarHBondContact O-CB 3.33Å; E244-R247 PolarHBondContact O-N 2.86Å; E244-R247 VanDerWaalsContact O-N 3.11Å; E244-R247 WeakPolarHBondContact OE2-CD 3.41Å; R247-K249 PolarHBondContact O-N 2.59Å; R247-K249 VanDerWaalsContact O-N 3.14Å; R247-R250 WeakPolarHBondContact O-CB 3.48Å; R247-R250 PolarHBondContact O-N 2.72Å; R247-E251 IonicContact CZ-OE1 3.63Å; R247-E251 IonicContact NE-OE1 2.59Å; R247-E251 PolarHBondContact NE-OE1 2.84Å; R247-E251 IonicContact NH2-OE1 3.92Å; R247-E251 PolarHBondContact NH2-OE1 3.11Å; R247-E251 PolarHBondContact O-N 2.61Å; R247-E251 VanDerWaalsContact O-N 3.1Å
248	R	86.9	Confident	86.8	Confident	145 Å²	145	103.2 Å²	103.2	55%	0.547	49%	0.493	S	S	.	.	H	α-helix	trans	-52.8	-37.5	179.1	-67.2	-69.5	-178.6	103.9	16.9	112.8	E244 E251 N252	E244-R248 HydrophobicContact CG-CG 4.34Å; E244-R248 WeakPolarHBondContact O-CG 3.24Å; E244-R248 PolarHBondContact O-N 3.42Å; E244-R248 IonicContact OE1-CZ 3.97Å; E244-R248 IonicContact OE1-NE 2.72Å; E244-R248 PolarHBondContact OE1-NE 3.43Å; E244-R248 IonicContact OE1-NH2 3.66Å; E244-R248 PolarHBondContact OE1-NH2 3.11Å; R248-E251 PolarHBondContact O-N 2.96Å; R248-N252 WeakPolarHBondContact O-CB 3.47Å; R248-N252 PolarHBondContact O-N 2.96Å
249	K	90.7	Very high	87.2	Confident	136 Å²	136	104.9 Å²	104.9	59%	0.591	50%	0.495	S	S	*	.	H	α-helix	trans	-61.1	-48.1	175	-174.1	179.9	176	-173.8	0	111.9	R245 R247 E251 N252 D253	R245-K249 WeakPolarHBondContact O-CB 3.29Å; R245-K249 PolarHBondContact O-N 2.79Å; R247-K249 PolarHBondContact O-N 2.59Å; R247-K249 VanDerWaalsContact O-N 3.14Å; K249-E251 VanDerWaalsContact C-N 3.34Å; K249-E251 PolarHBondContact O-N 3.31Å; K249-N252 PolarHBondContact O-N 2.85Å; K249-D253 VanDerWaalsContact CE-OD2 3.29Å; K249-D253 WeakPolarHBondContact CE-OD2 3.43Å; K249-D253 WeakPolarHBondContact CG-OD2 3.25Å; K249-D253 WeakPolarHBondContact O-CB 3.36Å; K249-D253 VanDerWaalsContact O-CG 3.31Å; K249-D253 PolarHBondContact O-N 3.07Å
250	R	89.3	Confident	87.5	Confident	164 Å²	164	105.5 Å²	105.5	62%	0.619	49%	0.493	S	S	*	.	H	α-helix	trans	-60.7	-44	177.6	-72.7	-179.6	-72.9	159.2	-1.7	111.4	K246 R247 N252 D253 S254	K246-R250 PolarHBondContact O-NE 3.12Å; R247-R250 WeakPolarHBondContact O-CB 3.48Å; R247-R250 PolarHBondContact O-N 2.72Å; R250-N252 PolarHBondContact O-N 3.03Å; R250-D253 PolarHBondContact O-N 3.36Å; R250-S254 WeakPolarHBondContact O-CB 3.42Å; R250-S254 PolarHBondContact O-N 2.9Å; R250-S254 PolarHBondContact O-OG 2.93Å; R250-S254 VanDerWaalsContact O-OG 3.06Å
251	E	88.3	Confident	87.9	Confident	82 Å²	82	101.5 Å²	101.5	38%	0.383	49%	0.485	S	S	.	.	H	α-helix	trans	-61.3	-42.1	177.6	-66.6	166.6	162.4	0	0	111.8	R247 R248 K249 A255	R247-E251 IonicContact CZ-OE1 3.63Å; R247-E251 IonicContact NE-OE1 2.59Å; R247-E251 PolarHBondContact NE-OE1 2.84Å; R247-E251 IonicContact NH2-OE1 3.92Å; R247-E251 PolarHBondContact NH2-OE1 3.11Å; R247-E251 PolarHBondContact O-N 2.61Å; R247-E251 VanDerWaalsContact O-N 3.1Å; R248-E251 PolarHBondContact O-N 2.96Å; K249-E251 VanDerWaalsContact C-N 3.34Å; K249-E251 PolarHBondContact O-N 3.31Å; E251-A255 WeakPolarHBondContact O-CB 3.2Å; E251-A255 PolarHBondContact O-N 3.15Å
252	N	89.1	Confident	88.2	Confident	112 Å²	112	106.5 Å²	106.5	60%	0.599	50%	0.501	S	S	*	.	H	α-helix	trans	-72.6	-39.7	177.4	-164.4	6.6	0	0	0	112.8	R248 K249 R250 S254 A255 S256	R248-N252 WeakPolarHBondContact O-CB 3.47Å; R248-N252 PolarHBondContact O-N 2.96Å; K249-N252 PolarHBondContact O-N 2.85Å; R250-N252 PolarHBondContact O-N 3.03Å; N252-S254 VanDerWaalsContact C-N 3.32Å; N252-S254 PolarHBondContact O-N 3.23Å; N252-A255 PolarHBondContact O-N 2.94Å; N252-S256 VanDerWaalsContact O-CB 3.29Å; N252-S256 WeakPolarHBondContact O-CB 3.45Å; N252-S256 PolarHBondContact O-N 3.22Å
253	D	88.6	Confident	88.4	Confident	87 Å²	87	108.6 Å²	108.6	47%	0.465	51%	0.508	S	S	.	.	H	α-helix	trans	-60.9	-42.1	173.3	-74.4	-27.9	0	0	0	110.5	K249 R250 S256 V257	K249-D253 VanDerWaalsContact CE-OD2 3.29Å; K249-D253 WeakPolarHBondContact CE-OD2 3.43Å; K249-D253 WeakPolarHBondContact CG-OD2 3.25Å; K249-D253 WeakPolarHBondContact O-CB 3.36Å; K249-D253 VanDerWaalsContact O-CG 3.31Å; K249-D253 PolarHBondContact O-N 3.07Å; R250-D253 PolarHBondContact O-N 3.36Å; D253-S256 WeakPolarHBondContact O-CB 3.42Å; D253-S256 PolarHBondContact O-N 3.36Å; D253-V257 WeakPolarHBondContact O-CG2 3.44Å; D253-V257 PolarHBondContact O-N 3.22Å; D253-V257 VanDerWaalsContact O-N 3.08Å
254	S	87.6	Confident	88.7	Confident	70 Å²	70	111.3 Å²	111.3	49%	0.49	51%	0.509	S	S	.	.	H	α-helix	trans	-63	-47	172.5	-65.5	0	0	0	0	112.6	R250 N252 S256 V257 I258	R250-S254 WeakPolarHBondContact O-CB 3.42Å; R250-S254 PolarHBondContact O-N 2.9Å; R250-S254 PolarHBondContact O-OG 2.93Å; R250-S254 VanDerWaalsContact O-OG 3.06Å; N252-S254 VanDerWaalsContact C-N 3.32Å; N252-S254 PolarHBondContact O-N 3.23Å; S254-S256 VanDerWaalsContact C-N 3.3Å; S254-S256 PolarHBondContact O-N 3.15Å; S254-V257 PolarHBondContact O-N 2.76Å; S254-I258 WeakPolarHBondContact O-CG1 3.22Å; S254-I258 PolarHBondContact O-N 3.19Å
255	A	89	Confident	88.8	Confident	35 Å²	35	112.8 Å²	112.8	29%	0.289	52%	0.515	S	S	.	.	H	α-helix	trans	-59.9	-40.4	176.4	0	0	0	0	0	111.9	E251 N252 V257 I258 Q259	E251-A255 WeakPolarHBondContact O-CB 3.2Å; E251-A255 PolarHBondContact O-N 3.15Å; N252-A255 PolarHBondContact O-N 2.94Å; A255-V257 PolarHBondContact O-N 3.49Å; A255-I258 PolarHBondContact O-N 2.95Å; A255-Q259 WeakPolarHBondContact O-CB 3.42Å; A255-Q259 VanDerWaalsContact O-CG 3.29Å; A255-Q259 WeakPolarHBondContact O-CG 3.4Å; A255-Q259 PolarHBondContact O-N 3.21Å
256	S	90.3	Very high	88.6	Confident	49 Å²	49	110.3 Å²	110.3	34%	0.343	51%	0.512	S	S	.	.	H	α-helix	trans	-61.9	-39.9	175.3	-176.4	0	0	0	0	112.4	N252 D253 S254 R260	N252-S256 VanDerWaalsContact O-CB 3.29Å; N252-S256 WeakPolarHBondContact O-CB 3.45Å; N252-S256 PolarHBondContact O-N 3.22Å; D253-S256 WeakPolarHBondContact O-CB 3.42Å; D253-S256 PolarHBondContact O-N 3.36Å; S254-S256 VanDerWaalsContact C-N 3.3Å; S254-S256 PolarHBondContact O-N 3.15Å; S256-R260 WeakPolarHBondContact O-CB 3.43Å; S256-R260 PolarHBondContact O-N 3.29Å
257	V	91.1	Very high	88.4	Confident	75 Å²	75	112.8 Å²	112.8	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-65.7	-45	173.2	171.1	0	0	0	0	111.6	D253 S254 A255 R260 N261	D253-V257 WeakPolarHBondContact O-CG2 3.44Å; D253-V257 PolarHBondContact O-N 3.22Å; D253-V257 VanDerWaalsContact O-N 3.08Å; S254-V257 PolarHBondContact O-N 2.76Å; A255-V257 PolarHBondContact O-N 3.49Å; V257-R260 PolarHBondContact O-N 3.3Å; V257-N261 WeakPolarHBondContact O-CB 3.22Å; V257-N261 PolarHBondContact O-N 2.84Å
258	I	90	Very high	88	Confident	116 Å²	116	111.5 Å²	111.5	60%	0.595	52%	0.519	S	S	*	.	H	α-helix	trans	-61.7	-49.9	177.8	-66.8	165.3	0	0	0	110.5	S254 A255 R260 N261 F262	S254-I258 WeakPolarHBondContact O-CG1 3.22Å; S254-I258 PolarHBondContact O-N 3.19Å; A255-I258 PolarHBondContact O-N 2.95Å; I258-R260 VanDerWaalsContact C-N 3.34Å; I258-R260 PolarHBondContact O-N 2.84Å; I258-N261 PolarHBondContact O-N 3.05Å; I258-F262 WeakPolarHBondContact O-CB 3.4Å; I258-F262 PolarHBondContact O-N 2.82Å
259	Q	89.7	Confident	87.6	Confident	123 Å²	123	108 Å²	108	58%	0.575	51%	0.514	S	S	*	.	H	α-helix	trans	-60.7	-40.2	176.7	-71.7	177.4	9.9	0	0	112.3	A255 F262 R263	A255-Q259 WeakPolarHBondContact O-CB 3.42Å; A255-Q259 VanDerWaalsContact O-CG 3.29Å; A255-Q259 WeakPolarHBondContact O-CG 3.4Å; A255-Q259 PolarHBondContact O-N 3.21Å; Q259-F262 PolarHBondContact O-N 2.67Å; Q259-R263 WeakPolarHBondContact O-CB 3.4Å; Q259-R263 VanDerWaalsContact O-CG 3.28Å; Q259-R263 WeakPolarHBondContact O-CG 3.33Å; Q259-R263 PolarHBondContact O-N 2.97Å
260	R	91.2	Very high	86.3	Confident	167 Å²	167	103.1 Å²	103.1	63%	0.63	50%	0.502	S	S	*	.	H	α-helix	trans	-62.7	-42.4	175	177.8	179.2	-74.8	138.6	-3.1	111.6	S256 V257 I258 K264	S256-R260 WeakPolarHBondContact O-CB 3.43Å; S256-R260 PolarHBondContact O-N 3.29Å; V257-R260 PolarHBondContact O-N 3.3Å; I258-R260 VanDerWaalsContact C-N 3.34Å; I258-R260 PolarHBondContact O-N 2.84Å; R260-K264 WeakPolarHBondContact O-CB 3.49Å; R260-K264 PolarHBondContact O-N 2.86Å
261	N	89.4	Confident	84.8	Confident	93 Å²	93	98.5 Å²	98.5	50%	0.497	50%	0.495	S	S	.	.	H	α-helix	trans	-68.8	-41.8	177	-81.1	-22.9	0	0	0	112	V257 I258 K264 H265	V257-N261 WeakPolarHBondContact O-CB 3.22Å; V257-N261 PolarHBondContact O-N 2.84Å; I258-N261 PolarHBondContact O-N 3.05Å; N261-K264 WeakPolarHBondContact O-CA 3.23Å; N261-K264 WeakPolarHBondContact O-CB 3.47Å; N261-K264 PolarHBondContact O-N 2.92Å; N261-K264 VanDerWaalsContact O-N 3.09Å; N261-H265 WeakPolarHBondContact O-CB 3.41Å; N261-H265 PolarHBondContact O-N 3.47Å
262	F	87.9	Confident	83.1	Confident	124 Å²	124	104.5 Å²	104.5	54%	0.544	51%	0.514	S	S	.	.	H	α-helix	trans	-62.3	-45.9	174.2	-171.6	-115.1	0	0	0	111.7	I258 Q259 K264 H265 L266	I258-F262 WeakPolarHBondContact O-CB 3.4Å; I258-F262 PolarHBondContact O-N 2.82Å; Q259-F262 PolarHBondContact O-N 2.67Å; F262-K264 PolarHBondContact O-N 2.65Å; F262-H265 PolarHBondContact O-N 3.36Å; F262-H265 VanDerWaalsContact O-N 3.16Å; F262-L266 HydrophobicContact CD1-CD1 3.91Å; F262-L266 HydrophobicContact CD1-CG 4.38Å; F262-L266 HydrophobicContact CE1-CD1 3.55Å; F262-L266 HydrophobicContact CE1-CG 4.11Å; F262-L266 HydrophobicContact CE2-CD2 4.43Å; F262-L266 HydrophobicContact CE2-CG 4.4Å; F262-L266 HydrophobicContact CZ-CD1 3.98Å; F262-L266 HydrophobicContact CZ-CD2 4.12Å; F262-L266 HydrophobicContact CZ-CG 4.12Å; F262-L266 WeakPolarHBondContact O-CG 3.35Å; F262-L266 PolarHBondContact O-N 2.97Å
263	R	88.7	Confident	81.3	Confident	177 Å²	177	108.4 Å²	108.4	67%	0.668	52%	0.521	S	S	*	.	H	α-helix	trans	-67.7	-14	173.1	-67.8	176.4	73.8	-178.6	5.2	113.8	Q259 R267	Q259-R263 WeakPolarHBondContact O-CB 3.4Å; Q259-R263 VanDerWaalsContact O-CG 3.28Å; Q259-R263 WeakPolarHBondContact O-CG 3.33Å; Q259-R263 PolarHBondContact O-N 2.97Å; R263-R267 PolarHBondContact O-NE 3.4Å; R263-R267 PolarHBondContact O-NH2 3.41Å
264	K	88.6	Confident	79.6	Confident	114 Å²	114	108.4 Å²	108.4	50%	0.496	52%	0.524	S	S	.	.	H	α-helix	trans	-83	-48.8	167	-177.3	-173.6	175.1	-171.4	0	110.1	R260 N261 F262 R267 M268	R260-K264 WeakPolarHBondContact O-CB 3.49Å; R260-K264 PolarHBondContact O-N 2.86Å; N261-K264 WeakPolarHBondContact O-CA 3.23Å; N261-K264 WeakPolarHBondContact O-CB 3.47Å; N261-K264 PolarHBondContact O-N 2.92Å; N261-K264 VanDerWaalsContact O-N 3.09Å; F262-K264 PolarHBondContact O-N 2.65Å; K264-R267 PolarHBondContact O-N 2.86Å; K264-M268 HydrophobicContact CG-CE 4.43Å; K264-M268 HydrophobicContact CG-SD 4.42Å; K264-M268 WeakPolarHBondContact O-CG 3.32Å; K264-M268 PolarHBondContact O-N 3.33Å; K264-M268 VanDerWaalsContact O-N 3.08Å
265	H	86.4	Confident	77.8	Confident	100 Å²	100	112.6 Å²	112.6	46%	0.463	53%	0.533	S	S	.	.	H	α-helix	trans	-56.8	-50.6	177.9	179.5	91.7	0	0	0	112.1	N261 F262 R267 M268 V269	N261-H265 WeakPolarHBondContact O-CB 3.41Å; N261-H265 PolarHBondContact O-N 3.47Å; F262-H265 PolarHBondContact O-N 3.36Å; F262-H265 VanDerWaalsContact O-N 3.16Å; H265-R267 VanDerWaalsContact C-N 3.26Å; H265-R267 PolarHBondContact O-N 3.06Å; H265-M268 PolarHBondContact O-N 2.95Å; H265-V269 WeakPolarHBondContact NE2-CG2 3.39Å; H265-V269 PolarHBondContact O-N 2.9Å
266	L	81.5	Confident	76.1	Confident	90 Å²	90	114.3 Å²	114.3	47%	0.471	55%	0.547	S	S	.	.	H	α-helix	trans	-56	-37.3	177	-72.9	179.4	0	0	0	113	F262 G270	F262-L266 HydrophobicContact CD1-CD1 3.91Å; F262-L266 HydrophobicContact CD1-CG 4.38Å; F262-L266 HydrophobicContact CE1-CD1 3.55Å; F262-L266 HydrophobicContact CE1-CG 4.11Å; F262-L266 HydrophobicContact CE2-CD2 4.43Å; F262-L266 HydrophobicContact CE2-CG 4.4Å; F262-L266 HydrophobicContact CZ-CD1 3.98Å; F262-L266 HydrophobicContact CZ-CD2 4.12Å; F262-L266 HydrophobicContact CZ-CG 4.12Å; F262-L266 WeakPolarHBondContact O-CG 3.35Å; F262-L266 PolarHBondContact O-N 2.97Å; L266-G270 WeakPolarHBondContact O-CA 3.36Å; L266-G270 PolarHBondContact O-N 2.8Å
267	R	83.9	Confident	74.4	Confident	177 Å²	177	117.4 Å²	117.4	67%	0.668	56%	0.556	S	S	*	*	H	α-helix	trans	-70.2	-37.9	174.9	-78.5	-178.8	-71.9	162.3	-1.4	112.5	R263 K264 H265 S271	R263-R267 PolarHBondContact O-NE 3.4Å; R263-R267 PolarHBondContact O-NH2 3.41Å; K264-R267 PolarHBondContact O-N 2.86Å; H265-R267 VanDerWaalsContact C-N 3.26Å; H265-R267 PolarHBondContact O-N 3.06Å; R267-S271 WeakPolarHBondContact O-CB 3.4Å; R267-S271 PolarHBondContact O-N 3.07Å; R267-S271 VanDerWaalsContact O-N 3.08Å
268	M	79.2	Confident	72.7	Confident	105 Å²	105	116.2 Å²	116.2	52%	0.517	55%	0.549	S	S	.	.	H	α-helix	trans	-69.7	-41	177	-63.9	-170.8	-51.6	0	0	112.2	K264 H265 R272	K264-M268 HydrophobicContact CG-CE 4.43Å; K264-M268 HydrophobicContact CG-SD 4.42Å; K264-M268 WeakPolarHBondContact O-CG 3.32Å; K264-M268 PolarHBondContact O-N 3.33Å; K264-M268 VanDerWaalsContact O-N 3.08Å; H265-M268 PolarHBondContact O-N 2.95Å; M268-R272 PolarHBondContact O-N 3.47Å
269	V	79.2	Confident	70.9	Confident	73 Å²	73	118.9 Å²	118.9	44%	0.442	56%	0.557	S	S	.	*	H	α-helix	trans	-75	-44.5	178.3	177	0	0	0	0	111.5	H265 S271 R272 R273	H265-V269 WeakPolarHBondContact NE2-CG2 3.39Å; H265-V269 PolarHBondContact O-N 2.9Å; V269-S271 VanDerWaalsContact C-N 3.31Å; V269-S271 PolarHBondContact O-N 2.99Å; V269-R272 WeakPolarHBondContact O-CB 3.49Å; V269-R272 PolarHBondContact O-N 2.76Å; V269-R272 VanDerWaalsContact O-N 3.08Å; V269-R273 PolarHBondContact O-N 3.23Å
270	G	64.4	Low	69.3	Low	33 Å²	33	116 Å²	116	34%	0.34	55%	0.554	S	S	.	*	H	α-helix	trans	-58.9	-41.1	175.5	0	0	0	0	0	112.6	L266 R272 R273 V274	L266-G270 WeakPolarHBondContact O-CA 3.36Å; L266-G270 PolarHBondContact O-N 2.8Å; G270-R272 VanDerWaalsContact C-N 3.28Å; G270-R272 PolarHBondContact O-N 3.44Å; G270-R273 PolarHBondContact O-N 3.31Å; G270-R273 VanDerWaalsContact O-N 3.17Å; G270-V274 WeakPolarHBondContact O-CG2 3.42Å; G270-V274 PolarHBondContact O-N 3.48Å
271	S	56.4	Low	67.5	Low	67 Å²	67	111.6 Å²	111.6	47%	0.469	54%	0.54	S	S	.	.	H	α-helix	trans	-62.9	-31.3	175.6	-172.7	0	0	0	0	113.2	R267 V269 K275	R267-S271 WeakPolarHBondContact O-CB 3.4Å; R267-S271 PolarHBondContact O-N 3.07Å; R267-S271 VanDerWaalsContact O-N 3.08Å; V269-S271 VanDerWaalsContact C-N 3.31Å; V269-S271 PolarHBondContact O-N 2.99Å; S271-K275 WeakPolarHBondContact O-CG 3.24Å; S271-K275 PolarHBondContact O-N 3.3Å
272	R	52.3	Low	65.7	Low	208 Å²	208	114.8 Å²	114.8	79%	0.785	55%	0.546	S	S	*	.	H	α-helix	trans	-70.9	-44.4	171.6	-69.4	-178.5	-179.8	-151	-1.2	111.6	M268 V269 G270 K275 A276	M268-R272 PolarHBondContact O-N 3.47Å; V269-R272 WeakPolarHBondContact O-CB 3.49Å; V269-R272 PolarHBondContact O-N 2.76Å; V269-R272 VanDerWaalsContact O-N 3.08Å; G270-R272 VanDerWaalsContact C-N 3.28Å; G270-R272 PolarHBondContact O-N 3.44Å; R272-K275 PolarHBondContact O-N 2.86Å; R272-A276 PolarHBondContact O-N 3.26Å
273	R	52.3	Low	63.9	Low	194 Å²	194	118.8 Å²	118.8	73%	0.732	56%	0.557	S	S	*	*	H	α-helix	trans	-63.6	-45.7	-177.8	-148.4	175.5	-169.5	-174.5	2.2	112.3	V269 G270 K275 A276 Q277	V269-R273 PolarHBondContact O-N 3.23Å; G270-R273 PolarHBondContact O-N 3.31Å; G270-R273 VanDerWaalsContact O-N 3.17Å; R273-K275 PolarHBondContact O-N 3.34Å; R273-A276 PolarHBondContact O-N 2.95Å; R273-Q277 PolarHBondContact O-N 2.84Å; R273-Q277 VanDerWaalsContact O-N 3.13Å
274	V	51.8	Low	62.1	Low	87 Å²	87	117.7 Å²	117.7	53%	0.527	56%	0.559	S	S	.	*	H	α-helix	trans	-64.8	-35.6	178.2	175.6	0	0	0	0	112.5	G270 T278	G270-V274 WeakPolarHBondContact O-CG2 3.42Å; G270-V274 PolarHBondContact O-N 3.48Å; V274-T278 HydrophobicContact CG1-CG2 4.07Å; V274-T278 WeakPolarHBondContact O-CB 3.45Å; V274-T278 WeakPolarHBondContact O-CG2 3.47Å; V274-T278 PolarHBondContact O-N 3.2Å; V274-T278 VanDerWaalsContact O-N 3.09Å; V274-T278 PolarHBondContact O-OG1 3.5Å
275	K	51.5	Low	60.6	Low	157 Å²	157	120.7 Å²	120.7	68%	0.683	57%	0.568	S	S	*	*	H	α-helix	trans	-68.8	-32.3	177.9	-80.4	-171.9	174.3	-166.8	0	113.6	S271 R272 R273	S271-K275 WeakPolarHBondContact O-CG 3.24Å; S271-K275 PolarHBondContact O-N 3.3Å; R272-K275 PolarHBondContact O-N 2.86Å; R273-K275 PolarHBondContact O-N 3.34Å
276	A	53.2	Low	58.7	Low	71 Å²	71	120.7 Å²	120.7	59%	0.587	58%	0.579	S	S	*	*	H	α-helix	trans	-72.5	-50	173.1	0	0	0	0	0	111.4	R272 R273 T278 F279	R272-A276 PolarHBondContact O-N 3.26Å; R273-A276 PolarHBondContact O-N 2.95Å; A276-T278 PolarHBondContact O-N 3.12Å; A276-F279 PolarHBondContact O-N 2.93Å
277	Q	54.4	Low	57.1	Low	115 Å²	115	125.4 Å²	125.4	54%	0.537	60%	0.596	S	S	.	*	H	α-helix	trans	-65.6	-40.1	-172.2	-162.1	162.8	4.1	0	0	112.8	R273 F279 A280 E281	R273-Q277 PolarHBondContact O-N 2.84Å; R273-Q277 VanDerWaalsContact O-N 3.13Å; Q277-F279 PolarHBondContact O-N 3.34Å; Q277-A280 PolarHBondContact O-N 2.95Å; Q277-E281 PolarHBondContact O-N 3.43Å; Q277-E281 VanDerWaalsContact O-N 3.15Å
278	T	55.1	Low	55.4	Low	50 Å²	50	121.7 Å²	121.7	31%	0.307	60%	0.597	S	S	.	*	H	α-helix	trans	-72.4	-8	178.8	58.8	0	0	0	0	114.7	V274 A276 R282	V274-T278 HydrophobicContact CG1-CG2 4.07Å; V274-T278 WeakPolarHBondContact O-CB 3.45Å; V274-T278 WeakPolarHBondContact O-CG2 3.47Å; V274-T278 PolarHBondContact O-N 3.2Å; V274-T278 VanDerWaalsContact O-N 3.09Å; V274-T278 PolarHBondContact O-OG1 3.5Å; A276-T278 PolarHBondContact O-N 3.12Å; T278-R282 WeakPolarHBondContact O-CG 3.24Å; T278-R282 PolarHBondContact O-NH1 2.89Å
279	F	52.1	Low	53.5	Low	171 Å²	171	128.2 Å²	128.2	75%	0.75	62%	0.616	S	S	*	*	H	α-helix	trans	-86.8	-36.5	171.5	-149.4	-88.4	0	0	0	111.8	A276 Q277	A276-F279 PolarHBondContact O-N 2.93Å; Q277-F279 PolarHBondContact O-N 3.34Å
280	A	55.9	Low	51.8	Low	63 Å²	63	129.7 Å²	129.7	52%	0.521	63%	0.629	S	S	.	*	H	α-helix	trans	-67	-54.7	173.5	0	0	0	0	0	111.6	Q277 R282 R283	Q277-A280 PolarHBondContact O-N 2.95Å; A280-R282 PolarHBondContact O-N 3.34Å; A280-R282 VanDerWaalsContact O-N 3.1Å; A280-R283 PolarHBondContact O-N 2.99Å
281	E	54.3	Low	50.3	Low	74 Å²	74	139.7 Å²	139.7	35%	0.346	66%	0.657	S	S	.	*	H	α-helix	trans	-62.7	-20.9	-175.3	-85.3	-164.8	87.7	0	0	115	Q277 R285	Q277-E281 PolarHBondContact O-N 3.43Å; Q277-E281 VanDerWaalsContact O-N 3.15Å; E281-R285 IonicContact OE1-CZ 2.66Å; E281-R285 VanDerWaalsContact OE1-CZ 3.31Å; E281-R285 IonicContact OE1-NH1 3.35Å; E281-R285 PolarHBondContact OE1-NH1 3.06Å; E281-R285 IonicContact OE1-NH2 2.66Å; E281-R285 PolarHBondContact OE1-NH2 2.97Å
282	R	50.1	Low	49.6	Very low	160 Å²	160	142.7 Å²	142.7	60%	0.604	68%	0.678	S	S	*	*	H	α-helix	trans	-75.6	-31.1	172.6	-79.6	-173.5	-173.5	97.6	-5.6	112.6	T278 A280 S286	T278-R282 WeakPolarHBondContact O-CG 3.24Å; T278-R282 PolarHBondContact O-NH1 2.89Å; A280-R282 PolarHBondContact O-N 3.34Å; A280-R282 VanDerWaalsContact O-N 3.1Å; R282-S286 WeakPolarHBondContact O-CB 3.46Å; R282-S286 PolarHBondContact O-N 2.96Å; R282-S286 PolarHBondContact O-OG 3.5Å
283	R	50	Low	49	Very low	209 Å²	209	139.8 Å²	139.8	79%	0.789	68%	0.678	S	S	*	*	H	α-helix	trans	-72	-39.5	-176.3	-154	175.2	79.5	112.9	0.6	111.4	A280	A280-R283 PolarHBondContact O-N 2.99Å
284	E	52.5	Low	48.6	Very low	153 Å²	153	136 Å²	136	72%	0.715	68%	0.679	S	S	*	*	H	α-helix	trans	-75.3	-37.1	-178.3	-66.4	176.8	162.4	0	0	112.9	S286	E284-S286 VanDerWaalsContact C-N 3.27Å; E284-S286 PolarHBondContact O-N 2.87Å
285	R	55.7	Low	48.3	Very low	177 Å²	177	137.5 Å²	137.5	67%	0.668	69%	0.688	S	S	*	*	H	α-helix	trans	-76.8	-7.8	177.7	-66.9	-166.8	-176.2	89	-4.9	114.7	E281	E281-R285 IonicContact OE1-CZ 2.66Å; E281-R285 VanDerWaalsContact OE1-CZ 3.31Å; E281-R285 IonicContact OE1-NH1 3.35Å; E281-R285 PolarHBondContact OE1-NH1 3.06Å; E281-R285 IonicContact OE1-NH2 2.66Å; E281-R285 PolarHBondContact OE1-NH2 2.97Å
286	S	46.9	Very low	47.8	Very low	101 Å²	101	135.9 Å²	135.9	71%	0.706	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-3.9	-176	-58.4	0	0	0	0	114.9	R282 E284	R282-S286 WeakPolarHBondContact O-CB 3.46Å; R282-S286 PolarHBondContact O-N 2.96Å; R282-S286 PolarHBondContact O-OG 3.5Å; E284-S286 VanDerWaalsContact C-N 3.27Å; E284-S286 PolarHBondContact O-N 2.87Å
287	F	48.5	Very low	47.6	Very low	188 Å²	188	141.1 Å²	141.1	83%	0.825	71%	0.708	S	S	*	*	S	Bend	trans	-101.1	-5.1	-176.3	-158.4	-107	0	0	0	114
288	S	47.2	Very low	46.8	Very low	99 Å²	99	144.7 Å²	144.7	69%	0.692	72%	0.722	S	S	*	*	S	Bend	trans	-112	27.2	-161.7	-46.1	0	0	0	0	115.1
289	R	40.9	Very low	46.2	Very low	243 Å²	243	146.8 Å²	146.8	92%	0.917	74%	0.744	S	S	*	*			trans	-134.8	92.4	174.8	-79.4	-172	170.4	-92.6	-2	111.3
290	S	43.1	Very low	45.4	Very low	103 Å²	103	145.4 Å²	145.4	72%	0.72	75%	0.745	S	S	*	*			trans	-89.7	130.3	174.2	-66.8	0	0	0	0	112.1
291	W	33.1	Very low	44.8	Very low	243 Å²	243	149.3 Å²	149.3	92%	0.92	76%	0.763	S	S	*	*			trans	35.6	105	141.3	-57.6	97.7	0	0	0	119.8
292	S	41.1	Very low	44.3	Very low	130 Å²	130	150.9 Å²	150.9	91%	0.909	78%	0.782	S	S	*	*			trans	-164.6	129	135.9	-78.4	0	0	0	0	109
293	D	38.8	Very low	44	Very low	147 Å²	147	152 Å²	152	79%	0.786	79%	0.794	S	S	*	*			trans	-131.8	134.5	-175.2	178.9	35.7	0	0	0	109.9
294	P	45.5	Very low	43.3	Very low	114 Å²	114	149.5 Å²	149.5	74%	0.74	80%	0.796	S	S	*	*			trans	-129.2	119.7	161.2	32.7	-16.6	0	0	0	113.1
295	T	43.8	Very low	42.9	Very low	120 Å²	120	148 Å²	148	74%	0.736	80%	0.802	S	S	*	*			trans	-58.3	136.2	175.3	-35.6	0	0	0	0	112.8
296	P	41.4	Very low	42.3	Very low	122 Å²	122	150 Å²	150	79%	0.792	81%	0.81	S	S	*	*			trans	-83.1	130.4	174.8	31.8	-33.3	0	0	0	112.4
297	M	48.8	Very low	41.9	Very low	182 Å²	182	151.8 Å²	151.8	90%	0.897	81%	0.811	S	S	*	*			trans	-121.6	151	162.3	-69.2	-157.6	74.7	0	0	110.6
298	K	38.4	Very low	41.5	Very low	189 Å²	189	149 Å²	149	82%	0.822	82%	0.815	S	S	*	*			trans	-97.7	149.1	176.5	-72.2	-168.6	172.2	-162.5	0	111.7
299	A	42.8	Very low	41.4	Very low	94 Å²	94	148.6 Å²	148.6	78%	0.777	81%	0.812	S	S	*	*			trans	-146.6	136.2	146.2	0	0	0	0	0	108.3
300	D	34.3	Very low	41.6	Very low	142 Å²	142	143.5 Å²	143.5	76%	0.759	80%	0.803	S	S	*	*			trans	-90.3	144	175.3	-55	-78.6	0	0	0	109.9
301	T	43	Very low	41.9	Very low	146 Å²	146	145.8 Å²	145.8	90%	0.896	81%	0.806	S	S	*	*			trans	-157.6	139.5	159.2	-19.7	0	0	0	0	110.9
302	S	44.2	Very low	42.4	Very low	107 Å²	107	142.4 Å²	142.4	75%	0.748	80%	0.801	S	S	*	*			trans	-97.5	142.7	-176.5	53.4	0	0	0	0	112.5
303	H	45	Very low	42.1	Very low	184 Å²	184	141.9 Å²	141.9	85%	0.852	80%	0.797	S	S	*	*			trans	-153.2	120.6	150	-142.2	-65.5	0	0	0	112.1
304	D	35.3	Very low	41.8	Very low	156 Å²	156	141 Å²	141	83%	0.834	80%	0.802	S	S	*	*			trans	-78.8	142.5	162.4	-80.3	-68	0	0	0	110
305	S	43.2	Very low	41.5	Very low	121 Å²	121	143.9 Å²	143.9	85%	0.846	81%	0.806	S	S	*	*			trans	-160.9	160.6	148	56.8	0	0	0	0	110.4
306	R	43.2	Very low	40.9	Very low	219 Å²	219	144.1 Å²	144.1	83%	0.826	81%	0.811	S	S	*	*			trans	-109.1	163	-160.4	-131.9	178.8	171.9	153.7	-1.2	112.2
307	D	39	Very low	40.4	Very low	139 Å²	139	145.2 Å²	145.2	74%	0.743	82%	0.815	S	S	*	*			trans	52.3	109.7	151.4	-53.5	-34.1	0	0	0	119.4
308	S	39.8	Very low	39.7	Very low	129 Å²	129	144 Å²	144	90%	0.902	81%	0.812	S	S	*	*			trans	-147.2	131.2	141.7	-159.5	0	0	0	0	109.1
309	S	44.9	Very low	39.7	Very low	91 Å²	91	142.3 Å²	142.3	64%	0.636	81%	0.812	S	S	*	*			trans	-97	170.2	180	65.2	0	0	0	0	111.7
310	D	44.5	Very low	39.5	Very low	136 Å²	136	145.4 Å²	145.4	73%	0.727	81%	0.81	S	S	*	*			trans	57.3	101.1	159.2	-50	-56.9	0	0	0	117.8
311	L	50	Low	39.6	Very low	150 Å²	150	143.3 Å²	143.3	79%	0.785	81%	0.812	S	S	*	*				177.4	152.5	99.8	-90.7	171.3	0	0	0	113.1
312	Q	42.2	Very low	39.7	Very low	173 Å²	173	138.8 Å²	138.8	81%	0.808	79%	0.786	S	S	*	*			trans	55.2	90.9	150.7	-65.3	167.4	16.7	0	0	119.3
313	S	36	Very low	40	Very low	118 Å²	118	141.5 Å²	141.5	83%	0.825	79%	0.787	S	S	*	*			trans	-148.1	92.5	134.5	49.9	0	0	0	0	111.8	H315	S313-H315 PolarHBondContact O-N 3.21Å
314	S	31.7	Very low	40.8	Very low	128 Å²	128	138.9 Å²	138.9	90%	0.895	78%	0.779	S	S	*	*			trans	-77.4	96.1	169.5	55.2	0	0	0	0	109.6
315	H	39.3	Very low	42.3	Very low	176 Å²	176	135.4 Å²	135.4	82%	0.815	76%	0.761	S	S	*	*			trans	-117.3	144.8	170.8	-130.2	-92.2	0	0	0	109.9	S313 T317	S313-H315 PolarHBondContact O-N 3.21Å; H315-T317 PolarHBondContact O-N 3.33Å
316	C	31	Very low	44.2	Very low	125 Å²	125	134.5 Å²	134.5	85%	0.845	75%	0.746	S	S	*	*			trans	-70.1	103.4	-164.9	-58.1	0	0	0	0	113.4
317	T	32	Very low	46.2	Very low	144 Å²	144	128.2 Å²	128.2	88%	0.883	72%	0.722	S	S	*	*			trans	-94.2	83.9	157.1	-50.8	0	0	0	0	108.2	H315	H315-T317 PolarHBondContact O-N 3.33Å
318	L	34.3	Very low	48.4	Very low	158 Å²	158	126 Å²	126	83%	0.827	71%	0.71	S	S	*	*			trans	-129.4	78.8	172.7	-159.4	176.1	0	0	0	108
319	D	37	Very low	50.7	Low	152 Å²	152	123 Å²	123	81%	0.813	69%	0.687	S	S	*	*	S	Bend	trans	-142.2	145.9	158.2	-155.3	-5.6	0	0	0	106.8	A321	D319-A321 PolarHBondContact O-N 2.89Å
320	E	38.7	Very low	52.8	Low	159 Å²	159	120 Å²	120	74%	0.743	66%	0.663	S	S	*	*			trans	-75.2	118.1	-145.7	-64.8	-167.8	138.8	0	0	115.1	C322	E320-C322 PolarHBondContact O-N 3Å
321	A	36.1	Very low	54.9	Low	98 Å²	98	116.7 Å²	116.7	81%	0.81	64%	0.642	S	S	*	*			trans	-70.7	67.5	155.1	0	0	0	0	0	110	D319 E323	D319-A321 PolarHBondContact O-N 2.89Å; A321-E323 PolarHBondContact O-N 3.27Å; A321-E323 VanDerWaalsContact O-N 3.08Å
322	C	45.4	Very low	56.9	Low	51 Å²	51	111 Å²	111	35%	0.345	62%	0.62	S	S	.	*			trans	-56.5	113	166.2	175.6	0	0	0	0	107.9	E320 D324 R446	E320-C322 PolarHBondContact O-N 3Å; C322-D324 PolarHBondContact O-N 3.13Å; C322-R446 PolarHBondContact SG-NH1 3.34Å
323	E	50.7	Low	59.2	Low	165 Å²	165	107.2 Å²	107.2	77%	0.771	61%	0.605	S	S	*	*			trans	-55.4	108.9	-177.5	-62.3	-177.3	153.8	0	0	109.9	A321 L325	A321-E323 PolarHBondContact O-N 3.27Å; A321-E323 VanDerWaalsContact O-N 3.08Å; E323-L325 PolarHBondContact O-N 3.01Å
324	D	61.8	Low	61.8	Low	128 Å²	128	101.8 Å²	101.8	68%	0.684	57%	0.566	S	S	*	*			trans	-72.2	81.2	173.6	-93.4	-47.7	0	0	0	108.4	C322 R446	C322-D324 PolarHBondContact O-N 3.13Å; D324-R446 IonicContact OD1-CZ 3.18Å; D324-R446 IonicContact OD1-NE 3.25Å; D324-R446 IonicContact OD1-NH2 2.76Å; D324-R446 PolarHBondContact OD1-NH2 3.45Å; D324-R446 IonicContact OD2-NH2 2.67Å; D324-R446 PolarHBondContact OD2-NH2 3.43Å
325	L	68.1	Low	64.7	Low	84 Å²	84	97.3 Å²	97.3	44%	0.44	54%	0.537	S	S	.	.			trans	-51.4	135.3	167.8	-80.7	150	0	0	0	109.6	E323 T329 E330	E323-L325 PolarHBondContact O-N 3.01Å; L325-T329 HydrophobicContact CD2-CG2 3.9Å; L325-E330 HydrophobicContact CB-CG 3.87Å
326	D	82.6	Confident	67.1	Low	102 Å²	102	95.1 Å²	95.1	55%	0.545	53%	0.529	S	S	.	.			trans	-56.5	144	175.6	169.8	55	0	0	0	111.3	D328 T329 E330	D326-D328 VanDerWaalsContact C-N 3.33Å; D326-D328 PolarHBondContact O-N 3.43Å; D326-D328 PolarHBondContact OD2-N 3.21Å; D326-T329 CarbonylContact O-C 3.58Å; D326-T329 WeakPolarHBondContact O-CA 3.45Å; D326-T329 VanDerWaalsContact O-CB 3.27Å; D326-T329 WeakPolarHBondContact O-CB 3.26Å; D326-T329 PolarHBondContact O-N 3.09Å; D326-E330 PolarHBondContact O-N 2.81Å
327	W	84.7	Confident	69.9	Low	86 Å²	86	90 Å²	90	33%	0.326	50%	0.496	S	S	.	.	H	α-helix	trans	-62.6	-38.2	-170.3	-178.1	86.7	0	0	0	112.6	T329 K331 K450 Y485	W327-T329 VanDerWaalsContact C-N 3.3Å; W327-K331 HydrophobicContact CE3-CD 4.1Å; W327-K331 HydrophobicContact CH2-CD 3.46Å; W327-K331 VanDerWaalsContact CH2-CD 3.46Å; W327-K331 HydrophobicContact CZ2-CD 4.08Å; W327-K331 HydrophobicContact CZ3-CD 3.47Å; W327-K331 VanDerWaalsContact CZ3-CD 3.47Å; W327-K331 WeakPolarHBondContact O-CB 3.39Å; W327-K331 PolarHBondContact O-N 3.27Å; W327-K450 HydrophobicContact CZ2-CB 4.26Å; W327-Y485 AromaticContact CD1-CD1 3.94Å; W327-Y485 AromaticContact CD1-CE1 3.44Å; W327-Y485 VanDerWaalsContact CD1-CE1 3.44Å; W327-Y485 AromaticContact NE1-CD1 3.63Å; W327-Y485 AromaticContact NE1-CE1 3.62Å
328	D	85.3	Confident	72.5	Confident	92 Å²	92	84.5 Å²	84.5	49%	0.492	46%	0.463	S	S	.	.	H	α-helix	trans	-73.7	-23.5	174.9	-82.7	-56.2	0	0	0	111.9	D326 K331 G332	D326-D328 VanDerWaalsContact C-N 3.33Å; D326-D328 PolarHBondContact O-N 3.43Å; D326-D328 PolarHBondContact OD2-N 3.21Å; D328-K331 IonicContact OD1-NZ 3.47Å; D328-K331 PolarHBondContact OD1-NZ 3.43Å; D328-G332 PolarHBondContact O-N 2.97Å
329	T	89.2	Confident	74.9	Confident	67 Å²	67	83.1 Å²	83.1	41%	0.411	46%	0.456	S	S	.	.	H	α-helix	trans	-71.9	-49.3	171	-57.7	0	0	0	0	111.7	L325 D326 W327 K331 G332 L333	L325-T329 HydrophobicContact CD2-CG2 3.9Å; D326-T329 CarbonylContact O-C 3.58Å; D326-T329 WeakPolarHBondContact O-CA 3.45Å; D326-T329 VanDerWaalsContact O-CB 3.27Å; D326-T329 WeakPolarHBondContact O-CB 3.26Å; D326-T329 PolarHBondContact O-N 3.09Å; W327-T329 VanDerWaalsContact C-N 3.3Å; T329-K331 VanDerWaalsContact C-N 3.25Å; T329-K331 PolarHBondContact O-N 3.29Å; T329-G332 PolarHBondContact O-N 2.99Å; T329-L333 HydrophobicContact CG2-CD1 4.44Å; T329-L333 WeakPolarHBondContact O-CG 3.27Å; T329-L333 PolarHBondContact O-N 3.31Å
330	E	88.3	Confident	77.2	Confident	29 Å²	29	79.3 Å²	79.3	14%	0.136	44%	0.438	C	S	.	.	H	α-helix	trans	-55.7	-43.4	173.3	-78.3	-153.6	119.7	0	0	111.6	L325 D326 L333 E334 K450 Y485	L325-E330 HydrophobicContact CB-CG 3.87Å; D326-E330 PolarHBondContact O-N 2.81Å; E330-L333 PolarHBondContact O-N 3.28Å; E330-E334 WeakPolarHBondContact O-CB 3.4Å; E330-E334 PolarHBondContact O-N 3.19Å; E330-K450 HydrophobicContact CB-CD 3.63Å; E330-K450 WeakPolarHBondContact OE2-CE 3.05Å; E330-Y485 WeakPolarHBondContact OE2-CE1 3.47Å; E330-Y485 PolarHBondContact OE2-OH 3.38Å
331	K	89	Confident	79.5	Confident	65 Å²	65	81 Å²	81	28%	0.283	45%	0.446	S	S	.	.	H	α-helix	trans	-67.5	-36.5	178.4	178.1	177.1	151.5	-144.8	0	112.8	W327 D328 T329 E334 A335 K450 V451	W327-K331 HydrophobicContact CE3-CD 4.1Å; W327-K331 HydrophobicContact CH2-CD 3.46Å; W327-K331 VanDerWaalsContact CH2-CD 3.46Å; W327-K331 HydrophobicContact CZ2-CD 4.08Å; W327-K331 HydrophobicContact CZ3-CD 3.47Å; W327-K331 VanDerWaalsContact CZ3-CD 3.47Å; W327-K331 WeakPolarHBondContact O-CB 3.39Å; W327-K331 PolarHBondContact O-N 3.27Å; D328-K331 IonicContact OD1-NZ 3.47Å; D328-K331 PolarHBondContact OD1-NZ 3.43Å; T329-K331 VanDerWaalsContact C-N 3.25Å; T329-K331 PolarHBondContact O-N 3.29Å; K331-E334 PolarHBondContact O-N 3.47Å; K331-A335 WeakPolarHBondContact O-CB 3.4Å; K331-A335 PolarHBondContact O-N 2.56Å; K331-K450 HydrophobicContact CB-CB 3.73Å; K331-K450 HydrophobicContact CB-CD 4.39Å; K331-K450 HydrophobicContact CD-CB 4.3Å; K331-K450 WeakPolarHBondContact CD-O 3.25Å; K331-K450 HydrophobicContact CG-CB 3.89Å; K331-V451 HydrophobicContact CG-CG1 4.04Å; K331-V451 WeakPolarHBondContact O-CG1 3.4Å
332	G	90.6	Very high	81.9	Confident	31 Å²	31	80 Å²	80	32%	0.32	45%	0.446	S	S	.	.	H	α-helix	trans	-64.4	-43.6	173.3	0	0	0	0	0	112.3	D328 T329 A335 M336	D328-G332 PolarHBondContact O-N 2.97Å; T329-G332 PolarHBondContact O-N 2.99Å; G332-A335 PolarHBondContact O-N 3.45Å; G332-M336 WeakPolarHBondContact O-CG 3.45Å; G332-M336 PolarHBondContact O-N 2.59Å
333	L	91	Very high	84.1	Confident	93 Å²	93	79.3 Å²	79.3	49%	0.487	44%	0.437	S	S	.	.	H	α-helix	trans	-62	-44.5	173.7	-67.9	168.7	0	0	0	111.7	T329 E330 M336 A337	T329-L333 HydrophobicContact CG2-CD1 4.44Å; T329-L333 WeakPolarHBondContact O-CG 3.27Å; T329-L333 PolarHBondContact O-N 3.31Å; E330-L333 PolarHBondContact O-N 3.28Å; L333-M336 HydrophobicContact CD2-CE 3.93Å; L333-M336 PolarHBondContact O-N 3.28Å; L333-A337 PolarHBondContact O-N 2.74Å; L333-A337 VanDerWaalsContact O-N 3.12Å
334	E	91.8	Very high	86	Confident	4 Å²	4	75.1 Å²	75.1	2%	0.019	42%	0.419	C	S	.	.	H	α-helix	trans	-62.6	-42.2	175.6	-169.9	-174.2	128.4	0	0	111.8	E330 K331 M336 A337 C338 K403 S449 K450 V451	E330-E334 WeakPolarHBondContact O-CB 3.4Å; E330-E334 PolarHBondContact O-N 3.19Å; K331-E334 PolarHBondContact O-N 3.47Å; E334-M336 PolarHBondContact O-N 2.89Å; E334-A337 PolarHBondContact O-N 2.99Å; E334-C338 WeakPolarHBondContact O-CB 3.32Å; E334-C338 PolarHBondContact O-N 3.18Å; E334-C338 PolarHBondContact O-SG 3.1Å; E334-K403 HydrophobicContact CG-CB 4.29Å; E334-K403 HydrophobicContact CG-CG 3.85Å; E334-K403 WeakPolarHBondContact OE2-CG 3.48Å; E334-S449 WeakPolarHBondContact OE1-CA 3.49Å; E334-S449 WeakPolarHBondContact OE1-CB 3.48Å; E334-K450 PolarHBondContact OE1-N 3.4Å; E334-K450 WeakPolarHBondContact OE2-CB 3.36Å; E334-K450 WeakPolarHBondContact OE2-CD 3.21Å; E334-K450 PolarHBondContact OE2-N 3.12Å; E334-K450 IonicContact OE2-NZ 3.81Å; E334-K450 PolarHBondContact OE2-NZ 3.23Å; E334-V451 HydrophobicContact CB-CG1 3.95Å; E334-V451 HydrophobicContact CG-CG1 3.93Å; E334-V451 HydrophobicContact CG-CG2 4.44Å; E334-V451 WeakPolarHBondContact OE1-CG2 3.25Å; E334-V451 PolarHBondContact OE1-N 3.22Å; E334-V451 VanDerWaalsContact OE1-N 3.11Å
335	A	91.3	Very high	87.6	Confident	35 Å²	35	70.4 Å²	70.4	29%	0.289	40%	0.396	S	S	.	.	H	α-helix	trans	-63.5	-42.4	177.9	0	0	0	0	0	111.9	K331 G332 A337 C338 N339 V451	K331-A335 WeakPolarHBondContact O-CB 3.4Å; K331-A335 PolarHBondContact O-N 2.56Å; G332-A335 PolarHBondContact O-N 3.45Å; A335-A337 VanDerWaalsContact C-N 3.3Å; A335-A337 PolarHBondContact O-N 2.99Å; A335-C338 PolarHBondContact O-N 2.88Å; A335-N339 PolarHBondContact O-N 2.82Å; A335-N339 PolarHBondContact O-ND2 3.15Å; A335-N339 PolarHBondContact O-OD1 3.22Å; A335-V451 HydrophobicContact CB-CG1 3.83Å
336	M	90.9	Very high	88.9	Confident	129 Å²	129	66.4 Å²	66.4	64%	0.635	38%	0.375	S	S	*	.	H	α-helix	trans	-63.4	-34.8	174.9	-70.7	-173	-66.2	0	0	112.6	G332 L333 E334	G332-M336 WeakPolarHBondContact O-CG 3.45Å; G332-M336 PolarHBondContact O-N 2.59Å; L333-M336 HydrophobicContact CD2-CE 3.93Å; L333-M336 PolarHBondContact O-N 3.28Å; E334-M336 PolarHBondContact O-N 2.89Å
337	A	88.5	Confident	89.6	Confident	19 Å²	19	63.1 Å²	63.1	16%	0.157	36%	0.356	C	S	.	.	H	α-helix	trans	-70.9	-38.2	174.2	0	0	0	0	0	112.7	L333 E334 A335 N339 T340 H399	L333-A337 PolarHBondContact O-N 2.74Å; L333-A337 VanDerWaalsContact O-N 3.12Å; E334-A337 PolarHBondContact O-N 2.99Å; A335-A337 VanDerWaalsContact C-N 3.3Å; A335-A337 PolarHBondContact O-N 2.99Å; A337-N339 VanDerWaalsContact C-N 3.28Å; A337-N339 PolarHBondContact O-N 2.83Å; A337-T340 PolarHBondContact O-OG1 3.34Å; A337-H399 PolarHBondContact O-CE1 3.28Å
338	C	86.6	Confident	90.2	Very high	27 Å²	27	59 Å²	59	18%	0.182	34%	0.34	C	S	.	.	H	α-helix	trans	-77.5	-5.7	-178.6	-66.3	0	0	0	0	114.5	E334 A335 T340 F343	E334-C338 WeakPolarHBondContact O-CB 3.32Å; E334-C338 PolarHBondContact O-N 3.18Å; E334-C338 PolarHBondContact O-SG 3.1Å; A335-C338 PolarHBondContact O-N 2.88Å; C338-T340 PolarHBondContact O-N 2.97Å; C338-F343 HydrophobicContact CB-CD1 3.93Å; C338-F343 HydrophobicContact CB-CE1 3.78Å; C338-F343 HydrophobicContact CB-CZ 4.45Å; C338-F343 WeakPolarHBondContact SG-CE1 3.1Å
339	N	84.5	Confident	90.8	Very high	129 Å²	129	54.7 Å²	54.7	69%	0.69	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	0	-178.7	-77.7	-20.7	0	0	0	114.6	A335 A337	A335-N339 PolarHBondContact O-N 2.82Å; A335-N339 PolarHBondContact O-ND2 3.15Å; A335-N339 PolarHBondContact O-OD1 3.22Å; A337-N339 VanDerWaalsContact C-N 3.28Å; A337-N339 PolarHBondContact O-N 2.83Å
340	T	85.5	Confident	91.2	Very high	72 Å²	72	51.6 Å²	51.6	44%	0.442	30%	0.298	S	S	.	.	S	Bend	trans	-65.9	133.2	176.8	-51.9	0	0	0	0	111.2	A337 C338 G342 F343 H399	A337-T340 PolarHBondContact O-OG1 3.34Å; C338-T340 PolarHBondContact O-N 2.97Å; T340-G342 PolarHBondContact O-N 2.81Å; T340-F343 VanDerWaalsContact O-CB 3.23Å; T340-F343 WeakPolarHBondContact O-CB 3.3Å; T340-F343 PolarHBondContact O-N 2.83Å; T340-F343 VanDerWaalsContact O-N 3.09Å; T340-H399 PolarHBondContact OG1-NE2 3.46Å
341	E	86.9	Confident	91.7	Very high	195 Å²	195	50.3 Å²	50.3	91%	0.911	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	132.7	175.7	-67	-169.8	160.9	0	0	111.4	F343	E341-F343 VanDerWaalsContact C-N 3.29Å; E341-F343 PolarHBondContact O-N 3.21Å
342	G	87.1	Confident	92.1	Very high	77 Å²	77	47.2 Å²	47.2	79%	0.794	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	4	-177.6	0	0	0	0	0	115.6	T340 L344	T340-G342 PolarHBondContact O-N 2.81Å; G342-L344 PolarHBondContact O-N 2.85Å
343	F	91	Very high	92.4	Very high	36 Å²	36	47.7 Å²	47.7	16%	0.158	28%	0.277	C	S	.	.			trans	-60.5	125.1	175.5	176.7	-98.5	0	0	0	112.3	C338 T340 E341 P345 Y398 H399 A402	C338-F343 HydrophobicContact CB-CD1 3.93Å; C338-F343 HydrophobicContact CB-CE1 3.78Å; C338-F343 HydrophobicContact CB-CZ 4.45Å; C338-F343 WeakPolarHBondContact SG-CE1 3.1Å; T340-F343 VanDerWaalsContact O-CB 3.23Å; T340-F343 WeakPolarHBondContact O-CB 3.3Å; T340-F343 PolarHBondContact O-N 2.83Å; T340-F343 VanDerWaalsContact O-N 3.09Å; E341-F343 VanDerWaalsContact C-N 3.29Å; E341-F343 PolarHBondContact O-N 3.21Å; F343-P345 HydrophobicContact CE1-CB 4.49Å; F343-P345 HydrophobicContact CE1-CG 4.25Å; F343-Y398 HydrophobicContact CE2-CE1 4.09Å; F343-H399 HydrophobicContact CD2-CB 4.34Å; F343-H399 AromaticContact CD2-CD2 3.88Å; F343-H399 HydrophobicContact CE2-CB 4.05Å; F343-A402 HydrophobicContact CE2-CB 3.8Å; F343-A402 HydrophobicContact CZ-CB 3.94Å
344	L	92.3	Very high	92.6	Very high	77 Å²	77	46.6 Å²	46.6	40%	0.403	27%	0.268	S	S	.	.			trans	-107.8	128.6	172.7	-61.9	179.3	0	0	0	110.1	G342 P346 P370 Y398	G342-L344 PolarHBondContact O-N 2.85Å; L344-P346 WeakPolarHBondContact O-CD 3.23Å; L344-P370 HydrophobicContact CD1-CG 4.28Å; L344-Y398 PolarHBondContact O-OH 2.96Å
345	P	93.6	Very high	92.7	Very high	30 Å²	30	46.7 Å²	46.7	20%	0.195	27%	0.269	C	S	.	.			trans	-61.6	124.8	-179.3	-25.9	34.8	0	0	0	113.5	F343 W405	F343-P345 HydrophobicContact CE1-CB 4.49Å; F343-P345 HydrophobicContact CE1-CG 4.25Å; P345-W405 HydrophobicContact CB-CB 3.65Å; P345-W405 HydrophobicContact CB-CD2 4.04Å; P345-W405 HydrophobicContact CB-CE3 3.88Å; P345-W405 HydrophobicContact CB-CG 4Å; P345-W405 HydrophobicContact CG-CE3 4.47Å
346	P	95.9	Very high	92.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.268	C	S	.	.			trans	-54.2	142.8	-173.7	-29	31.1	0	0	0	117	L344 I373 L395 Y398 A402 K403 W405 K406	L344-P346 WeakPolarHBondContact O-CD 3.23Å; P346-I373 HydrophobicContact CB-CD1 4.17Å; P346-L395 HydrophobicContact CB-CD2 3.7Å; P346-L395 HydrophobicContact CG-CD2 3.87Å; P346-Y398 HydrophobicContact CG-CD1 3.85Å; P346-Y398 HydrophobicContact CG-CE1 3.73Å; P346-A402 HydrophobicContact CG-CB 3.94Å; P346-K403 WeakPolarHBondContact CD-O 3.47Å; P346-W405 PolarHBondContact O-N 2.8Å; P346-K406 PolarHBondContact O-N 2.85Å
347	K	97.2	Very high	92.8	Very high	33 Å²	33	42.7 Å²	42.7	14%	0.143	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	89.1	177.3	-63.2	174.1	-165.5	166.8	0	110.4	D369 S371 I372 I373 K406 Y506	K347-D369 IonicContact NZ-OD1 2.97Å; K347-D369 IonicContact NZ-OD2 2.66Å; K347-D369 PolarHBondContact NZ-OD2 3.03Å; K347-S371 WeakPolarHBondContact CD-OG 3.47Å; K347-S371 WeakPolarHBondContact CE-OG 3.36Å; K347-S371 PolarHBondContact N-O 2.99Å; K347-I372 HydrophobicContact CB-CG1 4.05Å; K347-I372 HydrophobicContact CD-CG1 4.04Å; K347-I372 WeakPolarHBondContact O-CA 3.24Å; K347-I373 PolarHBondContact O-N 3.43Å; K347-K406 CarbonylContact C-O 3.58Å; K347-K406 VanDerWaalsContact CA-O 3.25Å; K347-K406 WeakPolarHBondContact CA-O 3.49Å; K347-Y506 HydrophobicContact CB-CE1 4.16Å
348	V	98	Very high	93	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	129.1	-173.7	176.6	0	0	0	0	111.4	I373 I375 I391 L395 I404 K406 M407 L408	V348-I373 HydrophobicContact CG2-CB 4.32Å; V348-I375 HydrophobicContact CG1-CD1 4.02Å; V348-I391 HydrophobicContact CG1-CG1 4.37Å; V348-L395 HydrophobicContact CG2-CD2 4.07Å; V348-I404 HydrophobicContact CB-CD1 4.28Å; V348-I404 HydrophobicContact CB-CG1 4.45Å; V348-I404 HydrophobicContact CB-CG2 4.22Å; V348-I404 HydrophobicContact CG2-CD1 4.05Å; V348-I404 HydrophobicContact CG2-CG1 3.82Å; V348-I404 HydrophobicContact CG2-CG2 4.2Å; V348-K406 PolarHBondContact N-O 3.34Å; V348-M407 HydrophobicContact CB-CG 4.42Å; V348-M407 CarbonylContact O-C 3.58Å; V348-M407 VanDerWaalsContact O-CA 3.25Å; V348-M407 WeakPolarHBondContact O-CA 3.44Å; V348-M407 WeakPolarHBondContact O-CG 3.28Å; V348-L408 PolarHBondContact O-N 2.91Å
349	M	98.2	Very high	93.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	104.4	176.8	-63.1	172.6	67.3	0	0	110.7	I351 I365 I372 I373 I375 L408 Y506 F507	M349-I351 HydrophobicContact CB-CD1 4.45Å; M349-I351 HydrophobicContact CB-CG1 4.44Å; M349-I351 HydrophobicContact CE-CD1 4.46Å; M349-I365 HydrophobicContact CE-CD1 3.89Å; M349-I365 HydrophobicContact CE-CG1 3.92Å; M349-I365 HydrophobicContact SD-CD1 3.73Å; M349-I365 HydrophobicContact SD-CG1 4.03Å; M349-I372 HydrophobicContact CG-CG2 4.02Å; M349-I372 HydrophobicContact SD-CG2 3.24Å; M349-I372 WeakPolarHBondContact SD-CG2 3.42Å; M349-I373 PolarHBondContact N-O 2.97Å; M349-I375 PolarHBondContact O-N 2.85Å; M349-L408 CarbonylContact C-O 3.45Å; M349-L408 WeakPolarHBondContact CA-O 3.48Å; M349-L408 HydrophobicContact CB-CB 4.5Å; M349-L408 HydrophobicContact CE-CD2 3.87Å; M349-L408 HydrophobicContact CG-CB 4.13Å; M349-L408 HydrophobicContact CG-CD2 4.38Å; M349-Y506 HydrophobicContact CG-CD1 3.66Å; M349-Y506 HydrophobicContact CG-CE1 4.29Å; M349-Y506 HydrophobicContact CG-CG 4.31Å; M349-Y506 HydrophobicContact SD-CD1 4.01Å; M349-Y506 HydrophobicContact SD-CG 4.31Å; M349-F507 HydrophobicContact CE-CD1 4.04Å; M349-F507 HydrophobicContact CE-CE1 3.26Å; M349-F507 HydrophobicContact CE-CE2 4.22Å; M349-F507 HydrophobicContact CE-CZ 3.38Å
350	L	98	Very high	93.6	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	106.7	176.5	-173.9	66.2	0	0	0	109.8	I375 Y377 I387 M407 L408 F410	L350-I375 HydrophobicContact CD1-CB 4.31Å; L350-I375 HydrophobicContact CD1-CG2 4.04Å; L350-Y377 HydrophobicContact CD1-CD1 3.44Å; L350-Y377 VanDerWaalsContact CD1-CD1 3.44Å; L350-Y377 HydrophobicContact CD1-CE1 3.95Å; L350-Y377 HydrophobicContact CD1-CG 4.27Å; L350-Y377 HydrophobicContact CD2-CE1 4.28Å; L350-Y377 HydrophobicContact CG-CD1 3.7Å; L350-Y377 HydrophobicContact CG-CE1 3.64Å; L350-I387 HydrophobicContact CD1-CG2 3.74Å; L350-I387 HydrophobicContact CD2-CG2 3.78Å; L350-I387 HydrophobicContact CG-CG2 4.44Å; L350-M407 HydrophobicContact CB-CE 3.83Å; L350-M407 HydrophobicContact CD2-CE 3.93Å; L350-M407 HydrophobicContact CG-CE 4.49Å; L350-L408 PolarHBondContact N-O 3.41Å; L350-F410 PolarHBondContact O-N 2.92Å
351	I	97.9	Very high	94	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.9	-170.1	-59.3	161.3	0	0	0	109.6	M349 A358 I361 P374 I375 L376 Y377	M349-I351 HydrophobicContact CB-CD1 4.45Å; M349-I351 HydrophobicContact CB-CG1 4.44Å; M349-I351 HydrophobicContact CE-CD1 4.46Å; I351-A358 HydrophobicContact CG2-CB 4.24Å; I351-I361 HydrophobicContact CD1-CB 4.32Å; I351-I361 HydrophobicContact CD1-CG2 3.7Å; I351-I361 HydrophobicContact CG1-CG2 4.45Å; I351-I361 HydrophobicContact CG2-CD1 3.77Å; I351-P374 HydrophobicContact CD1-CB 4.28Å; I351-I375 PolarHBondContact N-O 3.09Å; I351-L376 HydrophobicContact CB-CD1 4.28Å; I351-L376 HydrophobicContact CG2-CD1 3.87Å; I351-L376 WeakPolarHBondContact O-CA 3.45Å; I351-Y377 VanDerWaalsContact C-CE1 3.43Å; I351-Y377 WeakPolarHBondContact O-CD1 3.46Å; I351-Y377 WeakPolarHBondContact O-CE1 3.5Å; I351-Y377 PolarHBondContact O-N 3.15Å
352	S	97.5	Very high	94.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	137.6	179.2	-168.4	0	0	0	0	112.5	K354 V355 Y377 F410	S352-K354 PolarHBondContact O-N 3.46Å; S352-K354 PolarHBondContact OG-N 3.18Å; S352-V355 WeakPolarHBondContact O-CG2 3.41Å; S352-V355 PolarHBondContact O-N 3.33Å; S352-Y377 VanDerWaalsContact CA-CE1 3.46Å; S352-Y377 VanDerWaalsContact CB-OH 3.26Å; S352-Y377 WeakPolarHBondContact CB-OH 3.47Å; S352-Y377 PolarHBondContact OG-OH 3.04Å; S352-F410 WeakPolarHBondContact CB-O 3.46Å; S352-F410 PolarHBondContact N-O 3.01Å
353	S	96.3	Very high	94.5	Very high	42 Å²	42	27.6 Å²	27.6	29%	0.294	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-13.9	167.9	68.5	0	0	0	0	114.4	Y377 D378 H379	S353-Y377 PolarHBondContact N-O 3.1Å; S353-D378 WeakPolarHBondContact CB-OD1 3.32Å; S353-D378 PolarHBondContact OG-OD1 3.12Å; S353-H379 WeakPolarHBondContact OG-CB 3.43Å; S353-H379 PolarHBondContact OG-N 2.79Å
354	K	95	Very high	94.7	Very high	69 Å²	69	25.9 Å²	25.9	30%	0.3	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-5.9	171.6	-62.8	-55.1	179.1	-161	0	114.7	S352 H379 E380 Q412	S352-K354 PolarHBondContact O-N 3.46Å; S352-K354 PolarHBondContact OG-N 3.18Å; K354-H379 HydrophobicContact CG-CB 3.69Å; K354-E380 WeakPolarHBondContact CE-OE1 3.42Å; K354-E380 IonicContact NZ-OE1 3.6Å; K354-E380 PolarHBondContact NZ-OE1 2.77Å; K354-Q412 HydrophobicContact CB-CG 4.1Å; K354-Q412 PolarHBondContact O-NE2 2.93Å
355	V	94.8	Very high	94.9	Very high	6 Å²	6	23 Å²	23	4%	0.036	12%	0.119	C	C	.	.	S	Bend	trans	-68.6	131.4	168.8	-174.7	0	0	0	0	108.2	S352 K357 A358 I361 F410 W515	S352-V355 WeakPolarHBondContact O-CG2 3.41Å; S352-V355 PolarHBondContact O-N 3.33Å; V355-K357 PolarHBondContact O-N 3.26Å; V355-A358 HydrophobicContact CB-CB 4.14Å; V355-A358 WeakPolarHBondContact O-CB 3.44Å; V355-A358 PolarHBondContact O-N 3.05Å; V355-A358 VanDerWaalsContact O-N 3.15Å; V355-I361 HydrophobicContact CB-CD1 4.13Å; V355-I361 HydrophobicContact CG1-CD1 3.67Å; V355-F410 HydrophobicContact CG1-CD1 4.46Å; V355-F410 HydrophobicContact CG1-CD2 4.15Å; V355-F410 HydrophobicContact CG1-CE1 4.06Å; V355-F410 HydrophobicContact CG1-CE2 3.71Å; V355-F410 HydrophobicContact CG1-CZ 3.67Å; V355-F410 HydrophobicContact CG2-CB 4.47Å; V355-F410 HydrophobicContact CG2-CD2 3.69Å; V355-F410 HydrophobicContact CG2-CE2 4.06Å; V355-F410 HydrophobicContact CG2-CG 3.99Å; V355-F410 WeakPolarHBondContact CG2-O 3.24Å; V355-W515 HydrophobicContact CG1-CH2 3.7Å; V355-W515 HydrophobicContact CG1-CZ2 3.96Å
356	P	92.6	Very high	95	Very high	40 Å²	40	25.6 Å²	25.6	26%	0.26	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	122.2	-177.6	-17	29.4	0	0	0	110.5	W515 Q519	P356-W515 WeakPolarHBondContact O-CZ2 3.5Å; P356-Q519 HydrophobicContact CB-CB 4.32Å; P356-Q519 HydrophobicContact CB-CG 4.38Å
357	K	91.1	Very high	94.9	Very high	41 Å²	41	34.6 Å²	34.6	18%	0.178	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	47.4	-171.5	-63.7	-155	-179.1	80.3	0	113.7	V355 E359 Y360 W515 Q519 S521 F526	V355-K357 PolarHBondContact O-N 3.26Å; K357-E359 VanDerWaalsContact C-N 3.25Å; K357-E359 VanDerWaalsContact C-OE2 3.25Å; K357-E359 WeakPolarHBondContact CA-OE1 3.36Å; K357-E359 VanDerWaalsContact CA-OE2 3.32Å; K357-E359 WeakPolarHBondContact CA-OE2 3.46Å; K357-E359 PolarHBondContact O-N 2.92Å; K357-Y360 HydrophobicContact CB-CD2 3.89Å; K357-Y360 HydrophobicContact CD-CD2 3.99Å; K357-Y360 HydrophobicContact CD-CE2 3.96Å; K357-Y360 HydrophobicContact CG-CD2 4.31Å; K357-Y360 HydrophobicContact CG-CE2 4.5Å; K357-Y360 PolarHBondContact O-N 3.1Å; K357-W515 PolarHBondContact O-NE1 3.4Å; K357-Q519 PolarHBondContact NZ-O 3.48Å; K357-Q519 VanDerWaalsContact NZ-O 3.08Å; K357-S521 PolarHBondContact NZ-O 3.3Å; K357-F526 HydrophobicContact CD-CD1 3.57Å; K357-F526 HydrophobicContact CD-CD2 4.14Å; K357-F526 HydrophobicContact CD-CE1 3.52Å; K357-F526 HydrophobicContact CD-CE2 4.11Å; K357-F526 HydrophobicContact CD-CG 3.9Å; K357-F526 HydrophobicContact CD-CZ 3.81Å
358	A	93.5	Very high	94.7	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.017	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-61	-34.3	177.3	0	0	0	0	0	112.8	I351 V355 Y360 I361 L376	I351-A358 HydrophobicContact CG2-CB 4.24Å; V355-A358 HydrophobicContact CB-CB 4.14Å; V355-A358 WeakPolarHBondContact O-CB 3.44Å; V355-A358 PolarHBondContact O-N 3.05Å; V355-A358 VanDerWaalsContact O-N 3.15Å; A358-Y360 PolarHBondContact O-N 3.24Å; A358-I361 HydrophobicContact CB-CD1 4.37Å; A358-I361 VanDerWaalsContact O-CB 3.29Å; A358-I361 WeakPolarHBondContact O-CB 3.32Å; A358-I361 WeakPolarHBondContact O-CG1 3.03Å; A358-I361 PolarHBondContact O-N 3.06Å; A358-L376 HydrophobicContact CB-CD1 3.85Å
359	E	91.1	Very high	94.5	Very high	108 Å²	108	39.3 Å²	39.3	51%	0.505	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-60	-28.1	179.5	64.6	-72.3	172.4	0	0	113.4	K357	K357-E359 VanDerWaalsContact C-N 3.25Å; K357-E359 VanDerWaalsContact C-OE2 3.25Å; K357-E359 WeakPolarHBondContact CA-OE1 3.36Å; K357-E359 VanDerWaalsContact CA-OE2 3.32Å; K357-E359 WeakPolarHBondContact CA-OE2 3.46Å; K357-E359 PolarHBondContact O-N 2.92Å
360	Y	92.1	Very high	94.3	Very high	41 Å²	41	43.9 Å²	43.9	16%	0.161	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-89.4	-5.7	174.8	-62.5	-93.4	0	0	0	113.8	K357 A358 T363 F526 D527 L530	K357-Y360 HydrophobicContact CB-CD2 3.89Å; K357-Y360 HydrophobicContact CD-CD2 3.99Å; K357-Y360 HydrophobicContact CD-CE2 3.96Å; K357-Y360 HydrophobicContact CG-CD2 4.31Å; K357-Y360 HydrophobicContact CG-CE2 4.5Å; K357-Y360 PolarHBondContact O-N 3.1Å; A358-Y360 PolarHBondContact O-N 3.24Å; Y360-T363 PolarHBondContact O-N 2.9Å; Y360-T363 PolarHBondContact O-OG1 3.34Å; Y360-F526 HydrophobicContact CD1-CB 4.29Å; Y360-F526 HydrophobicContact CE1-CB 3.58Å; Y360-F526 HydrophobicContact CE2-CB 4.31Å; Y360-D527 PolarHBondContact OH-OD1 2.92Å; Y360-D527 PolarHBondContact OH-OD2 2.82Å; Y360-L530 HydrophobicContact CD1-CD1 3.93Å; Y360-L530 HydrophobicContact CG-CD1 4.27Å
361	I	94.1	Very high	94.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-62.5	-37.4	-177.4	-65.4	177.9	0	0	0	112.5	I351 V355 A358 T363 I364 F410 F507 W515	I351-I361 HydrophobicContact CD1-CB 4.32Å; I351-I361 HydrophobicContact CD1-CG2 3.7Å; I351-I361 HydrophobicContact CG1-CG2 4.45Å; I351-I361 HydrophobicContact CG2-CD1 3.77Å; V355-I361 HydrophobicContact CB-CD1 4.13Å; V355-I361 HydrophobicContact CG1-CD1 3.67Å; A358-I361 HydrophobicContact CB-CD1 4.37Å; A358-I361 VanDerWaalsContact O-CB 3.29Å; A358-I361 WeakPolarHBondContact O-CB 3.32Å; A358-I361 WeakPolarHBondContact O-CG1 3.03Å; A358-I361 PolarHBondContact O-N 3.06Å; I361-T363 VanDerWaalsContact C-N 3.28Å; I361-T363 PolarHBondContact O-N 3.38Å; I361-I364 WeakPolarHBondContact O-CG1 3.34Å; I361-I364 PolarHBondContact O-N 3.17Å; I361-F410 HydrophobicContact CD1-CD1 3.96Å; I361-F410 HydrophobicContact CD1-CE1 3.83Å; I361-F507 HydrophobicContact CG2-CE1 3.68Å; I361-F507 HydrophobicContact CG2-CZ 4.43Å; I361-W515 HydrophobicContact CD1-CH2 3.91Å; I361-W515 HydrophobicContact CD1-CZ2 3.59Å; I361-W515 HydrophobicContact CG1-CH2 4.16Å; I361-W515 HydrophobicContact CG1-CZ2 3.51Å
362	P	92	Very high	94.2	Very high	12 Å²	12	44.4 Å²	44.4	8%	0.078	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-64	-24	178.1	-28.8	40.2	0	0	0	115.6	V101 I364	V101-P362 HydrophobicContact CB-CG 4.38Å; V101-P362 HydrophobicContact CG1-CG 3.94Å; V101-P362 HydrophobicContact CG2-CB 3.56Å; V101-P362 HydrophobicContact CG2-CG 3.55Å; P362-I364 VanDerWaalsContact C-N 3.29Å; P362-I364 PolarHBondContact O-N 3.08Å
363	T	92.2	Very high	94.1	Very high	38 Å²	38	45 Å²	45	23%	0.233	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-74.5	-22.3	177.7	69.7	0	0	0	0	112.6	Y360 I361 R367	Y360-T363 PolarHBondContact O-N 2.9Å; Y360-T363 PolarHBondContact O-OG1 3.34Å; I361-T363 VanDerWaalsContact C-N 3.28Å; I361-T363 PolarHBondContact O-N 3.38Å; T363-R367 PolarHBondContact O-NH2 3.42Å
364	I	94.9	Very high	94.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-98.7	3.7	-177.6	68.6	157.2	0	0	0	114.2	I361 P362 F507 D508 L511 Y512 W515 L530	I361-I364 WeakPolarHBondContact O-CG1 3.34Å; I361-I364 PolarHBondContact O-N 3.17Å; P362-I364 VanDerWaalsContact C-N 3.29Å; P362-I364 PolarHBondContact O-N 3.08Å; I364-F507 HydrophobicContact CD1-CD1 4.02Å; I364-F507 HydrophobicContact CD1-CE1 4.4Å; I364-F507 HydrophobicContact CG1-CD1 4.09Å; I364-F507 WeakPolarHBondContact O-CA 3.33Å; I364-D508 PolarHBondContact O-N 3.44Å; I364-L511 HydrophobicContact CB-CB 3.74Å; I364-L511 HydrophobicContact CG2-CB 3.74Å; I364-Y512 HydrophobicContact CD1-CD2 3.93Å; I364-W515 HydrophobicContact CD1-CB 3.92Å; I364-W515 HydrophobicContact CD1-CD2 3.94Å; I364-W515 HydrophobicContact CD1-CE3 4.04Å; I364-W515 HydrophobicContact CD1-CG 3.89Å; I364-W515 HydrophobicContact CG2-CB 4.19Å; I364-L530 HydrophobicContact CG2-CD1 4.43Å; I364-L530 HydrophobicContact CG2-CD2 3.99Å
365	I	96.6	Very high	94.3	Very high	16 Å²	16	41.9 Å²	41.9	8%	0.082	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-68.9	152.3	173.7	-72	176.7	0	0	0	110.3	M349 R367 I372 P374 F507	M349-I365 HydrophobicContact CE-CD1 3.89Å; M349-I365 HydrophobicContact CE-CG1 3.92Å; M349-I365 HydrophobicContact SD-CD1 3.73Å; M349-I365 HydrophobicContact SD-CG1 4.03Å; I365-R367 PolarHBondContact O-N 3.36Å; I365-I372 HydrophobicContact CG2-CB 4.3Å; I365-I372 HydrophobicContact CG2-CD1 4.5Å; I365-I372 HydrophobicContact CG2-CG2 3.72Å; I365-P374 HydrophobicContact CD1-CB 3.58Å; I365-P374 HydrophobicContact CD1-CG 3.84Å; I365-F507 HydrophobicContact CG1-CD1 4.34Å; I365-F507 HydrophobicContact CG1-CE1 4.49Å
366	R	96.1	Very high	94.4	Very high	86 Å²	86	42.3 Å²	42.3	33%	0.325	21%	0.209	S	C	.	.			trans	-60	116.5	172.9	-73.9	-167.3	75.1	144.5	-1.2	110.8	D368 I372 E504 Y506 F507	R366-D368 VanDerWaalsContact C-N 3.32Å; R366-D368 WeakPolarHBondContact CB-OD1 3.39Å; R366-D368 IonicContact CZ-OD1 2.74Å; R366-D368 IonicContact CZ-OD2 2.83Å; R366-D368 IonicContact NE-OD1 3.42Å; R366-D368 PolarHBondContact NE-OD1 3.48Å; R366-D368 IonicContact NE-OD2 3.15Å; R366-D368 PolarHBondContact NE-OD2 3.3Å; R366-D368 IonicContact NH2-OD1 2.72Å; R366-D368 IonicContact NH2-OD2 2.76Å; R366-D368 PolarHBondContact NH2-OD2 3.27Å; R366-I372 HydrophobicContact CB-CD1 3.77Å; R366-E504 WeakPolarHBondContact CD-O 3.29Å; R366-E504 PolarHBondContact NH1-O 3.37Å; R366-Y506 PolarHBondContact N-O 3.08Å; R366-Y506 VanDerWaalsContact N-O 3.12Å; R366-F507 WeakPolarHBondContact CG-O 3.46Å
367	R	93.5	Very high	94.7	Very high	188 Å²	188	40.5 Å²	40.5	71%	0.709	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.1	178.8	-53.5	-177.7	-167.2	171.4	4.1	112.7	T363 I365	T363-R367 PolarHBondContact O-NH2 3.42Å; I365-R367 PolarHBondContact O-N 3.36Å
368	D	93.5	Very high	95	Very high	110 Å²	110	40.2 Å²	40.2	59%	0.588	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-4.2	178.8	65.8	-57	0	0	0	114	R366	R366-D368 VanDerWaalsContact C-N 3.32Å; R366-D368 WeakPolarHBondContact CB-OD1 3.39Å; R366-D368 IonicContact CZ-OD1 2.74Å; R366-D368 IonicContact CZ-OD2 2.83Å; R366-D368 IonicContact NE-OD1 3.42Å; R366-D368 PolarHBondContact NE-OD1 3.48Å; R366-D368 IonicContact NE-OD2 3.15Å; R366-D368 PolarHBondContact NE-OD2 3.3Å; R366-D368 IonicContact NH2-OD1 2.72Å; R366-D368 IonicContact NH2-OD2 2.76Å; R366-D368 PolarHBondContact NH2-OD2 3.27Å
369	D	94.1	Very high	95.1	Very high	22 Å²	22	41 Å²	41	12%	0.118	20%	0.201	C	C	.	.			trans	-129.2	97.4	-177.7	-178.1	-3	0	0	0	111.1	K347 S371 I372	K347-D369 IonicContact NZ-OD1 2.97Å; K347-D369 IonicContact NZ-OD2 2.66Å; K347-D369 PolarHBondContact NZ-OD2 3.03Å; D369-S371 PolarHBondContact O-N 3.03Å; D369-S371 WeakPolarHBondContact OD1-CB 3.24Å; D369-S371 PolarHBondContact OD1-N 3.08Å; D369-S371 PolarHBondContact OD1-OG 3.5Å; D369-S371 PolarHBondContact OD2-OG 2.67Å; D369-I372 HydrophobicContact CB-CD1 3.79Å; D369-I372 HydrophobicContact CB-CG1 4.28Å; D369-I372 PolarHBondContact O-N 2.76Å
370	P	93.5	Very high	95.3	Very high	96 Å²	96	39.4 Å²	39.4	62%	0.623	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-7.2	-177.4	30.7	-35.7	0	0	0	113.6	L344 I372 Y398	L344-P370 HydrophobicContact CD1-CG 4.28Å; P370-I372 PolarHBondContact O-N 2.8Å; P370-Y398 VanDerWaalsContact O-CE2 3.29Å; P370-Y398 WeakPolarHBondContact O-CE2 3.31Å
371	S	95.3	Very high	95.5	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.007	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-8.2	176.9	72.6	0	0	0	0	113.6	K347 D369	K347-S371 WeakPolarHBondContact CD-OG 3.47Å; K347-S371 WeakPolarHBondContact CE-OG 3.36Å; K347-S371 PolarHBondContact N-O 2.99Å; D369-S371 PolarHBondContact O-N 3.03Å; D369-S371 WeakPolarHBondContact OD1-CB 3.24Å; D369-S371 PolarHBondContact OD1-N 3.08Å; D369-S371 PolarHBondContact OD1-OG 3.5Å; D369-S371 PolarHBondContact OD2-OG 2.67Å
372	I	97.4	Very high	95.7	Very high	15 Å²	15	44.3 Å²	44.3	8%	0.077	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	117.8	-176.2	-59.6	167.9	0	0	0	110.8	K347 M349 I365 R366 D369 P370 P374	K347-I372 HydrophobicContact CB-CG1 4.05Å; K347-I372 HydrophobicContact CD-CG1 4.04Å; K347-I372 WeakPolarHBondContact O-CA 3.24Å; M349-I372 HydrophobicContact CG-CG2 4.02Å; M349-I372 HydrophobicContact SD-CG2 3.24Å; M349-I372 WeakPolarHBondContact SD-CG2 3.42Å; I365-I372 HydrophobicContact CG2-CB 4.3Å; I365-I372 HydrophobicContact CG2-CD1 4.5Å; I365-I372 HydrophobicContact CG2-CG2 3.72Å; R366-I372 HydrophobicContact CB-CD1 3.77Å; D369-I372 HydrophobicContact CB-CD1 3.79Å; D369-I372 HydrophobicContact CB-CG1 4.28Å; D369-I372 PolarHBondContact O-N 2.76Å; P370-I372 PolarHBondContact O-N 2.8Å; I372-P374 WeakPolarHBondContact O-CD 3.29Å
373	I	97.2	Very high	95.9	Very high	13 Å²	13	47.1 Å²	47.1	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	98.7	-171.9	-59.1	176.6	0	0	0	109.7	P346 K347 V348 M349 I375 K394 L395 Y398	P346-I373 HydrophobicContact CB-CD1 4.17Å; K347-I373 PolarHBondContact O-N 3.43Å; V348-I373 HydrophobicContact CG2-CB 4.32Å; M349-I373 PolarHBondContact N-O 2.97Å; I373-I375 HydrophobicContact CG2-CG1 4.5Å; I373-K394 HydrophobicContact CG2-CB 3.74Å; I373-K394 HydrophobicContact CG2-CD 4.23Å; I373-K394 HydrophobicContact CG2-CG 4.34Å; I373-L395 HydrophobicContact CD1-CD2 4.24Å; I373-Y398 HydrophobicContact CD1-CD1 4.3Å; I373-Y398 HydrophobicContact CD1-CD2 4.27Å; I373-Y398 HydrophobicContact CD1-CG 3.84Å
374	P	97.4	Very high	96.2	Very high	40 Å²	40	45.8 Å²	45.8	26%	0.26	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	137.1	176.1	29.6	-33.1	0	0	0	113.5	I351 I365 I372	I351-P374 HydrophobicContact CD1-CB 4.28Å; I365-P374 HydrophobicContact CD1-CB 3.58Å; I365-P374 HydrophobicContact CD1-CG 3.84Å; I372-P374 WeakPolarHBondContact O-CD 3.29Å
375	I	97.6	Very high	96.3	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	113.6	175.7	-58.5	177.5	0	0	0	108	V348 M349 L350 I351 I373 E390 I391 K394	V348-I375 HydrophobicContact CG1-CD1 4.02Å; M349-I375 PolarHBondContact O-N 2.85Å; L350-I375 HydrophobicContact CD1-CB 4.31Å; L350-I375 HydrophobicContact CD1-CG2 4.04Å; I351-I375 PolarHBondContact N-O 3.09Å; I373-I375 HydrophobicContact CG2-CG1 4.5Å; I375-E390 HydrophobicContact CG2-CB 4.43Å; I375-E390 HydrophobicContact CG2-CG 3.96Å; I375-I391 HydrophobicContact CD1-CB 4.27Å; I375-I391 HydrophobicContact CD1-CG1 3.56Å; I375-K394 HydrophobicContact CD1-CB 4.18Å; I375-K394 HydrophobicContact CD1-CG 3.98Å; I375-K394 HydrophobicContact CG1-CG 4.08Å
376	L	97.4	Very high	96.3	Very high	16 Å²	16	49.8 Å²	49.8	8%	0.084	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	106	178.3	177.2	59.6	0	0	0	109.4	V101 T103 I351 A358	V101-L376 HydrophobicContact CG1-CB 4.27Å; V101-L376 HydrophobicContact CG1-CD2 3.91Å; T103-L376 HydrophobicContact CG2-CD2 3.92Å; T103-L376 HydrophobicContact CG2-CG 4.41Å; I351-L376 HydrophobicContact CB-CD1 4.28Å; I351-L376 HydrophobicContact CG2-CD1 3.87Å; I351-L376 WeakPolarHBondContact O-CA 3.45Å; A358-L376 HydrophobicContact CB-CD1 3.85Å
377	Y	97.4	Very high	96.4	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	144.5	-178.8	73.9	-87.2	0	0	0	111.3	L350 I351 S352 S353 H379 I387 L420 L421	L350-Y377 HydrophobicContact CD1-CD1 3.44Å; L350-Y377 VanDerWaalsContact CD1-CD1 3.44Å; L350-Y377 HydrophobicContact CD1-CE1 3.95Å; L350-Y377 HydrophobicContact CD1-CG 4.27Å; L350-Y377 HydrophobicContact CD2-CE1 4.28Å; L350-Y377 HydrophobicContact CG-CD1 3.7Å; L350-Y377 HydrophobicContact CG-CE1 3.64Å; I351-Y377 VanDerWaalsContact C-CE1 3.43Å; I351-Y377 WeakPolarHBondContact O-CD1 3.46Å; I351-Y377 WeakPolarHBondContact O-CE1 3.5Å; I351-Y377 PolarHBondContact O-N 3.15Å; S352-Y377 VanDerWaalsContact CA-CE1 3.46Å; S352-Y377 VanDerWaalsContact CB-OH 3.26Å; S352-Y377 WeakPolarHBondContact CB-OH 3.47Å; S352-Y377 PolarHBondContact OG-OH 3.04Å; S353-Y377 PolarHBondContact N-O 3.1Å; Y377-H379 HydrophobicContact CE2-CB 4.4Å; Y377-H379 PolarHBondContact O-N 3.2Å; Y377-I387 HydrophobicContact CD1-CD1 4.42Å; Y377-I387 HydrophobicContact CD2-CD1 3.78Å; Y377-I387 HydrophobicContact CD2-CG1 4.45Å; Y377-I387 HydrophobicContact CE2-CD1 4.18Å; Y377-I387 HydrophobicContact CG-CD1 3.91Å; Y377-I387 HydrophobicContact CG-CG1 4.21Å; Y377-L420 VanDerWaalsContact CE2-O 3.24Å; Y377-L420 WeakPolarHBondContact CE2-O 3.4Å; Y377-L420 PolarHBondContact OH-O 2.7Å; Y377-L420 VanDerWaalsContact OH-O 3.07Å; Y377-L421 HydrophobicContact CD2-CD2 3.89Å; Y377-L421 HydrophobicContact CE2-CD2 3.82Å
378	D	97.1	Very high	96.6	Very high	35 Å²	35	37 Å²	37	19%	0.187	20%	0.199	C	C	.	.			trans	-82.3	110.1	171.6	-171.1	12.7	0	0	0	111.8	S353 E380 H381 A382	S353-D378 WeakPolarHBondContact CB-OD1 3.32Å; S353-D378 PolarHBondContact OG-OD1 3.12Å; D378-E380 PolarHBondContact O-N 2.93Å; D378-E380 VanDerWaalsContact O-N 3.09Å; D378-E380 PolarHBondContact OD1-N 2.82Å; D378-H381 PolarHBondContact O-N 2.86Å; D378-H381 IonicContact OD2-CE1 2.82Å; D378-H381 IonicContact OD2-CG 2.79Å; D378-H381 IonicContact OD2-ND1 2.7Å; D378-H381 PolarHBondContact OD2-ND1 3.23Å; D378-A382 VanDerWaalsContact O-CB 3.24Å; D378-A382 WeakPolarHBondContact O-CB 3.42Å; D378-A382 PolarHBondContact O-N 3Å
379	H	96.4	Very high	96.8	Very high	19 Å²	19	37.5 Å²	37.5	9%	0.088	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-28.2	172.8	-179.1	84.2	0	0	0	114.3	S353 K354 Y377 Y419 L420 K422	S353-H379 WeakPolarHBondContact OG-CB 3.43Å; S353-H379 PolarHBondContact OG-N 2.79Å; K354-H379 HydrophobicContact CG-CB 3.69Å; Y377-H379 HydrophobicContact CE2-CB 4.4Å; Y377-H379 PolarHBondContact O-N 3.2Å; H379-Y419 PolarHBondContact CE1-O 3.3Å; H379-Y419 PolarHBondContact ND1-O 3.01Å; H379-L420 PolarHBondContact ND1-O 2.84Å; H379-K422 PolarHBondContact NE2-N 3.12Å; H379-K422 VanDerWaalsContact O-CB 3.25Å; H379-K422 WeakPolarHBondContact O-CB 3.1Å; H379-K422 PolarHBondContact O-N 3.02Å
380	E	95.9	Very high	97	Very high	74 Å²	74	37.3 Å²	37.3	35%	0.346	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-19.8	-176	-65.9	-140.1	-149.3	0	0	115.6	K354 D378 K422	K354-E380 WeakPolarHBondContact CE-OE1 3.42Å; K354-E380 IonicContact NZ-OE1 3.6Å; K354-E380 PolarHBondContact NZ-OE1 2.77Å; D378-E380 PolarHBondContact O-N 2.93Å; D378-E380 VanDerWaalsContact O-N 3.09Å; D378-E380 PolarHBondContact OD1-N 2.82Å; E380-K422 HydrophobicContact CB-CD 3.91Å; E380-K422 HydrophobicContact CG-CD 4.02Å; E380-K422 WeakPolarHBondContact O-CD 3.35Å; E380-K422 WeakPolarHBondContact OE2-CD 3.38Å; E380-K422 VanDerWaalsContact OE2-CE 3.24Å; E380-K422 WeakPolarHBondContact OE2-CE 3.41Å; E380-K422 IonicContact OE2-NZ 3.72Å; E380-K422 PolarHBondContact OE2-NZ 3.16Å
381	H	96.6	Very high	97.2	Very high	133 Å²	133	32.8 Å²	32.8	62%	0.616	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134.4	-22.7	-170.7	-57.2	109.6	0	0	0	115.2	D378	D378-H381 PolarHBondContact O-N 2.86Å; D378-H381 IonicContact OD2-CE1 2.82Å; D378-H381 IonicContact OD2-CG 2.79Å; D378-H381 IonicContact OD2-ND1 2.7Å; D378-H381 PolarHBondContact OD2-ND1 3.23Å
382	A	96.6	Very high	97.3	Very high	11 Å²	11	35.2 Å²	35.2	9%	0.091	18%	0.178	C	C	.	.			trans	-70.6	148.7	176	0	0	0	0	0	111.6	D378 D386 L421	D378-A382 VanDerWaalsContact O-CB 3.24Å; D378-A382 WeakPolarHBondContact O-CB 3.42Å; D378-A382 PolarHBondContact O-N 3Å; A382-D386 HydrophobicContact CB-CB 4.47Å; A382-L421 HydrophobicContact CB-CD2 4.15Å; A382-L421 WeakPolarHBondContact O-CD1 3.42Å; A382-L421 WeakPolarHBondContact O-CD2 3.31Å
383	T	97.1	Very high	97.3	Very high	70 Å²	70	39.4 Å²	39.4	43%	0.429	20%	0.195	S	C	.	.			trans	-95.5	177	167.8	68.8	0	0	0	0	111.1	E385 D386 L421	T383-E385 VanDerWaalsContact C-N 3.31Å; T383-E385 PolarHBondContact OG1-N 2.97Å; T383-D386 VanDerWaalsContact CB-OD2 3.3Å; T383-D386 WeakPolarHBondContact CB-OD2 3.36Å; T383-D386 WeakPolarHBondContact CG2-OD2 3.47Å; T383-D386 PolarHBondContact N-OD2 3.22Å; T383-D386 PolarHBondContact OG1-N 2.88Å; T383-D386 VanDerWaalsContact OG1-N 3.14Å; T383-D386 PolarHBondContact OG1-OD2 3.21Å; T383-L421 VanDerWaalsContact C-CD1 3.46Å
384	F	97.7	Very high	97.3	Very high	10 Å²	10	40.1 Å²	40.1	4%	0.044	20%	0.198	C	C	.	.	H	α-helix	trans	-67.8	-33.1	171.2	-76.1	-54.8	0	0	0	112	I387 L388 L420 L421 K424 D436 M437 F440	F384-I387 PolarHBondContact O-N 2.85Å; F384-L388 WeakPolarHBondContact O-CG 3.37Å; F384-L388 PolarHBondContact O-N 3.05Å; F384-L388 VanDerWaalsContact O-N 3.07Å; F384-L420 HydrophobicContact CE1-CB 4.19Å; F384-L420 HydrophobicContact CE1-CD1 4.01Å; F384-L420 HydrophobicContact CZ-CD1 4.35Å; F384-L421 HydrophobicContact CD1-CD1 3.75Å; F384-L421 HydrophobicContact CD2-CD1 4.32Å; F384-L421 HydrophobicContact CE1-CD1 3.87Å; F384-L421 HydrophobicContact CE1-CG 4.34Å; F384-L421 HydrophobicContact CE2-CD1 4.43Å; F384-L421 HydrophobicContact CG-CD1 3.99Å; F384-L421 HydrophobicContact CZ-CD1 4.21Å; F384-K424 HydrophobicContact CE2-CB 4.19Å; F384-K424 HydrophobicContact CE2-CD 4.25Å; F384-K424 HydrophobicContact CE2-CG 4.11Å; F384-K424 HydrophobicContact CZ-CB 4.08Å; F384-D436 HydrophobicContact CD2-CB 4.23Å; F384-D436 WeakPolarHBondContact CD2-OD2 3.39Å; F384-D436 VanDerWaalsContact CE2-OD2 3.31Å; F384-D436 WeakPolarHBondContact CE2-OD2 3.39Å; F384-M437 HydrophobicContact CE2-CG 4.06Å; F384-M437 HydrophobicContact CZ-CG 4.23Å; F384-F440 HydrophobicContact CB-CB 3.97Å; F384-F440 HydrophobicContact CB-CD2 3.75Å; F384-F440 HydrophobicContact CB-CG 4.12Å; F384-F440 HydrophobicContact CD1-CB 3.92Å; F384-F440 AromaticContact CD1-CD1 3.96Å; F384-F440 HydrophobicContact CD1-CD1 3.96Å; F384-F440 AromaticContact CD1-CD2 3.47Å; F384-F440 HydrophobicContact CD1-CD2 3.47Å; F384-F440 VanDerWaalsContact CD1-CD2 3.47Å; F384-F440 HydrophobicContact CD1-CE1 4.38Å; F384-F440 AromaticContact CD1-CE2 3.94Å; F384-F440 HydrophobicContact CD1-CE2 3.94Å; F384-F440 AromaticContact CD1-CG 3.48Å; F384-F440 HydrophobicContact CD1-CG 3.48Å; F384-F440 VanDerWaalsContact CD1-CG 3.48Å; F384-F440 HydrophobicContact CD1-CZ 4.37Å; F384-F440 HydrophobicContact CD2-CB 4.33Å; F384-F440 HydrophobicContact CE1-CD1 4.09Å; F384-F440 HydrophobicContact CE1-CD2 4.38Å; F384-F440 HydrophobicContact CE1-CE1 4.44Å; F384-F440 HydrophobicContact CE1-CG 4.05Å; F384-F440 HydrophobicContact CG-CB 3.83Å; F384-F440 AromaticContact CG-CD2 3.91Å; F384-F440 HydrophobicContact CG-CD2 3.91Å; F384-F440 AromaticContact CG-CG 3.89Å; F384-F440 HydrophobicContact CG-CG 3.89Å
385	E	97.5	Very high	97.3	Very high	74 Å²	74	38.4 Å²	38.4	35%	0.346	19%	0.187	S	C	.	.	H	α-helix	trans	-73.1	-40	178.7	-53.2	-41	120.9	0	0	112	T383 I387 L388 E389 H439	T383-E385 VanDerWaalsContact C-N 3.31Å; T383-E385 PolarHBondContact OG1-N 2.97Å; E385-I387 PolarHBondContact O-N 2.87Å; E385-I387 VanDerWaalsContact O-N 3.16Å; E385-L388 PolarHBondContact O-N 3.01Å; E385-L388 WeakPolarHBondContact OE2-CD1 3.49Å; E385-E389 WeakPolarHBondContact O-CB 3.39Å; E385-E389 WeakPolarHBondContact O-CG 3.36Å; E385-E389 PolarHBondContact O-N 2.82Å; E385-H439 IonicContact OE1-CD2 2.83Å
386	D	97.4	Very high	97.2	Very high	26 Å²	26	42.1 Å²	42.1	14%	0.139	21%	0.206	C	C	.	.	H	α-helix	trans	-57	-34.1	173.1	-61.3	-77	0	0	0	111.8	I104 R106 A382 T383 E390	I104-D386 HydrophobicContact CG2-CB 4.19Å; R106-D386 IonicContact NE-OD1 3.94Å; R106-D386 IonicContact NH2-OD1 2.65Å; A382-D386 HydrophobicContact CB-CB 4.47Å; T383-D386 VanDerWaalsContact CB-OD2 3.3Å; T383-D386 WeakPolarHBondContact CB-OD2 3.36Å; T383-D386 WeakPolarHBondContact CG2-OD2 3.47Å; T383-D386 PolarHBondContact N-OD2 3.22Å; T383-D386 PolarHBondContact OG1-N 2.88Å; T383-D386 VanDerWaalsContact OG1-N 3.14Å; T383-D386 PolarHBondContact OG1-OD2 3.21Å; D386-E390 WeakPolarHBondContact O-CB 3.39Å; D386-E390 PolarHBondContact O-N 3.16Å
387	I	98	Very high	97.1	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-71.8	-42.6	176.1	-71	172.1	0	0	0	111	L350 Y377 F384 E385 I391 L421 F440	L350-I387 HydrophobicContact CD1-CG2 3.74Å; L350-I387 HydrophobicContact CD2-CG2 3.78Å; L350-I387 HydrophobicContact CG-CG2 4.44Å; Y377-I387 HydrophobicContact CD1-CD1 4.42Å; Y377-I387 HydrophobicContact CD2-CD1 3.78Å; Y377-I387 HydrophobicContact CD2-CG1 4.45Å; Y377-I387 HydrophobicContact CE2-CD1 4.18Å; Y377-I387 HydrophobicContact CG-CD1 3.91Å; Y377-I387 HydrophobicContact CG-CG1 4.21Å; F384-I387 PolarHBondContact O-N 2.85Å; E385-I387 PolarHBondContact O-N 2.87Å; E385-I387 VanDerWaalsContact O-N 3.16Å; I387-I391 HydrophobicContact CG2-CD1 3.79Å; I387-I391 WeakPolarHBondContact O-CB 3.5Å; I387-I391 WeakPolarHBondContact O-CD1 3.48Å; I387-I391 WeakPolarHBondContact O-CG1 3.38Å; I387-I391 PolarHBondContact O-N 3.11Å; I387-L421 HydrophobicContact CD1-CD1 4.37Å; I387-L421 HydrophobicContact CD1-CD2 4.02Å; I387-L421 HydrophobicContact CD1-CG 4.38Å; I387-F440 HydrophobicContact CB-CE2 4.47Å; I387-F440 HydrophobicContact CG2-CE2 3.89Å; I387-F440 HydrophobicContact CG2-CZ 4.36Å
388	L	98.1	Very high	97	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-68.6	-45.1	179.3	-71.1	162.3	0	0	0	111.6	F384 E385 E390 I391 E392 F440 R443 L444 L447	F384-L388 WeakPolarHBondContact O-CG 3.37Å; F384-L388 PolarHBondContact O-N 3.05Å; F384-L388 VanDerWaalsContact O-N 3.07Å; E385-L388 PolarHBondContact O-N 3.01Å; E385-L388 WeakPolarHBondContact OE2-CD1 3.49Å; L388-E390 PolarHBondContact O-N 3.08Å; L388-I391 PolarHBondContact O-N 3.06Å; L388-E392 WeakPolarHBondContact O-CG 3.07Å; L388-E392 PolarHBondContact O-N 2.99Å; L388-F440 HydrophobicContact CD1-CD2 3.83Å; L388-F440 HydrophobicContact CD2-CD2 4.12Å; L388-F440 HydrophobicContact CD2-CE2 4.12Å; L388-F440 HydrophobicContact CG-CD2 3.86Å; L388-F440 HydrophobicContact CG-CE2 4.04Å; L388-R443 HydrophobicContact CD1-CB 3.84Å; L388-R443 HydrophobicContact CD1-CG 3.84Å; L388-R443 HydrophobicContact CD2-CB 4.15Å; L388-R443 HydrophobicContact CD2-CG 3.98Å; L388-R443 HydrophobicContact CG-CG 4.37Å; L388-L444 HydrophobicContact CD2-CB 4.11Å; L388-L447 HydrophobicContact CD2-CD1 4.18Å
389	E	97.8	Very high	96.8	Very high	121 Å²	121	51 Å²	51	57%	0.565	25%	0.247	S	C	*	.	H	α-helix	trans	-55.9	-49.7	173.7	-75.5	-175.9	-166.2	0	0	111.4	E385 I391 E392 K393	E385-E389 WeakPolarHBondContact O-CB 3.39Å; E385-E389 WeakPolarHBondContact O-CG 3.36Å; E385-E389 PolarHBondContact O-N 2.82Å; E389-I391 VanDerWaalsContact C-N 3.34Å; E389-I391 PolarHBondContact O-N 2.91Å; E389-E392 PolarHBondContact O-N 3.32Å; E389-K393 WeakPolarHBondContact O-CB 3.31Å; E389-K393 PolarHBondContact O-N 2.94Å
390	E	98	Very high	96.7	Very high	18 Å²	18	58.4 Å²	58.4	8%	0.084	28%	0.278	C	S	.	.	H	α-helix	trans	-67.3	-34.3	179.8	-167	64.4	-151	0	0	111.6	I104 I375 D386 L388 K393 K394	I104-E390 HydrophobicContact CD1-CB 3.88Å; I104-E390 HydrophobicContact CD1-CG 4.14Å; I375-E390 HydrophobicContact CG2-CB 4.43Å; I375-E390 HydrophobicContact CG2-CG 3.96Å; D386-E390 WeakPolarHBondContact O-CB 3.39Å; D386-E390 PolarHBondContact O-N 3.16Å; L388-E390 PolarHBondContact O-N 3.08Å; E390-K393 IonicContact OE1-NZ 2.89Å; E390-K393 PolarHBondContact OE1-NZ 2.97Å; E390-K393 WeakPolarHBondContact OE2-CD 3.46Å; E390-K393 WeakPolarHBondContact OE2-CE 3.33Å; E390-K393 IonicContact OE2-NZ 3.45Å; E390-K393 PolarHBondContact OE2-NZ 3.11Å; E390-K394 HydrophobicContact CG-CG 4.15Å; E390-K394 WeakPolarHBondContact O-CB 3.18Å; E390-K394 WeakPolarHBondContact O-CG 3.5Å; E390-K394 PolarHBondContact O-N 2.97Å; E390-K394 WeakPolarHBondContact OE1-CE 3.47Å; E390-K394 IonicContact OE1-NZ 2.79Å
391	I	98.2	Very high	96.5	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-51	172	-71.7	166.1	0	0	0	111	V348 I375 I387 L388 E389 K393 K394 L395 I404 M407 L444 L447	V348-I391 HydrophobicContact CG1-CG1 4.37Å; I375-I391 HydrophobicContact CD1-CB 4.27Å; I375-I391 HydrophobicContact CD1-CG1 3.56Å; I387-I391 HydrophobicContact CG2-CD1 3.79Å; I387-I391 WeakPolarHBondContact O-CB 3.5Å; I387-I391 WeakPolarHBondContact O-CD1 3.48Å; I387-I391 WeakPolarHBondContact O-CG1 3.38Å; I387-I391 PolarHBondContact O-N 3.11Å; L388-I391 PolarHBondContact O-N 3.06Å; E389-I391 VanDerWaalsContact C-N 3.34Å; E389-I391 PolarHBondContact O-N 2.91Å; I391-K393 PolarHBondContact O-N 3.5Å; I391-K394 PolarHBondContact O-N 3.1Å; I391-L395 HydrophobicContact CG2-CD1 3.85Å; I391-L395 HydrophobicContact CG2-CG 4.5Å; I391-L395 WeakPolarHBondContact O-CB 3.49Å; I391-L395 WeakPolarHBondContact O-CG 3.28Å; I391-L395 PolarHBondContact O-N 3.32Å; I391-I404 HydrophobicContact CG2-CD1 3.85Å; I391-M407 HydrophobicContact CD1-CE 4.06Å; I391-L444 HydrophobicContact CD1-CD1 4.18Å; I391-L447 HydrophobicContact CB-CD1 4.48Å; I391-L447 HydrophobicContact CG2-CD1 3.79Å
392	E	97.3	Very high	96.3	Very high	52 Å²	52	50.2 Å²	50.2	24%	0.243	25%	0.249	C	C	.	.	H	α-helix	trans	-62.2	-43.2	-179.9	-71.9	-168.3	-155.3	0	0	111.5	L388 E389 N396 R443 L447	L388-E392 WeakPolarHBondContact O-CG 3.07Å; L388-E392 PolarHBondContact O-N 2.99Å; E389-E392 PolarHBondContact O-N 3.32Å; E392-N396 WeakPolarHBondContact O-CB 3.32Å; E392-N396 PolarHBondContact O-N 2.73Å; E392-N396 PolarHBondContact O-ND2 3.37Å; E392-R443 IonicContact OE1-CZ 3.5Å; E392-R443 VanDerWaalsContact OE1-CZ 3.25Å; E392-R443 IonicContact OE1-NE 3.97Å; E392-R443 PolarHBondContact OE1-NE 3.11Å; E392-R443 IonicContact OE1-NH2 3.78Å; E392-R443 PolarHBondContact OE1-NH2 2.84Å; E392-R443 IonicContact OE2-NH2 2.59Å; E392-R443 PolarHBondContact OE2-NH2 2.75Å; E392-L447 HydrophobicContact CG-CD1 3.59Å; E392-L447 HydrophobicContact CG-CD2 3.59Å; E392-L447 HydrophobicContact CG-CG 4.24Å
393	K	97.6	Very high	96.2	Very high	103 Å²	103	51.8 Å²	51.8	45%	0.448	25%	0.254	S	S	.	.	H	α-helix	trans	-59.5	-48.4	173.9	172.2	-179.5	159	-158.9	0	112	E389 E390 I391 N396 I397	E389-K393 WeakPolarHBondContact O-CB 3.31Å; E389-K393 PolarHBondContact O-N 2.94Å; E390-K393 IonicContact OE1-NZ 2.89Å; E390-K393 PolarHBondContact OE1-NZ 2.97Å; E390-K393 WeakPolarHBondContact OE2-CD 3.46Å; E390-K393 WeakPolarHBondContact OE2-CE 3.33Å; E390-K393 IonicContact OE2-NZ 3.45Å; E390-K393 PolarHBondContact OE2-NZ 3.11Å; I391-K393 PolarHBondContact O-N 3.5Å; K393-N396 PolarHBondContact O-N 2.86Å; K393-I397 HydrophobicContact CG-CD1 3.93Å; K393-I397 VanDerWaalsContact O-CG1 3.28Å; K393-I397 WeakPolarHBondContact O-CG1 3.48Å; K393-I397 PolarHBondContact O-N 2.73Å
394	K	97.2	Very high	96.2	Very high	27 Å²	27	48.5 Å²	48.5	12%	0.117	23%	0.234	C	C	.	.	H	α-helix	trans	-66.1	-40.6	-179.2	-73.1	-83.9	174.4	174.4	0	112.8	I373 I375 E390 I391 I397 Y398	I373-K394 HydrophobicContact CG2-CB 3.74Å; I373-K394 HydrophobicContact CG2-CD 4.23Å; I373-K394 HydrophobicContact CG2-CG 4.34Å; I375-K394 HydrophobicContact CD1-CB 4.18Å; I375-K394 HydrophobicContact CD1-CG 3.98Å; I375-K394 HydrophobicContact CG1-CG 4.08Å; E390-K394 HydrophobicContact CG-CG 4.15Å; E390-K394 WeakPolarHBondContact O-CB 3.18Å; E390-K394 WeakPolarHBondContact O-CG 3.5Å; E390-K394 PolarHBondContact O-N 2.97Å; E390-K394 WeakPolarHBondContact OE1-CE 3.47Å; E390-K394 IonicContact OE1-NZ 2.79Å; I391-K394 PolarHBondContact O-N 3.1Å; K394-I397 PolarHBondContact O-N 3.26Å; K394-Y398 PolarHBondContact O-N 3.47Å
395	L	96.6	Very high	96	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-61.3	-46	173.6	-73.1	167.2	0	0	0	111.1	P346 V348 I373 I391 I397 Y398 H399 I404	P346-L395 HydrophobicContact CB-CD2 3.7Å; P346-L395 HydrophobicContact CG-CD2 3.87Å; V348-L395 HydrophobicContact CG2-CD2 4.07Å; I373-L395 HydrophobicContact CD1-CD2 4.24Å; I391-L395 HydrophobicContact CG2-CD1 3.85Å; I391-L395 HydrophobicContact CG2-CG 4.5Å; I391-L395 WeakPolarHBondContact O-CB 3.49Å; I391-L395 WeakPolarHBondContact O-CG 3.28Å; I391-L395 PolarHBondContact O-N 3.32Å; L395-I397 VanDerWaalsContact C-N 3.34Å; L395-I397 PolarHBondContact O-N 3.42Å; L395-Y398 PolarHBondContact O-N 3.19Å; L395-H399 CarbonylContact O-C 3.52Å; L395-H399 PolarHBondContact O-N 3.41Å; L395-I404 HydrophobicContact CD1-CD1 4.38Å; L395-I404 HydrophobicContact CD1-CG1 3.81Å; L395-I404 HydrophobicContact CD2-CG1 4.19Å
396	N	95.2	Very high	96	Very high	82 Å²	82	48.4 Å²	48.4	44%	0.439	23%	0.231	S	C	.	.	H	α-helix	trans	-67.3	-29.9	178.5	-78.1	-61.2	0	0	0	113.9	E392 K393 G401	E392-N396 WeakPolarHBondContact O-CB 3.32Å; E392-N396 PolarHBondContact O-N 2.73Å; E392-N396 PolarHBondContact O-ND2 3.37Å; K393-N396 PolarHBondContact O-N 2.86Å; N396-G401 PolarHBondContact OD1-N 2.81Å
397	I	95.6	Very high	96	Very high	124 Å²	124	47.1 Å²	47.1	64%	0.636	22%	0.224	S	C	*	.	H	α-helix	trans	-69.6	-40.1	171.4	-70.5	163.8	0	0	0	111.2	K393 K394 L395	K393-I397 HydrophobicContact CG-CD1 3.93Å; K393-I397 VanDerWaalsContact O-CG1 3.28Å; K393-I397 WeakPolarHBondContact O-CG1 3.48Å; K393-I397 PolarHBondContact O-N 2.73Å; K394-I397 PolarHBondContact O-N 3.26Å; L395-I397 VanDerWaalsContact C-N 3.34Å; L395-I397 PolarHBondContact O-N 3.42Å
398	Y	94.8	Very high	96	Very high	68 Å²	68	47 Å²	47	27%	0.267	22%	0.224	S	C	.	.	H	α-helix	trans	-67.3	-54.4	177.4	172.2	-99.2	0	0	0	111.9	F343 L344 P346 P370 I373 K394 L395	F343-Y398 HydrophobicContact CE2-CE1 4.09Å; L344-Y398 PolarHBondContact O-OH 2.96Å; P346-Y398 HydrophobicContact CG-CD1 3.85Å; P346-Y398 HydrophobicContact CG-CE1 3.73Å; P370-Y398 VanDerWaalsContact O-CE2 3.29Å; P370-Y398 WeakPolarHBondContact O-CE2 3.31Å; I373-Y398 HydrophobicContact CD1-CD1 4.3Å; I373-Y398 HydrophobicContact CD1-CD2 4.27Å; I373-Y398 HydrophobicContact CD1-CG 3.84Å; K394-Y398 PolarHBondContact O-N 3.47Å; L395-Y398 PolarHBondContact O-N 3.19Å
399	H	93.8	Very high	96	Very high	48 Å²	48	46.9 Å²	46.9	22%	0.222	22%	0.223	C	C	.	.	S	Bend	trans	-160.4	121.1	172.5	-171.1	-67.9	0	0	0	109.4	A337 T340 F343 L395 G401 A402	A337-H399 PolarHBondContact O-CE1 3.28Å; T340-H399 PolarHBondContact OG1-NE2 3.46Å; F343-H399 HydrophobicContact CD2-CB 4.34Å; F343-H399 AromaticContact CD2-CD2 3.88Å; F343-H399 HydrophobicContact CE2-CB 4.05Å; L395-H399 CarbonylContact O-C 3.52Å; L395-H399 PolarHBondContact O-N 3.41Å; H399-G401 PolarHBondContact O-N 3.39Å; H399-A402 HydrophobicContact CB-CB 3.98Å; H399-A402 WeakPolarHBondContact O-CB 3.48Å; H399-A402 PolarHBondContact O-N 3.26Å
400	K	93.2	Very high	96	Very high	173 Å²	173	41.2 Å²	41.2	75%	0.752	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	131.4	179.9	-172.3	177.5	-179.6	-179.5	0	111	A402	K400-A402 VanDerWaalsContact C-N 3.26Å; K400-A402 PolarHBondContact O-N 2.81Å
401	G	91.6	Very high	95.9	Very high	31 Å²	31	40.4 Å²	40.4	32%	0.32	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	-4.8	-179.6	0	0	0	0	0	116.1	N396 H399	N396-G401 PolarHBondContact OD1-N 2.81Å; H399-G401 PolarHBondContact O-N 3.39Å
402	A	93	Very high	95.8	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.033	21%	0.213	C	C	.	.			trans	-68.1	154.8	177.1	0	0	0	0	0	112.6	F343 P346 H399 K400	F343-A402 HydrophobicContact CE2-CB 3.8Å; F343-A402 HydrophobicContact CZ-CB 3.94Å; P346-A402 HydrophobicContact CG-CB 3.94Å; H399-A402 HydrophobicContact CB-CB 3.98Å; H399-A402 WeakPolarHBondContact O-CB 3.48Å; H399-A402 PolarHBondContact O-N 3.26Å; K400-A402 VanDerWaalsContact C-N 3.26Å; K400-A402 PolarHBondContact O-N 2.81Å
403	K	94.8	Very high	95.7	Very high	45 Å²	45	43.4 Å²	43.4	20%	0.196	21%	0.213	C	C	.	.			trans	-133.3	155.2	-173.4	-63	-72.2	-172.7	161.4	0	110.8	E334 P346 W405 R446 L447	E334-K403 HydrophobicContact CG-CB 4.29Å; E334-K403 HydrophobicContact CG-CG 3.85Å; E334-K403 WeakPolarHBondContact OE2-CG 3.48Å; P346-K403 WeakPolarHBondContact CD-O 3.47Å; K403-W405 PolarHBondContact O-N 2.76Å; K403-R446 PolarHBondContact NZ-O 3.14Å; K403-L447 CarbonylContact C-O 3.47Å; K403-L447 WeakPolarHBondContact CA-O 3.46Å; K403-L447 WeakPolarHBondContact CB-O 3.32Å
404	I	96.1	Very high	95.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-71.1	121.3	-173.5	-49.2	176.2	0	0	0	110.1	V348 I391 L395 K406 M407 L444 L447 M448 S449 N456	V348-I404 HydrophobicContact CB-CD1 4.28Å; V348-I404 HydrophobicContact CB-CG1 4.45Å; V348-I404 HydrophobicContact CB-CG2 4.22Å; V348-I404 HydrophobicContact CG2-CD1 4.05Å; V348-I404 HydrophobicContact CG2-CG1 3.82Å; V348-I404 HydrophobicContact CG2-CG2 4.2Å; I391-I404 HydrophobicContact CG2-CD1 3.85Å; L395-I404 HydrophobicContact CD1-CD1 4.38Å; L395-I404 HydrophobicContact CD1-CG1 3.81Å; L395-I404 HydrophobicContact CD2-CG1 4.19Å; I404-K406 VanDerWaalsContact CG2-O 3.27Å; I404-K406 WeakPolarHBondContact CG2-O 3.29Å; I404-M407 HydrophobicContact CG2-CB 4.11Å; I404-L444 HydrophobicContact CD1-CD1 4.13Å; I404-L447 HydrophobicContact CD1-CB 4.28Å; I404-L447 PolarHBondContact N-O 3.27Å; I404-M448 HydrophobicContact CB-CE 3.97Å; I404-M448 HydrophobicContact CB-SD 3.82Å; I404-M448 HydrophobicContact CD1-SD 4.09Å; I404-M448 HydrophobicContact CG1-SD 4.47Å; I404-M448 HydrophobicContact CG2-CE 3.79Å; I404-M448 HydrophobicContact CG2-SD 4.06Å; I404-M448 CarbonylContact O-C 3.53Å; I404-M448 WeakPolarHBondContact O-CA 3.4Å; I404-S449 PolarHBondContact O-N 2.91Å; I404-N456 PolarHBondContact O-OD1 3.28Å
405	W	94.9	Very high	95.5	Very high	49 Å²	49	40.4 Å²	40.4	19%	0.186	21%	0.209	C	C	.	.	S	Bend	trans	-89.6	-47.5	171.5	177.9	42.5	0	0	0	111.7	P345 P346 K403 E454 N456 V457	P345-W405 HydrophobicContact CB-CB 3.65Å; P345-W405 HydrophobicContact CB-CD2 4.04Å; P345-W405 HydrophobicContact CB-CE3 3.88Å; P345-W405 HydrophobicContact CB-CG 4Å; P345-W405 HydrophobicContact CG-CE3 4.47Å; P346-W405 PolarHBondContact O-N 2.8Å; K403-W405 PolarHBondContact O-N 2.76Å; W405-E454 HydrophobicContact CZ2-CB 4.44Å; W405-E454 VanDerWaalsContact CZ2-OE2 3.29Å; W405-E454 WeakPolarHBondContact CZ2-OE2 3.18Å; W405-N456 WeakPolarHBondContact O-CA 3.19Å; W405-N456 WeakPolarHBondContact O-CB 3.31Å; W405-V457 PolarHBondContact O-N 3.45Å
406	K	96.6	Very high	95.5	Very high	33 Å²	33	40.4 Å²	40.4	14%	0.143	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.9	175.6	-57.1	-171.9	-179	-179.1	0	109.5	P346 K347 V348 I404 E454 V457	P346-K406 PolarHBondContact O-N 2.85Å; K347-K406 CarbonylContact C-O 3.58Å; K347-K406 VanDerWaalsContact CA-O 3.25Å; K347-K406 WeakPolarHBondContact CA-O 3.49Å; V348-K406 PolarHBondContact N-O 3.34Å; I404-K406 VanDerWaalsContact CG2-O 3.27Å; I404-K406 WeakPolarHBondContact CG2-O 3.29Å; K406-E454 IonicContact NZ-OE2 2.63Å; K406-E454 PolarHBondContact NZ-OE2 3.47Å; K406-V457 WeakPolarHBondContact CA-O 3.5Å; K406-V457 HydrophobicContact CG-CB 4.43Å
407	M	97.9	Very high	95.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	145.7	178	-160.6	-174.3	-173.5	0	0	109.8	V348 L350 I391 I404 I409 L444 V457 I458 H459 Y506	V348-M407 HydrophobicContact CB-CG 4.42Å; V348-M407 CarbonylContact O-C 3.58Å; V348-M407 VanDerWaalsContact O-CA 3.25Å; V348-M407 WeakPolarHBondContact O-CA 3.44Å; V348-M407 WeakPolarHBondContact O-CG 3.28Å; L350-M407 HydrophobicContact CB-CE 3.83Å; L350-M407 HydrophobicContact CD2-CE 3.93Å; L350-M407 HydrophobicContact CG-CE 4.49Å; I391-M407 HydrophobicContact CD1-CE 4.06Å; I404-M407 HydrophobicContact CG2-CB 4.11Å; M407-I409 HydrophobicContact CE-CD1 4.44Å; M407-I409 HydrophobicContact CE-CG1 4.1Å; M407-I409 HydrophobicContact CG-CG1 4.45Å; M407-I409 HydrophobicContact SD-CD1 4.19Å; M407-I409 HydrophobicContact SD-CG1 4.01Å; M407-L444 HydrophobicContact CE-CD1 4.25Å; M407-L444 HydrophobicContact CE-CD2 4.37Å; M407-L444 HydrophobicContact SD-CD1 4.36Å; M407-L444 HydrophobicContact SD-CD2 4.13Å; M407-V457 PolarHBondContact N-O 3.46Å; M407-I458 HydrophobicContact CB-CB 4.4Å; M407-I458 HydrophobicContact CB-CG1 3.94Å; M407-I458 HydrophobicContact CB-CG2 4.3Å; M407-I458 HydrophobicContact SD-CD1 4.17Å; M407-I458 HydrophobicContact SD-CG1 4.42Å; M407-I458 HydrophobicContact SD-CG2 4.38Å; M407-H459 WeakPolarHBondContact O-CB 3.34Å; M407-H459 PolarHBondContact O-N 3.4Å; M407-H459 PolarHBondContact O-ND1 3.3Å; M407-Y506 PolarHBondContact O-OH 3.36Å
408	L	98.2	Very high	95.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.9	164.5	-176.6	69.8	0	0	0	109.2	V348 M349 L350 H459 M461 M502 Y506 F507	V348-L408 PolarHBondContact O-N 2.91Å; M349-L408 CarbonylContact C-O 3.45Å; M349-L408 WeakPolarHBondContact CA-O 3.48Å; M349-L408 HydrophobicContact CB-CB 4.5Å; M349-L408 HydrophobicContact CE-CD2 3.87Å; M349-L408 HydrophobicContact CG-CB 4.13Å; M349-L408 HydrophobicContact CG-CD2 4.38Å; L350-L408 PolarHBondContact N-O 3.41Å; L408-H459 CarbonylContact C-O 3.58Å; L408-H459 WeakPolarHBondContact CA-O 3.14Å; L408-H459 HydrophobicContact CD1-CB 3.76Å; L408-M461 HydrophobicContact CD1-CB 3.76Å; L408-M461 HydrophobicContact CD1-SD 4Å; L408-M461 HydrophobicContact CD2-SD 4.18Å; L408-M502 HydrophobicContact CD1-SD 4.4Å; L408-Y506 HydrophobicContact CB-CD1 4.19Å; L408-Y506 HydrophobicContact CB-CD2 4.16Å; L408-Y506 HydrophobicContact CB-CE1 3.95Å; L408-Y506 HydrophobicContact CB-CE2 3.94Å; L408-Y506 HydrophobicContact CB-CG 4.3Å; L408-Y506 HydrophobicContact CD1-CD2 4.29Å; L408-Y506 HydrophobicContact CD1-CE2 4.16Å; L408-Y506 HydrophobicContact CD2-CD2 4.01Å; L408-Y506 HydrophobicContact CD2-CG 4.09Å; L408-Y506 HydrophobicContact CG-CD2 4.39Å; L408-Y506 HydrophobicContact CG-CE2 4.44Å; L408-F507 HydrophobicContact CD2-CE2 3.68Å; L408-F507 HydrophobicContact CD2-CZ 3.67Å
409	I	97.9	Very high	95.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	103.3	168.1	-57.2	177.5	0	0	0	107.5	M407 C411 L420 W441 I458 H459 I460 M461	M407-I409 HydrophobicContact CE-CD1 4.44Å; M407-I409 HydrophobicContact CE-CG1 4.1Å; M407-I409 HydrophobicContact CG-CG1 4.45Å; M407-I409 HydrophobicContact SD-CD1 4.19Å; M407-I409 HydrophobicContact SD-CG1 4.01Å; I409-C411 HydrophobicContact CG2-CB 4.44Å; I409-L420 HydrophobicContact CG2-CD2 4.02Å; I409-W441 HydrophobicContact CD1-CH2 3.76Å; I409-W441 HydrophobicContact CD1-CZ3 4.21Å; I409-I458 HydrophobicContact CD1-CG2 3.75Å; I409-I458 HydrophobicContact CG1-CG2 4.07Å; I409-H459 PolarHBondContact N-O 3.39Å; I409-I460 HydrophobicContact CB-CG1 4.39Å; I409-I460 HydrophobicContact CB-CG2 4.34Å; I409-I460 WeakPolarHBondContact O-CA 3.29Å; I409-M461 PolarHBondContact O-N 2.66Å
410	F	97.3	Very high	95.7	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.013	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	100.8	177.6	-161.7	173.2	0	0	0	109.3	L350 S352 V355 I361 M461 F507 Y512 W515	L350-F410 PolarHBondContact O-N 2.92Å; S352-F410 WeakPolarHBondContact CB-O 3.46Å; S352-F410 PolarHBondContact N-O 3.01Å; V355-F410 HydrophobicContact CG1-CD1 4.46Å; V355-F410 HydrophobicContact CG1-CD2 4.15Å; V355-F410 HydrophobicContact CG1-CE1 4.06Å; V355-F410 HydrophobicContact CG1-CE2 3.71Å; V355-F410 HydrophobicContact CG1-CZ 3.67Å; V355-F410 HydrophobicContact CG2-CB 4.47Å; V355-F410 HydrophobicContact CG2-CD2 3.69Å; V355-F410 HydrophobicContact CG2-CE2 4.06Å; V355-F410 HydrophobicContact CG2-CG 3.99Å; V355-F410 WeakPolarHBondContact CG2-O 3.24Å; I361-F410 HydrophobicContact CD1-CD1 3.96Å; I361-F410 HydrophobicContact CD1-CE1 3.83Å; F410-M461 HydrophobicContact CD2-CB 4.28Å; F410-M461 HydrophobicContact CD2-CG 4.11Å; F410-M461 WeakPolarHBondContact CD2-O 3.48Å; F410-M461 HydrophobicContact CE1-CE 4.19Å; F410-M461 HydrophobicContact CE2-CG 4.14Å; F410-M461 HydrophobicContact CG-CG 4.43Å; F410-M461 HydrophobicContact CZ-CE 4.16Å; F410-M461 HydrophobicContact CZ-CG 4.48Å; F410-F507 HydrophobicContact CD1-CZ 4.09Å; F410-F507 HydrophobicContact CE1-CZ 4.24Å; F410-Y512 HydrophobicContact CE1-CE2 4.48Å; F410-W515 AromaticContact CE1-CH2 3.83Å; F410-W515 HydrophobicContact CE1-CH2 3.83Å; F410-W515 HydrophobicContact CE1-CZ3 4.07Å; F410-W515 AromaticContact CZ-CH2 3.65Å; F410-W515 HydrophobicContact CZ-CH2 3.65Å; F410-W515 AromaticContact CZ-CZ3 3.91Å; F410-W515 HydrophobicContact CZ-CZ3 3.91Å
411	C	96.8	Very high	95.9	Very high	1 Å²	1	24 Å²	24	1%	0.007	13%	0.13	C	C	.	.			trans	-145.2	168.7	-176.3	64.3	0	0	0	0	111.9	I409 M461 G462	I409-C411 HydrophobicContact CG2-CB 4.44Å; C411-M461 PolarHBondContact N-O 2.63Å; C411-M461 VanDerWaalsContact N-O 3.1Å; C411-M461 VanDerWaalsContact O-O 3.05Å; C411-G462 CarbonylContact O-C 3.57Å
412	Q	95	Very high	96	Very high	91 Å²	91	26.8 Å²	26.8	43%	0.425	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	157.5	170	-66	-160.9	14.7	0	0	110.9	K354 Y419	K354-Q412 HydrophobicContact CB-CG 4.1Å; K354-Q412 PolarHBondContact O-NE2 2.93Å; Q412-Y419 HydrophobicContact CB-CD2 4.15Å; Q412-Y419 WeakPolarHBondContact O-CB 3.47Å; Q412-Y419 PolarHBondContact O-N 2.87Å
413	G	95.2	Very high	96	Very high	24 Å²	24	33.4 Å²	33.4	25%	0.247	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.9	-157.4	179.5	0	0	0	0	0	111.1	H417	G413-H417 WeakPolarHBondContact CA-O 3.44Å
414	G	94.7	Very high	95.9	Very high	7 Å²	7	33.8 Å²	33.8	7%	0.072	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174	-167.4	173	0	0	0	0	0	111.6	G416 H417 Y464	G414-G416 PolarHBondContact O-N 2.76Å; G414-H417 VanDerWaalsContact CA-CE1 3.47Å; G414-H417 WeakPolarHBondContact CA-CE1 3.42Å; G414-H417 PolarHBondContact N-O 2.89Å; G414-H417 PolarHBondContact O-N 3.49Å; G414-Y464 CarbonylContact C-O 3.52Å
415	P	96	Very high	95.8	Very high	61 Å²	61	35.5 Å²	35.5	40%	0.396	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	114.7	179.3	-30.8	38.2	0	0	0	112.1	H417 Y464 I465 N468	P415-H417 PolarHBondContact O-N 3.47Å; P415-H417 PolarHBondContact O-ND1 2.88Å; P415-Y464 WeakPolarHBondContact CA-O 3.41Å; P415-I465 WeakPolarHBondContact CA-O 3.47Å; P415-N468 HydrophobicContact CB-CB 4.11Å; P415-N468 VanDerWaalsContact CB-ND2 3.27Å; P415-N468 WeakPolarHBondContact CB-ND2 3.49Å; P415-N468 PolarHBondContact O-ND2 2.83Å
416	G	96	Very high	95.9	Very high	5 Å²	5	33.2 Å²	33.2	5%	0.052	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	14.7	179.1	0	0	0	0	0	117.5	G414 I465 N468	G414-G416 PolarHBondContact O-N 2.76Å; G416-I465 PolarHBondContact N-O 3.25Å; G416-N468 VanDerWaalsContact CA-OD1 3.31Å; G416-N468 WeakPolarHBondContact CA-OD1 3.29Å; G416-N468 PolarHBondContact N-OD1 2.6Å; G416-N468 VanDerWaalsContact N-OD1 3.16Å
417	H	96.4	Very high	95.9	Very high	47 Å²	47	33.1 Å²	33.1	22%	0.218	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	152.2	-179.8	66.2	-77.4	0	0	0	115	G413 G414 P415 Y419 V425 A426 T427	G413-H417 WeakPolarHBondContact CA-O 3.44Å; G414-H417 VanDerWaalsContact CA-CE1 3.47Å; G414-H417 WeakPolarHBondContact CA-CE1 3.42Å; G414-H417 PolarHBondContact N-O 2.89Å; G414-H417 PolarHBondContact O-N 3.49Å; P415-H417 PolarHBondContact O-N 3.47Å; P415-H417 PolarHBondContact O-ND1 2.88Å; H417-Y419 AromaticContact CD2-CE2 3.61Å; H417-Y419 AromaticContact CD2-CZ 3.52Å; H417-Y419 PolarHBondContact CD2-OH 3.27Å; H417-Y419 AromaticContact NE2-CE2 3.64Å; H417-Y419 AromaticContact NE2-CZ 3.69Å; H417-Y419 PolarHBondContact NE2-OH 2.99Å; H417-V425 HydrophobicContact CB-CG1 4.24Å; H417-A426 CarbonylContact C-O 3.59Å; H417-A426 VanDerWaalsContact CA-O 3.31Å; H417-A426 WeakPolarHBondContact CA-O 3.23Å; H417-T427 HydrophobicContact CB-CG2 3.72Å
418	L	96.8	Very high	95.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.4	176.9	-66.5	175.5	0	0	0	112.2	L420 V425 A426 I460 C463 I465	L418-L420 HydrophobicContact CB-CG 4.47Å; L418-V425 CarbonylContact O-C 3.58Å; L418-V425 VanDerWaalsContact O-CA 3.32Å; L418-V425 WeakPolarHBondContact O-CA 3.23Å; L418-V425 WeakPolarHBondContact O-CG1 3.26Å; L418-A426 HydrophobicContact CB-CB 4.29Å; L418-A426 PolarHBondContact N-O 3.5Å; L418-A426 PolarHBondContact O-N 3.34Å; L418-I460 HydrophobicContact CD1-CD1 3.98Å; L418-I460 HydrophobicContact CD1-CG2 4.04Å; L418-I460 HydrophobicContact CD2-CG2 3.85Å; L418-C463 WeakPolarHBondContact CD2-SG 3.45Å; L418-I465 HydrophobicContact CD1-CD1 4.13Å; L418-I465 HydrophobicContact CD2-CD1 3.65Å; L418-I465 HydrophobicContact CD2-CG1 3.84Å; L418-I465 HydrophobicContact CG-CD1 4.11Å; L418-I465 HydrophobicContact CG-CG1 4.47Å
419	Y	95.9	Very high	95.7	Very high	88 Å²	88	38.2 Å²	38.2	35%	0.345	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	81.6	171.1	-60.1	-68.2	0	0	0	108.8	H379 Q412 H417 V425	H379-Y419 PolarHBondContact CE1-O 3.3Å; H379-Y419 PolarHBondContact ND1-O 3.01Å; Q412-Y419 HydrophobicContact CB-CD2 4.15Å; Q412-Y419 WeakPolarHBondContact O-CB 3.47Å; Q412-Y419 PolarHBondContact O-N 2.87Å; H417-Y419 AromaticContact CD2-CE2 3.61Å; H417-Y419 AromaticContact CD2-CZ 3.52Å; H417-Y419 PolarHBondContact CD2-OH 3.27Å; H417-Y419 AromaticContact NE2-CE2 3.64Å; H417-Y419 AromaticContact NE2-CZ 3.69Å; H417-Y419 PolarHBondContact NE2-OH 2.99Å; Y419-V425 HydrophobicContact CD1-CB 4.37Å; Y419-V425 HydrophobicContact CD1-CG1 3.92Å; Y419-V425 HydrophobicContact CD1-CG2 3.82Å; Y419-V425 HydrophobicContact CE1-CB 4.33Å; Y419-V425 HydrophobicContact CE1-CG1 3.67Å; Y419-V425 HydrophobicContact CE1-CG2 3.72Å
420	L	95.6	Very high	95.6	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-65.9	175.3	-62.2	176.7	0	0	0	109.3	Y377 H379 F384 I409 L418 A426 W441	Y377-L420 VanDerWaalsContact CE2-O 3.24Å; Y377-L420 WeakPolarHBondContact CE2-O 3.4Å; Y377-L420 PolarHBondContact OH-O 2.7Å; Y377-L420 VanDerWaalsContact OH-O 3.07Å; H379-L420 PolarHBondContact ND1-O 2.84Å; F384-L420 HydrophobicContact CE1-CB 4.19Å; F384-L420 HydrophobicContact CE1-CD1 4.01Å; F384-L420 HydrophobicContact CZ-CD1 4.35Å; I409-L420 HydrophobicContact CG2-CD2 4.02Å; L418-L420 HydrophobicContact CB-CG 4.47Å; L420-A426 HydrophobicContact CD1-CB 4.07Å; L420-A426 HydrophobicContact CG-CB 4.48Å; L420-W441 HydrophobicContact CD1-CZ2 3.96Å
421	L	96.7	Very high	95.5	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.052	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	161	177.3	-64.6	171	0	0	0	110.9	Y377 A382 T383 F384 I387 N423 K424	Y377-L421 HydrophobicContact CD2-CD2 3.89Å; Y377-L421 HydrophobicContact CE2-CD2 3.82Å; A382-L421 HydrophobicContact CB-CD2 4.15Å; A382-L421 WeakPolarHBondContact O-CD1 3.42Å; A382-L421 WeakPolarHBondContact O-CD2 3.31Å; T383-L421 VanDerWaalsContact C-CD1 3.46Å; F384-L421 HydrophobicContact CD1-CD1 3.75Å; F384-L421 HydrophobicContact CD2-CD1 4.32Å; F384-L421 HydrophobicContact CE1-CD1 3.87Å; F384-L421 HydrophobicContact CE1-CG 4.34Å; F384-L421 HydrophobicContact CE2-CD1 4.43Å; F384-L421 HydrophobicContact CG-CD1 3.99Å; F384-L421 HydrophobicContact CZ-CD1 4.21Å; I387-L421 HydrophobicContact CD1-CD1 4.37Å; I387-L421 HydrophobicContact CD1-CD2 4.02Å; I387-L421 HydrophobicContact CD1-CG 4.38Å; L421-N423 PolarHBondContact O-N 2.84Å; L421-K424 HydrophobicContact CB-CB 4.08Å; L421-K424 CarbonylContact O-C 3.57Å; L421-K424 WeakPolarHBondContact O-CA 3.23Å; L421-K424 PolarHBondContact O-N 3.31Å
422	K	94.4	Very high	95.4	Very high	90 Å²	90	46.3 Å²	46.3	39%	0.391	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	133.1	175.3	-179.1	173	173.5	-179.8	0	110.1	H379 E380 K424	H379-K422 PolarHBondContact NE2-N 3.12Å; H379-K422 VanDerWaalsContact O-CB 3.25Å; H379-K422 WeakPolarHBondContact O-CB 3.1Å; H379-K422 PolarHBondContact O-N 3.02Å; E380-K422 HydrophobicContact CB-CD 3.91Å; E380-K422 HydrophobicContact CG-CD 4.02Å; E380-K422 WeakPolarHBondContact O-CD 3.35Å; E380-K422 WeakPolarHBondContact OE2-CD 3.38Å; E380-K422 VanDerWaalsContact OE2-CE 3.24Å; E380-K422 WeakPolarHBondContact OE2-CE 3.41Å; E380-K422 IonicContact OE2-NZ 3.72Å; E380-K422 PolarHBondContact OE2-NZ 3.16Å; K422-K424 PolarHBondContact O-N 3.45Å
423	N	92.3	Very high	95.4	Very high	142 Å²	142	49.5 Å²	49.5	76%	0.759	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	-16.9	-170	-52	-41.1	0	0	0	116.4	L421 V425	L421-N423 PolarHBondContact O-N 2.84Å; N423-V425 PolarHBondContact O-N 3.09Å
424	K	93.2	Very high	95.4	Very high	53 Å²	53	50.2 Å²	50.2	23%	0.23	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	73	-177.3	-67.7	-69	176.1	171.8	0	112.4	F384 L421 K422 A426 E434 D436 M437	F384-K424 HydrophobicContact CE2-CB 4.19Å; F384-K424 HydrophobicContact CE2-CD 4.25Å; F384-K424 HydrophobicContact CE2-CG 4.11Å; F384-K424 HydrophobicContact CZ-CB 4.08Å; L421-K424 HydrophobicContact CB-CB 4.08Å; L421-K424 CarbonylContact O-C 3.57Å; L421-K424 WeakPolarHBondContact O-CA 3.23Å; L421-K424 PolarHBondContact O-N 3.31Å; K422-K424 PolarHBondContact O-N 3.45Å; K424-A426 PolarHBondContact O-N 2.85Å; K424-E434 WeakPolarHBondContact CD-OE2 3.43Å; K424-E434 IonicContact NZ-OE2 3.63Å; K424-E434 PolarHBondContact NZ-OE2 2.83Å; K424-D436 VanDerWaalsContact CD-OD2 3.22Å; K424-D436 WeakPolarHBondContact CD-OD2 3.5Å; K424-D436 WeakPolarHBondContact CE-OD2 3.48Å; K424-D436 IonicContact NZ-OD1 3.43Å; K424-D436 PolarHBondContact NZ-OD1 2.84Å; K424-D436 IonicContact NZ-OD2 2.67Å; K424-D436 PolarHBondContact NZ-OD2 3.29Å; K424-M437 HydrophobicContact CB-CE 3.9Å; K424-M437 HydrophobicContact CD-CE 3.82Å
425	V	94.8	Very high	95.5	Very high	37 Å²	37	57.8 Å²	57.8	22%	0.224	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	100.9	177.8	-166.5	0	0	0	0	110.5	H417 L418 Y419 N423 T427 K430	H417-V425 HydrophobicContact CB-CG1 4.24Å; L418-V425 CarbonylContact O-C 3.58Å; L418-V425 VanDerWaalsContact O-CA 3.32Å; L418-V425 WeakPolarHBondContact O-CA 3.23Å; L418-V425 WeakPolarHBondContact O-CG1 3.26Å; Y419-V425 HydrophobicContact CD1-CB 4.37Å; Y419-V425 HydrophobicContact CD1-CG1 3.92Å; Y419-V425 HydrophobicContact CD1-CG2 3.82Å; Y419-V425 HydrophobicContact CE1-CB 4.33Å; Y419-V425 HydrophobicContact CE1-CG1 3.67Å; Y419-V425 HydrophobicContact CE1-CG2 3.72Å; N423-V425 PolarHBondContact O-N 3.09Å; V425-T427 HydrophobicContact CG1-CG2 4.07Å; V425-T427 PolarHBondContact O-N 2.88Å; V425-K430 WeakPolarHBondContact O-CD 3.41Å
426	A	96.9	Very high	95.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	121.1	176.3	0	0	0	0	0	110.2	H417 L418 L420 K424 V431 M437	H417-A426 CarbonylContact C-O 3.59Å; H417-A426 VanDerWaalsContact CA-O 3.31Å; H417-A426 WeakPolarHBondContact CA-O 3.23Å; L418-A426 HydrophobicContact CB-CB 4.29Å; L418-A426 PolarHBondContact N-O 3.5Å; L418-A426 PolarHBondContact O-N 3.34Å; L420-A426 HydrophobicContact CD1-CB 4.07Å; L420-A426 HydrophobicContact CG-CB 4.48Å; K424-A426 PolarHBondContact O-N 2.85Å; A426-V431 HydrophobicContact CB-CG1 3.74Å; A426-M437 HydrophobicContact CB-SD 4.31Å
427	T	96.8	Very high	95.4	Very high	31 Å²	31	57 Å²	57	19%	0.19	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	156.5	176.4	69.3	0	0	0	0	108.2	H417 V425 A429 K430 V431	H417-T427 HydrophobicContact CB-CG2 3.72Å; V425-T427 HydrophobicContact CG1-CG2 4.07Å; V425-T427 PolarHBondContact O-N 2.88Å; T427-A429 PolarHBondContact O-N 3.4Å; T427-K430 HydrophobicContact CG2-CD 4.49Å; T427-K430 PolarHBondContact O-N 3.34Å; T427-K430 WeakPolarHBondContact OG1-CB 2.98Å; T427-K430 PolarHBondContact OG1-N 3.18Å; T427-V431 PolarHBondContact O-N 3.38Å
428	F	95.4	Very high	95.4	Very high	64 Å²	64	56.7 Å²	56.7	28%	0.281	28%	0.275	S	S	.	.	H	α-helix	trans	-50.3	-40.1	-177.7	78.6	-82.5	0	0	0	112.8	K430 N470 K473 L474 N477	F428-K430 PolarHBondContact O-N 3.2Å; F428-N470 HydrophobicContact CD1-CB 3.77Å; F428-N470 HydrophobicContact CE1-CB 3.91Å; F428-K473 HydrophobicContact CB-CB 3.91Å; F428-K473 HydrophobicContact CD2-CB 4.34Å; F428-K473 HydrophobicContact CD2-CD 4.38Å; F428-K473 HydrophobicContact CG-CB 4.14Å; F428-L474 HydrophobicContact CB-CB 4.18Å; F428-N477 PolarHBondContact O-ND2 2.98Å
429	A	95	Very high	95.4	Very high	44 Å²	44	61.5 Å²	61.5	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-82.7	-5.5	-179.1	0	0	0	0	0	115.4	T427 K433	T427-A429 PolarHBondContact O-N 3.4Å; A429-K433 WeakPolarHBondContact O-CD 3.36Å
430	K	96	Very high	95.5	Very high	75 Å²	75	57.5 Å²	57.5	33%	0.326	28%	0.281	S	S	.	.	H	α-helix	trans	-106.3	-39.7	177.3	-80.7	177.8	156.6	-91.4	0	112.9	V425 T427 F428 E432 K433 E434 M437	V425-K430 WeakPolarHBondContact O-CD 3.41Å; T427-K430 HydrophobicContact CG2-CD 4.49Å; T427-K430 PolarHBondContact O-N 3.34Å; T427-K430 WeakPolarHBondContact OG1-CB 2.98Å; T427-K430 PolarHBondContact OG1-N 3.18Å; F428-K430 PolarHBondContact O-N 3.2Å; K430-E432 PolarHBondContact O-N 2.99Å; K430-E432 VanDerWaalsContact O-N 3.15Å; K430-K433 PolarHBondContact O-N 2.74Å; K430-E434 WeakPolarHBondContact CB-OE1 3.49Å; K430-E434 VanDerWaalsContact CD-OE1 3.22Å; K430-E434 WeakPolarHBondContact CD-OE1 3.29Å; K430-E434 WeakPolarHBondContact CE-OE1 3.36Å; K430-E434 VanDerWaalsContact CG-OE1 3.23Å; K430-E434 WeakPolarHBondContact CG-OE1 3.39Å; K430-E434 IonicContact NZ-OE1 2.94Å; K430-E434 PolarHBondContact NZ-OE1 3.08Å; K430-E434 IonicContact NZ-OE2 3.31Å; K430-E434 PolarHBondContact O-N 2.72Å; K430-M437 HydrophobicContact CB-SD 4.31Å
431	V	96.3	Very high	95.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.4	-21.2	-176.2	-61.5	0	0	0	0	113.5	A426 T427 M437 I438 L474 N477 L478 L481	A426-V431 HydrophobicContact CB-CG1 3.74Å; T427-V431 PolarHBondContact O-N 3.38Å; V431-M437 HydrophobicContact CG1-SD 4.07Å; V431-I438 WeakPolarHBondContact O-CG1 3.45Å; V431-L474 HydrophobicContact CG1-CD1 3.85Å; V431-L474 HydrophobicContact CG2-CD1 3.95Å; V431-N477 HydrophobicContact CG2-CB 3.93Å; V431-L478 HydrophobicContact CB-CD2 4.35Å; V431-L478 HydrophobicContact CG1-CD2 4.21Å; V431-L478 HydrophobicContact CG2-CD2 4.41Å; V431-L481 HydrophobicContact CB-CD1 4.06Å; V431-L481 HydrophobicContact CG2-CD1 4.17Å; V431-L481 WeakPolarHBondContact O-CD1 3.44Å
432	E	94.1	Very high	95.4	Very high	98 Å²	98	62.3 Å²	62.3	46%	0.458	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	9.2	174.4	-58.4	179.3	134.2	0	0	113.4	K430 N477	K430-E432 PolarHBondContact O-N 2.99Å; K430-E432 VanDerWaalsContact O-N 3.15Å; E432-N477 VanDerWaalsContact CD-CG 3.41Å; E432-N477 HydrophobicContact CG-CB 3.99Å; E432-N477 PolarHBondContact OE1-ND2 3.49Å; E432-N477 PolarHBondContact OE2-ND2 3.23Å
433	K	94.7	Very high	95.5	Very high	159 Å²	159	61.1 Å²	61.1	69%	0.691	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.8	-27	-172.3	-60.7	-164.8	-177.7	-166.9	0	115.7	A429 K430	A429-K433 WeakPolarHBondContact O-CD 3.36Å; K430-K433 PolarHBondContact O-N 2.74Å
434	E	95.6	Very high	95.7	Very high	38 Å²	38	54.4 Å²	54.4	18%	0.178	26%	0.259	C	S	.	.			trans	-89.4	111.1	173.8	-75	-178.6	-117.5	0	0	108.4	K424 K430 D436 M437 I438	K424-E434 WeakPolarHBondContact CD-OE2 3.43Å; K424-E434 IonicContact NZ-OE2 3.63Å; K424-E434 PolarHBondContact NZ-OE2 2.83Å; K430-E434 WeakPolarHBondContact CB-OE1 3.49Å; K430-E434 VanDerWaalsContact CD-OE1 3.22Å; K430-E434 WeakPolarHBondContact CD-OE1 3.29Å; K430-E434 WeakPolarHBondContact CE-OE1 3.36Å; K430-E434 VanDerWaalsContact CG-OE1 3.23Å; K430-E434 WeakPolarHBondContact CG-OE1 3.39Å; K430-E434 IonicContact NZ-OE1 2.94Å; K430-E434 PolarHBondContact NZ-OE1 3.08Å; K430-E434 IonicContact NZ-OE2 3.31Å; K430-E434 PolarHBondContact O-N 2.72Å; E434-D436 PolarHBondContact O-N 3.29Å; E434-M437 HydrophobicContact CB-CB 4.24Å; E434-M437 HydrophobicContact CB-CG 3.94Å; E434-M437 HydrophobicContact CB-SD 4.2Å; E434-M437 WeakPolarHBondContact O-CA 3.36Å; E434-M437 WeakPolarHBondContact O-CB 3.21Å; E434-M437 PolarHBondContact O-N 3.46Å; E434-I438 PolarHBondContact O-N 3.42Å
435	E	96.2	Very high	95.7	Very high	166 Å²	166	52.1 Å²	52.1	78%	0.776	25%	0.249	S	C	*	.	H	α-helix	trans	-58.2	-35.4	-170.8	-66.6	172.3	161.5	0	0	112.7	I438 H439	E435-I438 WeakPolarHBondContact O-CB 3.29Å; E435-I438 PolarHBondContact O-N 3.28Å; E435-H439 WeakPolarHBondContact O-CB 3.27Å; E435-H439 PolarHBondContact O-N 2.93Å
436	D	95.2	Very high	95.6	Very high	51 Å²	51	53 Å²	53	27%	0.273	25%	0.249	S	C	.	.	H	α-helix	trans	-69.1	-33.6	174.4	64.1	-54.8	0	0	0	112.9	F384 K424 E434 F440	F384-D436 HydrophobicContact CD2-CB 4.23Å; F384-D436 WeakPolarHBondContact CD2-OD2 3.39Å; F384-D436 VanDerWaalsContact CE2-OD2 3.31Å; F384-D436 WeakPolarHBondContact CE2-OD2 3.39Å; K424-D436 VanDerWaalsContact CD-OD2 3.22Å; K424-D436 WeakPolarHBondContact CD-OD2 3.5Å; K424-D436 WeakPolarHBondContact CE-OD2 3.48Å; K424-D436 IonicContact NZ-OD1 3.43Å; K424-D436 PolarHBondContact NZ-OD1 2.84Å; K424-D436 IonicContact NZ-OD2 2.67Å; K424-D436 PolarHBondContact NZ-OD2 3.29Å; E434-D436 PolarHBondContact O-N 3.29Å; D436-F440 VanDerWaalsContact O-CB 3.27Å; D436-F440 WeakPolarHBondContact O-CB 3.45Å; D436-F440 PolarHBondContact O-N 3.47Å
437	M	96	Very high	95.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68.9	-41.1	170.2	-63.4	-170.7	-174.2	0	0	110.8	F384 K424 A426 K430 V431 E434 F440 W441	F384-M437 HydrophobicContact CE2-CG 4.06Å; F384-M437 HydrophobicContact CZ-CG 4.23Å; K424-M437 HydrophobicContact CB-CE 3.9Å; K424-M437 HydrophobicContact CD-CE 3.82Å; A426-M437 HydrophobicContact CB-SD 4.31Å; K430-M437 HydrophobicContact CB-SD 4.31Å; V431-M437 HydrophobicContact CG1-SD 4.07Å; E434-M437 HydrophobicContact CB-CB 4.24Å; E434-M437 HydrophobicContact CB-CG 3.94Å; E434-M437 HydrophobicContact CB-SD 4.2Å; E434-M437 WeakPolarHBondContact O-CA 3.36Å; E434-M437 WeakPolarHBondContact O-CB 3.21Å; E434-M437 PolarHBondContact O-N 3.46Å; M437-F440 PolarHBondContact O-N 3.08Å; M437-W441 PolarHBondContact O-N 2.93Å; M437-W441 VanDerWaalsContact O-N 3.11Å
438	I	96.1	Very high	95.4	Very high	40 Å²	40	51.9 Å²	51.9	21%	0.205	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-45.3	176.8	-64.3	168	0	0	0	110	V431 E434 E435 K442 L481	V431-I438 WeakPolarHBondContact O-CG1 3.45Å; E434-I438 PolarHBondContact O-N 3.42Å; E435-I438 WeakPolarHBondContact O-CB 3.29Å; E435-I438 PolarHBondContact O-N 3.28Å; I438-K442 HydrophobicContact CG2-CD 4.06Å; I438-K442 WeakPolarHBondContact O-CB 3.38Å; I438-K442 VanDerWaalsContact O-CG 3.31Å; I438-K442 WeakPolarHBondContact O-CG 3.49Å; I438-K442 PolarHBondContact O-N 3.19Å; I438-K442 VanDerWaalsContact O-N 3.11Å; I438-L481 HydrophobicContact CB-CD2 4.45Å; I438-L481 HydrophobicContact CG1-CD2 4.24Å; I438-L481 HydrophobicContact CG2-CD2 4.05Å
439	H	96.1	Very high	95.3	Very high	101 Å²	101	49.1 Å²	49.1	47%	0.468	23%	0.23	S	C	.	.	H	α-helix	trans	-60.6	-52	176.5	-168.1	102.6	0	0	0	110.6	E385 E435 W441 K442 R443	E385-H439 IonicContact OE1-CD2 2.83Å; E435-H439 WeakPolarHBondContact O-CB 3.27Å; E435-H439 PolarHBondContact O-N 2.93Å; H439-W441 PolarHBondContact O-N 2.99Å; H439-K442 PolarHBondContact O-N 3.48Å; H439-K442 VanDerWaalsContact O-N 3.14Å; H439-R443 PolarHBondContact O-N 3.19Å
440	F	97.4	Very high	95.1	Very high	3 Å²	3	47.7 Å²	47.7	1%	0.013	22%	0.215	C	C	.	.	H	α-helix	trans	-53	-51.7	-180	174.4	-103.7	0	0	0	112.9	F384 I387 L388 D436 M437 K442 R443 L444	F384-F440 HydrophobicContact CB-CB 3.97Å; F384-F440 HydrophobicContact CB-CD2 3.75Å; F384-F440 HydrophobicContact CB-CG 4.12Å; F384-F440 HydrophobicContact CD1-CB 3.92Å; F384-F440 AromaticContact CD1-CD1 3.96Å; F384-F440 HydrophobicContact CD1-CD1 3.96Å; F384-F440 AromaticContact CD1-CD2 3.47Å; F384-F440 HydrophobicContact CD1-CD2 3.47Å; F384-F440 VanDerWaalsContact CD1-CD2 3.47Å; F384-F440 HydrophobicContact CD1-CE1 4.38Å; F384-F440 AromaticContact CD1-CE2 3.94Å; F384-F440 HydrophobicContact CD1-CE2 3.94Å; F384-F440 AromaticContact CD1-CG 3.48Å; F384-F440 HydrophobicContact CD1-CG 3.48Å; F384-F440 VanDerWaalsContact CD1-CG 3.48Å; F384-F440 HydrophobicContact CD1-CZ 4.37Å; F384-F440 HydrophobicContact CD2-CB 4.33Å; F384-F440 HydrophobicContact CE1-CD1 4.09Å; F384-F440 HydrophobicContact CE1-CD2 4.38Å; F384-F440 HydrophobicContact CE1-CE1 4.44Å; F384-F440 HydrophobicContact CE1-CG 4.05Å; F384-F440 HydrophobicContact CG-CB 3.83Å; F384-F440 AromaticContact CG-CD2 3.91Å; F384-F440 HydrophobicContact CG-CD2 3.91Å; F384-F440 AromaticContact CG-CG 3.89Å; F384-F440 HydrophobicContact CG-CG 3.89Å; I387-F440 HydrophobicContact CB-CE2 4.47Å; I387-F440 HydrophobicContact CG2-CE2 3.89Å; I387-F440 HydrophobicContact CG2-CZ 4.36Å; L388-F440 HydrophobicContact CD1-CD2 3.83Å; L388-F440 HydrophobicContact CD2-CD2 4.12Å; L388-F440 HydrophobicContact CD2-CE2 4.12Å; L388-F440 HydrophobicContact CG-CD2 3.86Å; L388-F440 HydrophobicContact CG-CE2 4.04Å; D436-F440 VanDerWaalsContact O-CB 3.27Å; D436-F440 WeakPolarHBondContact O-CB 3.45Å; D436-F440 PolarHBondContact O-N 3.47Å; M437-F440 PolarHBondContact O-N 3.08Å; F440-K442 VanDerWaalsContact C-N 3.35Å; F440-K442 PolarHBondContact O-N 2.91Å; F440-R443 PolarHBondContact O-N 3.39Å; F440-L444 HydrophobicContact CE1-CD2 4.15Å; F440-L444 HydrophobicContact CZ-CD2 4.1Å; F440-L444 WeakPolarHBondContact O-CB 3.31Å; F440-L444 PolarHBondContact O-N 3.43Å
441	W	96.6	Very high	94.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-69.3	-31.4	-178.7	-68.8	112.9	0	0	0	112.9	I409 L420 M437 H439 L444 S445 I458 L478 L481 M482 F489	I409-W441 HydrophobicContact CD1-CH2 3.76Å; I409-W441 HydrophobicContact CD1-CZ3 4.21Å; L420-W441 HydrophobicContact CD1-CZ2 3.96Å; M437-W441 PolarHBondContact O-N 2.93Å; M437-W441 VanDerWaalsContact O-N 3.11Å; H439-W441 PolarHBondContact O-N 2.99Å; W441-L444 HydrophobicContact CE3-CD2 3.88Å; W441-L444 HydrophobicContact CZ3-CD2 3.82Å; W441-S445 PolarHBondContact O-N 3.35Å; W441-I458 HydrophobicContact CZ3-CD1 4.44Å; W441-L478 HydrophobicContact CD2-CD2 3.62Å; W441-L478 HydrophobicContact CE3-CD2 4.29Å; W441-L478 HydrophobicContact CG-CD2 3.82Å; W441-L478 HydrophobicContact CH2-CD1 4.33Å; W441-L478 HydrophobicContact CH2-CD2 4.44Å; W441-L478 HydrophobicContact CZ2-CD1 4.14Å; W441-L478 HydrophobicContact CZ2-CD2 3.79Å; W441-L481 HydrophobicContact CB-CB 4.09Å; W441-M482 HydrophobicContact CE3-SD 3.93Å; W441-M482 HydrophobicContact CZ3-SD 4.38Å; W441-F489 HydrophobicContact CE3-CZ 4.12Å; W441-F489 HydrophobicContact CH2-CE1 4.06Å; W441-F489 HydrophobicContact CH2-CZ 4.33Å; W441-F489 AromaticContact CZ3-CE1 3.82Å; W441-F489 HydrophobicContact CZ3-CE1 3.82Å; W441-F489 AromaticContact CZ3-CZ 3.72Å; W441-F489 HydrophobicContact CZ3-CZ 3.72Å
442	K	95	Very high	93.9	Very high	116 Å²	116	48.3 Å²	48.3	50%	0.504	22%	0.224	S	C	.	.	H	α-helix	trans	-71.1	-43.4	172.9	-77	-179.2	174.9	-173.2	0	112.8	I438 H439 F440 S445	I438-K442 HydrophobicContact CG2-CD 4.06Å; I438-K442 WeakPolarHBondContact O-CB 3.38Å; I438-K442 VanDerWaalsContact O-CG 3.31Å; I438-K442 WeakPolarHBondContact O-CG 3.49Å; I438-K442 PolarHBondContact O-N 3.19Å; I438-K442 VanDerWaalsContact O-N 3.11Å; H439-K442 PolarHBondContact O-N 3.48Å; H439-K442 VanDerWaalsContact O-N 3.14Å; F440-K442 VanDerWaalsContact C-N 3.35Å; F440-K442 PolarHBondContact O-N 2.91Å; K442-S445 PolarHBondContact O-N 3.37Å; K442-S445 PolarHBondContact O-OG 3.27Å
443	R	95.3	Very high	92.7	Very high	66 Å²	66	50 Å²	50	25%	0.249	24%	0.243	C	C	.	.	H	α-helix	trans	-66.4	-44	177.6	-175	66.6	-172.3	-152.9	4.9	110.4	L388 E392 H439 F440 S445 R446	L388-R443 HydrophobicContact CD1-CB 3.84Å; L388-R443 HydrophobicContact CD1-CG 3.84Å; L388-R443 HydrophobicContact CD2-CB 4.15Å; L388-R443 HydrophobicContact CD2-CG 3.98Å; L388-R443 HydrophobicContact CG-CG 4.37Å; E392-R443 IonicContact OE1-CZ 3.5Å; E392-R443 VanDerWaalsContact OE1-CZ 3.25Å; E392-R443 IonicContact OE1-NE 3.97Å; E392-R443 PolarHBondContact OE1-NE 3.11Å; E392-R443 IonicContact OE1-NH2 3.78Å; E392-R443 PolarHBondContact OE1-NH2 2.84Å; E392-R443 IonicContact OE2-NH2 2.59Å; E392-R443 PolarHBondContact OE2-NH2 2.75Å; H439-R443 PolarHBondContact O-N 3.19Å; F440-R443 PolarHBondContact O-N 3.39Å; R443-S445 PolarHBondContact O-N 2.9Å; R443-R446 PolarHBondContact O-N 2.75Å
444	L	96.4	Very high	91.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.4	-32.5	175	-175.2	62.3	0	0	0	112.7	L388 I391 I404 M407 F440 W441 L447 M448 I458 M482	L388-L444 HydrophobicContact CD2-CB 4.11Å; I391-L444 HydrophobicContact CD1-CD1 4.18Å; I404-L444 HydrophobicContact CD1-CD1 4.13Å; M407-L444 HydrophobicContact CE-CD1 4.25Å; M407-L444 HydrophobicContact CE-CD2 4.37Å; M407-L444 HydrophobicContact SD-CD1 4.36Å; M407-L444 HydrophobicContact SD-CD2 4.13Å; F440-L444 HydrophobicContact CE1-CD2 4.15Å; F440-L444 HydrophobicContact CZ-CD2 4.1Å; F440-L444 WeakPolarHBondContact O-CB 3.31Å; F440-L444 PolarHBondContact O-N 3.43Å; W441-L444 HydrophobicContact CE3-CD2 3.88Å; W441-L444 HydrophobicContact CZ3-CD2 3.82Å; L444-L447 WeakPolarHBondContact O-CB 3.29Å; L444-L447 PolarHBondContact O-N 2.95Å; L444-L447 VanDerWaalsContact O-N 3.09Å; L444-M448 PolarHBondContact O-N 2.93Å; L444-I458 HydrophobicContact CD2-CD1 4.45Å; L444-M482 HydrophobicContact CB-CE 4.27Å; L444-M482 HydrophobicContact CD2-CE 4.25Å; L444-M482 HydrophobicContact CG-CE 3.97Å
445	S	93.9	Very high	91.2	Very high	5 Å²	5	48.5 Å²	48.5	4%	0.035	25%	0.245	C	C	.	.	H	α-helix	trans	-68	-36.5	-179.2	78.4	0	0	0	0	113.4	W441 K442 R443 L447 M448 Y485	W441-S445 PolarHBondContact O-N 3.35Å; K442-S445 PolarHBondContact O-N 3.37Å; K442-S445 PolarHBondContact O-OG 3.27Å; R443-S445 PolarHBondContact O-N 2.9Å; S445-L447 PolarHBondContact O-N 3.1Å; S445-M448 WeakPolarHBondContact O-CB 3.19Å; S445-M448 PolarHBondContact O-N 3.06Å; S445-M448 VanDerWaalsContact O-N 3.08Å; S445-Y485 VanDerWaalsContact OG-CD2 3.26Å; S445-Y485 WeakPolarHBondContact OG-CD2 3.42Å
446	R	92.5	Very high	91	Very high	56 Å²	56	41 Å²	41	21%	0.211	21%	0.21	C	C	.	.	H	α-helix	trans	-62.5	-21.5	170.5	-63.4	-176.1	179.5	152.7	-3.1	113.1	C322 D324 K403 R443 K450 Y485	C322-R446 PolarHBondContact SG-NH1 3.34Å; D324-R446 IonicContact OD1-CZ 3.18Å; D324-R446 IonicContact OD1-NE 3.25Å; D324-R446 IonicContact OD1-NH2 2.76Å; D324-R446 PolarHBondContact OD1-NH2 3.45Å; D324-R446 IonicContact OD2-NH2 2.67Å; D324-R446 PolarHBondContact OD2-NH2 3.43Å; K403-R446 PolarHBondContact NZ-O 3.14Å; R443-R446 PolarHBondContact O-N 2.75Å; R446-K450 PolarHBondContact O-NZ 2.98Å; R446-Y485 HydrophobicContact CG-CE2 4.13Å
447	L	94.8	Very high	91	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.042	20%	0.201	C	C	.	.	H	α-helix	trans	-85.7	-15.8	176.4	-52.3	-175.1	0	0	0	113.3	L388 I391 E392 K403 I404 L444 S445	L388-L447 HydrophobicContact CD2-CD1 4.18Å; I391-L447 HydrophobicContact CB-CD1 4.48Å; I391-L447 HydrophobicContact CG2-CD1 3.79Å; E392-L447 HydrophobicContact CG-CD1 3.59Å; E392-L447 HydrophobicContact CG-CD2 3.59Å; E392-L447 HydrophobicContact CG-CG 4.24Å; K403-L447 CarbonylContact C-O 3.47Å; K403-L447 WeakPolarHBondContact CA-O 3.46Å; K403-L447 WeakPolarHBondContact CB-O 3.32Å; I404-L447 HydrophobicContact CD1-CB 4.28Å; I404-L447 PolarHBondContact N-O 3.27Å; L444-L447 WeakPolarHBondContact O-CB 3.29Å; L444-L447 PolarHBondContact O-N 2.95Å; L444-L447 VanDerWaalsContact O-N 3.09Å; S445-L447 PolarHBondContact O-N 3.1Å
448	M	95.1	Very high	91.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-74.8	152.2	172.4	-51.7	-57	-59.9	0	0	110.9	I404 L444 S445 K450 N456 I458 M482 V487	I404-M448 HydrophobicContact CB-CE 3.97Å; I404-M448 HydrophobicContact CB-SD 3.82Å; I404-M448 HydrophobicContact CD1-SD 4.09Å; I404-M448 HydrophobicContact CG1-SD 4.47Å; I404-M448 HydrophobicContact CG2-CE 3.79Å; I404-M448 HydrophobicContact CG2-SD 4.06Å; I404-M448 CarbonylContact O-C 3.53Å; I404-M448 WeakPolarHBondContact O-CA 3.4Å; L444-M448 PolarHBondContact O-N 2.93Å; S445-M448 WeakPolarHBondContact O-CB 3.19Å; S445-M448 PolarHBondContact O-N 3.06Å; S445-M448 VanDerWaalsContact O-N 3.08Å; M448-K450 PolarHBondContact O-NZ 3.49Å; M448-N456 HydrophobicContact CB-CB 4.45Å; M448-N456 HydrophobicContact CE-CB 3.66Å; M448-I458 HydrophobicContact CE-CD1 4.32Å; M448-I458 HydrophobicContact CE-CG1 4.03Å; M448-I458 HydrophobicContact SD-CD1 4.22Å; M448-M482 HydrophobicContact CG-CE 3.75Å; M448-M482 HydrophobicContact SD-CE 4.33Å; M448-V487 HydrophobicContact CB-CG2 4.22Å; M448-V487 HydrophobicContact CE-CG2 4.42Å; M448-V487 HydrophobicContact CG-CG2 3.8Å
449	S	93.8	Very high	91.1	Very high	5 Å²	5	38 Å²	38	4%	0.035	19%	0.194	C	C	.	.			trans	-71.7	150.5	-175.3	91.1	0	0	0	0	113.1	E334 I404 N452 N456	E334-S449 WeakPolarHBondContact OE1-CA 3.49Å; E334-S449 WeakPolarHBondContact OE1-CB 3.48Å; I404-S449 PolarHBondContact O-N 2.91Å; S449-N452 WeakPolarHBondContact CB-ND2 3.46Å; S449-N452 PolarHBondContact OG-ND2 2.82Å; S449-N456 WeakPolarHBondContact CB-OD1 3.33Å; S449-N456 PolarHBondContact N-OD1 3.4Å; S449-N456 PolarHBondContact O-ND2 3.19Å; S449-N456 PolarHBondContact OG-OD1 3.47Å
450	K	90.1	Very high	91.2	Very high	14 Å²	14	33.2 Å²	33.2	6%	0.061	17%	0.172	C	C	.	.	S	Bend	trans	-114.6	-15.2	179	-60.3	148.8	-147.3	61.4	0	112.1	W327 E330 K331 E334 R446 M448 Y485	W327-K450 HydrophobicContact CZ2-CB 4.26Å; E330-K450 HydrophobicContact CB-CD 3.63Å; E330-K450 WeakPolarHBondContact OE2-CE 3.05Å; K331-K450 HydrophobicContact CB-CB 3.73Å; K331-K450 HydrophobicContact CB-CD 4.39Å; K331-K450 HydrophobicContact CD-CB 4.3Å; K331-K450 WeakPolarHBondContact CD-O 3.25Å; K331-K450 HydrophobicContact CG-CB 3.89Å; E334-K450 PolarHBondContact OE1-N 3.4Å; E334-K450 WeakPolarHBondContact OE2-CB 3.36Å; E334-K450 WeakPolarHBondContact OE2-CD 3.21Å; E334-K450 PolarHBondContact OE2-N 3.12Å; E334-K450 IonicContact OE2-NZ 3.81Å; E334-K450 PolarHBondContact OE2-NZ 3.23Å; R446-K450 PolarHBondContact O-NZ 2.98Å; M448-K450 PolarHBondContact O-NZ 3.49Å; K450-Y485 HydrophobicContact CD-CD1 4.34Å; K450-Y485 HydrophobicContact CD-CE1 3.96Å; K450-Y485 HydrophobicContact CG-CD1 3.84Å; K450-Y485 HydrophobicContact CG-CE1 3.95Å
451	V	87.5	Confident	91.1	Very high	48 Å²	48	33.2 Å²	33.2	29%	0.291	17%	0.172	S	C	.	.	S	Bend	trans	-95.9	-22.6	-175.4	-53.1	0	0	0	0	114.7	K331 E334 A335	K331-V451 HydrophobicContact CG-CG1 4.04Å; K331-V451 WeakPolarHBondContact O-CG1 3.4Å; E334-V451 HydrophobicContact CB-CG1 3.95Å; E334-V451 HydrophobicContact CG-CG1 3.93Å; E334-V451 HydrophobicContact CG-CG2 4.44Å; E334-V451 WeakPolarHBondContact OE1-CG2 3.25Å; E334-V451 PolarHBondContact OE1-N 3.22Å; E334-V451 VanDerWaalsContact OE1-N 3.11Å; A335-V451 HydrophobicContact CB-CG1 3.83Å
452	N	79.6	Confident	90.9	Very high	40 Å²	40	34.9 Å²	34.9	21%	0.214	19%	0.189	C	C	.	.			trans	-69.3	142.8	-173.2	-79.6	-67.5	0	0	0	112.5	S449	S449-N452 WeakPolarHBondContact CB-ND2 3.46Å; S449-N452 PolarHBondContact OG-ND2 2.82Å
453	P	69.5	Low	90.8	Very high	133 Å²	133	30.5 Å²	30.5	86%	0.864	17%	0.173	S	C	*	.	S	Bend	trans	-76.1	-27.4	-179.1	30.6	-35.5	0	0	0	113
454	E	76.7	Confident	90.7	Very high	99 Å²	99	32.5 Å²	32.5	46%	0.463	18%	0.181	S	C	.	.	S	Bend	trans	-84.1	144.8	169.6	-67.1	-168.7	164.5	0	0	110.6	W405 K406	W405-E454 HydrophobicContact CZ2-CB 4.44Å; W405-E454 VanDerWaalsContact CZ2-OE2 3.29Å; W405-E454 WeakPolarHBondContact CZ2-OE2 3.18Å; K406-E454 IonicContact NZ-OE2 2.63Å; K406-E454 PolarHBondContact NZ-OE2 3.47Å
455	P	81.3	Confident	90.6	Very high	68 Å²	68	32.5 Å²	32.5	44%	0.442	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-60.9	145.2	171.1	28.7	-35.4	0	0	0	110.8	V457 T488	P455-V457 WeakPolarHBondContact O-CG2 3.33Å; P455-T488 HydrophobicContact CB-CG2 4.24Å; P455-T488 HydrophobicContact CG-CG2 4.27Å
456	N	91.8	Very high	90.6	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.037	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	135.5	179.3	-52.9	-74.4	0	0	0	110.3	I404 W405 M448 S449 K486 V487 T488	I404-N456 PolarHBondContact O-OD1 3.28Å; W405-N456 WeakPolarHBondContact O-CA 3.19Å; W405-N456 WeakPolarHBondContact O-CB 3.31Å; M448-N456 HydrophobicContact CB-CB 4.45Å; M448-N456 HydrophobicContact CE-CB 3.66Å; S449-N456 WeakPolarHBondContact CB-OD1 3.33Å; S449-N456 PolarHBondContact N-OD1 3.4Å; S449-N456 PolarHBondContact O-ND2 3.19Å; S449-N456 PolarHBondContact OG-OD1 3.47Å; N456-K486 PolarHBondContact N-O 2.8Å; N456-V487 HydrophobicContact CB-CG2 4.26Å; N456-V487 CarbonylContact O-C 3.52Å; N456-V487 VanDerWaalsContact O-CA 3.3Å; N456-V487 WeakPolarHBondContact O-CA 3.29Å; N456-T488 PolarHBondContact O-N 2.73Å; N456-T488 PolarHBondContact O-OG1 3.33Å
457	V	95.4	Very high	90.6	Very high	14 Å²	14	34.1 Å²	34.1	9%	0.085	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.9	-172.6	-167	0	0	0	0	111.7	W405 K406 M407 P455 H459 E490	W405-V457 PolarHBondContact O-N 3.45Å; K406-V457 WeakPolarHBondContact CA-O 3.5Å; K406-V457 HydrophobicContact CG-CB 4.43Å; M407-V457 PolarHBondContact N-O 3.46Å; P455-V457 WeakPolarHBondContact O-CG2 3.33Å; V457-H459 WeakPolarHBondContact CG1-CE1 3.41Å; V457-H459 PolarHBondContact O-ND1 2.87Å; V457-E490 HydrophobicContact CG1-CB 4.43Å; V457-E490 HydrophobicContact CG1-CG 4.11Å
458	I	97.4	Very high	90.5	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	105.7	168.3	-57.4	-173.6	0	0	0	109	M407 I409 W441 L444 M448 I460 M482 V487 T488 F489 E490	M407-I458 HydrophobicContact CB-CB 4.4Å; M407-I458 HydrophobicContact CB-CG1 3.94Å; M407-I458 HydrophobicContact CB-CG2 4.3Å; M407-I458 HydrophobicContact SD-CD1 4.17Å; M407-I458 HydrophobicContact SD-CG1 4.42Å; M407-I458 HydrophobicContact SD-CG2 4.38Å; I409-I458 HydrophobicContact CD1-CG2 3.75Å; I409-I458 HydrophobicContact CG1-CG2 4.07Å; W441-I458 HydrophobicContact CZ3-CD1 4.44Å; L444-I458 HydrophobicContact CD2-CD1 4.45Å; M448-I458 HydrophobicContact CE-CD1 4.32Å; M448-I458 HydrophobicContact CE-CG1 4.03Å; M448-I458 HydrophobicContact SD-CD1 4.22Å; I458-I460 HydrophobicContact CG2-CG1 4.21Å; I458-M482 HydrophobicContact CD1-CE 3.88Å; I458-M482 HydrophobicContact CD1-SD 3.78Å; I458-V487 HydrophobicContact CB-CG1 4.3Å; I458-V487 HydrophobicContact CD1-CG1 3.8Å; I458-V487 HydrophobicContact CG1-CG1 3.69Å; I458-T488 PolarHBondContact N-O 3.21Å; I458-F489 HydrophobicContact CB-CD1 3.89Å; I458-F489 HydrophobicContact CB-CE1 3.79Å; I458-F489 HydrophobicContact CB-CZ 4.38Å; I458-F489 HydrophobicContact CD1-CE1 4.02Å; I458-F489 HydrophobicContact CD1-CZ 3.89Å; I458-F489 HydrophobicContact CG1-CE1 4.44Å; I458-F489 HydrophobicContact CG2-CD1 3.95Å; I458-F489 HydrophobicContact CG2-CE1 3.67Å; I458-F489 WeakPolarHBondContact O-CA 3.41Å; I458-E490 PolarHBondContact O-N 3.39Å
459	H	97.5	Very high	90.6	Very high	15 Å²	15	39.9 Å²	39.9	7%	0.069	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	137.8	173	-58.4	80.4	0	0	0	109.5	M407 L408 I409 V457 E490 M502 Y506	M407-H459 WeakPolarHBondContact O-CB 3.34Å; M407-H459 PolarHBondContact O-N 3.4Å; M407-H459 PolarHBondContact O-ND1 3.3Å; L408-H459 CarbonylContact C-O 3.58Å; L408-H459 WeakPolarHBondContact CA-O 3.14Å; L408-H459 HydrophobicContact CD1-CB 3.76Å; I409-H459 PolarHBondContact N-O 3.39Å; V457-H459 WeakPolarHBondContact CG1-CE1 3.41Å; V457-H459 PolarHBondContact O-ND1 2.87Å; H459-E490 CarbonylContact C-O 3.41Å; H459-E490 WeakPolarHBondContact CA-O 3.45Å; H459-M502 HydrophobicContact CB-CG 4.13Å; H459-M502 HydrophobicContact CB-SD 3.87Å; H459-Y506 HydrophobicContact CB-CE2 4.5Å; H459-Y506 AromaticContact ND1-CZ 3.96Å; H459-Y506 PolarHBondContact ND1-OH 2.97Å
460	I	97.3	Very high	90.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124.1	178.2	-47.7	172.8	0	0	0	110.2	I409 L418 I458 I465 F475 F489 E490 S491	I409-I460 HydrophobicContact CB-CG1 4.39Å; I409-I460 HydrophobicContact CB-CG2 4.34Å; I409-I460 WeakPolarHBondContact O-CA 3.29Å; L418-I460 HydrophobicContact CD1-CD1 3.98Å; L418-I460 HydrophobicContact CD1-CG2 4.04Å; L418-I460 HydrophobicContact CD2-CG2 3.85Å; I458-I460 HydrophobicContact CG2-CG1 4.21Å; I460-I465 HydrophobicContact CB-CD1 3.76Å; I460-I465 HydrophobicContact CD1-CD1 3.93Å; I460-I465 HydrophobicContact CG1-CD1 4.45Å; I460-I465 HydrophobicContact CG2-CD1 3.63Å; I460-F475 HydrophobicContact CD1-CE1 3.83Å; I460-F475 HydrophobicContact CD1-CZ 4.11Å; I460-F489 HydrophobicContact CD1-CD1 3.74Å; I460-F489 HydrophobicContact CD1-CE1 4.16Å; I460-F489 HydrophobicContact CG1-CD1 4.47Å; I460-E490 PolarHBondContact N-O 3.5Å; I460-S491 WeakPolarHBondContact O-CA 3.47Å; I460-S491 WeakPolarHBondContact O-CB 3.38Å; I460-S491 PolarHBondContact O-OG 2.9Å
461	M	95.5	Very high	91	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.015	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	156.7	-163.5	-176.7	172.9	173.9	0	0	111	L408 I409 F410 C411 E494 M502 I503 F507 Y512	L408-M461 HydrophobicContact CD1-CB 3.76Å; L408-M461 HydrophobicContact CD1-SD 4Å; L408-M461 HydrophobicContact CD2-SD 4.18Å; I409-M461 PolarHBondContact O-N 2.66Å; F410-M461 HydrophobicContact CD2-CB 4.28Å; F410-M461 HydrophobicContact CD2-CG 4.11Å; F410-M461 WeakPolarHBondContact CD2-O 3.48Å; F410-M461 HydrophobicContact CE1-CE 4.19Å; F410-M461 HydrophobicContact CE2-CG 4.14Å; F410-M461 HydrophobicContact CG-CG 4.43Å; F410-M461 HydrophobicContact CZ-CE 4.16Å; F410-M461 HydrophobicContact CZ-CG 4.48Å; C411-M461 PolarHBondContact N-O 2.63Å; C411-M461 VanDerWaalsContact N-O 3.1Å; C411-M461 VanDerWaalsContact O-O 3.05Å; M461-E494 HydrophobicContact CE-CG 4.39Å; M461-M502 HydrophobicContact CB-CE 4.21Å; M461-M502 HydrophobicContact CG-CE 3.96Å; M461-M502 HydrophobicContact SD-CE 3.77Å; M461-I503 HydrophobicContact CE-CD1 4.37Å; M461-I503 HydrophobicContact CE-CG1 3.86Å; M461-F507 HydrophobicContact CE-CE2 3.92Å; M461-F507 HydrophobicContact SD-CE2 3.88Å; M461-Y512 HydrophobicContact CE-CD2 4.39Å; M461-Y512 HydrophobicContact CE-CE1 4.26Å; M461-Y512 HydrophobicContact CE-CE2 3.4Å; M461-Y512 WeakPolarHBondContact CE-OH 3.44Å
462	G	92.8	Very high	91.4	Very high	35 Å²	35	45 Å²	45	36%	0.361	26%	0.26	S	S	.	.	S	Bend	trans	93.6	-7.6	-174.8	0	0	0	0	0	114.8	C411	C411-G462 CarbonylContact O-C 3.57Å
463	C	92.7	Very high	92.2	Very high	24 Å²	24	47.9 Å²	47.9	16%	0.162	27%	0.27	C	S	.	.	S	Bend	trans	-149.9	170.6	172.8	63.7	0	0	0	0	111.9	L418	L418-C463 WeakPolarHBondContact CD2-SG 3.45Å
464	Y	92.3	Very high	93.6	Very high	108 Å²	108	41.5 Å²	41.5	42%	0.424	23%	0.229	S	C	.	.			trans	-113	85.2	176.8	177.7	-143.5	0	0	0	110.4	G414 P415 L466 G467 L493	G414-Y464 CarbonylContact C-O 3.52Å; P415-Y464 WeakPolarHBondContact CA-O 3.41Å; Y464-L466 HydrophobicContact CE2-CB 4.02Å; Y464-G467 PolarHBondContact O-N 3.46Å; Y464-L493 HydrophobicContact CD1-CD2 3.99Å; Y464-L493 HydrophobicContact CD2-CD2 3.51Å; Y464-L493 HydrophobicContact CD2-CG 4.13Å; Y464-L493 HydrophobicContact CE1-CD2 4.37Å; Y464-L493 HydrophobicContact CE2-CD2 3.96Å; Y464-L493 HydrophobicContact CE2-CG 4.15Å; Y464-L493 HydrophobicContact CG-CD2 3.55Å
465	I	95	Very high	94.5	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-66.2	-44	-174.1	-51.9	166.9	0	0	0	110.8	P415 G416 L418 I460 G467 L474 F475	P415-I465 WeakPolarHBondContact CA-O 3.47Å; G416-I465 PolarHBondContact N-O 3.25Å; L418-I465 HydrophobicContact CD1-CD1 4.13Å; L418-I465 HydrophobicContact CD2-CD1 3.65Å; L418-I465 HydrophobicContact CD2-CG1 3.84Å; L418-I465 HydrophobicContact CG-CD1 4.11Å; L418-I465 HydrophobicContact CG-CG1 4.47Å; I460-I465 HydrophobicContact CB-CD1 3.76Å; I460-I465 HydrophobicContact CD1-CD1 3.93Å; I460-I465 HydrophobicContact CG1-CD1 4.45Å; I460-I465 HydrophobicContact CG2-CD1 3.63Å; I465-G467 PolarHBondContact O-N 3.38Å; I465-L474 HydrophobicContact CG2-CD2 4.07Å; I465-F475 HydrophobicContact CB-CE1 4.32Å; I465-F475 HydrophobicContact CB-CZ 4.46Å; I465-F475 HydrophobicContact CD1-CE1 3.59Å; I465-F475 HydrophobicContact CD1-CZ 3.78Å; I465-F475 HydrophobicContact CG2-CD1 4.45Å; I465-F475 HydrophobicContact CG2-CE1 3.96Å
466	L	94.8	Very high	95.2	Very high	61 Å²	61	38.9 Å²	38.9	32%	0.319	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-73.7	10.4	-179.8	-58.5	177.5	0	0	0	113.4	Y464 N468 E472 F475	Y464-L466 HydrophobicContact CE2-CB 4.02Å; L466-N468 PolarHBondContact O-N 3.38Å; L466-E472 HydrophobicContact CD2-CG 4.1Å; L466-F475 HydrophobicContact CD1-CE2 4.15Å; L466-F475 HydrophobicContact CD2-CD2 3.87Å; L466-F475 HydrophobicContact CD2-CE2 4.03Å; L466-F475 HydrophobicContact CD2-CG 4.37Å; L466-F475 HydrophobicContact CG-CD2 4.49Å; L466-F475 HydrophobicContact CG-CE2 4.17Å
467	G	92	Very high	95.4	Very high	35 Å²	35	39.5 Å²	39.5	36%	0.361	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-70.5	0.8	170.7	0	0	0	0	0	114.8	Y464 I465	Y464-G467 PolarHBondContact O-N 3.46Å; I465-G467 PolarHBondContact O-N 3.38Å
468	N	93	Very high	95.5	Very high	46 Å²	46	38.9 Å²	38.9	25%	0.246	21%	0.21	C	C	.	.	S	Bend	trans	-153.3	163.7	165.9	66.2	27.3	0	0	0	111.6	P415 G416 L466 N470 G471	P415-N468 HydrophobicContact CB-CB 4.11Å; P415-N468 VanDerWaalsContact CB-ND2 3.27Å; P415-N468 WeakPolarHBondContact CB-ND2 3.49Å; P415-N468 PolarHBondContact O-ND2 2.83Å; G416-N468 VanDerWaalsContact CA-OD1 3.31Å; G416-N468 WeakPolarHBondContact CA-OD1 3.29Å; G416-N468 PolarHBondContact N-OD1 2.6Å; G416-N468 VanDerWaalsContact N-OD1 3.16Å; L466-N468 PolarHBondContact O-N 3.38Å; N468-N470 PolarHBondContact O-N 2.91Å; N468-N470 VanDerWaalsContact O-N 3.11Å; N468-N470 WeakPolarHBondContact OD1-CA 3.36Å; N468-N470 VanDerWaalsContact OD1-CB 3.32Å; N468-N470 WeakPolarHBondContact OD1-CB 3.49Å; N468-N470 PolarHBondContact OD1-N 3.31Å; N468-N470 VanDerWaalsContact OD1-N 3.11Å; N468-G471 PolarHBondContact O-N 3.17Å; N468-G471 PolarHBondContact OD1-N 2.85Å; N468-G471 VanDerWaalsContact OD1-N 3.08Å
469	P	96.1	Very high	95.3	Very high	82 Å²	82	43.3 Å²	43.3	53%	0.532	23%	0.227	S	C	.	.	H	α-helix	trans	-64	-13.6	177.3	-24.5	35.6	0	0	0	114.9	G471 K473	P469-G471 VanDerWaalsContact C-N 3.26Å; P469-K473 WeakPolarHBondContact O-CG 3.28Å; P469-K473 PolarHBondContact O-N 3.37Å
470	N	96.4	Very high	95.2	Very high	67 Å²	67	47.1 Å²	47.1	36%	0.358	25%	0.252	S	S	.	.	H	α-helix	trans	-73.2	-22.8	172.9	-62.9	-8.7	0	0	0	111.3	F428 N468 L474	F428-N470 HydrophobicContact CD1-CB 3.77Å; F428-N470 HydrophobicContact CE1-CB 3.91Å; N468-N470 PolarHBondContact O-N 2.91Å; N468-N470 VanDerWaalsContact O-N 3.11Å; N468-N470 WeakPolarHBondContact OD1-CA 3.36Å; N468-N470 VanDerWaalsContact OD1-CB 3.32Å; N468-N470 WeakPolarHBondContact OD1-CB 3.49Å; N468-N470 PolarHBondContact OD1-N 3.31Å; N468-N470 VanDerWaalsContact OD1-N 3.11Å; N470-L474 WeakPolarHBondContact O-CB 3.35Å; N470-L474 PolarHBondContact O-N 3.39Å
471	G	96.2	Very high	95	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-71.3	-40.8	171.7	0	0	0	0	0	113	N468 P469 K473 L474 F475	N468-G471 PolarHBondContact O-N 3.17Å; N468-G471 PolarHBondContact OD1-N 2.85Å; N468-G471 VanDerWaalsContact OD1-N 3.08Å; P469-G471 VanDerWaalsContact C-N 3.26Å; G471-K473 VanDerWaalsContact C-N 3.34Å; G471-L474 PolarHBondContact O-N 3.01Å; G471-F475 PolarHBondContact O-N 2.88Å
472	E	96.1	Very high	95	Very high	107 Å²	107	48.1 Å²	48.1	50%	0.5	26%	0.257	S	S	.	.	H	α-helix	trans	-60.7	-44.8	173.1	-65.4	168.3	-174.7	0	0	110.9	L466 F475 Q476	L466-E472 HydrophobicContact CD2-CG 4.1Å; E472-F475 PolarHBondContact O-N 3.22Å; E472-Q476 WeakPolarHBondContact O-CG 3.31Å; E472-Q476 PolarHBondContact O-N 2.91Å
473	K	97.1	Very high	94.6	Very high	101 Å²	101	51.1 Å²	51.1	44%	0.439	27%	0.269	S	S	.	.	H	α-helix	trans	-62.9	-44.6	173.6	-69.5	-176.6	177.6	-167.4	0	112.7	F428 P469 G471 F475 Q476 N477	F428-K473 HydrophobicContact CB-CB 3.91Å; F428-K473 HydrophobicContact CD2-CB 4.34Å; F428-K473 HydrophobicContact CD2-CD 4.38Å; F428-K473 HydrophobicContact CG-CB 4.14Å; P469-K473 WeakPolarHBondContact O-CG 3.28Å; P469-K473 PolarHBondContact O-N 3.37Å; G471-K473 VanDerWaalsContact C-N 3.34Å; K473-F475 VanDerWaalsContact C-N 3.26Å; K473-F475 PolarHBondContact O-N 3.07Å; K473-Q476 WeakPolarHBondContact O-CB 3.27Å; K473-Q476 PolarHBondContact O-N 3.48Å; K473-Q476 VanDerWaalsContact O-N 3.1Å; K473-N477 WeakPolarHBondContact O-CB 3.49Å; K473-N477 PolarHBondContact O-N 3.49Å; K473-N477 PolarHBondContact O-OD1 3.13Å
474	L	97.4	Very high	94.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-55.7	-44.9	173.9	174.4	58	0	0	0	110.5	F428 V431 I465 N470 G471 Q476 N477 L478	F428-L474 HydrophobicContact CB-CB 4.18Å; V431-L474 HydrophobicContact CG1-CD1 3.85Å; V431-L474 HydrophobicContact CG2-CD1 3.95Å; I465-L474 HydrophobicContact CG2-CD2 4.07Å; N470-L474 WeakPolarHBondContact O-CB 3.35Å; N470-L474 PolarHBondContact O-N 3.39Å; G471-L474 PolarHBondContact O-N 3.01Å; L474-Q476 PolarHBondContact O-N 2.9Å; L474-N477 PolarHBondContact O-N 3.22Å; L474-L478 HydrophobicContact CD1-CD1 3.99Å; L474-L478 HydrophobicContact CD1-CD2 4.47Å; L474-L478 HydrophobicContact CD1-CG 3.98Å; L474-L478 HydrophobicContact CG-CD1 4.12Å; L474-L478 HydrophobicContact CG-CG 4.49Å; L474-L478 WeakPolarHBondContact O-CB 3.32Å; L474-L478 VanDerWaalsContact O-CG 3.23Å; L474-L478 WeakPolarHBondContact O-CG 3.29Å; L474-L478 PolarHBondContact O-N 3.03Å
475	F	96.4	Very high	93.4	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-68.3	-31.1	177	-79	15.6	0	0	0	113.6	I460 I465 L466 G471 E472 K473 R479 F489	I460-F475 HydrophobicContact CD1-CE1 3.83Å; I460-F475 HydrophobicContact CD1-CZ 4.11Å; I465-F475 HydrophobicContact CB-CE1 4.32Å; I465-F475 HydrophobicContact CB-CZ 4.46Å; I465-F475 HydrophobicContact CD1-CE1 3.59Å; I465-F475 HydrophobicContact CD1-CZ 3.78Å; I465-F475 HydrophobicContact CG2-CD1 4.45Å; I465-F475 HydrophobicContact CG2-CE1 3.96Å; L466-F475 HydrophobicContact CD1-CE2 4.15Å; L466-F475 HydrophobicContact CD2-CD2 3.87Å; L466-F475 HydrophobicContact CD2-CE2 4.03Å; L466-F475 HydrophobicContact CD2-CG 4.37Å; L466-F475 HydrophobicContact CG-CD2 4.49Å; L466-F475 HydrophobicContact CG-CE2 4.17Å; G471-F475 PolarHBondContact O-N 2.88Å; E472-F475 PolarHBondContact O-N 3.22Å; K473-F475 VanDerWaalsContact C-N 3.26Å; K473-F475 PolarHBondContact O-N 3.07Å; F475-R479 VanDerWaalsContact C-NH1 3.33Å; F475-R479 VanDerWaalsContact O-CG 3.28Å; F475-R479 WeakPolarHBondContact O-CG 3.5Å; F475-R479 PolarHBondContact O-N 3.22Å; F475-R479 PolarHBondContact O-NH1 3.01Å; F475-F489 HydrophobicContact CB-CB 4.31Å; F475-F489 HydrophobicContact CD1-CB 4.14Å; F475-F489 HydrophobicContact CD2-CB 3.73Å; F475-F489 WeakPolarHBondContact CD2-O 3.47Å; F475-F489 HydrophobicContact CE1-CB 4.32Å; F475-F489 HydrophobicContact CE2-CB 3.94Å; F475-F489 WeakPolarHBondContact CE2-O 3.25Å; F475-F489 HydrophobicContact CG-CB 3.82Å; F475-F489 HydrophobicContact CZ-CB 4.21Å
476	Q	95.8	Very high	92.8	Very high	108 Å²	108	57.9 Å²	57.9	51%	0.505	31%	0.305	S	S	.	.	H	α-helix	trans	-65.5	-52.5	171.6	-73	164	-4.2	0	0	110.3	E472 K473 L474 L478 R479 T480	E472-Q476 WeakPolarHBondContact O-CG 3.31Å; E472-Q476 PolarHBondContact O-N 2.91Å; K473-Q476 WeakPolarHBondContact O-CB 3.27Å; K473-Q476 PolarHBondContact O-N 3.48Å; K473-Q476 VanDerWaalsContact O-N 3.1Å; L474-Q476 PolarHBondContact O-N 2.9Å; Q476-L478 VanDerWaalsContact C-N 3.32Å; Q476-L478 PolarHBondContact O-N 3.16Å; Q476-R479 PolarHBondContact O-N 2.9Å; Q476-R479 VanDerWaalsContact O-N 3.12Å; Q476-T480 PolarHBondContact O-N 2.95Å; Q476-T480 PolarHBondContact O-OG1 3.4Å
477	N	96.2	Very high	92.7	Very high	20 Å²	20	55.5 Å²	55.5	11%	0.107	29%	0.293	C	S	.	.	H	α-helix	trans	-59.6	-40.9	-179.2	-61.9	15.2	0	0	0	111.6	F428 V431 E432 K473 L474 T480 L481	F428-N477 PolarHBondContact O-ND2 2.98Å; V431-N477 HydrophobicContact CG2-CB 3.93Å; E432-N477 VanDerWaalsContact CD-CG 3.41Å; E432-N477 HydrophobicContact CG-CB 3.99Å; E432-N477 PolarHBondContact OE1-ND2 3.49Å; E432-N477 PolarHBondContact OE2-ND2 3.23Å; K473-N477 WeakPolarHBondContact O-CB 3.49Å; K473-N477 PolarHBondContact O-N 3.49Å; K473-N477 PolarHBondContact O-OD1 3.13Å; L474-N477 PolarHBondContact O-N 3.22Å; N477-T480 PolarHBondContact O-N 3.14Å; N477-L481 WeakPolarHBondContact O-CG 3.4Å; N477-L481 PolarHBondContact O-N 3.49Å
478	L	96.4	Very high	92.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.6	-39.8	175.5	-69.2	179.2	0	0	0	113.1	V431 W441 L474 Q476 T480 L481 M482 F489	V431-L478 HydrophobicContact CB-CD2 4.35Å; V431-L478 HydrophobicContact CG1-CD2 4.21Å; V431-L478 HydrophobicContact CG2-CD2 4.41Å; W441-L478 HydrophobicContact CD2-CD2 3.62Å; W441-L478 HydrophobicContact CE3-CD2 4.29Å; W441-L478 HydrophobicContact CG-CD2 3.82Å; W441-L478 HydrophobicContact CH2-CD1 4.33Å; W441-L478 HydrophobicContact CH2-CD2 4.44Å; W441-L478 HydrophobicContact CZ2-CD1 4.14Å; W441-L478 HydrophobicContact CZ2-CD2 3.79Å; L474-L478 HydrophobicContact CD1-CD1 3.99Å; L474-L478 HydrophobicContact CD1-CD2 4.47Å; L474-L478 HydrophobicContact CD1-CG 3.98Å; L474-L478 HydrophobicContact CG-CD1 4.12Å; L474-L478 HydrophobicContact CG-CG 4.49Å; L474-L478 WeakPolarHBondContact O-CB 3.32Å; L474-L478 VanDerWaalsContact O-CG 3.23Å; L474-L478 WeakPolarHBondContact O-CG 3.29Å; L474-L478 PolarHBondContact O-N 3.03Å; Q476-L478 VanDerWaalsContact C-N 3.32Å; Q476-L478 PolarHBondContact O-N 3.16Å; L478-T480 VanDerWaalsContact C-N 3.34Å; L478-T480 PolarHBondContact O-N 2.93Å; L478-L481 HydrophobicContact CD2-CD1 4.39Å; L478-L481 PolarHBondContact O-N 3.03Å; L478-M482 WeakPolarHBondContact O-CG 3.46Å; L478-M482 PolarHBondContact O-N 2.94Å; L478-M482 VanDerWaalsContact O-N 3.12Å; L478-F489 HydrophobicContact CB-CD2 4.03Å; L478-F489 HydrophobicContact CB-CE1 4.27Å; L478-F489 HydrophobicContact CB-CE2 3.57Å; L478-F489 HydrophobicContact CB-CZ 3.69Å; L478-F489 HydrophobicContact CD1-CD1 4.23Å; L478-F489 HydrophobicContact CD1-CE1 3.88Å; L478-F489 HydrophobicContact CD1-CZ 4.1Å; L478-F489 HydrophobicContact CG-CZ 4.42Å
479	R	95	Very high	93	Very high	93 Å²	93	53.7 Å²	53.7	35%	0.351	28%	0.276	S	S	.	.	H	α-helix	trans	-63.6	-39.7	173.4	-70.4	-176.8	-160.8	96	-3.5	111.7	F475 Q476 M482 T483 V487 F489	F475-R479 VanDerWaalsContact C-NH1 3.33Å; F475-R479 VanDerWaalsContact O-CG 3.28Å; F475-R479 WeakPolarHBondContact O-CG 3.5Å; F475-R479 PolarHBondContact O-N 3.22Å; F475-R479 PolarHBondContact O-NH1 3.01Å; Q476-R479 PolarHBondContact O-N 2.9Å; Q476-R479 VanDerWaalsContact O-N 3.12Å; R479-M482 PolarHBondContact O-N 3.14Å; R479-T483 PolarHBondContact O-N 3.47Å; R479-T483 PolarHBondContact O-OG1 2.98Å; R479-V487 WeakPolarHBondContact CG-O 3.42Å; R479-F489 HydrophobicContact CG-CD2 3.8Å; R479-F489 HydrophobicContact CG-CE2 4.43Å; R479-F489 PolarHBondContact NH2-O 2.87Å
480	T	94.2	Very high	93	Very high	96 Å²	96	53.7 Å²	53.7	59%	0.589	27%	0.269	S	S	*	.	H	α-helix	trans	-62.6	-44.4	174.6	-59.1	0	0	0	0	111.5	Q476 N477 L478 M482 T483	Q476-T480 PolarHBondContact O-N 2.95Å; Q476-T480 PolarHBondContact O-OG1 3.4Å; N477-T480 PolarHBondContact O-N 3.14Å; L478-T480 VanDerWaalsContact C-N 3.34Å; L478-T480 PolarHBondContact O-N 2.93Å; T480-M482 VanDerWaalsContact C-N 3.26Å; T480-M482 PolarHBondContact O-N 2.74Å; T480-T483 VanDerWaalsContact O-CB 3.32Å; T480-T483 WeakPolarHBondContact O-CB 3.39Å; T480-T483 PolarHBondContact O-N 3.46Å; T480-T483 PolarHBondContact O-OG1 2.73Å
481	L	94.3	Very high	93	Very high	23 Å²	23	50.9 Å²	50.9	12%	0.12	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-26.3	178.5	-73.7	165.9	0	0	0	113.8	V431 I438 W441 N477 L478	V431-L481 HydrophobicContact CB-CD1 4.06Å; V431-L481 HydrophobicContact CG2-CD1 4.17Å; V431-L481 WeakPolarHBondContact O-CD1 3.44Å; I438-L481 HydrophobicContact CB-CD2 4.45Å; I438-L481 HydrophobicContact CG1-CD2 4.24Å; I438-L481 HydrophobicContact CG2-CD2 4.05Å; W441-L481 HydrophobicContact CB-CB 4.09Å; N477-L481 WeakPolarHBondContact O-CG 3.4Å; N477-L481 PolarHBondContact O-N 3.49Å; L478-L481 HydrophobicContact CD2-CD1 4.39Å; L478-L481 PolarHBondContact O-N 3.03Å
482	M	93.7	Very high	92.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	0.4	177.7	-61.1	-168.4	83.3	0	0	114.2	W441 L444 M448 I458 L478 R479 T480 Y485 V487 F489	W441-M482 HydrophobicContact CE3-SD 3.93Å; W441-M482 HydrophobicContact CZ3-SD 4.38Å; L444-M482 HydrophobicContact CB-CE 4.27Å; L444-M482 HydrophobicContact CD2-CE 4.25Å; L444-M482 HydrophobicContact CG-CE 3.97Å; M448-M482 HydrophobicContact CG-CE 3.75Å; M448-M482 HydrophobicContact SD-CE 4.33Å; I458-M482 HydrophobicContact CD1-CE 3.88Å; I458-M482 HydrophobicContact CD1-SD 3.78Å; L478-M482 WeakPolarHBondContact O-CG 3.46Å; L478-M482 PolarHBondContact O-N 2.94Å; L478-M482 VanDerWaalsContact O-N 3.12Å; R479-M482 PolarHBondContact O-N 3.14Å; T480-M482 VanDerWaalsContact C-N 3.26Å; T480-M482 PolarHBondContact O-N 2.74Å; M482-Y485 PolarHBondContact O-N 2.93Å; M482-Y485 VanDerWaalsContact O-O 3.08Å; M482-V487 HydrophobicContact CB-CB 4.46Å; M482-V487 HydrophobicContact CB-CG2 4.41Å; M482-V487 HydrophobicContact CE-CG2 4.06Å; M482-V487 HydrophobicContact SD-CB 4.27Å; M482-V487 HydrophobicContact SD-CG1 4.03Å; M482-V487 HydrophobicContact SD-CG2 4.19Å; M482-F489 HydrophobicContact SD-CE2 3.73Å; M482-F489 HydrophobicContact SD-CZ 3.52Å; M482-F489 VanDerWaalsContact SD-CZ 3.52Å
483	T	86.3	Confident	92.8	Very high	99 Å²	99	51 Å²	51	61%	0.607	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	137.4	174.4	-63	0	0	0	0	109.7	R479 T480	R479-T483 PolarHBondContact O-N 3.47Å; R479-T483 PolarHBondContact O-OG1 2.98Å; T480-T483 VanDerWaalsContact O-CB 3.32Å; T480-T483 WeakPolarHBondContact O-CB 3.39Å; T480-T483 PolarHBondContact O-N 3.46Å; T480-T483 PolarHBondContact O-OG1 2.73Å
484	P	83.2	Confident	92.5	Very high	77 Å²	77	48.6 Å²	48.6	50%	0.5	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	cis	-84.4	-11.3	14.6	34.5	-38.1	0	0	0	116	K486	P484-K486 PolarHBondContact O-N 3.22Å; P484-K486 VanDerWaalsContact O-N 3.07Å
485	Y	76.3	Confident	92.2	Very high	21 Å²	21	57.2 Å²	57.2	8%	0.082	30%	0.295	C	S	.	.	S	Bend	trans	-70.8	106.6	-174	-47.9	-82.5	0	0	0	110.1	W327 E330 S445 R446 K450 M482 V487	W327-Y485 AromaticContact CD1-CD1 3.94Å; W327-Y485 AromaticContact CD1-CE1 3.44Å; W327-Y485 VanDerWaalsContact CD1-CE1 3.44Å; W327-Y485 AromaticContact NE1-CD1 3.63Å; W327-Y485 AromaticContact NE1-CE1 3.62Å; E330-Y485 WeakPolarHBondContact OE2-CE1 3.47Å; E330-Y485 PolarHBondContact OE2-OH 3.38Å; S445-Y485 VanDerWaalsContact OG-CD2 3.26Å; S445-Y485 WeakPolarHBondContact OG-CD2 3.42Å; R446-Y485 HydrophobicContact CG-CE2 4.13Å; K450-Y485 HydrophobicContact CD-CD1 4.34Å; K450-Y485 HydrophobicContact CD-CE1 3.96Å; K450-Y485 HydrophobicContact CG-CD1 3.84Å; K450-Y485 HydrophobicContact CG-CE1 3.95Å; M482-Y485 PolarHBondContact O-N 2.93Å; M482-Y485 VanDerWaalsContact O-O 3.08Å; Y485-V487 PolarHBondContact O-N 2.85Å
486	K	82.1	Confident	92.1	Very high	175 Å²	175	58.9 Å²	58.9	76%	0.761	31%	0.307	S	S	*	.			trans	-65.6	94.2	-171.9	-65.9	175.3	-175.3	169.3	0	111.4	N456 P484	N456-K486 PolarHBondContact N-O 2.8Å; P484-K486 PolarHBondContact O-N 3.22Å; P484-K486 VanDerWaalsContact O-N 3.07Å
487	V	93.1	Very high	92.1	Very high	11 Å²	11	57.5 Å²	57.5	7%	0.067	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.7	178	172	0	0	0	0	110.3	M448 N456 I458 R479 M482 Y485 F489	M448-V487 HydrophobicContact CB-CG2 4.22Å; M448-V487 HydrophobicContact CE-CG2 4.42Å; M448-V487 HydrophobicContact CG-CG2 3.8Å; N456-V487 HydrophobicContact CB-CG2 4.26Å; N456-V487 CarbonylContact O-C 3.52Å; N456-V487 VanDerWaalsContact O-CA 3.3Å; N456-V487 WeakPolarHBondContact O-CA 3.29Å; I458-V487 HydrophobicContact CB-CG1 4.3Å; I458-V487 HydrophobicContact CD1-CG1 3.8Å; I458-V487 HydrophobicContact CG1-CG1 3.69Å; R479-V487 WeakPolarHBondContact CG-O 3.42Å; M482-V487 HydrophobicContact CB-CB 4.46Å; M482-V487 HydrophobicContact CB-CG2 4.41Å; M482-V487 HydrophobicContact CE-CG2 4.06Å; M482-V487 HydrophobicContact SD-CB 4.27Å; M482-V487 HydrophobicContact SD-CG1 4.03Å; M482-V487 HydrophobicContact SD-CG2 4.19Å; Y485-V487 PolarHBondContact O-N 2.85Å; V487-F489 HydrophobicContact CG1-CD2 4.05Å; V487-F489 HydrophobicContact CG1-CE2 3.77Å; V487-F489 HydrophobicContact CG1-CZ 4.3Å
488	T	94.5	Very high	92	Very high	40 Å²	40	62.7 Å²	62.7	25%	0.245	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	143.6	164	58	0	0	0	0	110.4	P455 N456 I458	P455-T488 HydrophobicContact CB-CG2 4.24Å; P455-T488 HydrophobicContact CG-CG2 4.27Å; N456-T488 PolarHBondContact O-N 2.73Å; N456-T488 PolarHBondContact O-OG1 3.33Å; I458-T488 PolarHBondContact N-O 3.21Å
489	F	95.9	Very high	92	Very high	4 Å²	4	62.7 Å²	62.7	2%	0.018	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.7	172.7	-80.7	-87.5	0	0	0	109.5	W441 I458 I460 F475 L478 R479 M482 V487	W441-F489 HydrophobicContact CE3-CZ 4.12Å; W441-F489 HydrophobicContact CH2-CE1 4.06Å; W441-F489 HydrophobicContact CH2-CZ 4.33Å; W441-F489 AromaticContact CZ3-CE1 3.82Å; W441-F489 HydrophobicContact CZ3-CE1 3.82Å; W441-F489 AromaticContact CZ3-CZ 3.72Å; W441-F489 HydrophobicContact CZ3-CZ 3.72Å; I458-F489 HydrophobicContact CB-CD1 3.89Å; I458-F489 HydrophobicContact CB-CE1 3.79Å; I458-F489 HydrophobicContact CB-CZ 4.38Å; I458-F489 HydrophobicContact CD1-CE1 4.02Å; I458-F489 HydrophobicContact CD1-CZ 3.89Å; I458-F489 HydrophobicContact CG1-CE1 4.44Å; I458-F489 HydrophobicContact CG2-CD1 3.95Å; I458-F489 HydrophobicContact CG2-CE1 3.67Å; I458-F489 WeakPolarHBondContact O-CA 3.41Å; I460-F489 HydrophobicContact CD1-CD1 3.74Å; I460-F489 HydrophobicContact CD1-CE1 4.16Å; I460-F489 HydrophobicContact CG1-CD1 4.47Å; F475-F489 HydrophobicContact CB-CB 4.31Å; F475-F489 HydrophobicContact CD1-CB 4.14Å; F475-F489 HydrophobicContact CD2-CB 3.73Å; F475-F489 WeakPolarHBondContact CD2-O 3.47Å; F475-F489 HydrophobicContact CE1-CB 4.32Å; F475-F489 HydrophobicContact CE2-CB 3.94Å; F475-F489 WeakPolarHBondContact CE2-O 3.25Å; F475-F489 HydrophobicContact CG-CB 3.82Å; F475-F489 HydrophobicContact CZ-CB 4.21Å; L478-F489 HydrophobicContact CB-CD2 4.03Å; L478-F489 HydrophobicContact CB-CE1 4.27Å; L478-F489 HydrophobicContact CB-CE2 3.57Å; L478-F489 HydrophobicContact CB-CZ 3.69Å; L478-F489 HydrophobicContact CD1-CD1 4.23Å; L478-F489 HydrophobicContact CD1-CE1 3.88Å; L478-F489 HydrophobicContact CD1-CZ 4.1Å; L478-F489 HydrophobicContact CG-CZ 4.42Å; R479-F489 HydrophobicContact CG-CD2 3.8Å; R479-F489 HydrophobicContact CG-CE2 4.43Å; R479-F489 PolarHBondContact NH2-O 2.87Å; M482-F489 HydrophobicContact SD-CE2 3.73Å; M482-F489 HydrophobicContact SD-CZ 3.52Å; M482-F489 VanDerWaalsContact SD-CZ 3.52Å; V487-F489 HydrophobicContact CG1-CD2 4.05Å; V487-F489 HydrophobicContact CG1-CE2 3.77Å; V487-F489 HydrophobicContact CG1-CZ 4.3Å
490	E	95.8	Very high	92	Very high	82 Å²	82	62 Å²	62	38%	0.383	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	144.1	-176.9	-64.9	-169.5	-153.2	0	0	111.2	V457 I458 H459 I460	V457-E490 HydrophobicContact CG1-CB 4.43Å; V457-E490 HydrophobicContact CG1-CG 4.11Å; I458-E490 PolarHBondContact O-N 3.39Å; H459-E490 CarbonylContact C-O 3.41Å; H459-E490 WeakPolarHBondContact CA-O 3.45Å; I460-E490 PolarHBondContact N-O 3.5Å
491	S	96.3	Very high	92.1	Very high	8 Å²	8	63.4 Å²	63.4	6%	0.056	34%	0.337	C	S	.	.			trans	-148.7	68.3	174.9	-172.9	0	0	0	0	109.3	I460	I460-S491 WeakPolarHBondContact O-CA 3.47Å; I460-S491 WeakPolarHBondContact O-CB 3.38Å; I460-S491 PolarHBondContact O-OG 2.9Å
492	P	94.8	Very high	92.2	Very high	19 Å²	19	62.5 Å²	62.5	12%	0.123	33%	0.332	C	S	.	.			trans	-68.8	141.9	177.8	30.3	-35	0	0	0	110.3	E494 Q498 M502	P492-E494 PolarHBondContact O-N 3.35Å; P492-Q498 HydrophobicContact CB-CB 3.69Å; P492-Q498 HydrophobicContact CG-CB 4.42Å; P492-M502 HydrophobicContact CG-CB 4.06Å; P492-M502 HydrophobicContact CG-CE 4.13Å; P492-M502 HydrophobicContact CG-CG 4.49Å; P492-M502 HydrophobicContact CG-SD 3.69Å
493	L	93.7	Very high	92.3	Very high	90 Å²	90	62.6 Å²	62.6	47%	0.471	33%	0.332	S	S	.	.			trans	-59	126.7	173.6	-69.4	171.9	0	0	0	109.8	Y464 L495 S496 G499	Y464-L493 HydrophobicContact CD1-CD2 3.99Å; Y464-L493 HydrophobicContact CD2-CD2 3.51Å; Y464-L493 HydrophobicContact CD2-CG 4.13Å; Y464-L493 HydrophobicContact CE1-CD2 4.37Å; Y464-L493 HydrophobicContact CE2-CD2 3.96Å; Y464-L493 HydrophobicContact CE2-CG 4.15Å; Y464-L493 HydrophobicContact CG-CD2 3.55Å; L493-L495 PolarHBondContact O-N 3.37Å; L493-S496 VanDerWaalsContact O-CB 3.29Å; L493-S496 WeakPolarHBondContact O-CB 3.31Å; L493-S496 PolarHBondContact O-N 3.1Å; L493-S496 PolarHBondContact O-OG 2.9Å; L493-G499 WeakPolarHBondContact O-CA 3.32Å
494	E	91	Very high	92.8	Very high	50 Å²	50	60.5 Å²	60.5	23%	0.234	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-27.3	-176.4	-61.9	-178.5	-150.8	0	0	114.5	M461 P492 I503 Y512 K516	M461-E494 HydrophobicContact CE-CG 4.39Å; P492-E494 PolarHBondContact O-N 3.35Å; E494-I503 HydrophobicContact CB-CD1 4.13Å; E494-Y512 VanDerWaalsContact CD-OH 3.29Å; E494-Y512 PolarHBondContact OE2-OH 3.38Å; E494-K516 IonicContact OE1-NZ 3.35Å; E494-K516 PolarHBondContact OE1-NZ 3.48Å; E494-K516 WeakPolarHBondContact OE2-CE 3.37Å; E494-K516 IonicContact OE2-NZ 2.71Å; E494-K516 PolarHBondContact OE2-NZ 3.46Å
495	L	90.6	Very high	93.5	Very high	181 Å²	181	58.9 Å²	58.9	95%	0.948	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-0.6	179.4	-60.2	177.1	0	0	0	113.8	L493	L493-L495 PolarHBondContact O-N 3.37Å
496	S	94.3	Very high	94.5	Very high	40 Å²	40	57.9 Å²	57.9	28%	0.28	30%	0.3	S	S	.	.	S	Bend	trans	-90.8	166.1	177.3	75.6	0	0	0	0	111.8	L493 Q498 G499 K500	L493-S496 VanDerWaalsContact O-CB 3.29Å; L493-S496 WeakPolarHBondContact O-CB 3.31Å; L493-S496 PolarHBondContact O-N 3.1Å; L493-S496 PolarHBondContact O-OG 2.9Å; S496-Q498 VanDerWaalsContact C-N 3.31Å; S496-Q498 PolarHBondContact O-N 2.85Å; S496-G499 PolarHBondContact O-N 3.1Å; S496-G499 VanDerWaalsContact O-N 3.12Å; S496-G499 PolarHBondContact OG-N 2.98Å; S496-K500 PolarHBondContact O-N 3.36Å
497	A	95.6	Very high	95.2	Very high	78 Å²	78	49.6 Å²	49.6	65%	0.645	26%	0.264	S	S	*	.	H	α-helix	trans	-60	-40.7	175.6	0	0	0	0	0	112.3	K500 Q501	A497-K500 PolarHBondContact O-N 2.93Å; A497-Q501 WeakPolarHBondContact O-CG 3.45Å; A497-Q501 PolarHBondContact O-N 3.32Å
498	Q	94.9	Very high	95.4	Very high	129 Å²	129	51.9 Å²	51.9	60%	0.603	28%	0.277	S	S	*	.	H	α-helix	trans	-65.7	-38.6	173.4	-68.9	172	-30.6	0	0	111.6	P492 S496 K500 Q501 M502	P492-Q498 HydrophobicContact CB-CB 3.69Å; P492-Q498 HydrophobicContact CG-CB 4.42Å; S496-Q498 VanDerWaalsContact C-N 3.31Å; S496-Q498 PolarHBondContact O-N 2.85Å; Q498-K500 VanDerWaalsContact C-N 3.35Å; Q498-K500 PolarHBondContact O-N 3.4Å; Q498-Q501 PolarHBondContact O-N 3.03Å; Q498-M502 WeakPolarHBondContact O-CB 3.38Å; Q498-M502 PolarHBondContact O-N 2.98Å
499	G	95.3	Very high	95.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.7	-40.9	174.7	0	0	0	0	0	112.3	L493 S496 M502 I503	L493-G499 WeakPolarHBondContact O-CA 3.32Å; S496-G499 PolarHBondContact O-N 3.1Å; S496-G499 VanDerWaalsContact O-N 3.12Å; S496-G499 PolarHBondContact OG-N 2.98Å; G499-M502 PolarHBondContact O-N 3.24Å; G499-I503 WeakPolarHBondContact O-CB 3.49Å; G499-I503 WeakPolarHBondContact O-CD1 3.41Å; G499-I503 WeakPolarHBondContact O-CG1 3.38Å; G499-I503 PolarHBondContact O-N 2.87Å
500	K	96	Very high	95.3	Very high	80 Å²	80	62.2 Å²	62.2	35%	0.348	31%	0.312	S	S	.	.	H	α-helix	trans	-61.6	-47.1	172.5	175	171.4	-175.3	-69.6	0	111.8	S496 A497 Q498 M502 I503 E504 F509	S496-K500 PolarHBondContact O-N 3.36Å; A497-K500 PolarHBondContact O-N 2.93Å; Q498-K500 VanDerWaalsContact C-N 3.35Å; Q498-K500 PolarHBondContact O-N 3.4Å; K500-M502 PolarHBondContact O-N 3.39Å; K500-I503 PolarHBondContact O-N 3.35Å; K500-E504 VanDerWaalsContact CE-OE1 3.23Å; K500-E504 WeakPolarHBondContact CE-OE1 3.4Å; K500-E504 HydrophobicContact CG-CG 4.44Å; K500-E504 WeakPolarHBondContact CG-OE2 3.46Å; K500-E504 IonicContact NZ-OE1 2.75Å; K500-E504 PolarHBondContact NZ-OE1 2.93Å; K500-E504 IonicContact NZ-OE2 3.19Å; K500-E504 PolarHBondContact NZ-OE2 3.4Å; K500-E504 WeakPolarHBondContact O-CB 3.3Å; K500-E504 WeakPolarHBondContact O-CG 3.49Å; K500-E504 PolarHBondContact O-N 3.38Å; K500-F509 HydrophobicContact CB-CE2 4.3Å; K500-F509 HydrophobicContact CD-CE1 4.2Å; K500-F509 HydrophobicContact CD-CE2 4.15Å; K500-F509 HydrophobicContact CD-CZ 3.77Å; K500-F509 HydrophobicContact CG-CD2 4.29Å; K500-F509 HydrophobicContact CG-CE2 3.74Å; K500-F509 HydrophobicContact CG-CZ 3.9Å
501	Q	96	Very high	95.3	Very high	124 Å²	124	60.3 Å²	60.3	58%	0.579	31%	0.305	S	S	*	.	H	α-helix	trans	-61.1	-42.9	177.2	-72.1	167.5	-29.1	0	0	112.3	A497 Q498 E504 T505	A497-Q501 WeakPolarHBondContact O-CG 3.45Å; A497-Q501 PolarHBondContact O-N 3.32Å; Q498-Q501 PolarHBondContact O-N 3.03Å; Q501-E504 PolarHBondContact O-N 2.93Å; Q501-T505 PolarHBondContact O-N 2.99Å; Q501-T505 VanDerWaalsContact O-N 3.1Å; Q501-T505 PolarHBondContact O-OG1 3.47Å
502	M	96.4	Very high	95.2	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.02	30%	0.303	C	S	.	.	H	α-helix	trans	-58.9	-48.7	172	174.5	-172.7	73	0	0	111.1	L408 H459 M461 P492 Q498 G499 K500 E504 T505 Y506	L408-M502 HydrophobicContact CD1-SD 4.4Å; H459-M502 HydrophobicContact CB-CG 4.13Å; H459-M502 HydrophobicContact CB-SD 3.87Å; M461-M502 HydrophobicContact CB-CE 4.21Å; M461-M502 HydrophobicContact CG-CE 3.96Å; M461-M502 HydrophobicContact SD-CE 3.77Å; P492-M502 HydrophobicContact CG-CB 4.06Å; P492-M502 HydrophobicContact CG-CE 4.13Å; P492-M502 HydrophobicContact CG-CG 4.49Å; P492-M502 HydrophobicContact CG-SD 3.69Å; Q498-M502 WeakPolarHBondContact O-CB 3.38Å; Q498-M502 PolarHBondContact O-N 2.98Å; G499-M502 PolarHBondContact O-N 3.24Å; K500-M502 PolarHBondContact O-N 3.39Å; M502-E504 PolarHBondContact O-N 3.14Å; M502-T505 VanDerWaalsContact O-CB 3.31Å; M502-T505 WeakPolarHBondContact O-CB 3.38Å; M502-T505 PolarHBondContact O-N 3.49Å; M502-T505 VanDerWaalsContact O-N 3.12Å; M502-Y506 HydrophobicContact CG-CE2 4.47Å; M502-Y506 VanDerWaalsContact O-CD2 3.24Å; M502-Y506 WeakPolarHBondContact O-CD2 3.1Å
503	I	97	Very high	95.2	Very high	2 Å²	2	67 Å²	67	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-45.8	179.1	-69.9	160.4	0	0	0	110.6	M461 E494 G499 K500 T505 Y506 F507 F509 Y512	M461-I503 HydrophobicContact CE-CD1 4.37Å; M461-I503 HydrophobicContact CE-CG1 3.86Å; E494-I503 HydrophobicContact CB-CD1 4.13Å; G499-I503 WeakPolarHBondContact O-CB 3.49Å; G499-I503 WeakPolarHBondContact O-CD1 3.41Å; G499-I503 WeakPolarHBondContact O-CG1 3.38Å; G499-I503 PolarHBondContact O-N 2.87Å; K500-I503 PolarHBondContact O-N 3.35Å; I503-T505 PolarHBondContact O-N 2.85Å; I503-T505 VanDerWaalsContact O-N 3.15Å; I503-Y506 PolarHBondContact O-N 2.9Å; I503-Y506 VanDerWaalsContact O-N 3.09Å; I503-F507 HydrophobicContact CG2-CB 4.19Å; I503-F507 HydrophobicContact CG2-CD2 4.02Å; I503-F507 PolarHBondContact O-N 2.87Å; I503-F509 HydrophobicContact CG2-CD2 3.86Å; I503-F509 HydrophobicContact CG2-CE2 4.5Å; I503-Y512 HydrophobicContact CD1-CD1 3.99Å; I503-Y512 HydrophobicContact CD1-CE1 3.61Å; I503-Y512 HydrophobicContact CG1-CD1 4.36Å; I503-Y512 HydrophobicContact CG1-CE1 4.18Å; I503-Y512 HydrophobicContact CG2-CD1 3.61Å; I503-Y512 HydrophobicContact CG2-CD2 4.32Å; I503-Y512 HydrophobicContact CG2-CE1 4.26Å; I503-Y512 HydrophobicContact CG2-CG 3.66Å
504	E	96.6	Very high	95.1	Very high	56 Å²	56	65.5 Å²	65.5	26%	0.262	32%	0.318	S	S	.	.	H	α-helix	trans	-67	-9.1	177.8	-75	174.6	148.1	0	0	114.1	R366 K500 Q501 M502 F509	R366-E504 WeakPolarHBondContact CD-O 3.29Å; R366-E504 PolarHBondContact NH1-O 3.37Å; K500-E504 VanDerWaalsContact CE-OE1 3.23Å; K500-E504 WeakPolarHBondContact CE-OE1 3.4Å; K500-E504 HydrophobicContact CG-CG 4.44Å; K500-E504 WeakPolarHBondContact CG-OE2 3.46Å; K500-E504 IonicContact NZ-OE1 2.75Å; K500-E504 PolarHBondContact NZ-OE1 2.93Å; K500-E504 IonicContact NZ-OE2 3.19Å; K500-E504 PolarHBondContact NZ-OE2 3.4Å; K500-E504 WeakPolarHBondContact O-CB 3.3Å; K500-E504 WeakPolarHBondContact O-CG 3.49Å; K500-E504 PolarHBondContact O-N 3.38Å; Q501-E504 PolarHBondContact O-N 2.93Å; M502-E504 PolarHBondContact O-N 3.14Å; E504-F509 HydrophobicContact CG-CB 3.84Å; E504-F509 HydrophobicContact CG-CD2 4.09Å; E504-F509 HydrophobicContact CG-CG 4.1Å
505	T	96.3	Very high	95.2	Very high	42 Å²	42	63.2 Å²	63.2	26%	0.258	31%	0.307	S	S	.	.	H	α-helix	trans	-80.6	-21.8	172	-57.4	0	0	0	0	112.6	Q501 M502 I503	Q501-T505 PolarHBondContact O-N 2.99Å; Q501-T505 VanDerWaalsContact O-N 3.1Å; Q501-T505 PolarHBondContact O-OG1 3.47Å; M502-T505 VanDerWaalsContact O-CB 3.31Å; M502-T505 WeakPolarHBondContact O-CB 3.38Å; M502-T505 PolarHBondContact O-N 3.49Å; M502-T505 VanDerWaalsContact O-N 3.12Å; I503-T505 PolarHBondContact O-N 2.85Å; I503-T505 VanDerWaalsContact O-N 3.15Å
506	Y	97.8	Very high	95.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-128.3	-31.1	-172.6	-58.1	-77.6	0	0	0	114.6	K347 M349 R366 M407 L408 H459 M502 I503	K347-Y506 HydrophobicContact CB-CE1 4.16Å; M349-Y506 HydrophobicContact CG-CD1 3.66Å; M349-Y506 HydrophobicContact CG-CE1 4.29Å; M349-Y506 HydrophobicContact CG-CG 4.31Å; M349-Y506 HydrophobicContact SD-CD1 4.01Å; M349-Y506 HydrophobicContact SD-CG 4.31Å; R366-Y506 PolarHBondContact N-O 3.08Å; R366-Y506 VanDerWaalsContact N-O 3.12Å; M407-Y506 PolarHBondContact O-OH 3.36Å; L408-Y506 HydrophobicContact CB-CD1 4.19Å; L408-Y506 HydrophobicContact CB-CD2 4.16Å; L408-Y506 HydrophobicContact CB-CE1 3.95Å; L408-Y506 HydrophobicContact CB-CE2 3.94Å; L408-Y506 HydrophobicContact CB-CG 4.3Å; L408-Y506 HydrophobicContact CD1-CD2 4.29Å; L408-Y506 HydrophobicContact CD1-CE2 4.16Å; L408-Y506 HydrophobicContact CD2-CD2 4.01Å; L408-Y506 HydrophobicContact CD2-CG 4.09Å; L408-Y506 HydrophobicContact CG-CD2 4.39Å; L408-Y506 HydrophobicContact CG-CE2 4.44Å; H459-Y506 HydrophobicContact CB-CE2 4.5Å; H459-Y506 AromaticContact ND1-CZ 3.96Å; H459-Y506 PolarHBondContact ND1-OH 2.97Å; M502-Y506 HydrophobicContact CG-CE2 4.47Å; M502-Y506 VanDerWaalsContact O-CD2 3.24Å; M502-Y506 WeakPolarHBondContact O-CD2 3.1Å; I503-Y506 PolarHBondContact O-N 2.9Å; I503-Y506 VanDerWaalsContact O-N 3.09Å
507	F	97.5	Very high	95.2	Very high	1 Å²	1	59.7 Å²	59.7	0%	0.004	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-119.8	151.9	-172.3	-53	-78	0	0	0	112.3	M349 I361 I364 I365 R366 L408 F410 M461 I503 F509 Y512	M349-F507 HydrophobicContact CE-CD1 4.04Å; M349-F507 HydrophobicContact CE-CE1 3.26Å; M349-F507 HydrophobicContact CE-CE2 4.22Å; M349-F507 HydrophobicContact CE-CZ 3.38Å; I361-F507 HydrophobicContact CG2-CE1 3.68Å; I361-F507 HydrophobicContact CG2-CZ 4.43Å; I364-F507 HydrophobicContact CD1-CD1 4.02Å; I364-F507 HydrophobicContact CD1-CE1 4.4Å; I364-F507 HydrophobicContact CG1-CD1 4.09Å; I364-F507 WeakPolarHBondContact O-CA 3.33Å; I365-F507 HydrophobicContact CG1-CD1 4.34Å; I365-F507 HydrophobicContact CG1-CE1 4.49Å; R366-F507 WeakPolarHBondContact CG-O 3.46Å; L408-F507 HydrophobicContact CD2-CE2 3.68Å; L408-F507 HydrophobicContact CD2-CZ 3.67Å; F410-F507 HydrophobicContact CD1-CZ 4.09Å; F410-F507 HydrophobicContact CE1-CZ 4.24Å; M461-F507 HydrophobicContact CE-CE2 3.92Å; M461-F507 HydrophobicContact SD-CE2 3.88Å; I503-F507 HydrophobicContact CG2-CB 4.19Å; I503-F507 HydrophobicContact CG2-CD2 4.02Å; I503-F507 PolarHBondContact O-N 2.87Å; F507-F509 PolarHBondContact O-N 3.08Å; F507-Y512 HydrophobicContact CB-CD2 4.31Å; F507-Y512 HydrophobicContact CB-CG 4.39Å; F507-Y512 HydrophobicContact CD1-CD2 4.27Å; F507-Y512 AromaticContact CD2-CD2 3.94Å; F507-Y512 HydrophobicContact CD2-CD2 3.94Å; F507-Y512 HydrophobicContact CD2-CE2 4.46Å; F507-Y512 HydrophobicContact CE2-CD2 4.29Å; F507-Y512 HydrophobicContact CE2-CE2 4.41Å; F507-Y512 AromaticContact CG-CD2 3.92Å; F507-Y512 HydrophobicContact CG-CD2 3.92Å; F507-Y512 HydrophobicContact CG-CG 4.45Å
508	D	96.4	Very high	94.8	Very high	60 Å²	60	59.6 Å²	59.6	32%	0.321	28%	0.275	S	S	.	.			trans	-64.3	122.4	158.3	175.6	-70.8	0	0	0	108.1	I364 R510 L511 Y512	I364-D508 PolarHBondContact O-N 3.44Å; D508-R510 VanDerWaalsContact C-N 3.26Å; D508-R510 PolarHBondContact O-N 3.16Å; D508-R510 VanDerWaalsContact OD1-CA 3.29Å; D508-R510 WeakPolarHBondContact OD1-CA 3.38Å; D508-R510 VanDerWaalsContact OD1-CB 3.23Å; D508-R510 WeakPolarHBondContact OD1-CB 3.42Å; D508-R510 PolarHBondContact OD1-N 3.49Å; D508-L511 HydrophobicContact CB-CB 4.08Å; D508-L511 HydrophobicContact CB-CD1 4.05Å; D508-L511 HydrophobicContact CB-CG 4.07Å; D508-L511 PolarHBondContact O-N 3.24Å; D508-L511 PolarHBondContact OD1-N 2.89Å; D508-Y512 VanDerWaalsContact O-CB 3.26Å; D508-Y512 WeakPolarHBondContact O-CB 3.45Å; D508-Y512 PolarHBondContact O-N 3.25Å
509	F	94.8	Very high	94.4	Very high	54 Å²	54	54.6 Å²	54.6	24%	0.237	25%	0.251	C	S	.	.	H	α-helix	trans	-67.7	-23.3	-173.3	-174.7	-111.7	0	0	0	113.8	K500 I503 E504 F507 R513	K500-F509 HydrophobicContact CB-CE2 4.3Å; K500-F509 HydrophobicContact CD-CE1 4.2Å; K500-F509 HydrophobicContact CD-CE2 4.15Å; K500-F509 HydrophobicContact CD-CZ 3.77Å; K500-F509 HydrophobicContact CG-CD2 4.29Å; K500-F509 HydrophobicContact CG-CE2 3.74Å; K500-F509 HydrophobicContact CG-CZ 3.9Å; I503-F509 HydrophobicContact CG2-CD2 3.86Å; I503-F509 HydrophobicContact CG2-CE2 4.5Å; E504-F509 HydrophobicContact CG-CB 3.84Å; E504-F509 HydrophobicContact CG-CD2 4.09Å; E504-F509 HydrophobicContact CG-CG 4.1Å; F507-F509 PolarHBondContact O-N 3.08Å; F509-R513 HydrophobicContact CE2-CG 4.41Å; F509-R513 HydrophobicContact CZ-CG 4.35Å; F509-R513 WeakPolarHBondContact O-CB 3.35Å; F509-R513 VanDerWaalsContact O-CG 3.23Å; F509-R513 WeakPolarHBondContact O-CG 3.38Å; F509-R513 PolarHBondContact O-N 2.83Å
510	R	94.3	Very high	93.9	Very high	206 Å²	206	61.4 Å²	61.4	78%	0.777	28%	0.283	S	S	*	.	H	α-helix	trans	-78.2	-49.8	176.2	-57.3	170.9	60.6	-172.7	-3.4	109.8	D508 R513 L514	D508-R510 VanDerWaalsContact C-N 3.26Å; D508-R510 PolarHBondContact O-N 3.16Å; D508-R510 VanDerWaalsContact OD1-CA 3.29Å; D508-R510 WeakPolarHBondContact OD1-CA 3.38Å; D508-R510 VanDerWaalsContact OD1-CB 3.23Å; D508-R510 WeakPolarHBondContact OD1-CB 3.42Å; D508-R510 PolarHBondContact OD1-N 3.49Å; R510-R513 PolarHBondContact O-N 3.23Å; R510-L514 PolarHBondContact O-N 3.28Å
511	L	94.8	Very high	93.2	Very high	42 Å²	42	59.8 Å²	59.8	22%	0.22	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-42.1	177.5	-62.3	-177.3	0	0	0	111.2	I364 D508 R513 L514 W515	I364-L511 HydrophobicContact CB-CB 3.74Å; I364-L511 HydrophobicContact CG2-CB 3.74Å; D508-L511 HydrophobicContact CB-CB 4.08Å; D508-L511 HydrophobicContact CB-CD1 4.05Å; D508-L511 HydrophobicContact CB-CG 4.07Å; D508-L511 PolarHBondContact O-N 3.24Å; D508-L511 PolarHBondContact OD1-N 2.89Å; L511-R513 PolarHBondContact O-N 3.31Å; L511-L514 WeakPolarHBondContact O-CB 3.41Å; L511-L514 PolarHBondContact O-N 3.05Å; L511-W515 WeakPolarHBondContact O-CB 3.42Å; L511-W515 PolarHBondContact O-N 3.49Å
512	Y	95.2	Very high	92.1	Very high	6 Å²	6	63.2 Å²	63.2	2%	0.024	29%	0.294	C	S	.	.	H	α-helix	trans	-56.7	-47	172.6	-178.5	-95.2	0	0	0	112.1	I364 F410 M461 E494 I503 F507 D508 L514 W515 K516	I364-Y512 HydrophobicContact CD1-CD2 3.93Å; F410-Y512 HydrophobicContact CE1-CE2 4.48Å; M461-Y512 HydrophobicContact CE-CD2 4.39Å; M461-Y512 HydrophobicContact CE-CE1 4.26Å; M461-Y512 HydrophobicContact CE-CE2 3.4Å; M461-Y512 WeakPolarHBondContact CE-OH 3.44Å; E494-Y512 VanDerWaalsContact CD-OH 3.29Å; E494-Y512 PolarHBondContact OE2-OH 3.38Å; I503-Y512 HydrophobicContact CD1-CD1 3.99Å; I503-Y512 HydrophobicContact CD1-CE1 3.61Å; I503-Y512 HydrophobicContact CG1-CD1 4.36Å; I503-Y512 HydrophobicContact CG1-CE1 4.18Å; I503-Y512 HydrophobicContact CG2-CD1 3.61Å; I503-Y512 HydrophobicContact CG2-CD2 4.32Å; I503-Y512 HydrophobicContact CG2-CE1 4.26Å; I503-Y512 HydrophobicContact CG2-CG 3.66Å; F507-Y512 HydrophobicContact CB-CD2 4.31Å; F507-Y512 HydrophobicContact CB-CG 4.39Å; F507-Y512 HydrophobicContact CD1-CD2 4.27Å; F507-Y512 AromaticContact CD2-CD2 3.94Å; F507-Y512 HydrophobicContact CD2-CD2 3.94Å; F507-Y512 HydrophobicContact CD2-CE2 4.46Å; F507-Y512 HydrophobicContact CE2-CD2 4.29Å; F507-Y512 HydrophobicContact CE2-CE2 4.41Å; F507-Y512 AromaticContact CG-CD2 3.92Å; F507-Y512 HydrophobicContact CG-CD2 3.92Å; F507-Y512 HydrophobicContact CG-CG 4.45Å; D508-Y512 VanDerWaalsContact O-CB 3.26Å; D508-Y512 WeakPolarHBondContact O-CB 3.45Å; D508-Y512 PolarHBondContact O-N 3.25Å; Y512-L514 VanDerWaalsContact C-N 3.35Å; Y512-L514 PolarHBondContact O-N 3.01Å; Y512-W515 HydrophobicContact CD2-CE3 4.22Å; Y512-W515 HydrophobicContact CD2-CZ3 4.45Å; Y512-W515 AromaticContact CE2-CE3 3.92Å; Y512-W515 HydrophobicContact CE2-CE3 3.92Å; Y512-W515 AromaticContact CE2-CZ3 3.73Å; Y512-W515 HydrophobicContact CE2-CZ3 3.73Å; Y512-K516 HydrophobicContact CD1-CB 4.46Å; Y512-K516 HydrophobicContact CE1-CB 4.02Å; Y512-K516 HydrophobicContact CE1-CG 4.09Å; Y512-K516 WeakPolarHBondContact O-CB 3.45Å; Y512-K516 PolarHBondContact O-N 2.93Å; Y512-K516 WeakPolarHBondContact OH-CD 3.36Å; Y512-K516 WeakPolarHBondContact OH-CE 3.42Å; Y512-K516 PolarHBondContact OH-NZ 3.14Å
513	R	93.7	Very high	90.6	Very high	163 Å²	163	68 Å²	68	62%	0.615	32%	0.32	S	S	*	.	H	α-helix	trans	-65.1	-37.6	177.8	-77.1	179.5	65.8	-167.8	-0.2	112.5	F509 R510 L511 S517	F509-R513 HydrophobicContact CE2-CG 4.41Å; F509-R513 HydrophobicContact CZ-CG 4.35Å; F509-R513 WeakPolarHBondContact O-CB 3.35Å; F509-R513 VanDerWaalsContact O-CG 3.23Å; F509-R513 WeakPolarHBondContact O-CG 3.38Å; F509-R513 PolarHBondContact O-N 2.83Å; R510-R513 PolarHBondContact O-N 3.23Å; L511-R513 PolarHBondContact O-N 3.31Å; R513-S517 VanDerWaalsContact O-CB 3.31Å; R513-S517 WeakPolarHBondContact O-CB 3.48Å; R513-S517 PolarHBondContact O-N 3.01Å; R513-S517 PolarHBondContact O-OG 3.27Å
514	L	92.7	Very high	88.7	Confident	58 Å²	58	75.2 Å²	75.2	30%	0.304	36%	0.357	S	S	.	.	H	α-helix	trans	-62.8	-56.9	175.7	178.4	57.1	0	0	0	110.6	R510 L511 Y512 K516 S517 R518 V529 L530	R510-L514 PolarHBondContact O-N 3.28Å; L511-L514 WeakPolarHBondContact O-CB 3.41Å; L511-L514 PolarHBondContact O-N 3.05Å; Y512-L514 VanDerWaalsContact C-N 3.35Å; Y512-L514 PolarHBondContact O-N 3.01Å; L514-K516 PolarHBondContact O-N 3.42Å; L514-S517 PolarHBondContact O-N 2.88Å; L514-S517 PolarHBondContact O-OG 3.31Å; L514-R518 HydrophobicContact CD1-CG 4.44Å; L514-R518 WeakPolarHBondContact O-CB 3.45Å; L514-R518 PolarHBondContact O-N 2.76Å; L514-R518 VanDerWaalsContact O-N 3.1Å; L514-V529 HydrophobicContact CD1-CG1 4.45Å; L514-V529 HydrophobicContact CD2-CG1 4.03Å; L514-L530 HydrophobicContact CD2-CD2 4.08Å; L514-L530 HydrophobicContact CG-CD2 4.41Å
515	W	93.5	Very high	87	Confident	1 Å²	1	75.6 Å²	75.6	0%	0.004	36%	0.361	C	S	.	.	H	α-helix	trans	-54.4	-49.7	175.2	173	92.4	0	0	0	111.5	V355 P356 K357 I361 I364 F410 L511 Y512 S517 R518 Q519	V355-W515 HydrophobicContact CG1-CH2 3.7Å; V355-W515 HydrophobicContact CG1-CZ2 3.96Å; P356-W515 WeakPolarHBondContact O-CZ2 3.5Å; K357-W515 PolarHBondContact O-NE1 3.4Å; I361-W515 HydrophobicContact CD1-CH2 3.91Å; I361-W515 HydrophobicContact CD1-CZ2 3.59Å; I361-W515 HydrophobicContact CG1-CH2 4.16Å; I361-W515 HydrophobicContact CG1-CZ2 3.51Å; I364-W515 HydrophobicContact CD1-CB 3.92Å; I364-W515 HydrophobicContact CD1-CD2 3.94Å; I364-W515 HydrophobicContact CD1-CE3 4.04Å; I364-W515 HydrophobicContact CD1-CG 3.89Å; I364-W515 HydrophobicContact CG2-CB 4.19Å; F410-W515 AromaticContact CE1-CH2 3.83Å; F410-W515 HydrophobicContact CE1-CH2 3.83Å; F410-W515 HydrophobicContact CE1-CZ3 4.07Å; F410-W515 AromaticContact CZ-CH2 3.65Å; F410-W515 HydrophobicContact CZ-CH2 3.65Å; F410-W515 AromaticContact CZ-CZ3 3.91Å; F410-W515 HydrophobicContact CZ-CZ3 3.91Å; L511-W515 WeakPolarHBondContact O-CB 3.42Å; L511-W515 PolarHBondContact O-N 3.49Å; Y512-W515 HydrophobicContact CD2-CE3 4.22Å; Y512-W515 HydrophobicContact CD2-CZ3 4.45Å; Y512-W515 AromaticContact CE2-CE3 3.92Å; Y512-W515 HydrophobicContact CE2-CE3 3.92Å; Y512-W515 AromaticContact CE2-CZ3 3.73Å; Y512-W515 HydrophobicContact CE2-CZ3 3.73Å; W515-S517 VanDerWaalsContact C-N 3.33Å; W515-S517 PolarHBondContact O-N 2.91Å; W515-R518 CarbonylContact O-C 3.58Å; W515-R518 WeakPolarHBondContact O-CA 3.37Å; W515-R518 PolarHBondContact O-N 3.38Å; W515-Q519 PolarHBondContact O-N 3.3Å
516	K	92.8	Very high	85.3	Confident	53 Å²	53	73.7 Å²	73.7	23%	0.23	35%	0.349	C	S	.	.	H	α-helix	trans	-62.2	-37.1	-178.8	-169.3	58.9	161.6	-136	0	113	E494 Y512 L514 R518 Q519	E494-K516 IonicContact OE1-NZ 3.35Å; E494-K516 PolarHBondContact OE1-NZ 3.48Å; E494-K516 WeakPolarHBondContact OE2-CE 3.37Å; E494-K516 IonicContact OE2-NZ 2.71Å; E494-K516 PolarHBondContact OE2-NZ 3.46Å; Y512-K516 HydrophobicContact CD1-CB 4.46Å; Y512-K516 HydrophobicContact CE1-CB 4.02Å; Y512-K516 HydrophobicContact CE1-CG 4.09Å; Y512-K516 WeakPolarHBondContact O-CB 3.45Å; Y512-K516 PolarHBondContact O-N 2.93Å; Y512-K516 WeakPolarHBondContact OH-CD 3.36Å; Y512-K516 WeakPolarHBondContact OH-CE 3.42Å; Y512-K516 PolarHBondContact OH-NZ 3.14Å; L514-K516 PolarHBondContact O-N 3.42Å; K516-R518 VanDerWaalsContact C-N 3.28Å; K516-R518 PolarHBondContact O-N 3.46Å; K516-Q519 VanDerWaalsContact CD-OE1 3.24Å
517	S	90.7	Very high	83.6	Confident	95 Å²	95	79.4 Å²	79.4	66%	0.664	38%	0.38	S	S	*	.	H	α-helix	trans	-68.2	-29.8	174.4	76.8	0	0	0	0	112.7	R513 L514 W515	R513-S517 VanDerWaalsContact O-CB 3.31Å; R513-S517 WeakPolarHBondContact O-CB 3.48Å; R513-S517 PolarHBondContact O-N 3.01Å; R513-S517 PolarHBondContact O-OG 3.27Å; L514-S517 PolarHBondContact O-N 2.88Å; L514-S517 PolarHBondContact O-OG 3.31Å; W515-S517 VanDerWaalsContact C-N 3.33Å; W515-S517 PolarHBondContact O-N 2.91Å
518	R	88.1	Confident	81.9	Confident	76 Å²	76	85.9 Å²	85.9	29%	0.287	41%	0.414	S	S	.	.	H	α-helix	trans	-97.8	-18.9	-176	-72.4	-172.9	167.8	-130.6	3.9	114.2	L514 W515 K516 H520 S521 D525 F526	L514-R518 HydrophobicContact CD1-CG 4.44Å; L514-R518 WeakPolarHBondContact O-CB 3.45Å; L514-R518 PolarHBondContact O-N 2.76Å; L514-R518 VanDerWaalsContact O-N 3.1Å; W515-R518 CarbonylContact O-C 3.58Å; W515-R518 WeakPolarHBondContact O-CA 3.37Å; W515-R518 PolarHBondContact O-N 3.38Å; K516-R518 VanDerWaalsContact C-N 3.28Å; K516-R518 PolarHBondContact O-N 3.46Å; R518-H520 PolarHBondContact O-N 3.03Å; R518-S521 WeakPolarHBondContact O-CA 3.45Å; R518-S521 WeakPolarHBondContact O-CB 3.49Å; R518-S521 PolarHBondContact O-N 3.41Å; R518-D525 PolarHBondContact NH1-O 2.95Å; R518-F526 HydrophobicContact CB-CE1 3.53Å; R518-F526 HydrophobicContact CB-CZ 3.62Å; R518-F526 VanDerWaalsContact O-CZ 3.24Å; R518-F526 WeakPolarHBondContact O-CZ 3.29Å
519	Q	85.9	Confident	80.2	Confident	23 Å²	23	85.5 Å²	85.5	11%	0.107	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-40.1	-166.7	73	-179	15.8	0	0	114.5	P356 K357 W515 K516	P356-Q519 HydrophobicContact CB-CB 4.32Å; P356-Q519 HydrophobicContact CB-CG 4.38Å; K357-Q519 PolarHBondContact NZ-O 3.48Å; K357-Q519 VanDerWaalsContact NZ-O 3.08Å; W515-Q519 PolarHBondContact O-N 3.3Å; K516-Q519 VanDerWaalsContact CD-OE1 3.24Å
520	H	84.3	Confident	78.3	Confident	144 Å²	144	86 Å²	86	67%	0.667	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	3.4	179.4	-57.9	-56.1	0	0	0	115.3	R518	R518-H520 PolarHBondContact O-N 3.03Å
521	S	82.9	Confident	77.5	Confident	45 Å²	45	80.1 Å²	80.1	32%	0.315	40%	0.401	S	S	.	.			trans	-66	145.5	174.9	-170.2	0	0	0	0	111	K357 R518 L523	K357-S521 PolarHBondContact NZ-O 3.3Å; R518-S521 WeakPolarHBondContact O-CA 3.45Å; R518-S521 WeakPolarHBondContact O-CB 3.49Å; R518-S521 PolarHBondContact O-N 3.41Å; S521-L523 PolarHBondContact OG-N 2.99Å
522	K	73.4	Confident	76.6	Confident	197 Å²	197	82.1 Å²	82.1	86%	0.857	41%	0.411	S	S	*	.			trans	-99.5	-4.6	176.5	-66.9	-162.8	170.4	-145.3	0	114
523	L	63.3	Low	75.6	Confident	105 Å²	105	86.3 Å²	86.3	55%	0.55	43%	0.432	S	S	.	.			trans	-63.3	143.1	164.9	-69.6	170.1	0	0	0	108.3	S521 D525 F526	S521-L523 PolarHBondContact OG-N 2.99Å; L523-D525 WeakPolarHBondContact CB-OD1 3.49Å; L523-D525 WeakPolarHBondContact CB-OD2 3.45Å; L523-F526 VanDerWaalsContact O-CE2 3.29Å; L523-F526 WeakPolarHBondContact O-CE2 3.25Å
524	L	57.7	Low	74.5	Confident	152 Å²	152	81.8 Å²	81.8	80%	0.796	42%	0.421	S	S	*	.			trans	-87.8	-23.2	-175.4	-67.8	170.6	0	0	0	111.5	F526	L524-F526 PolarHBondContact O-N 3.41Å
525	D	60.3	Low	73.4	Confident	64 Å²	64	83.3 Å²	83.3	34%	0.342	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	69.5	177.2	28.9	-61.7	0	0	0	113.4	R518 L523	R518-D525 PolarHBondContact NH1-O 2.95Å; L523-D525 WeakPolarHBondContact CB-OD1 3.49Å; L523-D525 WeakPolarHBondContact CB-OD2 3.45Å
526	F	60.3	Low	72	Confident	3 Å²	3	88.7 Å²	88.7	1%	0.013	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-42	167.9	-80.2	-98.5	0	0	0	111.4	K357 Y360 R518 L523 L524 D528 V529 L530	K357-F526 HydrophobicContact CD-CD1 3.57Å; K357-F526 HydrophobicContact CD-CD2 4.14Å; K357-F526 HydrophobicContact CD-CE1 3.52Å; K357-F526 HydrophobicContact CD-CE2 4.11Å; K357-F526 HydrophobicContact CD-CG 3.9Å; K357-F526 HydrophobicContact CD-CZ 3.81Å; Y360-F526 HydrophobicContact CD1-CB 4.29Å; Y360-F526 HydrophobicContact CE1-CB 3.58Å; Y360-F526 HydrophobicContact CE2-CB 4.31Å; R518-F526 HydrophobicContact CB-CE1 3.53Å; R518-F526 HydrophobicContact CB-CZ 3.62Å; R518-F526 VanDerWaalsContact O-CZ 3.24Å; R518-F526 WeakPolarHBondContact O-CZ 3.29Å; L523-F526 VanDerWaalsContact O-CE2 3.29Å; L523-F526 WeakPolarHBondContact O-CE2 3.25Å; L524-F526 PolarHBondContact O-N 3.41Å; F526-D528 PolarHBondContact O-N 3.41Å; F526-V529 PolarHBondContact O-N 3.14Å; F526-L530 PolarHBondContact O-N 2.9Å
527	D	62.1	Low	70.5	Confident	119 Å²	119	91.3 Å²	91.3	64%	0.636	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-32.3	176.9	-53.1	-68.9	0	0	0	111.9	Y360 V529	Y360-D527 PolarHBondContact OH-OD1 2.92Å; Y360-D527 PolarHBondContact OH-OD2 2.82Å; D527-V529 PolarHBondContact O-N 2.86Å
528	D	61.6	Low	69	Low	138 Å²	138	91 Å²	91	74%	0.738	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-0.3	176.4	-59.2	-47.1	0	0	0	114.7	F526	F526-D528 PolarHBondContact O-N 3.41Å
529	V	61	Low	67.4	Low	51 Å²	51	92.3 Å²	92.3	31%	0.309	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.6	-7.3	-160.6	178.7	0	0	0	0	115.9	L514 F526 D527	L514-V529 HydrophobicContact CD1-CG1 4.45Å; L514-V529 HydrophobicContact CD2-CG1 4.03Å; F526-V529 PolarHBondContact O-N 3.14Å; D527-V529 PolarHBondContact O-N 2.86Å
530	L	55.9	Low	65.7	Low	66 Å²	66	98.5 Å²	98.5	35%	0.346	51%	0.506	S	S	.	.			trans	-126	0	-176.6	-70.2	178.7	0	0	0	114	Y360 I364 L514 F526	Y360-L530 HydrophobicContact CD1-CD1 3.93Å; Y360-L530 HydrophobicContact CG-CD1 4.27Å; I364-L530 HydrophobicContact CG2-CD1 4.43Å; I364-L530 HydrophobicContact CG2-CD2 3.99Å; L514-L530 HydrophobicContact CD2-CD2 4.08Å; L514-L530 HydrophobicContact CG-CD2 4.41Å; F526-L530 PolarHBondContact O-N 2.9Å

Retrieved 530 of 530 residues in 925.5 ms (Link to these results)

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