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Isoform 3 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 Q99NF2-3 (canonical: Q99NF2), Species MOUSE (Mus musculus, Mouse), Gene Nsmf, Length 509 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	52.7	Low	55	Low	235 Å²	235	114.1 Å²	114.1	100%	1.158	62%	0.621	S	S	*	*				0	-11.7	0	-75.9	-165.8	-89.2	0	0	116.2	A3	M1-A3 PolarHBondContact O-N 3.08Å
2	G	53.6	Low	55.1	Low	61 Å²	61	119.8 Å²	119.8	63%	0.629	63%	0.627	S	S	*	*	H	α-helix	trans	-64.4	-29.9	-169.5	0	0	0	0	0	118.3	A4 A5	G2-A4 VanDerWaalsContact C-N 3.31Å; G2-A4 PolarHBondContact O-N 3.18Å; G2-A5 PolarHBondContact O-N 3.09Å
3	A	53.3	Low	55.1	Low	64 Å²	64	117.1 Å²	117.1	53%	0.529	62%	0.624	S	S	.	*	H	α-helix	trans	-67	-24.5	-170.6	0	0	0	0	0	115.1	M1	M1-A3 PolarHBondContact O-N 3.08Å
4	A	52.6	Low	55.3	Low	63 Å²	63	118.1 Å²	118.1	52%	0.521	62%	0.624	S	S	.	*	H	α-helix	trans	-76.7	-34.7	179.4	0	0	0	0	0	112.7	G2 R8	G2-A4 VanDerWaalsContact C-N 3.31Å; G2-A4 PolarHBondContact O-N 3.18Å; A4-R8 PolarHBondContact O-N 3.4Å
5	A	55.2	Low	55.3	Low	45 Å²	45	113.9 Å²	113.9	37%	0.372	61%	0.612	S	S	.	*	H	α-helix	trans	-68.6	-38.5	178.9	0	0	0	0	0	112	G2 R8 R9	G2-A5 PolarHBondContact O-N 3.09Å; A5-R8 PolarHBondContact O-N 3.32Å; A5-R9 PolarHBondContact O-N 3.43Å; A5-R9 VanDerWaalsContact O-N 3.12Å
6	S	57.9	Low	55.9	Low	75 Å²	75	114.9 Å²	114.9	52%	0.524	61%	0.614	S	S	.	*	H	α-helix	trans	-61.8	-49.1	177.1	-177.8	0	0	0	0	112	R8 R9 A10	S6-R8 VanDerWaalsContact C-N 3.35Å; S6-R8 PolarHBondContact O-N 2.88Å; S6-R9 PolarHBondContact O-N 2.84Å; S6-R9 VanDerWaalsContact O-N 3.08Å; S6-A10 PolarHBondContact O-N 3.32Å
7	R	54	Low	56.7	Low	182 Å²	182	112.4 Å²	112.4	69%	0.687	61%	0.608	S	S	*	*	H	α-helix	trans	-61.9	-38.4	178.7	-61.8	-177	-150.8	-157.1	4.9	112.9	R9 A10 L11	R7-R9 VanDerWaalsContact C-N 3.34Å; R7-R9 PolarHBondContact O-N 3.44Å; R7-A10 PolarHBondContact O-N 2.86Å; R7-L11 WeakPolarHBondContact O-CG 3.29Å; R7-L11 PolarHBondContact O-N 3.41Å; R7-L11 VanDerWaalsContact O-N 3.09Å
8	R	54.8	Low	57.6	Low	182 Å²	182	109.6 Å²	109.6	69%	0.687	60%	0.598	S	S	*	*	H	α-helix	trans	-66.6	-32	174.9	-73.2	-173.6	-177.1	-175.3	2.2	112.9	A4 A5 S6 R12	A4-R8 PolarHBondContact O-N 3.4Å; A5-R8 PolarHBondContact O-N 3.32Å; S6-R8 VanDerWaalsContact C-N 3.35Å; S6-R8 PolarHBondContact O-N 2.88Å; R8-R12 WeakPolarHBondContact O-CG 3.24Å; R8-R12 PolarHBondContact O-N 3.05Å
9	R	56.1	Low	58.6	Low	180 Å²	180	108.1 Å²	108.1	68%	0.679	59%	0.592	S	S	*	*	H	α-helix	trans	-71.1	-46	173	-97.8	-177.8	-98.2	148.2	-10.6	111.9	A5 S6 R7 L11 R12 S13	A5-R9 PolarHBondContact O-N 3.43Å; A5-R9 VanDerWaalsContact O-N 3.12Å; S6-R9 PolarHBondContact O-N 2.84Å; S6-R9 VanDerWaalsContact O-N 3.08Å; R7-R9 VanDerWaalsContact C-N 3.34Å; R7-R9 PolarHBondContact O-N 3.44Å; R9-L11 PolarHBondContact O-N 3.37Å; R9-R12 PolarHBondContact O-N 3.17Å; R9-S13 PolarHBondContact O-N 2.69Å
10	A	57.8	Low	59.4	Low	56 Å²	56	104.7 Å²	104.7	46%	0.463	58%	0.579	S	S	.	*	H	α-helix	trans	-56.5	-51.8	177.2	0	0	0	0	0	112.1	S6 R7 R12 S13 E14	S6-A10 PolarHBondContact O-N 3.32Å; R7-A10 PolarHBondContact O-N 2.86Å; A10-R12 VanDerWaalsContact C-N 3.29Å; A10-R12 PolarHBondContact O-N 3.04Å; A10-S13 WeakPolarHBondContact O-CB 3.48Å; A10-S13 PolarHBondContact O-N 2.95Å; A10-S13 VanDerWaalsContact O-N 3.13Å; A10-E14 WeakPolarHBondContact O-CB 3.15Å; A10-E14 PolarHBondContact O-N 2.86Å
11	L	56.8	Low	60.2	Low	112 Å²	112	102.1 Å²	102.1	59%	0.586	57%	0.572	S	S	*	*	H	α-helix	trans	-61.3	-32.8	179.4	-70.6	171.7	0	0	0	113.5	R7 R9 A15	R7-L11 WeakPolarHBondContact O-CG 3.29Å; R7-L11 PolarHBondContact O-N 3.41Å; R7-L11 VanDerWaalsContact O-N 3.09Å; R9-L11 PolarHBondContact O-N 3.37Å; L11-A15 WeakPolarHBondContact O-CB 3.44Å; L11-A15 PolarHBondContact O-N 3.35Å; L11-A15 VanDerWaalsContact O-N 3.07Å
12	R	56.5	Low	61.4	Low	182 Å²	182	97.8 Å²	97.8	69%	0.687	55%	0.546	S	S	*	.	H	α-helix	trans	-71.8	-41.8	174.5	-79.2	177.1	172.1	155.6	-4.5	111.9	R8 R9 A10 A15 M16	R8-R12 WeakPolarHBondContact O-CG 3.24Å; R8-R12 PolarHBondContact O-N 3.05Å; R9-R12 PolarHBondContact O-N 3.17Å; A10-R12 VanDerWaalsContact C-N 3.29Å; A10-R12 PolarHBondContact O-N 3.04Å; R12-A15 PolarHBondContact O-N 2.9Å; R12-M16 WeakPolarHBondContact O-CB 3.5Å; R12-M16 WeakPolarHBondContact O-CG 3.31Å; R12-M16 PolarHBondContact O-N 3.1Å
13	S	55.7	Low	62.7	Low	85 Å²	85	99.3 Å²	99.3	59%	0.594	54%	0.544	S	S	*	.	H	α-helix	trans	-62.6	-43.6	175.4	-167.8	0	0	0	0	111.7	R9 A10 M16 S17	R9-S13 PolarHBondContact O-N 2.69Å; A10-S13 WeakPolarHBondContact O-CB 3.48Å; A10-S13 PolarHBondContact O-N 2.95Å; A10-S13 VanDerWaalsContact O-N 3.13Å; S13-M16 PolarHBondContact O-N 3.17Å; S13-S17 WeakPolarHBondContact O-CB 3.45Å; S13-S17 PolarHBondContact O-N 3.08Å
14	E	56.8	Low	63.9	Low	132 Å²	132	104.4 Å²	104.4	62%	0.617	55%	0.549	S	S	*	.	H	α-helix	trans	-65.2	-41.1	178.1	-166.9	178.1	-174.8	0	0	111.8	A10 S17 S18	A10-E14 WeakPolarHBondContact O-CB 3.15Å; A10-E14 PolarHBondContact O-N 2.86Å; E14-S17 PolarHBondContact O-N 3.47Å; E14-S18 WeakPolarHBondContact O-CB 3.47Å; E14-S18 PolarHBondContact O-N 3.48Å
15	A	56	Low	65.1	Low	55 Å²	55	104.3 Å²	104.3	46%	0.455	55%	0.549	S	S	.	.	H	α-helix	trans	-63.6	-44.7	173.4	0	0	0	0	0	112.7	L11 R12 S18 V19	L11-A15 WeakPolarHBondContact O-CB 3.44Å; L11-A15 PolarHBondContact O-N 3.35Å; L11-A15 VanDerWaalsContact O-N 3.07Å; R12-A15 PolarHBondContact O-N 2.9Å; A15-S18 PolarHBondContact O-N 3.02Å; A15-V19 WeakPolarHBondContact O-CG2 3.42Å; A15-V19 PolarHBondContact O-N 3.47Å
16	M	64.3	Low	66.1	Low	130 Å²	130	105.4 Å²	105.4	64%	0.64	56%	0.558	S	S	*	*	H	α-helix	trans	-63	-42.2	176.5	-66.9	-103.6	67.7	0	0	111.5	R12 S13 V19 A20	R12-M16 WeakPolarHBondContact O-CB 3.5Å; R12-M16 WeakPolarHBondContact O-CG 3.31Å; R12-M16 PolarHBondContact O-N 3.1Å; S13-M16 PolarHBondContact O-N 3.17Å; M16-V19 PolarHBondContact O-N 3.42Å; M16-A20 WeakPolarHBondContact O-CB 3.43Å; M16-A20 PolarHBondContact O-N 2.7Å
17	S	70.7	Confident	67.2	Low	72 Å²	72	110.3 Å²	110.3	50%	0.503	56%	0.564	S	S	.	*	H	α-helix	trans	-62.3	-42.8	175.1	-172.7	0	0	0	0	112	S13 E14 V19 A20 A21	S13-S17 WeakPolarHBondContact O-CB 3.45Å; S13-S17 PolarHBondContact O-N 3.08Å; E14-S17 PolarHBondContact O-N 3.47Å; S17-V19 PolarHBondContact O-N 2.84Å; S17-A20 PolarHBondContact O-N 2.88Å; S17-A21 WeakPolarHBondContact O-CB 3.36Å; S17-A21 PolarHBondContact O-N 3.35Å
18	S	71.7	Confident	68.2	Low	62 Å²	62	104.3 Å²	104.3	43%	0.434	55%	0.554	S	S	.	*	H	α-helix	trans	-62.4	-39.7	175.4	-173.1	0	0	0	0	112.8	E14 A15 K22	E14-S18 WeakPolarHBondContact O-CB 3.47Å; E14-S18 PolarHBondContact O-N 3.48Å; A15-S18 PolarHBondContact O-N 3.02Å; S18-K22 WeakPolarHBondContact O-CG 3.28Å; S18-K22 PolarHBondContact O-N 3.17Å; S18-K22 VanDerWaalsContact O-N 3.11Å
19	V	76.4	Confident	69.1	Low	80 Å²	80	102 Å²	102	49%	0.485	55%	0.549	S	S	.	.	H	α-helix	trans	-67.1	-46.7	174.3	172.9	0	0	0	0	110.7	A15 M16 S17 A21 K22 V23	A15-V19 WeakPolarHBondContact O-CG2 3.42Å; A15-V19 PolarHBondContact O-N 3.47Å; M16-V19 PolarHBondContact O-N 3.42Å; S17-V19 PolarHBondContact O-N 2.84Å; V19-A21 VanDerWaalsContact C-N 3.31Å; V19-A21 PolarHBondContact O-N 2.59Å; V19-K22 PolarHBondContact O-N 3.05Å; V19-K22 VanDerWaalsContact O-N 3.13Å; V19-V23 HydrophobicContact CG1-CG2 4.32Å; V19-V23 WeakPolarHBondContact O-CG2 3.36Å; V19-V23 PolarHBondContact O-N 2.8Å
20	A	75.7	Confident	70.1	Confident	41 Å²	41	95.1 Å²	95.1	34%	0.339	54%	0.535	S	S	.	.	H	α-helix	trans	-61.5	-37.1	177.8	0	0	0	0	0	112.8	M16 S17 R24	M16-A20 WeakPolarHBondContact O-CB 3.43Å; M16-A20 PolarHBondContact O-N 2.7Å; S17-A20 PolarHBondContact O-N 2.88Å; A20-R24 WeakPolarHBondContact O-CB 3.44Å; A20-R24 PolarHBondContact O-N 3.15Å
21	A	76.3	Confident	70.7	Confident	51 Å²	51	96.5 Å²	96.5	42%	0.421	53%	0.532	S	S	.	.	H	α-helix	trans	-64	-43	173	0	0	0	0	0	112	S17 V19 R24 A25	S17-A21 WeakPolarHBondContact O-CB 3.36Å; S17-A21 PolarHBondContact O-N 3.35Å; V19-A21 VanDerWaalsContact C-N 3.31Å; V19-A21 PolarHBondContact O-N 2.59Å; A21-R24 PolarHBondContact O-N 3.17Å; A21-A25 WeakPolarHBondContact O-CB 3.47Å; A21-A25 PolarHBondContact O-N 3.5Å
22	K	77.9	Confident	71.4	Confident	143 Å²	143	98.5 Å²	98.5	62%	0.622	53%	0.533	S	S	*	.	H	α-helix	trans	-66.1	-40.7	175.8	-74.1	177.4	177.3	-169.3	0	113.1	S18 V19 A25 A26	S18-K22 WeakPolarHBondContact O-CG 3.28Å; S18-K22 PolarHBondContact O-N 3.17Å; S18-K22 VanDerWaalsContact O-N 3.11Å; V19-K22 PolarHBondContact O-N 3.05Å; V19-K22 VanDerWaalsContact O-N 3.13Å; K22-A25 PolarHBondContact O-N 3.17Å; K22-A26 WeakPolarHBondContact O-CB 3.24Å; K22-A26 PolarHBondContact O-N 2.82Å
23	V	81.1	Confident	72	Confident	94 Å²	94	94 Å²	94	57%	0.57	52%	0.522	S	S	*	.	H	α-helix	trans	-64.1	-41.9	175.8	172.4	0	0	0	0	110.6	V19 A26 R27	V19-V23 HydrophobicContact CG1-CG2 4.32Å; V19-V23 WeakPolarHBondContact O-CG2 3.36Å; V19-V23 PolarHBondContact O-N 2.8Å; V23-A26 PolarHBondContact O-N 3.38Å; V23-R27 WeakPolarHBondContact O-CB 3.43Å; V23-R27 PolarHBondContact O-N 2.96Å
24	R	78.5	Confident	72.5	Confident	170 Å²	170	93.8 Å²	93.8	64%	0.642	52%	0.52	S	S	*	.	H	α-helix	trans	-63	-42.9	172.6	-80.8	-173.8	-74.4	-124.4	0.5	112.9	A20 A21 R27 A28	A20-R24 WeakPolarHBondContact O-CB 3.44Å; A20-R24 PolarHBondContact O-N 3.15Å; A21-R24 PolarHBondContact O-N 3.17Å; R24-R27 PolarHBondContact O-N 3.47Å; R24-A28 WeakPolarHBondContact O-CB 3.25Å; R24-A28 PolarHBondContact O-N 2.98Å
25	A	76.8	Confident	72.7	Confident	62 Å²	62	94.7 Å²	94.7	51%	0.512	52%	0.524	S	S	.	.	H	α-helix	trans	-64.4	-42.1	177.1	0	0	0	0	0	112.4	A21 K22 A28 F29	A21-A25 WeakPolarHBondContact O-CB 3.47Å; A21-A25 PolarHBondContact O-N 3.5Å; K22-A25 PolarHBondContact O-N 3.17Å; A25-A28 PolarHBondContact O-N 3.38Å; A25-F29 WeakPolarHBondContact O-CB 3.23Å; A25-F29 PolarHBondContact O-N 3.23Å
26	A	77.3	Confident	72.4	Confident	68 Å²	68	94.9 Å²	94.9	56%	0.562	52%	0.522	S	S	*	.	H	α-helix	trans	-64	-39.8	175.3	0	0	0	0	0	112	K22 V23 F29 G30	K22-A26 WeakPolarHBondContact O-CB 3.24Å; K22-A26 PolarHBondContact O-N 2.82Å; V23-A26 PolarHBondContact O-N 3.38Å; A26-F29 PolarHBondContact O-N 2.89Å; A26-G30 PolarHBondContact O-N 3.38Å
27	R	79.6	Confident	71.4	Confident	177 Å²	177	94.9 Å²	94.9	67%	0.668	52%	0.52	S	S	*	.	H	α-helix	trans	-63.9	-49.3	174.9	-170.8	-179.4	-169.7	134.5	8.2	111.9	V23 R24 F29 G30 E31	V23-R27 WeakPolarHBondContact O-CB 3.43Å; V23-R27 PolarHBondContact O-N 2.96Å; R24-R27 PolarHBondContact O-N 3.47Å; R27-F29 VanDerWaalsContact C-N 3.27Å; R27-F29 PolarHBondContact O-N 3.47Å; R27-G30 PolarHBondContact O-N 3.49Å; R27-G30 VanDerWaalsContact O-N 3.15Å; R27-E31 WeakPolarHBondContact CG-OE1 2.98Å; R27-E31 IonicContact NE-OE1 2.66Å; R27-E31 PolarHBondContact NE-OE1 3.4Å; R27-E31 VanDerWaalsContact NE-OE1 3.12Å; R27-E31 WeakPolarHBondContact O-CG 2.89Å; R27-E31 PolarHBondContact O-N 2.75Å
28	A	76.4	Confident	70.2	Confident	57 Å²	57	96.6 Å²	96.6	47%	0.471	53%	0.53	S	S	.	.	H	α-helix	trans	-61.5	-35.1	177.1	0	0	0	0	0	112.4	R24 A25 Y32	R24-A28 WeakPolarHBondContact O-CB 3.25Å; R24-A28 PolarHBondContact O-N 2.98Å; A25-A28 PolarHBondContact O-N 3.38Å; A28-Y32 WeakPolarHBondContact O-CB 3.42Å; A28-Y32 PolarHBondContact O-N 2.66Å
29	F	73.2	Confident	68.9	Low	132 Å²	132	102.4 Å²	102.4	58%	0.579	55%	0.55	S	S	*	*	H	α-helix	trans	-69	-40.6	174.2	-169	-102.9	0	0	0	112.3	A25 A26 R27 Y32 L33	A25-F29 WeakPolarHBondContact O-CB 3.23Å; A25-F29 PolarHBondContact O-N 3.23Å; A26-F29 PolarHBondContact O-N 2.89Å; R27-F29 VanDerWaalsContact C-N 3.27Å; R27-F29 PolarHBondContact O-N 3.47Å; F29-Y32 PolarHBondContact O-N 2.98Å; F29-L33 HydrophobicContact CD1-CD1 3.94Å; F29-L33 HydrophobicContact CD1-CG 4.45Å; F29-L33 HydrophobicContact CE1-CD1 3.64Å; F29-L33 HydrophobicContact CE1-CG 4.23Å; F29-L33 HydrophobicContact CZ-CD1 4.36Å; F29-L33 WeakPolarHBondContact O-CG 3.33Å; F29-L33 PolarHBondContact O-N 3.25Å
30	G	76.2	Confident	67.1	Low	37 Å²	37	105.4 Å²	105.4	38%	0.381	56%	0.564	S	S	.	*	H	α-helix	trans	-62.8	-43.5	171.8	0	0	0	0	0	112.8	A26 R27 Y32 L33 S34	A26-G30 PolarHBondContact O-N 3.38Å; R27-G30 PolarHBondContact O-N 3.49Å; R27-G30 VanDerWaalsContact O-N 3.15Å; G30-Y32 PolarHBondContact O-N 2.88Å; G30-L33 PolarHBondContact O-N 2.89Å; G30-S34 PolarHBondContact O-N 3.42Å
31	E	70	Confident	65.4	Low	85 Å²	85	113.9 Å²	113.9	40%	0.397	59%	0.587	S	S	.	*	H	α-helix	trans	-62.8	-40.8	175.1	-74	166.9	-170.1	0	0	111.1	R27 S34 Q35	R27-E31 WeakPolarHBondContact CG-OE1 2.98Å; R27-E31 IonicContact NE-OE1 2.66Å; R27-E31 PolarHBondContact NE-OE1 3.4Å; R27-E31 VanDerWaalsContact NE-OE1 3.12Å; R27-E31 WeakPolarHBondContact O-CG 2.89Å; R27-E31 PolarHBondContact O-N 2.75Å; E31-S34 WeakPolarHBondContact CA-OG 3.48Å; E31-S34 PolarHBondContact O-N 3.36Å; E31-S34 PolarHBondContact O-OG 3.05Å; E31-Q35 WeakPolarHBondContact O-CG 3.46Å; E31-Q35 PolarHBondContact O-N 3.14Å
32	Y	73.4	Confident	63.7	Low	154 Å²	154	119 Å²	119	60%	0.604	61%	0.607	S	S	*	*	H	α-helix	trans	-62.5	-42.5	173.7	179.8	-101.2	0	0	0	113.2	A28 F29 G30 S34 Q35 S36	A28-Y32 WeakPolarHBondContact O-CB 3.42Å; A28-Y32 PolarHBondContact O-N 2.66Å; F29-Y32 PolarHBondContact O-N 2.98Å; G30-Y32 PolarHBondContact O-N 2.88Å; Y32-S34 VanDerWaalsContact C-N 3.32Å; Y32-S34 PolarHBondContact O-N 3.08Å; Y32-Q35 PolarHBondContact O-N 3.19Å; Y32-S36 PolarHBondContact O-N 2.99Å; Y32-S36 VanDerWaalsContact O-N 3.09Å; Y32-S36 PolarHBondContact O-OG 2.89Å
33	L	68.9	Low	61.8	Low	88 Å²	88	116.1 Å²	116.1	46%	0.461	62%	0.617	S	S	.	*	H	α-helix	trans	-64.7	-34.6	173.9	-70	175.9	0	0	0	112.4	F29 G30 S36	F29-L33 HydrophobicContact CD1-CD1 3.94Å; F29-L33 HydrophobicContact CD1-CG 4.45Å; F29-L33 HydrophobicContact CE1-CD1 3.64Å; F29-L33 HydrophobicContact CE1-CG 4.23Å; F29-L33 HydrophobicContact CZ-CD1 4.36Å; F29-L33 WeakPolarHBondContact O-CG 3.33Å; F29-L33 PolarHBondContact O-N 3.25Å; G30-L33 PolarHBondContact O-N 2.89Å; L33-S36 WeakPolarHBondContact CA-OG 3.18Å; L33-S36 PolarHBondContact O-OG 2.83Å
34	S	66.4	Low	59.7	Low	80 Å²	80	115.7 Å²	115.7	56%	0.559	62%	0.624	S	S	*	*	H	α-helix	trans	-72.1	-28.2	175	75.1	0	0	0	0	113.8	G30 E31 Y32	G30-S34 PolarHBondContact O-N 3.42Å; E31-S34 WeakPolarHBondContact CA-OG 3.48Å; E31-S34 PolarHBondContact O-N 3.36Å; E31-S34 PolarHBondContact O-OG 3.05Å; Y32-S34 VanDerWaalsContact C-N 3.32Å; Y32-S34 PolarHBondContact O-N 3.08Å
35	Q	60.3	Low	57.6	Low	150 Å²	150	114.6 Å²	114.6	70%	0.701	63%	0.631	S	S	*	*	H	α-helix	trans	-85	-22.9	179.3	-72.3	173.7	36.3	0	0	113	E31 Y32 H37	E31-Q35 WeakPolarHBondContact O-CG 3.46Å; E31-Q35 PolarHBondContact O-N 3.14Å; Y32-Q35 PolarHBondContact O-N 3.19Å; Q35-H37 VanDerWaalsContact C-N 3.33Å
36	S	48.7	Very low	55.7	Low	60 Å²	60	119.8 Å²	119.8	42%	0.42	64%	0.644	S	S	.	*	S	Bend	trans	-83.6	-4.2	178.9	40.5	0	0	0	0	114.3	Y32 L33	Y32-S36 PolarHBondContact O-N 2.99Å; Y32-S36 VanDerWaalsContact O-N 3.09Å; Y32-S36 PolarHBondContact O-OG 2.89Å; L33-S36 WeakPolarHBondContact CA-OG 3.18Å; L33-S36 PolarHBondContact O-OG 2.83Å
37	H	43.5	Very low	53.9	Low	129 Å²	129	124.2 Å²	124.2	60%	0.597	66%	0.658	S	S	*	*			trans	-124.1	86.6	172.2	-77.3	-73.4	0	0	0	111.6	Q35 E39	Q35-H37 VanDerWaalsContact C-N 3.33Å; H37-E39 PolarHBondContact O-N 2.99Å; H37-E39 VanDerWaalsContact O-N 3.14Å
38	P	46.8	Very low	51.9	Low	108 Å²	108	124.5 Å²	124.5	70%	0.701	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-10.9	177.8	27	-34.2	0	0	0	114.2
39	E	43.5	Very low	49.9	Very low	185 Å²	185	125.3 Å²	125.3	86%	0.864	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-0.1	-172	-61.9	-174.1	130.8	0	0	115.1	H37	H37-E39 PolarHBondContact O-N 2.99Å; H37-E39 VanDerWaalsContact O-N 3.14Å
40	N	39.1	Very low	48.1	Very low	143 Å²	143	126.6 Å²	126.6	77%	0.765	69%	0.691	S	S	*	*			trans	-113.3	30.1	-178	-143	-6.9	0	0	0	113.4	N42	N40-N42 VanDerWaalsContact C-N 3.33Å; N40-N42 PolarHBondContact O-N 3.41Å
41	R	40.2	Very low	46.1	Very low	219 Å²	219	128.7 Å²	128.7	83%	0.826	71%	0.705	S	S	*	*			trans	-89.8	11.4	-174.3	-133.4	176.2	-174.7	175.7	1.4	115
42	N	39.1	Very low	44.3	Very low	159 Å²	159	135.1 Å²	135.1	85%	0.85	73%	0.727	S	S	*	*	S	Bend	trans	-127	92.1	-179.7	-68.3	-23.8	0	0	0	109.8	N40	N40-N42 VanDerWaalsContact C-N 3.33Å; N40-N42 PolarHBondContact O-N 3.41Å
43	G	39.4	Very low	42.7	Very low	81 Å²	81	133.8 Å²	133.8	84%	0.835	74%	0.74	S	S	*	*	S	Bend	trans	155.8	-4.7	168.5	0	0	0	0	0	119.9
44	A	35.5	Very low	41.1	Very low	86 Å²	86	133.5 Å²	133.5	71%	0.711	76%	0.759	S	S	*	*	S	Bend	trans	-118.5	-17.3	-172.6	0	0	0	0	0	116.4
45	D	34.9	Very low	39.9	Very low	146 Å²	146	138.7 Å²	138.7	78%	0.781	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	11.7	-168.6	-71.8	-53.1	0	0	0	115.8
46	H	37.3	Very low	38.7	Very low	171 Å²	171	139 Å²	139	79%	0.792	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.1	17.9	-175.4	-82.1	-60.9	0	0	0	115.9
47	L	40.4	Very low	38.3	Very low	162 Å²	162	139.8 Å²	139.8	85%	0.848	80%	0.797	S	S	*	*	S	Bend	trans	-121.6	15.2	-177.1	-68.2	177.6	0	0	0	115.6
48	L	37.7	Very low	38.3	Very low	183 Å²	183	139.7 Å²	139.7	96%	0.958	81%	0.811	S	S	*	*	S	Bend	trans	-140.2	28.7	179.5	-73.1	177.2	0	0	0	114.5
49	A	33.3	Very low	38.3	Very low	74 Å²	74	140 Å²	140	61%	0.612	81%	0.813	S	S	*	*	S	Bend	trans	-121.8	-27.1	-176.6	0	0	0	0	0	116	A51	A49-A51 PolarHBondContact O-N 3.1Å
50	D	35	Very low	38.2	Very low	159 Å²	159	140.8 Å²	140.8	85%	0.85	82%	0.817	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	54.8	-168.3	-64.9	-41.7	0	0	0	114.4
51	A	35.1	Very low	38.2	Very low	81 Å²	81	141.8 Å²	141.8	67%	0.669	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.8	3.6	179.7	0	0	0	0	0	115.9	A49	A49-A51 PolarHBondContact O-N 3.1Å
52	Y	32.8	Very low	38.2	Very low	220 Å²	220	139.3 Å²	139.3	86%	0.863	82%	0.817	S	S	*	*			trans	-135.8	73.2	-177.6	-67.9	-76.8	0	0	0	112.1
53	S	39.8	Very low	38.1	Very low	126 Å²	126	137 Å²	137	88%	0.881	81%	0.811	S	S	*	*			trans	-157.5	103.6	168.9	-79.1	0	0	0	0	112.2
54	G	34.9	Very low	38	Very low	82 Å²	82	137.9 Å²	137.9	85%	0.845	81%	0.81	S	S	*	*			trans	67.7	112.5	155.9	0	0	0	0	0	119.1
55	H	40.2	Very low	38.2	Very low	189 Å²	189	139.9 Å²	139.9	88%	0.875	82%	0.815	S	S	*	*				169.2	129.3	101.2	-162	-54.9	0	0	0	110.3
56	D	36.2	Very low	38.3	Very low	157 Å²	157	141.5 Å²	141.5	84%	0.84	82%	0.818	S	S	*	*			trans	-65.4	135.4	171.9	-86.7	-68.1	0	0	0	112.4
57	G	39.5	Very low	38.4	Very low	75 Å²	75	141.4 Å²	141.4	77%	0.773	82%	0.823	S	S	*	*			trans	177.1	102.1	176.2	0	0	0	0	0	113.6
58	S	43.5	Very low	38.2	Very low	127 Å²	127	142.4 Å²	142.4	89%	0.888	82%	0.821	S	S	*	*			trans	-80.5	172.3	-175.2	-104.9	0	0	0	0	114.5
59	P	45.9	Very low	38.4	Very low	115 Å²	115	145.3 Å²	145.3	75%	0.747	82%	0.819	S	S	*	*			trans	-119.6	177.8	-136.9	44.2	-37	0	0	0	115.9
60	E	41.7	Very low	38.7	Very low	201 Å²	201	153.3 Å²	153.3	94%	0.939	83%	0.834	S	S	*	*			trans	-147	163.8	155.6	-144.9	168	127.5	0	0	115.3
61	M	39.8	Very low	38.4	Very low	164 Å²	164	153.9 Å²	153.9	81%	0.808	84%	0.836	S	S	*	*			trans	-76.5	137	-163.9	-85.6	-171.1	177.2	0	0	116
62	Q	39.4	Very low	38.6	Very low	168 Å²	168	155.6 Å²	155.6	79%	0.785	84%	0.843	S	S	*	*				93.2	173.2	84.9	-131.5	-160.2	47	0	0	113
63	P	38.2	Very low	38.7	Very low	111 Å²	111	153.5 Å²	153.5	72%	0.721	85%	0.846	S	S	*	*				-119.8	174.7	-103.1	41.3	-27.6	0	0	0	116.9
64	A	37.2	Very low	38.6	Very low	99 Å²	99	153.9 Å²	153.9	82%	0.818	84%	0.843	S	S	*	*			trans	-83.8	158.5	-176.1	0	0	0	0	0	115.8
65	P	39	Very low	38.8	Very low	128 Å²	128	155.1 Å²	155.1	83%	0.831	84%	0.838	S	S	*	*			trans	-111.3	157.9	157.1	36.5	-27.4	0	0	0	113.8
66	Q	36.7	Very low	38.7	Very low	180 Å²	180	154.2 Å²	154.2	84%	0.841	84%	0.84	S	S	*	*			trans	-85.8	157.7	-170.7	-56	162.1	-11	0	0	112.9
67	N	39.9	Very low	38.9	Very low	168 Å²	168	150.5 Å²	150.5	90%	0.898	84%	0.838	S	S	*	*			trans	-164.8	159.3	135.2	-105.8	-46.4	0	0	0	115.5
68	K	37.2	Very low	38.8	Very low	184 Å²	184	157.1 Å²	157.1	80%	0.8	84%	0.84	S	S	*	*			trans	-98.5	144.7	-161.4	-55.1	160.6	-179.1	171.4	0	113.8
69	R	41.6	Very low	38.4	Very low	244 Å²	244	162.3 Å²	162.3	92%	0.921	84%	0.842	S	S	*	*			trans	-174.3	112	147	-100.1	152.3	-167.9	-157.1	3.9	109.7
70	R	39.6	Very low	37.9	Very low	241 Å²	241	164.3 Å²	164.3	91%	0.909	84%	0.841	S	S	*	*				77	118.9	97	-106.9	-170.3	88.9	-173.8	7.9	114.9
71	L	28.7	Very low	37.9	Very low	171 Å²	171	158.6 Å²	158.6	90%	0.895	84%	0.836	S	S	*	*			trans	-74.7	154.5	173.5	-73	158.9	0	0	0	112.7
72	S	39.2	Very low	37.6	Very low	117 Å²	117	156.2 Å²	156.2	82%	0.818	84%	0.836	S	S	*	*			trans	-147.3	141.7	161.9	54.4	0	0	0	0	110.5
73	L	33.7	Very low	37.5	Very low	176 Å²	176	156.1 Å²	156.1	92%	0.921	84%	0.838	S	S	*	*			trans	-114.6	113.9	-170.7	-176.4	102.6	0	0	0	110.8
74	V	38.4	Very low	37.6	Very low	135 Å²	135	156 Å²	156	82%	0.818	84%	0.841	S	S	*	*			trans	-159.6	136.3	-179.6	-179	0	0	0	0	106.7
75	S	38.8	Very low	37.5	Very low	108 Å²	108	159.1 Å²	159.1	76%	0.755	84%	0.843	S	S	*	*			cis	-156.1	171.4	-10.4	50.2	0	0	0	0	110.3
76	N	37.9	Very low	37.4	Very low	170 Å²	170	162.6 Å²	162.6	91%	0.909	85%	0.848	S	S	*	*			trans	-66.4	147.6	177.5	-65.7	-24.7	0	0	0	114.3
77	G	41.8	Very low	37.4	Very low	78 Å²	78	158.2 Å²	158.2	80%	0.804	84%	0.843	S	S	*	*			trans	-127.6	122.3	161.2	0	0	0	0	0	110.1
78	R	36.9	Very low	37.2	Very low	215 Å²	215	157.3 Å²	157.3	81%	0.811	84%	0.843	S	S	*	*			trans	-81.2	150.7	176.9	-61.4	-176.1	-175.9	-163.8	2.5	110.7
79	Y	35.3	Very low	37	Very low	236 Å²	236	154.2 Å²	154.2	93%	0.925	85%	0.845	S	S	*	*			trans	-140	121.3	152.2	-125.4	-91.3	0	0	0	108.8
80	E	34.7	Very low	36.5	Very low	157 Å²	157	145.7 Å²	145.7	73%	0.734	83%	0.833	S	S	*	*			trans	-94.9	149.9	174.5	-74.2	171.5	169.8	0	0	109.8
81	G	43.2	Very low	36.1	Very low	80 Å²	80	143.5 Å²	143.5	83%	0.825	83%	0.83	S	S	*	*			trans	-162.6	78.2	177.4	0	0	0	0	0	110.4
82	S	32	Very low	36.5	Very low	115 Å²	115	142 Å²	142	80%	0.804	83%	0.831	S	S	*	*			trans	-87.9	141.6	179.1	-62.9	0	0	0	0	111.8
83	I	38.3	Very low	36.2	Very low	165 Å²	165	140 Å²	140	85%	0.846	82%	0.821	S	S	*	*			trans	-149.4	116.6	149.1	28.2	172.8	0	0	0	111.7
84	S	39.5	Very low	36.2	Very low	110 Å²	110	139.5 Å²	139.5	77%	0.769	82%	0.818	S	S	*	*			trans	53	107.9	151	58.3	0	0	0	0	121.6
85	D	34.8	Very low	35.7	Very low	163 Å²	163	141.8 Å²	141.8	87%	0.872	82%	0.82	S	S	*	*			trans	-61.4	149.2	141	-83	-69.1	0	0	0	112.1
86	E	37.8	Very low	35.4	Very low	201 Å²	201	139.8 Å²	139.8	94%	0.939	82%	0.816	S	S	*	*				-149.9	157.6	124.2	-128.3	-160.2	136.8	0	0	111.5
87	A	35.4	Very low	35.4	Very low	89 Å²	89	137.7 Å²	137.7	74%	0.736	81%	0.812	S	S	*	*			trans	-100.2	146.5	-156.1	0	0	0	0	0	115.5
88	V	36.3	Very low	35.2	Very low	148 Å²	148	141.7 Å²	141.7	90%	0.897	81%	0.809	S	S	*	*			trans	-138.3	130.9	138.8	172.8	0	0	0	0	109.2
89	S	32.5	Very low	35.3	Very low	120 Å²	120	135.7 Å²	135.7	84%	0.839	80%	0.798	S	S	*	*			trans	-93	144.6	-176.6	122.7	0	0	0	0	112.4
90	G	32.4	Very low	36.1	Very low	65 Å²	65	130.4 Å²	130.4	67%	0.67	78%	0.782	S	S	*	*			trans	159	94.7	155.6	0	0	0	0	0	117.8
91	K	31	Very low	36.7	Very low	194 Å²	194	126 Å²	126	84%	0.843	77%	0.766	S	S	*	*			trans	39.1	119	154.5	-67.4	178.8	175.1	178.4	0	119.7
92	P	36.4	Very low	37.2	Very low	140 Å²	140	127 Å²	127	91%	0.909	75%	0.745	S	S	*	*			trans	-75.5	132.2	144.3	32.9	-28.8	0	0	0	109.1
93	A	32.4	Very low	38.8	Very low	75 Å²	75	126 Å²	126	62%	0.62	73%	0.734	S	S	*	*			trans	-127	139.5	176	0	0	0	0	0	110.3
94	I	33.5	Very low	40	Very low	166 Å²	166	119 Å²	119	85%	0.851	70%	0.698	S	S	*	*			trans	78.5	124.1	156.7	-59.4	154.1	0	0	0	116.7
95	E	29.1	Very low	40.9	Very low	183 Å²	183	117 Å²	117	86%	0.855	68%	0.684	S	S	*	*			trans	-44.1	136	168.3	-72.6	159.9	113.8	0	0	113.9
96	G	31.4	Very low	41.4	Very low	65 Å²	65	118.1 Å²	118.1	67%	0.67	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-71.5	147.9	165.1	0	0	0	0	0	111.3	Q98	G96-Q98 PolarHBondContact O-N 3.23Å
97	P	39.6	Very low	41.4	Very low	127 Å²	127	117 Å²	117	83%	0.825	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-67.4	132.2	-174.7	25.9	-32.5	0	0	0	111.8
98	Q	36	Very low	41.6	Very low	161 Å²	161	117.8 Å²	117.8	75%	0.752	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-60.2	143.7	172.4	-77.8	-170.8	-12.8	0	0	111.2	G96 H100	G96-Q98 PolarHBondContact O-N 3.23Å; Q98-H100 PolarHBondContact O-N 3Å; Q98-H100 PolarHBondContact O-ND1 3.22Å
99	P	40.5	Very low	41.5	Very low	89 Å²	89	115.2 Å²	115.2	58%	0.578	66%	0.663	S	S	*	*			trans	-67.5	103	173.6	28.4	-33.4	0	0	0	109.7	V101	P99-V101 PolarHBondContact O-N 3.14Å
100	H	51	Low	41.6	Very low	125 Å²	125	117.4 Å²	117.4	58%	0.579	67%	0.665	S	S	*	*			trans	-72.8	110.5	178.7	-72.4	60.7	0	0	0	109.8	Q98 Y102	Q98-H100 PolarHBondContact O-N 3Å; Q98-H100 PolarHBondContact O-ND1 3.22Å; H100-Y102 HydrophobicContact CB-CD2 4.22Å; H100-Y102 HydrophobicContact CB-CE2 3.4Å; H100-Y102 VanDerWaalsContact CB-CE2 3.4Å; H100-Y102 WeakPolarHBondContact O-CD2 3.18Å; H100-Y102 VanDerWaalsContact O-CE2 3.25Å; H100-Y102 WeakPolarHBondContact O-CE2 3.45Å
101	V	48.1	Very low	41.7	Very low	66 Å²	66	121.8 Å²	121.8	40%	0.4	67%	0.672	S	S	.	*			trans	-86.5	131.4	172.5	-171	0	0	0	0	108.6	P99 P341 L355	P99-V101 PolarHBondContact O-N 3.14Å; V101-P341 HydrophobicContact CB-CG 4.3Å; V101-P341 HydrophobicContact CG1-CG 3.84Å; V101-P341 HydrophobicContact CG2-CB 3.49Å; V101-P341 VanDerWaalsContact CG2-CB 3.49Å; V101-P341 HydrophobicContact CG2-CG 3.52Å; V101-L355 HydrophobicContact CG1-CB 4.45Å; V101-L355 HydrophobicContact CG1-CD2 4.15Å
102	Y	54.1	Low	41.7	Very low	100 Å²	100	118.7 Å²	118.7	39%	0.392	67%	0.672	S	S	.	*			trans	-118.7	118.8	178.8	-62	-108.1	0	0	0	107.5	H100 L355	H100-Y102 HydrophobicContact CB-CD2 4.22Å; H100-Y102 HydrophobicContact CB-CE2 3.4Å; H100-Y102 VanDerWaalsContact CB-CE2 3.4Å; H100-Y102 WeakPolarHBondContact O-CD2 3.18Å; H100-Y102 VanDerWaalsContact O-CE2 3.25Å; H100-Y102 WeakPolarHBondContact O-CE2 3.45Å; Y102-L355 PolarHBondContact O-N 2.98Å
103	T	65	Low	41.6	Very low	93 Å²	93	115.6 Å²	115.6	57%	0.571	67%	0.665	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.9	118	179.1	-39	0	0	0	0	108.3	S105 L355	T103-S105 PolarHBondContact O-N 3.33Å; T103-L355 WeakPolarHBondContact CA-O 3.19Å; T103-L355 HydrophobicContact CG2-CD2 4.36Å; T103-L355 HydrophobicContact CG2-CG 4.49Å
104	I	63.4	Low	41.5	Very low	18 Å²	18	117.7 Å²	117.7	9%	0.092	68%	0.675	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.4	95.2	172.8	-51.9	177	0	0	0	108.2	I354 L355 D357 A361 D365 I366 E369	I104-I354 HydrophobicContact CD1-CG2 3.84Å; I104-I354 HydrophobicContact CG1-CG2 4.48Å; I104-L355 PolarHBondContact N-O 2.91Å; I104-D357 VanDerWaalsContact O-CB 3.23Å; I104-D357 WeakPolarHBondContact O-CB 3.5Å; I104-D357 PolarHBondContact O-N 2.96Å; I104-A361 HydrophobicContact CG2-CB 4.14Å; I104-D365 HydrophobicContact CG2-CB 3.88Å; I104-I366 HydrophobicContact CD1-CG1 4.41Å; I104-E369 HydrophobicContact CD1-CB 3.69Å; I104-E369 HydrophobicContact CD1-CG 3.92Å; I104-E369 HydrophobicContact CG1-CB 4.31Å; I104-E369 HydrophobicContact CG1-CG 4.13Å
105	S	57.6	Low	41.5	Very low	68 Å²	68	119 Å²	119	48%	0.476	68%	0.677	S	S	.	*			trans	-141.8	130.1	168.8	-168	0	0	0	0	109.9	T103	T103-S105 PolarHBondContact O-N 3.33Å
106	R	45.8	Very low	41.8	Very low	187 Å²	187	114.3 Å²	114.3	71%	0.706	67%	0.67	S	S	*	*			trans	-92.7	100.3	176.4	-69.2	-173.5	-176.5	-147.8	0.5	109.3	D365	R106-D365 IonicContact CZ-OD1 2.66Å; R106-D365 IonicContact NE-OD1 2.74Å; R106-D365 PolarHBondContact NE-OD1 2.94Å; R106-D365 IonicContact NH2-OD1 2.78Å; R106-D365 PolarHBondContact NH2-OD1 2.82Å
107	E	37.8	Very low	41.9	Very low	179 Å²	179	120.1 Å²	120.1	84%	0.836	68%	0.68	S	S	*	*			trans	-106.2	126.2	161	-167.4	171.5	-141.1	0	0	109	A109	E107-A109 PolarHBondContact O-N 3.25Å
108	P	40.5	Very low	41.6	Very low	104 Å²	104	118.6 Å²	118.6	68%	0.675	68%	0.678	S	S	*	*			trans	-74.3	121.9	176.1	29.6	-31.9	0	0	0	109.7	L110	P108-L110 PolarHBondContact O-N 3.02Å
109	A	34.3	Very low	41.6	Very low	95 Å²	95	118.9 Å²	118.9	79%	0.785	68%	0.683	S	S	*	*			trans	-65.4	93.1	179.1	0	0	0	0	0	111.9	E107 L111	E107-A109 PolarHBondContact O-N 3.25Å; A109-L111 VanDerWaalsContact C-N 3.31Å; A109-L111 PolarHBondContact O-N 3.25Å; A109-L111 VanDerWaalsContact O-N 3.09Å
110	L	33.7	Very low	41.2	Very low	166 Å²	166	123.1 Å²	123.1	87%	0.869	70%	0.695	S	S	*	*			trans	-78	82.1	165.3	-70.7	175.6	0	0	0	109.4	P108	P108-L110 PolarHBondContact O-N 3.02Å
111	L	34.2	Very low	40.3	Very low	156 Å²	156	125.6 Å²	125.6	82%	0.817	71%	0.711	S	S	*	*			trans	-69.9	134.7	165.9	-69.6	175.8	0	0	0	110	A109	A109-L111 VanDerWaalsContact C-N 3.31Å; A109-L111 PolarHBondContact O-N 3.25Å; A109-L111 VanDerWaalsContact O-N 3.09Å
112	P	32.3	Very low	39.7	Very low	130 Å²	130	126.1 Å²	126.1	84%	0.844	72%	0.722	S	S	*	*			trans	-78.8	129.6	172.1	31.6	-32.1	0	0	0	110.5
113	G	32.7	Very low	38.9	Very low	75 Å²	75	127.8 Å²	127.8	77%	0.773	74%	0.743	S	S	*	*			trans	-162.5	148.6	168.5	0	0	0	0	0	109.6
114	S	31.5	Very low	37.8	Very low	118 Å²	118	128.5 Å²	128.5	83%	0.825	75%	0.747	S	S	*	*			cis	-156.4	142.1	0.3	99.9	0	0	0	0	108.8
115	E	33.7	Very low	36.8	Very low	193 Å²	193	137.4 Å²	137.4	90%	0.902	79%	0.785	S	S	*	*			trans	-130.7	147.8	162.8	-77.6	-165.8	145.9	0	0	110.2
116	A	35	Very low	35.9	Very low	85 Å²	85	137.1 Å²	137.1	70%	0.702	79%	0.793	S	S	*	*			trans	62.1	99	176.9	0	0	0	0	0	116.1
117	E	33.3	Very low	35.5	Very low	188 Å²	188	139.7 Å²	139.7	88%	0.879	80%	0.802	S	S	*	*				87.8	101.4	96.9	-80.9	-178.4	157.7	0	0	112.5
118	A	33	Very low	35.5	Very low	94 Å²	94	141.8 Å²	141.8	78%	0.777	80%	0.803	S	S	*	*				95.5	90.5	76.6	0	0	0	0	0	112.4
119	I	36.8	Very low	35.3	Very low	168 Å²	168	144.7 Å²	144.7	86%	0.862	81%	0.807	S	S	*	*			trans	-131.6	111.3	153.3	-60.8	-177.4	0	0	0	107.4
120	E	31.1	Very low	35.4	Very low	178 Å²	178	149.3 Å²	149.3	83%	0.832	80%	0.804	S	S	*	*			trans	-72.9	149	168.7	-67.2	-170.2	120.3	0	0	110.9
121	L	33.2	Very low	35.5	Very low	177 Å²	177	146.7 Å²	146.7	93%	0.927	79%	0.788	S	S	*	*			trans	-153.5	119.1	134.8	-114.9	157.6	0	0	0	110.3
122	A	35.3	Very low	35.6	Very low	76 Å²	76	148.4 Å²	148.4	63%	0.628	78%	0.783	S	S	*	*			trans	-95.9	154.7	-173.3	0	0	0	0	0	112.7
123	V	37.7	Very low	35.8	Very low	135 Å²	135	150.1 Å²	150.1	82%	0.818	78%	0.78	S	S	*	*			trans	-171.4	102.2	139.4	142.6	0	0	0	0	105.8
124	V	41.9	Very low	36.2	Very low	109 Å²	109	151.2 Å²	151.2	66%	0.661	77%	0.773	S	S	*	*				69	122.2	80.4	170.4	0	0	0	0	110.5
125	K	40.8	Very low	36.7	Very low	205 Å²	205	153.1 Å²	153.1	89%	0.891	77%	0.769	S	S	*	*			cis	-158.8	162.4	21.4	-117.2	153.2	-171.3	170.5	0	107.5
126	G	38.4	Very low	37.1	Very low	62 Å²	62	151.3 Å²	151.3	64%	0.639	76%	0.76	S	S	*	*			cis	-168	148.4	-2.8	0	0	0	0	0	109.1
127	R	38.2	Very low	37.4	Very low	240 Å²	240	154.7 Å²	154.7	91%	0.906	76%	0.761	S	S	*	*				53.6	128.4	91.5	-77.1	-171.4	172.9	-167.4	-2.3	114
128	R	37.6	Very low	37.7	Very low	223 Å²	223	150 Å²	150	84%	0.842	75%	0.749	S	S	*	*			cis	-143.9	148.8	20.9	-57.4	174.4	167.5	157.3	-5.7	109.5
129	Q	36.5	Very low	38.1	Very low	166 Å²	166	154.3 Å²	154.3	78%	0.776	75%	0.753	S	S	*	*				38.5	137.5	80.5	-78.8	-171.4	-1.8	0	0	114.7
130	R	36.4	Very low	38.4	Very low	191 Å²	191	151.4 Å²	151.4	72%	0.721	75%	0.745	S	S	*	*			cis	-164.4	148.2	22.7	-141.5	179.4	170.5	154	0.7	112.7
131	E	36.5	Very low	38.9	Very low	111 Å²	111	150 Å²	150	52%	0.519	74%	0.742	S	S	.	*			trans	35.1	129.1	141	-72.4	-178.8	100.1	0	0	124.5
132	R	35.3	Very low	39.2	Very low	193 Å²	193	152.6 Å²	152.6	73%	0.728	74%	0.74	S	S	*	*				98.5	116.3	127.9	-79.4	178.2	-151.7	-146.7	6.1	122.9
133	H	37.9	Very low	39.6	Very low	165 Å²	165	153.3 Å²	153.3	76%	0.764	75%	0.745	S	S	*	*			trans	69.9	130.6	146.6	-63	-63.4	0	0	0	121.2
134	P	40.2	Very low	39.8	Very low	99 Å²	99	152.4 Å²	152.4	64%	0.643	75%	0.745	S	S	*	*			trans	-94.2	172.1	173.9	40.3	-35.7	0	0	0	112
135	H	42.1	Very low	40	Very low	157 Å²	157	153.2 Å²	153.2	73%	0.727	75%	0.753	S	S	*	*				174.2	143.1	129.6	-91.1	-59.4	0	0	0	111.9
136	H	41.5	Very low	40.1	Very low	156 Å²	156	146.9 Å²	146.9	72%	0.722	75%	0.746	S	S	*	*			trans	67.1	147.5	161.9	-54.3	-46.6	0	0	0	117.5
137	H	41	Very low	40.2	Very low	156 Å²	156	149.7 Å²	149.7	72%	0.722	76%	0.756	S	S	*	*			cis	-159.2	155.8	-8	-133.8	-76.8	0	0	0	109.8
138	S	39.7	Very low	40.4	Very low	89 Å²	89	142.6 Å²	142.6	62%	0.622	74%	0.743	S	S	*	*			trans	25.1	146.8	147.9	47.2	0	0	0	0	122.3
139	Q	42.1	Very low	40.7	Very low	184 Å²	184	142 Å²	142	86%	0.86	74%	0.741	S	S	*	*			cis	-164.7	172.9	11.8	-117.9	177.1	8	0	0	109.9
140	P	43.5	Very low	41	Very low	108 Å²	108	140.6 Å²	140.6	70%	0.701	73%	0.734	S	S	*	*			trans	-101.5	-178.2	-169.5	41.3	-36.8	0	0	0	114.5
141	L	40.5	Very low	41.2	Very low	147 Å²	147	138 Å²	138	77%	0.77	73%	0.734	S	S	*	*			trans	176.9	138.8	136.7	-97.9	163.2	0	0	0	114.7
142	R	41.2	Very low	41.6	Very low	233 Å²	233	140.6 Å²	140.6	88%	0.879	75%	0.75	S	S	*	*			trans	64.4	159.3	158.3	-63.8	174.8	-176.9	-163.3	0.5	117
143	A	41.9	Very low	41.7	Very low	90 Å²	90	136.5 Å²	136.5	74%	0.744	75%	0.751	S	S	*	*			cis	-173.2	166	-22.1	0	0	0	0	0	106.4
144	S	43.4	Very low	42.1	Very low	116 Å²	116	140.4 Å²	140.4	81%	0.811	76%	0.759	S	S	*	*			cis	-158.5	174	-1.9	-117.5	0	0	0	0	109.4
145	P	46.2	Very low	42.2	Very low	127 Å²	127	141.8 Å²	141.8	83%	0.825	77%	0.768	S	S	*	*			trans	-104.2	169.9	-167.5	39.9	-35.6	0	0	0	116.2
146	G	41.3	Very low	42.3	Very low	72 Å²	72	140.6 Å²	140.6	74%	0.742	78%	0.776	S	S	*	*			trans	169	129.5	157.1	0	0	0	0	0	118.3
147	S	41.3	Very low	42.2	Very low	121 Å²	121	141.5 Å²	141.5	85%	0.846	78%	0.781	S	S	*	*			trans	60	147.7	148	-115.1	0	0	0	0	121.3
148	S	42.6	Very low	41.7	Very low	91 Å²	91	139 Å²	139	64%	0.636	78%	0.781	S	S	*	*			cis	-176.3	157.4	-19.4	45.7	0	0	0	0	111.1
149	R	43	Very low	42	Very low	211 Å²	211	147 Å²	147	80%	0.796	80%	0.797	S	S	*	*			trans	64.9	153.8	162.7	-66	172	99.9	145.1	2.1	116.9
150	E	43.2	Very low	41.8	Very low	136 Å²	136	142.8 Å²	142.8	64%	0.636	79%	0.794	S	S	*	*			cis	-152.4	173.3	2	-132.2	158.3	-166.7	0	0	112.3
151	D	40.3	Very low	41.4	Very low	135 Å²	135	141.3 Å²	141.3	72%	0.722	80%	0.798	S	S	*	*			trans	-57	160.2	-170.3	-57.6	-79.8	0	0	0	119.4
152	I	45	Very low	41.4	Very low	166 Å²	166	139.3 Å²	139.3	85%	0.851	80%	0.796	S	S	*	*				-179	133	108.6	-88.7	156.7	0	0	0	111.6
153	S	39.3	Very low	41.3	Very low	108 Å²	108	139 Å²	139	76%	0.755	80%	0.796	S	S	*	*			trans	-106.7	138.2	-179.1	-50.8	0	0	0	0	112.5
154	R	44.4	Very low	41.4	Very low	246 Å²	246	144 Å²	144	93%	0.928	80%	0.803	S	S	*	*			trans	-178.3	128.6	150.8	-110.4	171.9	-175.2	-163.4	1.5	114.3
155	P	42.9	Very low	41.1	Very low	129 Å²	129	141.8 Å²	141.8	84%	0.838	80%	0.798	S	S	*	*			trans	-110.8	152.5	145.5	35.2	-26.7	0	0	0	110.6
156	C	43.3	Very low	40.9	Very low	131 Å²	131	140.9 Å²	140.9	89%	0.885	80%	0.795	S	S	*	*			trans	-137.2	157.6	176.6	-155.7	0	0	0	0	112.2
157	Q	39.8	Very low	41	Very low	176 Å²	176	145.3 Å²	145.3	82%	0.822	79%	0.794	S	S	*	*			trans	-97.3	169.5	-161.6	-67.1	177.7	-22	0	0	114.8
158	S	32.1	Very low	41	Very low	103 Å²	103	147 Å²	147	72%	0.72	79%	0.788	S	S	*	*			trans	-23	146.4	166.6	55.7	0	0	0	0	119
159	W	44.7	Very low	40.9	Very low	257 Å²	257	148.9 Å²	148.9	97%	0.973	80%	0.801	S	S	*	*			trans	-128.3	144.5	146.6	-98.7	67.7	0	0	0	110.4
160	A	37.6	Very low	41	Very low	95 Å²	95	145.2 Å²	145.2	79%	0.785	80%	0.804	S	S	*	*			trans	-120.7	155.7	176.6	0	0	0	0	0	110.2
161	G	35.9	Very low	41.1	Very low	77 Å²	77	141.8 Å²	141.8	79%	0.794	81%	0.805	S	S	*	*			trans	110.7	118.9	148.1	0	0	0	0	0	118.5
162	S	40.4	Very low	41.4	Very low	105 Å²	105	141.9 Å²	141.9	73%	0.734	82%	0.815	S	S	*	*			trans	94	102.8	140.2	-151.5	0	0	0	0	120.6
163	R	39.8	Very low	41.3	Very low	228 Å²	228	138.7 Å²	138.7	86%	0.86	81%	0.813	S	S	*	*				41.3	125.4	127.8	-54.4	175.6	-178.1	-97.4	-0.9	118.7
164	Q	42.6	Very low	41.3	Very low	194 Å²	194	142.3 Å²	142.3	91%	0.907	82%	0.818	S	S	*	*				153.1	132.7	92.5	-163.1	162.1	28.9	0	0	112.7
165	G	37.2	Very low	41.3	Very low	69 Å²	69	139.1 Å²	139.1	71%	0.711	82%	0.819	S	S	*	*			trans	95.5	105.2	144.1	0	0	0	0	0	121.2
166	S	43.1	Very low	41.2	Very low	108 Å²	108	138.8 Å²	138.8	76%	0.755	81%	0.814	S	S	*	*				79.5	114.5	124.5	-168.9	0	0	0	0	122.5
167	K	42.8	Very low	41.3	Very low	166 Å²	166	138.6 Å²	138.6	72%	0.722	81%	0.811	S	S	*	*			trans	76.1	113.6	138.4	-73.4	-173.8	169.5	-138.1	0	122.9
168	E	41.7	Very low	41.2	Very low	155 Å²	155	133.6 Å²	133.6	72%	0.724	81%	0.807	S	S	*	*				53.8	110.4	120.7	-61	168.9	137.5	0	0	119.7
169	C	40.1	Very low	41.8	Very low	132 Å²	132	134.6 Å²	134.6	89%	0.892	81%	0.811	S	S	*	*			trans	-142.9	115.3	147	-88.7	0	0	0	0	109.7
170	P	44.4	Very low	41.6	Very low	134 Å²	134	127.6 Å²	127.6	87%	0.87	80%	0.802	S	S	*	*			trans	-91.3	142.6	170.5	34.8	-30.8	0	0	0	111.1
171	G	46.1	Very low	41.6	Very low	64 Å²	64	128.4 Å²	128.4	66%	0.66	80%	0.801	S	S	*	*			trans	173.3	140.7	171.7	0	0	0	0	0	114.4
172	C	45.9	Very low	41.7	Very low	136 Å²	136	136.4 Å²	136.4	92%	0.919	81%	0.808	S	S	*	*			trans	71.3	129.1	170.4	-48.2	0	0	0	0	116.8
173	A	42.7	Very low	41.5	Very low	100 Å²	100	135.6 Å²	135.6	83%	0.826	81%	0.808	S	S	*	*			cis	-159.8	150.3	-20.5	0	0	0	0	0	108.4
174	Q	40.4	Very low	41.6	Very low	183 Å²	183	135.3 Å²	135.3	86%	0.855	81%	0.813	S	S	*	*			trans	-79.4	148.2	175.3	-66.9	172.3	-48	0	0	112.2
175	L	44.7	Very low	41.3	Very low	179 Å²	179	129.6 Å²	129.6	94%	0.937	81%	0.806	S	S	*	*			trans	-142.4	157.8	140.5	-86.3	-175.4	0	0	0	110.7
176	V	40.4	Very low	41.6	Very low	123 Å²	123	134.9 Å²	134.9	75%	0.745	82%	0.817	S	S	*	*			trans	-112.2	152.1	-149.9	168.8	0	0	0	0	112.3
177	P	45.5	Very low	41.2	Very low	126 Å²	126	138.4 Å²	138.4	82%	0.818	82%	0.822	S	S	*	*			trans	-87.3	159.7	-178.3	34.9	-37.4	0	0	0	115
178	G	36.7	Very low	41.2	Very low	72 Å²	72	139.5 Å²	139.5	74%	0.742	83%	0.83	S	S	*	*			trans	-172.3	155.8	170.1	0	0	0	0	0	113.3
179	P	46.2	Very low	41.1	Very low	124 Å²	124	136.9 Å²	136.9	81%	0.805	83%	0.826	S	S	*	*			trans	-120.1	174.5	-151.9	41.6	-30.9	0	0	0	116.8
180	S	39.1	Very low	41	Very low	110 Å²	110	136.5 Å²	136.5	77%	0.769	82%	0.822	S	S	*	*			trans	133.8	130.1	135.4	71.7	0	0	0	0	118.9
181	S	37.1	Very low	41.1	Very low	112 Å²	112	137.6 Å²	137.6	78%	0.783	82%	0.819	S	S	*	*			trans	59.7	107.3	135	-55.7	0	0	0	0	123.7
182	R	39.3	Very low	40.9	Very low	244 Å²	244	140 Å²	140	92%	0.921	82%	0.823	S	S	*	*				178.4	110.6	129.8	-98.4	160.8	179.9	165.8	0.7	108.1
183	A	36.6	Very low	40.2	Very low	89 Å²	89	142.7 Å²	142.7	74%	0.736	82%	0.823	S	S	*	*				72.8	90.3	54.9	0	0	0	0	0	114.3
184	F	42	Very low	40.1	Very low	221 Å²	221	142.5 Å²	142.5	97%	0.969	82%	0.821	S	S	*	*			trans	-144	135.2	146.3	-85.3	-74.9	0	0	0	107.6
185	G	34.7	Very low	40.1	Very low	75 Å²	75	140.2 Å²	140.2	77%	0.773	82%	0.822	S	S	*	*			trans	-139.1	156	177.8	0	0	0	0	0	110.9
186	L	45	Very low	40	Very low	180 Å²	180	135.4 Å²	135.4	94%	0.942	82%	0.816	S	S	*	*			trans	-137.6	123.5	162.7	-85.1	172.1	0	0	0	107.8
187	E	33.4	Very low	39.9	Very low	182 Å²	182	140.7 Å²	140.7	85%	0.85	82%	0.822	S	S	*	*			trans	-70.1	152.8	168.3	-74.4	-174.4	86.8	0	0	111.4
188	Q	43.1	Very low	39.8	Very low	189 Å²	189	143.6 Å²	143.6	88%	0.883	83%	0.825	S	S	*	*				-162	161.6	126.6	-104.9	-172.4	9.6	0	0	109.7
189	P	39.8	Very low	40	Very low	99 Å²	99	149.7 Å²	149.7	64%	0.643	83%	0.831	S	S	*	*			trans	-118.6	169.1	-130.9	21.6	0.6	0	0	0	115.3
190	P	37.4	Very low	39.4	Very low	124 Å²	124	151.3 Å²	151.3	81%	0.805	83%	0.825	S	S	*	*			trans	-87.6	137.8	174.5	34.9	-32.8	0	0	0	112.5
191	L	48.1	Very low	39.1	Very low	157 Å²	157	153.2 Å²	153.2	82%	0.822	83%	0.826	S	S	*	*			trans	-162.8	160.8	177.5	-105.6	169.9	0	0	0	109.4
192	P	40.7	Very low	39.1	Very low	115 Å²	115	153.4 Å²	153.4	75%	0.747	81%	0.814	S	S	*	*				-125.4	-172.6	-91.8	43.3	-31.8	0	0	0	114.9
193	E	32.5	Very low	39.2	Very low	193 Å²	193	151.7 Å²	151.7	90%	0.902	81%	0.808	S	S	*	*			trans	-58.7	146.5	175.4	-54.7	179	122.6	0	0	115
194	A	39.5	Very low	39.1	Very low	95 Å²	95	154.5 Å²	154.5	79%	0.785	81%	0.807	S	S	*	*			trans	-152.2	138.3	148.7	0	0	0	0	0	110.6
195	P	40.2	Very low	38.6	Very low	136 Å²	136	154.1 Å²	154.1	88%	0.883	80%	0.801	S	S	*	*			trans	-95.3	142.1	-167.5	35.2	-35.2	0	0	0	114.9
196	G	43.3	Very low	38.8	Very low	78 Å²	78	155.1 Å²	155.1	80%	0.804	80%	0.796	S	S	*	*			trans	-125.6	99.1	175.5	0	0	0	0	0	113.3
197	R	38.4	Very low	38.4	Very low	233 Å²	233	153.2 Å²	153.2	88%	0.879	79%	0.792	S	S	*	*			trans	-62.5	129	178.3	-65.5	166.8	160.3	-165.1	-4.6	112.6
198	H	42.1	Very low	38.6	Very low	188 Å²	188	151.5 Å²	151.5	87%	0.87	79%	0.789	S	S	*	*			trans	-149.2	103.2	145.7	-92.6	-74	0	0	0	114.1
199	K	40.9	Very low	38.2	Very low	200 Å²	200	146 Å²	146	87%	0.87	78%	0.782	S	S	*	*			trans	26.4	93.1	156.4	-68.2	179.1	177.4	176.4	0	120.7
200	K	33.9	Very low	37.9	Very low	157 Å²	157	146.7 Å²	146.7	68%	0.683	78%	0.784	S	S	*	*			trans	-20.4	129.3	135.6	179.9	172.2	-177.8	165.8	0	115.3	E202	K200-E202 HydrophobicContact CD-CB 4.45Å; K200-E202 VanDerWaalsContact CE-CB 3.45Å; K200-E202 WeakPolarHBondContact CE-OE1 3.38Å; K200-E202 WeakPolarHBondContact CE-OE2 3.48Å; K200-E202 HydrophobicContact CG-CB 4.07Å; K200-E202 IonicContact NZ-OE1 3.56Å; K200-E202 PolarHBondContact NZ-OE1 2.9Å; K200-E202 IonicContact NZ-OE2 3.15Å; K200-E202 PolarHBondContact NZ-OE2 3.39Å
201	L	34.1	Very low	37.8	Very low	150 Å²	150	146.2 Å²	146.2	79%	0.785	78%	0.784	S	S	*	*			trans	-136	78.9	156.6	-146.7	159	0	0	0	109.2	R203	L201-R203 PolarHBondContact O-N 3.23Å
202	E	35.7	Very low	37.3	Very low	117 Å²	117	145 Å²	145	55%	0.547	78%	0.778	S	S	.	*			trans	-78.2	113.3	179.2	178.1	-179.8	-102.8	0	0	109.2	K200 M204	K200-E202 HydrophobicContact CD-CB 4.45Å; K200-E202 VanDerWaalsContact CE-CB 3.45Å; K200-E202 WeakPolarHBondContact CE-OE1 3.38Å; K200-E202 WeakPolarHBondContact CE-OE2 3.48Å; K200-E202 HydrophobicContact CG-CB 4.07Å; K200-E202 IonicContact NZ-OE1 3.56Å; K200-E202 PolarHBondContact NZ-OE1 2.9Å; K200-E202 IonicContact NZ-OE2 3.15Å; K200-E202 PolarHBondContact NZ-OE2 3.39Å; E202-M204 HydrophobicContact CG-CG 4.19Å
203	R	41.5	Very low	37.2	Very low	207 Å²	207	147 Å²	147	78%	0.781	78%	0.783	S	S	*	*			trans	-93.8	90.9	162.5	-85	-168.4	173.2	88.8	-1.6	108.7	L201 Y205	L201-R203 PolarHBondContact O-N 3.23Å; R203-Y205 PolarHBondContact O-N 3.25Å; R203-Y205 VanDerWaalsContact O-N 3.16Å
204	M	34	Very low	37.7	Very low	148 Å²	148	143.3 Å²	143.3	73%	0.729	77%	0.773	S	S	*	*			trans	-58.6	112.6	156.5	-75.2	151.5	56.4	0	0	108.1	E202	E202-M204 HydrophobicContact CG-CG 4.19Å
205	Y	33.2	Very low	37.8	Very low	213 Å²	213	143.7 Å²	143.7	84%	0.835	77%	0.767	S	S	*	*			trans	-92.6	121.5	149	-102	-87.5	0	0	0	107.1	R203 V207	R203-Y205 PolarHBondContact O-N 3.25Å; R203-Y205 VanDerWaalsContact O-N 3.16Å; Y205-V207 PolarHBondContact O-N 2.92Å
206	S	38.5	Very low	37.5	Very low	96 Å²	96	145.6 Å²	145.6	67%	0.671	77%	0.768	S	S	*	*			trans	-59.2	130.6	-179.2	-49.7	0	0	0	0	110.4	D208	S206-D208 VanDerWaalsContact C-N 3.32Å; S206-D208 PolarHBondContact O-N 3.31Å
207	V	36.1	Very low	37.3	Very low	141 Å²	141	151.9 Å²	151.9	86%	0.855	77%	0.768	S	S	*	*			trans	-73.6	92.6	161.6	176.9	0	0	0	0	107.1	Y205 G209	Y205-V207 PolarHBondContact O-N 2.92Å; V207-G209 PolarHBondContact O-N 3.03Å
208	D	37.3	Very low	37	Very low	146 Å²	146	146.1 Å²	146.1	78%	0.781	76%	0.759	S	S	*	*			trans	-76	98.6	162.2	-90.8	-33.8	0	0	0	108.1	S206 V210	S206-D208 VanDerWaalsContact C-N 3.32Å; S206-D208 PolarHBondContact O-N 3.31Å; D208-V210 PolarHBondContact O-N 3.35Å
209	G	35.3	Very low	36.5	Very low	72 Å²	72	148.7 Å²	148.7	74%	0.742	76%	0.761	S	S	*	*			trans	-71.8	93.7	173.2	0	0	0	0	0	111	V207	V207-G209 PolarHBondContact O-N 3.03Å
210	V	34.2	Very low	36	Very low	115 Å²	115	148 Å²	148	70%	0.697	76%	0.758	S	S	*	*			trans	-90.8	101.5	162.9	-177.3	0	0	0	0	108.4	D208 D212	D208-V210 PolarHBondContact O-N 3.35Å; V210-D212 HydrophobicContact CG1-CB 4.49Å; V210-D212 PolarHBondContact O-N 3.35Å
211	S	34.4	Very low	36.3	Very low	113 Å²	113	145.9 Å²	145.9	79%	0.79	76%	0.761	S	S	*	*			trans	-78.7	89.5	169.7	177.9	0	0	0	0	109.5
212	D	37.6	Very low	36.4	Very low	133 Å²	133	147 Å²	147	71%	0.711	76%	0.759	S	S	*	*			trans	-103	98.5	169	-97.5	-32	0	0	0	110.8	V210 V214	V210-D212 HydrophobicContact CG1-CB 4.49Å; V210-D212 PolarHBondContact O-N 3.35Å; D212-V214 HydrophobicContact CB-CG2 4.35Å; D212-V214 PolarHBondContact O-N 2.89Å; D212-V214 VanDerWaalsContact O-N 3.09Å
213	D	38.4	Very low	36.5	Very low	157 Å²	157	148.6 Å²	148.6	84%	0.84	77%	0.767	S	S	*	*			trans	-67.9	95.4	168.7	-129.2	-36.3	0	0	0	108.9
214	V	43.2	Very low	36.2	Very low	115 Å²	115	145.8 Å²	145.8	70%	0.697	77%	0.767	S	S	*	*			trans	-116.3	108.3	175.5	-176.5	0	0	0	0	109.7	D212 I216	D212-V214 HydrophobicContact CB-CG2 4.35Å; D212-V214 PolarHBondContact O-N 2.89Å; D212-V214 VanDerWaalsContact O-N 3.09Å; V214-I216 PolarHBondContact O-N 2.83Å
215	P	41.8	Very low	36.3	Very low	102 Å²	102	147.1 Å²	147.1	66%	0.662	78%	0.776	S	S	*	*			trans	-67.7	136.6	-178.3	27	-33.9	0	0	0	111.1	R217	P215-R217 PolarHBondContact O-N 2.78Å
216	I	34	Very low	36.6	Very low	177 Å²	177	144.9 Å²	144.9	91%	0.908	77%	0.771	S	S	*	*			trans	-59.7	96.7	-178.9	-60.1	169.9	0	0	0	110.1	V214	V214-I216 PolarHBondContact O-N 2.83Å
217	R	38	Very low	36.6	Very low	209 Å²	209	143.3 Å²	143.3	79%	0.789	76%	0.76	S	S	*	*			trans	-115.6	98.8	169.5	-89.8	-173.8	171.2	-101.9	1.4	111.1	P215 W219	P215-R217 PolarHBondContact O-N 2.78Å; R217-W219 PolarHBondContact O-N 2.51Å
218	T	32	Very low	36.7	Very low	113 Å²	113	145.2 Å²	145.2	69%	0.693	76%	0.757	S	S	*	*			trans	44.8	68.1	140.7	59.6	0	0	0	0	117.1	F220	T218-F220 PolarHBondContact O-N 3.46Å
219	W	32.8	Very low	37	Very low	241 Å²	241	145.9 Å²	145.9	91%	0.913	76%	0.756	S	S	*	*			trans	-81.9	84.6	160	-87.2	78.7	0	0	0	110.6	R217 P221	R217-W219 PolarHBondContact O-N 2.51Å; W219-P221 HydrophobicContact CE3-CG 4.47Å; W219-P221 WeakPolarHBondContact O-CD 3.39Å
220	F	29.4	Very low	37.6	Very low	186 Å²	186	146.3 Å²	146.3	82%	0.816	74%	0.744	S	S	*	*			trans	-99.2	101.5	159	-92.1	-84.7	0	0	0	108.9	T218 K222	T218-F220 PolarHBondContact O-N 3.46Å; F220-K222 VanDerWaalsContact C-N 3.29Å; F220-K222 PolarHBondContact O-N 2.89Å
221	P	41.8	Very low	38	Very low	113 Å²	113	142.1 Å²	142.1	73%	0.734	72%	0.722	S	S	*	*			trans	-76	86	167.8	-11.5	29	0	0	0	109.2	W219 E223	W219-P221 HydrophobicContact CE3-CG 4.47Å; W219-P221 WeakPolarHBondContact O-CD 3.39Å; P221-E223 PolarHBondContact O-N 3Å; P221-E223 VanDerWaalsContact O-N 3.09Å
222	K	35.2	Very low	38.6	Very low	173 Å²	173	139.6 Å²	139.6	75%	0.752	70%	0.701	S	S	*	*			trans	-68.7	100.9	167.7	-171.6	177.9	-175.8	179.4	0	108.7	F220	F220-K222 VanDerWaalsContact C-N 3.29Å; F220-K222 PolarHBondContact O-N 2.89Å
223	E	37.9	Very low	39.4	Very low	150 Å²	150	137.6 Å²	137.6	70%	0.701	69%	0.694	S	S	*	*	S	Bend	trans	63.9	141.6	157.9	-60	165.2	-122.6	0	0	118.6	P221	P221-E223 PolarHBondContact O-N 3Å; P221-E223 VanDerWaalsContact O-N 3.09Å
224	N	35.3	Very low	40	Very low	149 Å²	149	133.7 Å²	133.7	80%	0.797	68%	0.676	S	S	*	*			trans	56	84.9	163.8	-65.2	-34.5	0	0	0	119.6
225	L	36.6	Very low	40.3	Very low	176 Å²	176	134.4 Å²	134.4	92%	0.921	67%	0.673	S	S	*	*			trans	-143.3	85.1	140.4	-102	129.2	0	0	0	111.3	S227	L225-S227 PolarHBondContact O-N 3.34Å
226	F	39.8	Very low	41	Very low	165 Å²	165	134.8 Å²	134.8	72%	0.724	67%	0.666	S	S	*	*			trans	-64.6	114.9	164.7	-131.1	-78.9	0	0	0	107.9	F228 A231	F226-F228 PolarHBondContact O-N 2.88Å; F226-A231 HydrophobicContact CD1-CB 3.89Å; F226-A231 HydrophobicContact CE1-CB 4.09Å
227	S	37.8	Very low	41.7	Very low	63 Å²	63	128.9 Å²	128.9	44%	0.441	64%	0.644	S	S	.	*			trans	-66	124.4	175.7	67.4	0	0	0	0	108.9	L225 Q229 T230 A231	L225-S227 PolarHBondContact O-N 3.34Å; S227-Q229 PolarHBondContact O-N 2.66Å; S227-T230 PolarHBondContact O-N 3.2Å; S227-T230 VanDerWaalsContact O-N 3.09Å; S227-T230 WeakPolarHBondContact OG-CB 3.46Å; S227-T230 PolarHBondContact OG-OG1 3.35Å; S227-A231 PolarHBondContact O-N 3.13Å
228	F	38.4	Very low	42.6	Very low	181 Å²	181	124.1 Å²	124.1	79%	0.794	63%	0.633	S	S	*	*	H	α-helix	trans	-57.3	-25	-177	-94.2	-94.8	0	0	0	112.7	F226 T232	F226-F228 PolarHBondContact O-N 2.88Å; F228-T232 VanDerWaalsContact O-CB 3.28Å; F228-T232 WeakPolarHBondContact O-CB 3.49Å; F228-T232 PolarHBondContact O-N 3.27Å; F228-T232 PolarHBondContact O-OG1 2.85Å
229	Q	42.6	Very low	43.7	Very low	161 Å²	161	121.1 Å²	121.1	75%	0.752	62%	0.617	S	S	*	*	H	α-helix	trans	-70.2	-47.1	176.3	-61.9	-173.9	5.4	0	0	111.9	S227 A231 T232 T233	S227-Q229 PolarHBondContact O-N 2.66Å; Q229-A231 PolarHBondContact O-N 3.48Å; Q229-T232 PolarHBondContact O-N 3.01Å; Q229-T232 VanDerWaalsContact O-N 3.16Å; Q229-T233 PolarHBondContact O-N 2.78Å; Q229-T233 PolarHBondContact O-OG1 2.92Å
230	T	47.6	Very low	44.8	Very low	81 Å²	81	113.8 Å²	113.8	50%	0.497	60%	0.595	S	S	.	*	H	α-helix	trans	-67	-38.5	178.4	-56.6	0	0	0	0	111.9	S227 T232 T234	S227-T230 PolarHBondContact O-N 3.2Å; S227-T230 VanDerWaalsContact O-N 3.09Å; S227-T230 WeakPolarHBondContact OG-CB 3.46Å; S227-T230 PolarHBondContact OG-OG1 3.35Å; T230-T232 VanDerWaalsContact C-N 3.34Å; T230-T234 WeakPolarHBondContact O-CB 3.44Å; T230-T234 PolarHBondContact O-N 2.74Å; T230-T234 PolarHBondContact O-OG1 3.28Å
231	A	43.1	Very low	45.9	Very low	27 Å²	27	112.3 Å²	112.3	22%	0.223	59%	0.589	C	S	.	*	H	α-helix	trans	-59.5	-44.5	170.2	0	0	0	0	0	111.8	F226 S227 Q229 T234 M235	F226-A231 HydrophobicContact CD1-CB 3.89Å; F226-A231 HydrophobicContact CE1-CB 4.09Å; S227-A231 PolarHBondContact O-N 3.13Å; Q229-A231 PolarHBondContact O-N 3.48Å; A231-T234 PolarHBondContact O-N 3.25Å; A231-M235 WeakPolarHBondContact O-CB 3.46Å; A231-M235 WeakPolarHBondContact O-CG 3.23Å; A231-M235 PolarHBondContact O-N 3.05Å
232	T	48.1	Very low	46.4	Very low	59 Å²	59	114.8 Å²	114.8	36%	0.362	58%	0.583	S	S	.	*	H	α-helix	trans	-67	-44.6	-178.9	-58.8	0	0	0	0	112.1	F228 Q229 T230 T234 M235 Q236	F228-T232 VanDerWaalsContact O-CB 3.28Å; F228-T232 WeakPolarHBondContact O-CB 3.49Å; F228-T232 PolarHBondContact O-N 3.27Å; F228-T232 PolarHBondContact O-OG1 2.85Å; Q229-T232 PolarHBondContact O-N 3.01Å; Q229-T232 VanDerWaalsContact O-N 3.16Å; T230-T232 VanDerWaalsContact C-N 3.34Å; T232-T234 VanDerWaalsContact C-N 3.35Å; T232-T234 PolarHBondContact O-N 3.37Å; T232-M235 PolarHBondContact O-N 3.43Å; T232-Q236 HydrophobicContact CG2-CG 4.37Å; T232-Q236 WeakPolarHBondContact O-CB 3.49Å; T232-Q236 VanDerWaalsContact O-CG 3.31Å; T232-Q236 WeakPolarHBondContact O-CG 3.1Å; T232-Q236 PolarHBondContact O-N 3.36Å
233	T	54.6	Low	47.2	Very low	92 Å²	92	112.5 Å²	112.5	56%	0.564	57%	0.574	S	S	*	*	H	α-helix	trans	-63	-41.2	176.4	-55.8	0	0	0	0	111.6	Q229 Q236 A237	Q229-T233 PolarHBondContact O-N 2.78Å; Q229-T233 PolarHBondContact O-OG1 2.92Å; T233-Q236 PolarHBondContact O-N 2.8Å; T233-A237 WeakPolarHBondContact O-CB 3.25Å; T233-A237 PolarHBondContact O-N 2.91Å
234	T	50	Low	47.7	Very low	75 Å²	75	111.1 Å²	111.1	46%	0.46	57%	0.567	S	S	.	*	H	α-helix	trans	-65.5	-43.8	176.5	-51.5	0	0	0	0	111.3	T230 A231 T232 Q236 A237 I238	T230-T234 WeakPolarHBondContact O-CB 3.44Å; T230-T234 PolarHBondContact O-N 2.74Å; T230-T234 PolarHBondContact O-OG1 3.28Å; A231-T234 PolarHBondContact O-N 3.25Å; T232-T234 VanDerWaalsContact C-N 3.35Å; T232-T234 PolarHBondContact O-N 3.37Å; T234-Q236 PolarHBondContact O-N 3.45Å; T234-A237 PolarHBondContact O-N 3.3Å; T234-I238 HydrophobicContact CG2-CD1 4.04Å; T234-I238 VanDerWaalsContact O-CG1 3.26Å; T234-I238 WeakPolarHBondContact O-CG1 3.34Å; T234-I238 PolarHBondContact O-N 2.91Å
235	M	50.5	Low	48.3	Very low	130 Å²	130	110 Å²	110	64%	0.64	56%	0.56	S	S	*	*	H	α-helix	trans	-65	-36.6	173.8	-75.6	-153.5	-63.4	0	0	112.9	A231 T232 I238 S239	A231-M235 WeakPolarHBondContact O-CB 3.46Å; A231-M235 WeakPolarHBondContact O-CG 3.23Å; A231-M235 PolarHBondContact O-N 3.05Å; T232-M235 PolarHBondContact O-N 3.43Å; M235-I238 PolarHBondContact O-N 2.82Å; M235-S239 VanDerWaalsContact O-CB 3.3Å; M235-S239 WeakPolarHBondContact O-CB 3.35Å; M235-S239 PolarHBondContact O-N 2.78Å
236	Q	54.7	Low	49.2	Very low	110 Å²	110	109.8 Å²	109.8	51%	0.514	55%	0.547	S	S	.	.	H	α-helix	trans	-65.7	-44.7	175.3	-77.6	-179.8	2.1	0	0	111.2	T232 T233 T234 S239 N240	T232-Q236 HydrophobicContact CG2-CG 4.37Å; T232-Q236 WeakPolarHBondContact O-CB 3.49Å; T232-Q236 VanDerWaalsContact O-CG 3.31Å; T232-Q236 WeakPolarHBondContact O-CG 3.1Å; T232-Q236 PolarHBondContact O-N 3.36Å; T233-Q236 PolarHBondContact O-N 2.8Å; T234-Q236 PolarHBondContact O-N 3.45Å; Q236-S239 PolarHBondContact O-N 3.17Å; Q236-S239 VanDerWaalsContact O-N 3.14Å; Q236-S239 PolarHBondContact O-OG 2.99Å; Q236-N240 WeakPolarHBondContact O-CB 3.32Å; Q236-N240 PolarHBondContact O-N 3.32Å; Q236-N240 PolarHBondContact O-ND2 2.97Å
237	A	50.5	Low	49.7	Very low	52 Å²	52	108.7 Å²	108.7	43%	0.43	55%	0.546	S	S	.	.	H	α-helix	trans	-58.5	-47.5	174	0	0	0	0	0	112	T233 T234 S239 N240 F241	T233-A237 WeakPolarHBondContact O-CB 3.25Å; T233-A237 PolarHBondContact O-N 2.91Å; T234-A237 PolarHBondContact O-N 3.3Å; A237-S239 VanDerWaalsContact C-N 3.31Å; A237-S239 PolarHBondContact O-N 3.45Å; A237-N240 PolarHBondContact O-N 2.85Å; A237-F241 PolarHBondContact O-N 2.86Å
238	I	55.6	Low	50.5	Low	110 Å²	110	111 Å²	111	56%	0.564	56%	0.557	S	S	*	*	H	α-helix	trans	-61.2	-39.2	174.2	-66.9	165.5	0	0	0	111.1	T234 M235 R242	T234-I238 HydrophobicContact CG2-CD1 4.04Å; T234-I238 VanDerWaalsContact O-CG1 3.26Å; T234-I238 WeakPolarHBondContact O-CG1 3.34Å; T234-I238 PolarHBondContact O-N 2.91Å; M235-I238 PolarHBondContact O-N 2.82Å; I238-R242 WeakPolarHBondContact O-CB 3.43Å; I238-R242 PolarHBondContact O-N 2.68Å; I238-R242 VanDerWaalsContact O-N 3.08Å
239	S	55.9	Low	50.8	Low	50 Å²	50	105.4 Å²	105.4	35%	0.35	55%	0.55	S	S	.	*	H	α-helix	trans	-68.1	-34.7	177.7	87.6	0	0	0	0	112.9	M235 Q236 A237 R242 K243	M235-S239 VanDerWaalsContact O-CB 3.3Å; M235-S239 WeakPolarHBondContact O-CB 3.35Å; M235-S239 PolarHBondContact O-N 2.78Å; Q236-S239 PolarHBondContact O-N 3.17Å; Q236-S239 VanDerWaalsContact O-N 3.14Å; Q236-S239 PolarHBondContact O-OG 2.99Å; A237-S239 VanDerWaalsContact C-N 3.31Å; A237-S239 PolarHBondContact O-N 3.45Å; S239-R242 PolarHBondContact O-N 2.73Å; S239-K243 PolarHBondContact O-N 2.95Å
240	N	55.1	Low	50.6	Low	86 Å²	86	102.3 Å²	102.3	46%	0.46	55%	0.547	S	S	.	.	H	α-helix	trans	-75.8	-39.2	179.5	-73.4	-25	0	0	0	111.2	Q236 A237 R242 K243 H244	Q236-N240 WeakPolarHBondContact O-CB 3.32Å; Q236-N240 PolarHBondContact O-N 3.32Å; Q236-N240 PolarHBondContact O-ND2 2.97Å; A237-N240 PolarHBondContact O-N 2.85Å; N240-R242 VanDerWaalsContact C-N 3.27Å; N240-R242 PolarHBondContact O-N 2.94Å; N240-K243 WeakPolarHBondContact O-CB 3.41Å; N240-K243 PolarHBondContact O-N 2.94Å; N240-K243 VanDerWaalsContact O-N 3.11Å; N240-H244 PolarHBondContact O-N 3.29Å
241	F	53.5	Low	50.2	Low	155 Å²	155	109.7 Å²	109.7	68%	0.68	57%	0.565	S	S	*	*	H	α-helix	trans	-55.5	-42.8	166	-104.7	-86.9	0	0	0	111.7	A237 K243 H244 L245	A237-F241 PolarHBondContact O-N 2.86Å; F241-K243 VanDerWaalsContact C-N 3.31Å; F241-K243 PolarHBondContact O-N 2.85Å; F241-H244 PolarHBondContact O-N 2.97Å; F241-L245 PolarHBondContact O-N 2.67Å
242	R	51	Low	49.9	Very low	166 Å²	166	120 Å²	120	63%	0.626	60%	0.599	S	S	*	*	H	α-helix	trans	-71.3	-20.4	178.2	-151.3	175.5	73.2	158.4	1.2	114.1	I238 S239 N240	I238-R242 WeakPolarHBondContact O-CB 3.43Å; I238-R242 PolarHBondContact O-N 2.68Å; I238-R242 VanDerWaalsContact O-N 3.08Å; S239-R242 PolarHBondContact O-N 2.73Å; N240-R242 VanDerWaalsContact C-N 3.27Å; N240-R242 PolarHBondContact O-N 2.94Å
243	K	51.5	Low	49.4	Very low	125 Å²	125	123.7 Å²	123.7	54%	0.543	62%	0.621	S	S	.	*	H	α-helix	trans	-76.9	-42.1	167.5	-74.3	174.9	-177.4	168.9	0	111.2	S239 N240 F241 R246 M247	S239-K243 PolarHBondContact O-N 2.95Å; N240-K243 WeakPolarHBondContact O-CB 3.41Å; N240-K243 PolarHBondContact O-N 2.94Å; N240-K243 VanDerWaalsContact O-N 3.11Å; F241-K243 VanDerWaalsContact C-N 3.31Å; F241-K243 PolarHBondContact O-N 2.85Å; K243-R246 PolarHBondContact O-N 3.4Å; K243-M247 PolarHBondContact O-N 3.43Å; K243-M247 VanDerWaalsContact O-N 3.12Å
244	H	49.1	Very low	48.5	Very low	121 Å²	121	128.7 Å²	128.7	56%	0.56	64%	0.635	S	S	*	*	H	α-helix	trans	-63.7	-47.2	179.9	-149.8	88.6	0	0	0	111.5	N240 F241 R246 M247 V248	N240-H244 PolarHBondContact O-N 3.29Å; F241-H244 PolarHBondContact O-N 2.97Å; H244-R246 PolarHBondContact O-N 3.11Å; H244-M247 PolarHBondContact O-N 2.94Å; H244-M247 VanDerWaalsContact O-N 3.07Å; H244-V248 WeakPolarHBondContact O-CG2 3.44Å; H244-V248 PolarHBondContact O-N 3.5Å
245	L	49.3	Very low	47.8	Very low	126 Å²	126	129.7 Å²	129.7	66%	0.66	65%	0.651	S	S	*	*	H	α-helix	trans	-58.8	-29.5	173.9	-73.8	168.2	0	0	0	113.5	F241 G249	F241-L245 PolarHBondContact O-N 2.67Å; L245-G249 PolarHBondContact O-N 3.02Å; L245-G249 VanDerWaalsContact O-N 3.09Å
246	R	55.3	Low	47.1	Very low	171 Å²	171	129.9 Å²	129.9	65%	0.645	65%	0.65	S	S	*	*	H	α-helix	trans	-79.6	-25.6	177.4	-166.9	178.4	-66.4	163.7	-4.8	113.4	K243 H244	K243-R246 PolarHBondContact O-N 3.4Å; H244-R246 PolarHBondContact O-N 3.11Å
247	M	49.2	Very low	46.3	Very low	142 Å²	142	129.8 Å²	129.8	70%	0.7	66%	0.657	S	S	*	*	H	α-helix	trans	-81.6	-38.4	173.1	-73.9	-171.5	-69.2	0	0	112.1	K243 H244	K243-M247 PolarHBondContact O-N 3.43Å; K243-M247 VanDerWaalsContact O-N 3.12Å; H244-M247 PolarHBondContact O-N 2.94Å; H244-M247 VanDerWaalsContact O-N 3.07Å
248	V	54.2	Low	45.7	Very low	110 Å²	110	137.8 Å²	137.8	67%	0.667	68%	0.683	S	S	*	*	H	α-helix	trans	-79.3	-24.6	-179.6	-173.8	0	0	0	0	112.4	H244 S250	H244-V248 WeakPolarHBondContact O-CG2 3.44Å; H244-V248 PolarHBondContact O-N 3.5Å; V248-S250 VanDerWaalsContact C-N 3.33Å; V248-S250 PolarHBondContact O-N 3.25Å
249	G	44.7	Very low	45	Very low	64 Å²	64	137 Å²	137	66%	0.66	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	4.2	177.3	0	0	0	0	0	116.7	L245 R251	L245-G249 PolarHBondContact O-N 3.02Å; L245-G249 VanDerWaalsContact O-N 3.09Å; G249-R251 PolarHBondContact O-N 3.48Å
250	S	40	Very low	44.2	Very low	97 Å²	97	141.8 Å²	141.8	68%	0.678	71%	0.709	S	S	*	*			trans	-95.3	44.8	-170.8	-155.1	0	0	0	0	114.5	V248	V248-S250 VanDerWaalsContact C-N 3.33Å; V248-S250 PolarHBondContact O-N 3.25Å
251	R	38.7	Very low	43.5	Very low	235 Å²	235	147.4 Å²	147.4	89%	0.887	72%	0.724	S	S	*	*			trans	-106.4	87.1	161	-76.9	-166.5	178.1	-155.5	1.1	109.8	G249 V253	G249-R251 PolarHBondContact O-N 3.48Å; R251-V253 VanDerWaalsContact C-N 3.3Å; R251-V253 PolarHBondContact O-N 3Å
252	R	37.4	Very low	42.8	Very low	244 Å²	244	151.1 Å²	151.1	92%	0.921	73%	0.733	S	S	*	*			trans	-73.7	76.9	-177.4	-162.2	-179.5	-165.9	-171.6	3.9	111	K254	R252-K254 PolarHBondContact O-N 2.86Å
253	V	37.6	Very low	42	Very low	137 Å²	137	151.5 Å²	151.5	83%	0.83	74%	0.742	S	S	*	*			trans	-61.1	121	167	179.4	0	0	0	0	107.7	R251 A255	R251-V253 VanDerWaalsContact C-N 3.3Å; R251-V253 PolarHBondContact O-N 3Å; V253-A255 PolarHBondContact O-N 2.94Å; V253-A255 VanDerWaalsContact O-N 3.15Å
254	K	35.4	Very low	41.5	Very low	196 Å²	196	157 Å²	157	85%	0.852	76%	0.76	S	S	*	*			trans	-72.3	106.9	-172	-159.7	175.6	-175.1	-177.9	0	108.1	R252 Q256	R252-K254 PolarHBondContact O-N 2.86Å; K254-Q256 PolarHBondContact O-N 3.47Å
255	A	34.6	Very low	40.7	Very low	97 Å²	97	156.2 Å²	156.2	80%	0.802	77%	0.767	S	S	*	*			trans	-59.2	108.8	175.2	0	0	0	0	0	109.2	V253	V253-A255 PolarHBondContact O-N 2.94Å; V253-A255 VanDerWaalsContact O-N 3.15Å
256	Q	35.5	Very low	39.8	Very low	134 Å²	134	159.6 Å²	159.6	63%	0.626	78%	0.777	S	S	*	*			trans	-82	128.7	175.6	-159.5	171.3	27.1	0	0	108.1	K254	K254-Q256 PolarHBondContact O-N 3.47Å
257	T	38.1	Very low	38.8	Very low	107 Å²	107	156.1 Å²	156.1	66%	0.656	78%	0.779	S	S	*	*			trans	-62.6	142.4	-170.1	24.4	0	0	0	0	113.2	A259	T257-A259 PolarHBondContact O-N 3.39Å
258	F	39	Very low	38.2	Very low	221 Å²	221	160.6 Å²	160.6	97%	0.969	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	29.8	-168.6	-158.8	-101.1	0	0	0	114.6
259	A	39.2	Very low	37.2	Very low	92 Å²	92	160.1 Å²	160.1	76%	0.76	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	0.6	-164.8	0	0	0	0	0	115.7	T257	T257-A259 PolarHBondContact O-N 3.39Å
260	E	40.2	Very low	36.7	Very low	152 Å²	152	169.4 Å²	169.4	71%	0.71	81%	0.805	S	S	*	*	S	Bend	trans	-137.5	32.6	-158.5	-149.3	177.2	-162.3	0	0	115.4
261	R	40.4	Very low	36.7	Very low	203 Å²	203	169.8 Å²	169.8	77%	0.766	81%	0.807	S	S	*	*			trans	-135.7	14.5	169.3	-75.8	-160.9	-169	84.4	6.7	115.8
262	R	38.2	Very low	36.5	Very low	234 Å²	234	165.8 Å²	165.8	88%	0.883	80%	0.804	S	S	*	*	S	Bend	trans	-76.8	140.4	154.2	-162.3	171.1	178.5	124	-3.2	105.9
263	E	34.6	Very low	36.8	Very low	173 Å²	173	159.5 Å²	159.5	81%	0.808	80%	0.795	S	S	*	*			trans	80	84.1	-176.7	-53	179.7	179.2	0	0	117
264	R	41.6	Very low	36.9	Very low	242 Å²	242	158.6 Å²	158.6	91%	0.913	79%	0.789	S	S	*	*			trans	178.2	74.9	145	-97.1	165.7	-162.1	-165.5	5.6	106.1
265	S	30.9	Very low	36.9	Very low	103 Å²	103	155.2 Å²	155.2	72%	0.72	79%	0.788	S	S	*	*				71.4	118.4	81.1	-59.4	0	0	0	0	113.3
266	F	30.6	Very low	37.5	Very low	197 Å²	197	159.5 Å²	159.5	86%	0.864	79%	0.793	S	S	*	*			trans	75.8	105.7	152.9	-88.2	-115.6	0	0	0	120
267	S	35.1	Very low	37.5	Very low	98 Å²	98	162.3 Å²	162.3	69%	0.685	80%	0.804	S	S	*	*				111.3	129	121.2	-63.3	0	0	0	0	120.3
268	R	35.3	Very low	37.9	Very low	237 Å²	237	162 Å²	162	89%	0.894	81%	0.812	S	S	*	*			trans	89.8	93.5	159.1	-67.5	-178.3	174	-82.4	-2.2	118.4
269	S	34.7	Very low	37.7	Very low	100 Å²	100	157.9 Å²	157.9	70%	0.699	80%	0.8	S	S	*	*			trans	-50.1	152	160	-31.4	0	0	0	0	114
270	W	33.7	Very low	37.8	Very low	259 Å²	259	160 Å²	160	98%	0.981	80%	0.804	S	S	*	*			trans	-119.3	127.3	140.6	-81.6	85.5	0	0	0	107.6
271	S	39.9	Very low	37.9	Very low	104 Å²	104	158 Å²	158	73%	0.727	81%	0.806	S	S	*	*			trans	-93.9	146.8	-175.4	-57.2	0	0	0	0	111.2
272	D	35.2	Very low	38.1	Very low	151 Å²	151	157 Å²	157	81%	0.807	81%	0.81	S	S	*	*			trans	-66.5	133	170.9	-171	16.1	0	0	0	111.5
273	P	42.2	Very low	38	Very low	113 Å²	113	153.1 Å²	153.1	73%	0.734	81%	0.807	S	S	*	*			trans	-108	107.1	170.2	33.4	-21.9	0	0	0	112.4
274	T	40.5	Very low	38.5	Very low	117 Å²	117	150.6 Å²	150.6	72%	0.718	81%	0.808	S	S	*	*			trans	-49.5	140.6	171.1	-36.2	0	0	0	0	113
275	P	35.6	Very low	38.6	Very low	126 Å²	126	149.6 Å²	149.6	82%	0.818	80%	0.804	S	S	*	*			trans	-74.5	132.9	-178.9	29.5	-35.5	0	0	0	112.7
276	M	46.6	Very low	39	Very low	186 Å²	186	151.5 Å²	151.5	92%	0.916	81%	0.806	S	S	*	*			trans	-127.2	142.5	165.5	-63.2	-144.8	82.8	0	0	111
277	K	36.6	Very low	39.5	Very low	194 Å²	194	148.2 Å²	148.2	84%	0.843	81%	0.808	S	S	*	*			trans	-79.1	154.1	178.1	-68	-175.6	172	-169.9	0	112
278	A	45.6	Very low	39.9	Very low	100 Å²	100	147.9 Å²	147.9	83%	0.826	81%	0.805	S	S	*	*			trans	-145.9	128.9	146.2	0	0	0	0	0	109.1
279	D	34.1	Very low	40.3	Very low	135 Å²	135	143 Å²	143	72%	0.722	80%	0.797	S	S	*	*			trans	-81.3	144.9	175.2	-54.3	-76.6	0	0	0	110.8
280	T	42.4	Very low	41.1	Very low	137 Å²	137	145.3 Å²	145.3	84%	0.84	80%	0.801	S	S	*	*			trans	-176.8	114.6	132.2	17.5	0	0	0	0	113.6
281	S	42.9	Very low	41.5	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	79%	0.793	S	S	*	*			trans	23.5	120.7	141.8	58.9	0	0	0	0	121.5
282	H	44.1	Very low	41.3	Very low	184 Å²	184	141.7 Å²	141.7	85%	0.852	80%	0.796	S	S	*	*				-152.1	123.1	116.3	-145.9	-69.6	0	0	0	111.8
283	D	36.6	Very low	41.2	Very low	152 Å²	152	140.6 Å²	140.6	81%	0.813	80%	0.8	S	S	*	*			trans	-74	141.5	166.3	-94.6	-63.3	0	0	0	110.6
284	S	44.3	Very low	41	Very low	120 Å²	120	143.5 Å²	143.5	84%	0.839	80%	0.803	S	S	*	*			trans	-164	149.4	133.8	50.9	0	0	0	0	110.7
285	R	44.2	Very low	40.7	Very low	221 Å²	221	144 Å²	144	83%	0.834	81%	0.81	S	S	*	*			trans	-105.3	166.7	-164.7	-133.6	-179.8	-175.4	156.3	-2.4	111.1
286	D	38.9	Very low	40.5	Very low	142 Å²	142	144 Å²	144	76%	0.759	81%	0.808	S	S	*	*			trans	63.8	105.2	155.7	-53.4	-33.3	0	0	0	118.9
287	S	40.6	Very low	40	Very low	128 Å²	128	142.5 Å²	142.5	90%	0.895	80%	0.803	S	S	*	*			trans	-150.7	119.4	134.4	-150.3	0	0	0	0	109.7
288	S	43.6	Very low	40	Very low	91 Å²	91	140.9 Å²	140.9	64%	0.636	80%	0.803	S	S	*	*			trans	-97	165.8	177.4	63.1	0	0	0	0	111.2
289	D	44.4	Very low	39.5	Very low	135 Å²	135	144.7 Å²	144.7	72%	0.722	80%	0.804	S	S	*	*			trans	62.5	102.6	157.8	-46.5	-52.3	0	0	0	117.9
290	L	50.4	Low	39.6	Very low	149 Å²	149	142.8 Å²	142.8	78%	0.78	81%	0.807	S	S	*	*				165.2	151.1	99.4	-84.4	-177.7	0	0	0	112.8
291	Q	42.5	Very low	39.9	Very low	175 Å²	175	139.8 Å²	139.8	82%	0.818	79%	0.791	S	S	*	*			trans	65.4	91.2	155.2	-67.2	163.4	10.7	0	0	119.4
292	S	36.7	Very low	40.3	Very low	112 Å²	112	142.9 Å²	142.9	78%	0.783	79%	0.793	S	S	*	*				-155.7	96.7	123.2	59.8	0	0	0	0	111.3	H294	S292-H294 PolarHBondContact O-N 3.09Å
293	S	31.7	Very low	41.1	Very low	128 Å²	128	139.4 Å²	139.4	90%	0.895	78%	0.781	S	S	*	*			trans	-74.6	97.8	167.7	53.1	0	0	0	0	109.6
294	H	39.8	Very low	42.7	Very low	173 Å²	173	136.2 Å²	136.2	80%	0.801	76%	0.764	S	S	*	*			trans	-103.8	135.1	167.3	-128.6	-90.7	0	0	0	108.8	S292 T296	S292-H294 PolarHBondContact O-N 3.09Å; H294-T296 PolarHBondContact O-N 3.38Å; H294-T296 VanDerWaalsContact O-N 3.08Å
295	C	33.2	Very low	44.5	Very low	128 Å²	128	135.3 Å²	135.3	87%	0.865	75%	0.749	S	S	*	*			trans	-65.1	109.4	-166.4	-64.5	0	0	0	0	112.7	L297	C295-L297 PolarHBondContact O-N 3.18Å
296	T	31.6	Very low	46.5	Very low	125 Å²	125	129 Å²	129	77%	0.767	73%	0.726	S	S	*	*			trans	-84.4	99.4	165.1	-37.2	0	0	0	0	108.4	H294	H294-T296 PolarHBondContact O-N 3.38Å; H294-T296 VanDerWaalsContact O-N 3.08Å
297	L	35.5	Very low	48.7	Very low	155 Å²	155	127 Å²	127	81%	0.812	72%	0.715	S	S	*	*			trans	-149.2	62.1	177.8	-153.2	173.5	0	0	0	110.1	C295	C295-L297 PolarHBondContact O-N 3.18Å
298	D	36.3	Very low	51	Low	160 Å²	160	124.2 Å²	124.2	86%	0.856	69%	0.693	S	S	*	*	S	Bend	trans	-161.6	25.4	158.8	-128.9	2.1	0	0	0	114.5
299	E	35.4	Very low	53.1	Low	180 Å²	180	121.4 Å²	121.4	84%	0.841	67%	0.67	S	S	*	*			trans	-128.6	84.5	176.7	-75.4	-167.2	133.2	0	0	111.3
300	A	37.3	Very low	55.3	Low	95 Å²	95	118.4 Å²	118.4	79%	0.785	65%	0.65	S	S	*	*			trans	-171.7	49.3	159.2	0	0	0	0	0	112.7	E302	A300-E302 PolarHBondContact O-N 2.76Å
301	C	47.2	Very low	57.2	Low	75 Å²	75	112.8 Å²	112.8	51%	0.507	63%	0.628	S	S	.	*			trans	-76	113.8	146.6	-169.2	0	0	0	0	104.9	D303 R425	C301-D303 PolarHBondContact O-N 3.07Å; C301-R425 PolarHBondContact SG-NH1 3.03Å
302	E	51.4	Low	59.5	Low	172 Å²	172	108.9 Å²	108.9	80%	0.804	61%	0.612	S	S	*	*			trans	-62.3	101.8	172.4	-67.3	-177	161.8	0	0	107.6	A300 L304	A300-E302 PolarHBondContact O-N 2.76Å; E302-L304 PolarHBondContact O-N 3.11Å
303	D	62.4	Low	62.1	Low	111 Å²	111	103.8 Å²	103.8	59%	0.594	58%	0.576	S	S	*	*			trans	-71	86.1	177	-85.3	13.3	0	0	0	107.9	C301 R425	C301-D303 PolarHBondContact O-N 3.07Å; D303-R425 IonicContact OD1-CZ 2.7Å; D303-R425 IonicContact OD1-NH1 3.42Å; D303-R425 PolarHBondContact OD1-NH1 3.11Å; D303-R425 IonicContact OD1-NH2 3.6Å; D303-R425 PolarHBondContact OD1-NH2 3Å; D303-R425 IonicContact OD2-CZ 3.2Å; D303-R425 IonicContact OD2-NH2 2.88Å; D303-R425 PolarHBondContact OD2-NH2 3.41Å
304	L	69.1	Low	65	Low	85 Å²	85	99.3 Å²	99.3	45%	0.445	55%	0.547	S	S	.	.			trans	-51.9	138.6	172.7	-75.8	165.8	0	0	0	109.7	E302 T308 E309 L312	E302-L304 PolarHBondContact O-N 3.11Å; L304-T308 HydrophobicContact CD2-CG2 4.07Å; L304-E309 HydrophobicContact CB-CG 3.73Å; L304-E309 HydrophobicContact CD1-CG 4.37Å; L304-L312 HydrophobicContact CD1-CD1 4.29Å
305	D	83	Confident	67.4	Low	101 Å²	101	97 Å²	97	54%	0.54	54%	0.538	S	S	.	.			trans	-56	142.8	173.5	173.9	45.7	0	0	0	110.8	D307 T308 E309	D305-D307 VanDerWaalsContact C-N 3.28Å; D305-D307 PolarHBondContact O-N 3.35Å; D305-T308 WeakPolarHBondContact O-CA 3.06Å; D305-T308 VanDerWaalsContact O-CB 3.28Å; D305-T308 WeakPolarHBondContact O-CB 3.5Å; D305-T308 PolarHBondContact O-N 3.33Å; D305-E309 PolarHBondContact O-N 3.22Å
306	W	85	Confident	70.1	Confident	90 Å²	90	91.9 Å²	91.9	34%	0.341	50%	0.504	S	S	.	.	H	α-helix	trans	-60.5	-38.1	-170.4	-179.6	90.9	0	0	0	112.2	T308 K310 K429 Y464	W306-T308 VanDerWaalsContact C-N 3.29Å; W306-T308 PolarHBondContact O-N 3Å; W306-K310 HydrophobicContact CE3-CD 4.21Å; W306-K310 HydrophobicContact CH2-CD 3.49Å; W306-K310 VanDerWaalsContact CH2-CD 3.49Å; W306-K310 HydrophobicContact CZ2-CD 4.13Å; W306-K310 HydrophobicContact CZ3-CD 3.52Å; W306-K310 VanDerWaalsContact O-CB 3.24Å; W306-K310 WeakPolarHBondContact O-CB 3.24Å; W306-K310 PolarHBondContact O-N 2.8Å; W306-K429 HydrophobicContact CZ2-CB 4.22Å; W306-Y464 AromaticContact CD1-CE1 3.49Å; W306-Y464 VanDerWaalsContact CD1-CE1 3.49Å; W306-Y464 AromaticContact NE1-CD1 3.84Å; W306-Y464 AromaticContact NE1-CE1 3.59Å
307	D	85.6	Confident	72.7	Confident	100 Å²	100	87 Å²	87	54%	0.535	48%	0.475	S	S	.	.	H	α-helix	trans	-69.4	-28.6	175.4	-78.2	-51.4	0	0	0	112	D305 G311	D305-D307 VanDerWaalsContact C-N 3.28Å; D305-D307 PolarHBondContact O-N 3.35Å; D307-G311 PolarHBondContact O-N 2.61Å
308	T	89.4	Confident	75.1	Confident	68 Å²	68	85.8 Å²	85.8	42%	0.417	47%	0.47	S	S	.	.	H	α-helix	trans	-71.3	-48.1	173.5	-58	0	0	0	0	111.4	L304 D305 W306 K310 G311 L312	L304-T308 HydrophobicContact CD2-CG2 4.07Å; D305-T308 WeakPolarHBondContact O-CA 3.06Å; D305-T308 VanDerWaalsContact O-CB 3.28Å; D305-T308 WeakPolarHBondContact O-CB 3.5Å; D305-T308 PolarHBondContact O-N 3.33Å; W306-T308 VanDerWaalsContact C-N 3.29Å; W306-T308 PolarHBondContact O-N 3Å; T308-K310 VanDerWaalsContact C-N 3.29Å; T308-K310 PolarHBondContact O-N 3.15Å; T308-G311 PolarHBondContact O-N 3.02Å; T308-L312 HydrophobicContact CG2-CD1 4.32Å; T308-L312 WeakPolarHBondContact O-CG 3.24Å; T308-L312 PolarHBondContact O-N 3.2Å
309	E	88.3	Confident	77.4	Confident	33 Å²	33	81.8 Å²	81.8	15%	0.154	45%	0.451	C	S	.	.	H	α-helix	trans	-58	-43.4	174.4	-73.4	-154.6	165.1	0	0	111.6	L304 D305 L312 E313 K429	L304-E309 HydrophobicContact CB-CG 3.73Å; L304-E309 HydrophobicContact CD1-CG 4.37Å; D305-E309 PolarHBondContact O-N 3.22Å; E309-L312 PolarHBondContact O-N 3.2Å; E309-E313 WeakPolarHBondContact O-CB 3.48Å; E309-E313 PolarHBondContact O-N 2.96Å; E309-K429 WeakPolarHBondContact OE2-CE 3.45Å; E309-K429 IonicContact OE2-NZ 2.8Å; E309-K429 PolarHBondContact OE2-NZ 3.31Å
310	K	89	Confident	79.9	Confident	72 Å²	72	82.5 Å²	82.5	31%	0.313	45%	0.454	S	S	.	.	H	α-helix	trans	-65	-39.4	177.8	-178.9	179.4	171.9	-163.3	0	112.5	W306 T308 E313 A314 K429 V430	W306-K310 HydrophobicContact CE3-CD 4.21Å; W306-K310 HydrophobicContact CH2-CD 3.49Å; W306-K310 VanDerWaalsContact CH2-CD 3.49Å; W306-K310 HydrophobicContact CZ2-CD 4.13Å; W306-K310 HydrophobicContact CZ3-CD 3.52Å; W306-K310 VanDerWaalsContact O-CB 3.24Å; W306-K310 WeakPolarHBondContact O-CB 3.24Å; W306-K310 PolarHBondContact O-N 2.8Å; T308-K310 VanDerWaalsContact C-N 3.29Å; T308-K310 PolarHBondContact O-N 3.15Å; K310-E313 PolarHBondContact O-N 2.95Å; K310-A314 WeakPolarHBondContact O-CB 3.32Å; K310-A314 PolarHBondContact O-N 3.5Å; K310-K429 HydrophobicContact CB-CB 3.72Å; K310-K429 HydrophobicContact CD-CB 4.28Å; K310-K429 WeakPolarHBondContact CD-O 2.87Å; K310-K429 WeakPolarHBondContact CE-O 3.49Å; K310-K429 HydrophobicContact CG-CB 3.82Å; K310-V430 HydrophobicContact CG-CG1 3.94Å; K310-V430 WeakPolarHBondContact O-CG1 3.47Å
311	G	90.9	Very high	82.3	Confident	31 Å²	31	81.7 Å²	81.7	32%	0.32	46%	0.455	S	S	.	.	H	α-helix	trans	-63.9	-43.4	174.9	0	0	0	0	0	112.4	D307 T308 A314 M315	D307-G311 PolarHBondContact O-N 2.61Å; T308-G311 PolarHBondContact O-N 3.02Å; G311-A314 PolarHBondContact O-N 3.06Å; G311-M315 WeakPolarHBondContact O-CG 2.86Å; G311-M315 PolarHBondContact O-N 3.28Å; G311-M315 VanDerWaalsContact O-N 3.08Å
312	L	91	Very high	84.4	Confident	92 Å²	92	80 Å²	80	48%	0.482	44%	0.439	S	S	.	.	H	α-helix	trans	-62.3	-44.5	174.8	-69.6	169.8	0	0	0	111.9	L304 T308 E309 M315 A316	L304-L312 HydrophobicContact CD1-CD1 4.29Å; T308-L312 HydrophobicContact CG2-CD1 4.32Å; T308-L312 WeakPolarHBondContact O-CG 3.24Å; T308-L312 PolarHBondContact O-N 3.2Å; E309-L312 PolarHBondContact O-N 3.2Å; L312-M315 HydrophobicContact CD2-CE 3.88Å; L312-M315 PolarHBondContact O-N 3.22Å; L312-A316 PolarHBondContact O-N 3.08Å
313	E	91.9	Very high	86.3	Confident	5 Å²	5	75.5 Å²	75.5	2%	0.023	42%	0.421	C	S	.	.	H	α-helix	trans	-62.8	-44.6	175.2	-175.3	-176.2	167.6	0	0	111.9	E309 K310 M315 A316 C317 K382 S428 K429 V430	E309-E313 WeakPolarHBondContact O-CB 3.48Å; E309-E313 PolarHBondContact O-N 2.96Å; K310-E313 PolarHBondContact O-N 2.95Å; E313-M315 VanDerWaalsContact C-N 3.3Å; E313-M315 PolarHBondContact O-N 3.2Å; E313-A316 WeakPolarHBondContact O-CB 3.48Å; E313-A316 PolarHBondContact O-N 3.45Å; E313-A316 VanDerWaalsContact O-N 3.1Å; E313-C317 WeakPolarHBondContact O-CB 3.15Å; E313-C317 PolarHBondContact O-N 3.44Å; E313-C317 PolarHBondContact O-SG 3.39Å; E313-K382 VanDerWaalsContact CD-CG 3.49Å; E313-K382 HydrophobicContact CG-CB 4.5Å; E313-K382 HydrophobicContact CG-CG 3.94Å; E313-K382 WeakPolarHBondContact OE1-CB 3.21Å; E313-S428 VanDerWaalsContact OE1-CA 3.25Å; E313-S428 WeakPolarHBondContact OE1-CA 3.35Å; E313-S428 WeakPolarHBondContact OE1-CB 3.3Å; E313-S428 PolarHBondContact OE1-OG 3.35Å; E313-K429 PolarHBondContact OE1-N 2.66Å; E313-K429 VanDerWaalsContact OE2-CD 3.23Å; E313-K429 WeakPolarHBondContact OE2-CD 3.36Å; E313-K429 PolarHBondContact OE2-N 3.19Å; E313-V430 HydrophobicContact CB-CG1 3.96Å; E313-V430 HydrophobicContact CG-CG1 3.89Å; E313-V430 HydrophobicContact CG-CG2 4.16Å; E313-V430 WeakPolarHBondContact OE1-CG2 3.35Å
314	A	91.5	Very high	87.8	Confident	34 Å²	34	71.9 Å²	71.9	28%	0.281	40%	0.403	S	S	.	.	H	α-helix	trans	-59.8	-41.4	178.7	0	0	0	0	0	111.7	K310 G311 A316 C317 N318 V430	K310-A314 WeakPolarHBondContact O-CB 3.32Å; K310-A314 PolarHBondContact O-N 3.5Å; G311-A314 PolarHBondContact O-N 3.06Å; A314-A316 VanDerWaalsContact C-N 3.34Å; A314-A316 PolarHBondContact O-N 3.21Å; A314-C317 PolarHBondContact O-N 2.56Å; A314-N318 PolarHBondContact O-N 2.99Å; A314-N318 VanDerWaalsContact O-N 3.14Å; A314-N318 PolarHBondContact O-ND2 2.8Å; A314-N318 PolarHBondContact O-OD1 3.4Å; A314-V430 HydrophobicContact CB-CG1 3.89Å
315	M	91.1	Very high	89.1	Confident	126 Å²	126	67.9 Å²	67.9	62%	0.621	38%	0.382	S	S	*	.	H	α-helix	trans	-64.1	-36	175.4	-71.1	-172.3	-66	0	0	113	G311 L312 E313	G311-M315 WeakPolarHBondContact O-CG 2.86Å; G311-M315 PolarHBondContact O-N 3.28Å; G311-M315 VanDerWaalsContact O-N 3.08Å; L312-M315 HydrophobicContact CD2-CE 3.88Å; L312-M315 PolarHBondContact O-N 3.22Å; E313-M315 VanDerWaalsContact C-N 3.3Å; E313-M315 PolarHBondContact O-N 3.2Å
316	A	88.9	Confident	89.8	Confident	19 Å²	19	64.5 Å²	64.5	16%	0.157	36%	0.363	C	S	.	.	H	α-helix	trans	-68.4	-47.1	174.2	0	0	0	0	0	111.7	L312 E313 A314 N318 T319 H378	L312-A316 PolarHBondContact O-N 3.08Å; E313-A316 WeakPolarHBondContact O-CB 3.48Å; E313-A316 PolarHBondContact O-N 3.45Å; E313-A316 VanDerWaalsContact O-N 3.1Å; A314-A316 VanDerWaalsContact C-N 3.34Å; A314-A316 PolarHBondContact O-N 3.21Å; A316-N318 PolarHBondContact O-N 3Å; A316-T319 PolarHBondContact O-OG1 2.9Å; A316-T319 VanDerWaalsContact O-OG1 3.1Å; A316-H378 PolarHBondContact O-CE1 3.21Å; A316-H378 PolarHBondContact O-NE2 3.24Å
317	C	86.9	Confident	90.4	Very high	22 Å²	22	60.3 Å²	60.3	15%	0.149	35%	0.347	C	S	.	.	H	α-helix	trans	-69.5	-13.4	-176.8	-64.2	0	0	0	0	114.3	E313 A314 T319 F322	E313-C317 WeakPolarHBondContact O-CB 3.15Å; E313-C317 PolarHBondContact O-N 3.44Å; E313-C317 PolarHBondContact O-SG 3.39Å; A314-C317 PolarHBondContact O-N 2.56Å; C317-T319 PolarHBondContact O-N 2.61Å; C317-F322 HydrophobicContact CB-CD1 3.89Å; C317-F322 HydrophobicContact CB-CE1 3.74Å; C317-F322 HydrophobicContact CB-CZ 4.32Å; C317-F322 WeakPolarHBondContact SG-CE1 3.34Å; C317-F322 VanDerWaalsContact SG-CZ 3.56Å
318	N	84.9	Confident	91	Very high	131 Å²	131	55.5 Å²	55.5	70%	0.701	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	13.5	177.3	-76.4	-18.2	0	0	0	114.9	A314 A316	A314-N318 PolarHBondContact O-N 2.99Å; A314-N318 VanDerWaalsContact O-N 3.14Å; A314-N318 PolarHBondContact O-ND2 2.8Å; A314-N318 PolarHBondContact O-OD1 3.4Å; A316-N318 PolarHBondContact O-N 3Å
319	T	85.5	Confident	91.4	Very high	75 Å²	75	52.4 Å²	52.4	46%	0.46	30%	0.302	S	S	.	.	S	Bend	trans	-79.2	133.8	177.3	-50.7	0	0	0	0	110.1	A316 C317 G321 F322 H378	A316-T319 PolarHBondContact O-OG1 2.9Å; A316-T319 VanDerWaalsContact O-OG1 3.1Å; C317-T319 PolarHBondContact O-N 2.61Å; T319-G321 PolarHBondContact O-N 3.39Å; T319-F322 VanDerWaalsContact O-CB 3.24Å; T319-F322 WeakPolarHBondContact O-CB 3.31Å; T319-F322 PolarHBondContact O-N 3.02Å; T319-F322 VanDerWaalsContact O-N 3.08Å; T319-H378 PolarHBondContact OG1-NE2 2.76Å
320	E	87.3	Confident	91.9	Very high	196 Å²	196	50.9 Å²	50.9	92%	0.916	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	132.7	175.4	-68.3	-172.3	172.2	0	0	111.3	F322	E320-F322 VanDerWaalsContact C-N 3.29Å; E320-F322 PolarHBondContact O-N 2.94Å
321	G	87.7	Confident	92.3	Very high	78 Å²	78	47.4 Å²	47.4	80%	0.804	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	5.2	-177.4	0	0	0	0	0	115.7	T319 L323	T319-G321 PolarHBondContact O-N 3.39Å; G321-L323 PolarHBondContact O-N 2.79Å
322	F	91.3	Very high	92.5	Very high	39 Å²	39	48.1 Å²	48.1	17%	0.171	28%	0.28	C	S	.	.			trans	-61.2	124.7	174.7	176.9	-98.5	0	0	0	111.9	C317 T319 E320 P324 Y377 H378 A381	C317-F322 HydrophobicContact CB-CD1 3.89Å; C317-F322 HydrophobicContact CB-CE1 3.74Å; C317-F322 HydrophobicContact CB-CZ 4.32Å; C317-F322 WeakPolarHBondContact SG-CE1 3.34Å; C317-F322 VanDerWaalsContact SG-CZ 3.56Å; T319-F322 VanDerWaalsContact O-CB 3.24Å; T319-F322 WeakPolarHBondContact O-CB 3.31Å; T319-F322 PolarHBondContact O-N 3.02Å; T319-F322 VanDerWaalsContact O-N 3.08Å; E320-F322 VanDerWaalsContact C-N 3.29Å; E320-F322 PolarHBondContact O-N 2.94Å; F322-P324 HydrophobicContact CE1-CB 4.48Å; F322-P324 HydrophobicContact CE1-CG 4.26Å; F322-Y377 HydrophobicContact CE2-CE1 4.13Å; F322-H378 HydrophobicContact CD2-CB 4.35Å; F322-H378 AromaticContact CD2-CD2 3.8Å; F322-H378 AromaticContact CD2-CG 3.95Å; F322-H378 HydrophobicContact CE2-CB 4.05Å; F322-H378 AromaticContact CE2-CG 3.92Å; F322-A381 HydrophobicContact CE2-CB 3.8Å; F322-A381 HydrophobicContact CZ-CB 3.96Å
323	L	92.6	Very high	92.7	Very high	78 Å²	78	47.3 Å²	47.3	41%	0.408	27%	0.272	S	S	.	.			trans	-107.4	128.6	172.1	-62.2	178.9	0	0	0	109.7	G321 P325 P349 Y377	G321-L323 PolarHBondContact O-N 2.79Å; L323-P325 WeakPolarHBondContact O-CD 3.5Å; L323-P349 HydrophobicContact CD1-CG 4.2Å; L323-Y377 PolarHBondContact O-OH 3.19Å
324	P	93.7	Very high	92.9	Very high	35 Å²	35	47.4 Å²	47.4	23%	0.227	27%	0.273	C	S	.	.			trans	-61.2	124.8	-179.7	-25.2	34.2	0	0	0	112.9	F322 W384	F322-P324 HydrophobicContact CE1-CB 4.48Å; F322-P324 HydrophobicContact CE1-CG 4.26Å; P324-W384 HydrophobicContact CB-CB 3.69Å; P324-W384 HydrophobicContact CB-CD2 4.08Å; P324-W384 HydrophobicContact CB-CE3 3.87Å; P324-W384 HydrophobicContact CB-CG 4.07Å; P324-W384 HydrophobicContact CG-CE3 4.42Å
325	P	95.9	Very high	92.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.272	C	S	.	.			trans	-55	141.9	-173.7	-27.1	29	0	0	0	116.4	L323 I352 L374 Y377 A381 K382 W384 K385	L323-P325 WeakPolarHBondContact O-CD 3.5Å; P325-I352 HydrophobicContact CB-CD1 4.17Å; P325-L374 HydrophobicContact CB-CD2 3.71Å; P325-L374 HydrophobicContact CG-CD2 3.89Å; P325-Y377 HydrophobicContact CG-CD1 3.84Å; P325-Y377 HydrophobicContact CG-CE1 3.71Å; P325-A381 HydrophobicContact CG-CB 3.87Å; P325-K382 VanDerWaalsContact CD-O 3.31Å; P325-K382 WeakPolarHBondContact CD-O 3.34Å; P325-K382 WeakPolarHBondContact CG-O 3.32Å; P325-W384 PolarHBondContact O-N 2.84Å; P325-K385 PolarHBondContact O-N 3.02Å
326	K	97.3	Very high	92.9	Very high	31 Å²	31	43.7 Å²	43.7	14%	0.135	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	91.7	175.1	-62.9	174.9	-168.5	166.2	0	110.4	D348 S350 I351 I352 K385 Y485	K326-D348 IonicContact NZ-OD2 3.44Å; K326-D348 PolarHBondContact NZ-OD2 2.89Å; K326-S350 PolarHBondContact N-O 3.24Å; K326-I351 HydrophobicContact CB-CG1 4.1Å; K326-I351 HydrophobicContact CD-CG1 4.08Å; K326-I351 WeakPolarHBondContact O-CA 3.48Å; K326-I352 PolarHBondContact O-N 3.16Å; K326-K385 CarbonylContact C-O 3.58Å; K326-K385 VanDerWaalsContact CA-O 3.23Å; K326-K385 WeakPolarHBondContact CA-O 3.44Å; K326-K385 HydrophobicContact CG-CB 4.41Å; K326-Y485 HydrophobicContact CB-CE1 4.14Å
327	V	98	Very high	93.1	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	134.4	-176	176.5	0	0	0	0	111	I352 I354 I370 L374 I383 K385 M386 L387	V327-I352 HydrophobicContact CG2-CB 4.36Å; V327-I354 HydrophobicContact CG1-CD1 4.01Å; V327-I370 HydrophobicContact CG1-CG1 4.4Å; V327-L374 HydrophobicContact CG2-CD2 4.06Å; V327-I383 HydrophobicContact CB-CD1 4.31Å; V327-I383 HydrophobicContact CB-CG1 4.47Å; V327-I383 HydrophobicContact CB-CG2 4.3Å; V327-I383 HydrophobicContact CG2-CD1 4.03Å; V327-I383 HydrophobicContact CG2-CG1 3.81Å; V327-I383 HydrophobicContact CG2-CG2 4.27Å; V327-K385 PolarHBondContact N-O 3.13Å; V327-M386 HydrophobicContact CB-CG 4.42Å; V327-M386 CarbonylContact O-C 3.56Å; V327-M386 VanDerWaalsContact O-CA 3.23Å; V327-M386 WeakPolarHBondContact O-CA 3.47Å; V327-L387 PolarHBondContact O-N 2.64Å
328	M	98.2	Very high	93.3	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	109.1	174.8	-62.2	171.4	67.4	0	0	110.4	I330 I344 I351 I352 I354 L387 Y485 F486	M328-I330 HydrophobicContact CB-CD1 4.46Å; M328-I330 HydrophobicContact CB-CG1 4.46Å; M328-I330 HydrophobicContact CE-CD1 4.45Å; M328-I344 HydrophobicContact CE-CD1 3.96Å; M328-I344 HydrophobicContact CE-CG1 3.98Å; M328-I344 HydrophobicContact SD-CD1 3.78Å; M328-I344 HydrophobicContact SD-CG1 4.08Å; M328-I351 HydrophobicContact CG-CG2 4.01Å; M328-I351 HydrophobicContact SD-CG2 3.24Å; M328-I351 WeakPolarHBondContact SD-CG2 3.38Å; M328-I352 PolarHBondContact N-O 3.32Å; M328-I354 PolarHBondContact O-N 3.44Å; M328-L387 CarbonylContact C-O 3.54Å; M328-L387 WeakPolarHBondContact CA-O 3.44Å; M328-L387 HydrophobicContact CB-CB 4.44Å; M328-L387 HydrophobicContact CE-CD2 3.81Å; M328-L387 HydrophobicContact CG-CB 4.09Å; M328-L387 HydrophobicContact CG-CD2 4.37Å; M328-Y485 HydrophobicContact CG-CD1 3.56Å; M328-Y485 HydrophobicContact CG-CE1 4.13Å; M328-Y485 HydrophobicContact CG-CG 4.3Å; M328-Y485 HydrophobicContact SD-CD1 3.91Å; M328-Y485 HydrophobicContact SD-CG 4.28Å; M328-F486 HydrophobicContact CE-CD1 4.05Å; M328-F486 HydrophobicContact CE-CE1 3.25Å; M328-F486 HydrophobicContact CE-CE2 4.16Å; M328-F486 HydrophobicContact CE-CZ 3.33Å
329	L	97.9	Very high	93.6	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	108	176	-173.2	67.5	0	0	0	109.6	I354 Y356 I366 M386 L387 F389	L329-I354 HydrophobicContact CD1-CB 4.31Å; L329-I354 HydrophobicContact CD1-CG2 4.02Å; L329-Y356 HydrophobicContact CD1-CD1 3.44Å; L329-Y356 VanDerWaalsContact CD1-CD1 3.44Å; L329-Y356 HydrophobicContact CD1-CE1 4Å; L329-Y356 HydrophobicContact CD1-CG 4.23Å; L329-Y356 HydrophobicContact CD2-CD1 4.42Å; L329-Y356 HydrophobicContact CD2-CE1 4.19Å; L329-Y356 HydrophobicContact CG-CD1 3.62Å; L329-Y356 HydrophobicContact CG-CE1 3.62Å; L329-I366 HydrophobicContact CD1-CG2 3.76Å; L329-I366 HydrophobicContact CD2-CG2 3.85Å; L329-I366 HydrophobicContact CG-CG2 4.48Å; L329-M386 HydrophobicContact CB-CE 3.79Å; L329-M386 HydrophobicContact CD2-CE 3.92Å; L329-M386 HydrophobicContact CG-CE 4.45Å; L329-L387 PolarHBondContact N-O 3.38Å; L329-F389 PolarHBondContact O-N 3.03Å
330	I	97.9	Very high	94	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.4	-170.8	-59.5	159.8	0	0	0	109.2	M328 A337 I340 P353 I354 L355 Y356	M328-I330 HydrophobicContact CB-CD1 4.46Å; M328-I330 HydrophobicContact CB-CG1 4.46Å; M328-I330 HydrophobicContact CE-CD1 4.45Å; I330-A337 HydrophobicContact CG2-CB 4.24Å; I330-I340 HydrophobicContact CD1-CB 4.33Å; I330-I340 HydrophobicContact CD1-CG2 3.66Å; I330-I340 HydrophobicContact CG1-CG2 4.44Å; I330-I340 HydrophobicContact CG2-CD1 3.72Å; I330-P353 HydrophobicContact CD1-CB 4.35Å; I330-I354 PolarHBondContact N-O 2.75Å; I330-L355 HydrophobicContact CB-CD1 4.23Å; I330-L355 HydrophobicContact CG2-CD1 3.83Å; I330-L355 WeakPolarHBondContact O-CA 3.47Å; I330-Y356 VanDerWaalsContact C-CE1 3.42Å; I330-Y356 WeakPolarHBondContact O-CD1 3.48Å; I330-Y356 WeakPolarHBondContact O-CE1 3.49Å; I330-Y356 PolarHBondContact O-N 3.43Å
331	S	97.5	Very high	94.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	137.5	178.3	-169.6	0	0	0	0	112.2	K333 V334 Y356 F389	S331-K333 PolarHBondContact O-N 3.5Å; S331-K333 PolarHBondContact OG-N 3.42Å; S331-V334 WeakPolarHBondContact O-CB 3.43Å; S331-V334 WeakPolarHBondContact O-CG2 3.47Å; S331-V334 PolarHBondContact O-N 2.84Å; S331-Y356 VanDerWaalsContact CA-CE1 3.43Å; S331-Y356 VanDerWaalsContact CB-OH 3.28Å; S331-Y356 WeakPolarHBondContact CB-OH 3.33Å; S331-Y356 PolarHBondContact OG-OH 2.7Å; S331-F389 WeakPolarHBondContact CB-O 3.31Å; S331-F389 PolarHBondContact N-O 2.89Å
332	S	96.2	Very high	94.5	Very high	45 Å²	45	28.7 Å²	28.7	32%	0.315	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-15.1	168.4	67.7	0	0	0	0	114.1	Y356 D357 H358	S332-Y356 WeakPolarHBondContact CB-O 3.45Å; S332-Y356 PolarHBondContact N-O 2.87Å; S332-D357 PolarHBondContact OG-OD1 2.83Å; S332-H358 PolarHBondContact OG-N 3.21Å
333	K	95.3	Very high	94.6	Very high	76 Å²	76	26.9 Å²	26.9	33%	0.33	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-5.6	171.9	-64.2	-59.1	-178.9	-167	0	114.5	S331 H358 E359 Q391	S331-K333 PolarHBondContact O-N 3.5Å; S331-K333 PolarHBondContact OG-N 3.42Å; K333-H358 HydrophobicContact CG-CB 3.72Å; K333-E359 WeakPolarHBondContact CE-OE1 3.27Å; K333-E359 IonicContact NZ-OE1 2.66Å; K333-E359 PolarHBondContact NZ-OE1 3.18Å; K333-Q391 HydrophobicContact CB-CG 4.17Å; K333-Q391 PolarHBondContact O-NE2 3.49Å
334	V	94.7	Very high	94.8	Very high	6 Å²	6	23.9 Å²	23.9	4%	0.036	12%	0.124	C	C	.	.	S	Bend	trans	-68.2	131.3	169	-177	0	0	0	0	108.2	S331 K336 A337 I340 F389 W494	S331-V334 WeakPolarHBondContact O-CB 3.43Å; S331-V334 WeakPolarHBondContact O-CG2 3.47Å; S331-V334 PolarHBondContact O-N 2.84Å; V334-K336 PolarHBondContact O-N 2.78Å; V334-A337 HydrophobicContact CB-CB 4.13Å; V334-A337 WeakPolarHBondContact O-CB 3.1Å; V334-A337 PolarHBondContact O-N 3.33Å; V334-I340 HydrophobicContact CB-CD1 4.21Å; V334-I340 HydrophobicContact CG1-CD1 3.69Å; V334-F389 HydrophobicContact CG1-CD1 4.41Å; V334-F389 HydrophobicContact CG1-CD2 4.2Å; V334-F389 HydrophobicContact CG1-CE1 3.99Å; V334-F389 HydrophobicContact CG1-CE2 3.74Å; V334-F389 HydrophobicContact CG1-CZ 3.64Å; V334-F389 HydrophobicContact CG2-CD2 3.7Å; V334-F389 HydrophobicContact CG2-CE2 4.03Å; V334-F389 HydrophobicContact CG2-CG 3.99Å; V334-F389 WeakPolarHBondContact CG2-O 3.19Å; V334-W494 HydrophobicContact CG1-CH2 3.74Å; V334-W494 HydrophobicContact CG1-CZ2 3.99Å
335	P	92.4	Very high	94.9	Very high	41 Å²	41	26.2 Å²	26.2	27%	0.266	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	125	-178.7	-19.9	30.7	0	0	0	110.9	A337 W494 Q498	P335-A337 VanDerWaalsContact C-N 3.34Å; P335-W494 WeakPolarHBondContact O-CZ2 3.49Å; P335-Q498 HydrophobicContact CB-CB 4.27Å; P335-Q498 HydrophobicContact CB-CG 4.35Å
336	K	90.9	Very high	94.8	Very high	42 Å²	42	35.1 Å²	35.1	18%	0.183	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	43.5	-176.1	-60.6	-163.3	-178	-158.7	0	113.1	V334 E338 Y339 W494 S500 F505	V334-K336 PolarHBondContact O-N 2.78Å; K336-E338 WeakPolarHBondContact CA-OE1 3.42Å; K336-E338 WeakPolarHBondContact CA-OE2 3.43Å; K336-E338 PolarHBondContact O-N 2.83Å; K336-Y339 HydrophobicContact CB-CD2 3.96Å; K336-Y339 HydrophobicContact CD-CD2 4.45Å; K336-Y339 PolarHBondContact O-N 3.47Å; K336-W494 PolarHBondContact O-NE1 3.31Å; K336-S500 PolarHBondContact NZ-O 3.29Å; K336-F505 HydrophobicContact CD-CD1 4.09Å; K336-F505 HydrophobicContact CD-CD2 4.11Å; K336-F505 HydrophobicContact CD-CE1 3.71Å; K336-F505 HydrophobicContact CD-CE2 3.73Å; K336-F505 HydrophobicContact CD-CG 4.25Å; K336-F505 HydrophobicContact CD-CZ 3.49Å; K336-F505 VanDerWaalsContact CD-CZ 3.49Å
337	A	93.4	Very high	94.6	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.017	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-60	-33.8	179.5	0	0	0	0	0	113	I330 V334 P335 Y339 I340 L355	I330-A337 HydrophobicContact CG2-CB 4.24Å; V334-A337 HydrophobicContact CB-CB 4.13Å; V334-A337 WeakPolarHBondContact O-CB 3.1Å; V334-A337 PolarHBondContact O-N 3.33Å; P335-A337 VanDerWaalsContact C-N 3.34Å; A337-Y339 PolarHBondContact O-N 2.93Å; A337-I340 HydrophobicContact CB-CD1 4.32Å; A337-I340 VanDerWaalsContact O-CB 3.29Å; A337-I340 WeakPolarHBondContact O-CB 3.32Å; A337-I340 WeakPolarHBondContact O-CG1 3.23Å; A337-I340 PolarHBondContact O-N 3.46Å; A337-L355 HydrophobicContact CB-CD1 3.84Å
338	E	91.1	Very high	94.5	Very high	109 Å²	109	39.8 Å²	39.8	51%	0.509	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-58	-28.1	178	64.5	-75.4	177.3	0	0	113.2	K336	K336-E338 WeakPolarHBondContact CA-OE1 3.42Å; K336-E338 WeakPolarHBondContact CA-OE2 3.43Å; K336-E338 PolarHBondContact O-N 2.83Å
339	Y	92	Very high	94.3	Very high	43 Å²	43	44.3 Å²	44.3	17%	0.169	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-87.1	-13.2	176	-66.9	-83.4	0	0	0	113.9	K336 A337 P341 T342 F505 D506 L509	K336-Y339 HydrophobicContact CB-CD2 3.96Å; K336-Y339 HydrophobicContact CD-CD2 4.45Å; K336-Y339 PolarHBondContact O-N 3.47Å; A337-Y339 PolarHBondContact O-N 2.93Å; Y339-P341 VanDerWaalsContact C-CD 3.47Å; Y339-P341 VanDerWaalsContact C-N 3.33Å; Y339-T342 PolarHBondContact O-N 3.13Å; Y339-T342 VanDerWaalsContact O-N 3.08Å; Y339-T342 PolarHBondContact O-OG1 3.49Å; Y339-F505 HydrophobicContact CD1-CB 4.29Å; Y339-F505 HydrophobicContact CD1-CD1 4.22Å; Y339-F505 HydrophobicContact CD2-CD1 4.17Å; Y339-F505 HydrophobicContact CE1-CB 3.72Å; Y339-F505 HydrophobicContact CE1-CD1 4.45Å; Y339-F505 HydrophobicContact CE2-CB 4.18Å; Y339-F505 HydrophobicContact CE2-CD1 4.38Å; Y339-F505 HydrophobicContact CE2-CG 4.48Å; Y339-F505 HydrophobicContact CG-CD1 4.07Å; Y339-D506 WeakPolarHBondContact CE1-OD1 3.16Å; Y339-D506 PolarHBondContact OH-OD1 3.33Å; Y339-L509 HydrophobicContact CD1-CD1 4.08Å; Y339-L509 HydrophobicContact CG-CD1 4.41Å
340	I	93.9	Very high	94.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-57.1	-38.9	-175.5	-66.6	177.1	0	0	0	112.8	I330 V334 A337 T342 I343 F389 F486 W494	I330-I340 HydrophobicContact CD1-CB 4.33Å; I330-I340 HydrophobicContact CD1-CG2 3.66Å; I330-I340 HydrophobicContact CG1-CG2 4.44Å; I330-I340 HydrophobicContact CG2-CD1 3.72Å; V334-I340 HydrophobicContact CB-CD1 4.21Å; V334-I340 HydrophobicContact CG1-CD1 3.69Å; A337-I340 HydrophobicContact CB-CD1 4.32Å; A337-I340 VanDerWaalsContact O-CB 3.29Å; A337-I340 WeakPolarHBondContact O-CB 3.32Å; A337-I340 WeakPolarHBondContact O-CG1 3.23Å; A337-I340 PolarHBondContact O-N 3.46Å; I340-T342 PolarHBondContact O-N 3.31Å; I340-I343 WeakPolarHBondContact O-CG1 3.38Å; I340-I343 PolarHBondContact O-N 2.83Å; I340-I343 VanDerWaalsContact O-N 3.16Å; I340-F389 HydrophobicContact CD1-CD1 4Å; I340-F389 HydrophobicContact CD1-CE1 3.86Å; I340-F486 HydrophobicContact CG2-CE1 3.66Å; I340-F486 HydrophobicContact CG2-CZ 4.39Å; I340-W494 HydrophobicContact CD1-CH2 3.94Å; I340-W494 HydrophobicContact CD1-CZ2 3.61Å; I340-W494 HydrophobicContact CG1-CH2 4.16Å; I340-W494 HydrophobicContact CG1-CZ2 3.5Å
341	P	91.9	Very high	94.1	Very high	11 Å²	11	44.9 Å²	44.9	7%	0.071	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-61.5	-25.1	177.7	-28.3	39.3	0	0	0	115.1	V101 Y339 I343	V101-P341 HydrophobicContact CB-CG 4.3Å; V101-P341 HydrophobicContact CG1-CG 3.84Å; V101-P341 HydrophobicContact CG2-CB 3.49Å; V101-P341 VanDerWaalsContact CG2-CB 3.49Å; V101-P341 HydrophobicContact CG2-CG 3.52Å; Y339-P341 VanDerWaalsContact C-CD 3.47Å; Y339-P341 VanDerWaalsContact C-N 3.33Å; P341-I343 VanDerWaalsContact C-N 3.29Å; P341-I343 PolarHBondContact O-N 3.09Å
342	T	92	Very high	94.1	Very high	41 Å²	41	45.5 Å²	45.5	25%	0.252	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-72	-24.2	178.4	68.6	0	0	0	0	113	Y339 I340 R346	Y339-T342 PolarHBondContact O-N 3.13Å; Y339-T342 VanDerWaalsContact O-N 3.08Å; Y339-T342 PolarHBondContact O-OG1 3.49Å; I340-T342 PolarHBondContact O-N 3.31Å; T342-R346 PolarHBondContact O-NH2 3.35Å
343	I	94.8	Very high	94.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-101.4	3.2	-175.8	67.7	158.6	0	0	0	113.8	I340 P341 F486 D487 L490 Y491 W494 L509	I340-I343 WeakPolarHBondContact O-CG1 3.38Å; I340-I343 PolarHBondContact O-N 2.83Å; I340-I343 VanDerWaalsContact O-N 3.16Å; P341-I343 VanDerWaalsContact C-N 3.29Å; P341-I343 PolarHBondContact O-N 3.09Å; I343-F486 HydrophobicContact CD1-CD1 4.04Å; I343-F486 HydrophobicContact CD1-CE1 4.4Å; I343-F486 HydrophobicContact CG1-CD1 4.07Å; I343-F486 WeakPolarHBondContact O-CA 3.42Å; I343-D487 PolarHBondContact O-N 3.3Å; I343-L490 HydrophobicContact CB-CB 3.74Å; I343-L490 HydrophobicContact CG2-CB 3.71Å; I343-Y491 HydrophobicContact CD1-CD2 4Å; I343-W494 HydrophobicContact CD1-CB 3.93Å; I343-W494 HydrophobicContact CD1-CD2 3.93Å; I343-W494 HydrophobicContact CD1-CE3 4.03Å; I343-W494 HydrophobicContact CD1-CG 3.88Å; I343-W494 HydrophobicContact CG2-CB 4.19Å; I343-L509 HydrophobicContact CG2-CD1 4.29Å; I343-L509 HydrophobicContact CG2-CD2 3.95Å
344	I	96.6	Very high	94.3	Very high	15 Å²	15	41.3 Å²	41.3	8%	0.077	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-68.7	150.2	173.3	-70.2	177	0	0	0	109.9	M328 R346 I351 P353 F486	M328-I344 HydrophobicContact CE-CD1 3.96Å; M328-I344 HydrophobicContact CE-CG1 3.98Å; M328-I344 HydrophobicContact SD-CD1 3.78Å; M328-I344 HydrophobicContact SD-CG1 4.08Å; I344-R346 PolarHBondContact O-N 2.94Å; I344-I351 HydrophobicContact CG2-CB 4.27Å; I344-I351 HydrophobicContact CG2-CD1 4.44Å; I344-I351 HydrophobicContact CG2-CG2 3.7Å; I344-P353 HydrophobicContact CD1-CB 3.57Å; I344-P353 HydrophobicContact CD1-CG 3.81Å; I344-F486 HydrophobicContact CG1-CD1 4.29Å; I344-F486 HydrophobicContact CG1-CE1 4.4Å
345	R	96	Very high	94.4	Very high	84 Å²	84	41.8 Å²	41.8	32%	0.317	21%	0.206	S	C	.	.			trans	-59.4	118	173.6	-73.9	-168.7	72	149.6	-1.8	110.8	D347 I351 E483 Y485 F486	R345-D347 WeakPolarHBondContact CB-OD1 3.49Å; R345-D347 IonicContact CZ-OD1 3.53Å; R345-D347 IonicContact CZ-OD2 2.63Å; R345-D347 IonicContact NE-OD1 3.45Å; R345-D347 PolarHBondContact NE-OD1 2.93Å; R345-D347 IonicContact NE-OD2 3.87Å; R345-D347 PolarHBondContact NE-OD2 3.07Å; R345-D347 IonicContact NH2-OD1 2.77Å; R345-D347 IonicContact NH2-OD2 2.78Å; R345-D347 PolarHBondContact NH2-OD2 3.1Å; R345-I351 HydrophobicContact CB-CD1 3.8Å; R345-E483 VanDerWaalsContact CD-O 3.27Å; R345-E483 WeakPolarHBondContact CD-O 3.48Å; R345-E483 PolarHBondContact NH1-O 2.97Å; R345-Y485 PolarHBondContact N-O 2.96Å; R345-Y485 VanDerWaalsContact N-O 3.11Å; R345-F486 WeakPolarHBondContact CG-O 3.4Å
346	R	93.3	Very high	94.6	Very high	188 Å²	188	39.9 Å²	39.9	71%	0.709	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-11.9	178.9	-56.1	-178.1	-167.7	164.5	4.8	112.7	T342 I344	T342-R346 PolarHBondContact O-NH2 3.35Å; I344-R346 PolarHBondContact O-N 2.94Å
347	D	93.7	Very high	94.9	Very high	107 Å²	107	39.1 Å²	39.1	57%	0.572	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.6	178.9	64.9	-57.9	0	0	0	113.8	R345	R345-D347 WeakPolarHBondContact CB-OD1 3.49Å; R345-D347 IonicContact CZ-OD1 3.53Å; R345-D347 IonicContact CZ-OD2 2.63Å; R345-D347 IonicContact NE-OD1 3.45Å; R345-D347 PolarHBondContact NE-OD1 2.93Å; R345-D347 IonicContact NE-OD2 3.87Å; R345-D347 PolarHBondContact NE-OD2 3.07Å; R345-D347 IonicContact NH2-OD1 2.77Å; R345-D347 IonicContact NH2-OD2 2.78Å; R345-D347 PolarHBondContact NH2-OD2 3.1Å
348	D	94.4	Very high	95.1	Very high	22 Å²	22	40 Å²	40	12%	0.118	20%	0.195	C	C	.	.			trans	-124.4	98.1	-179.5	-176.3	-4.6	0	0	0	111.2	K326 S350 I351	K326-D348 IonicContact NZ-OD2 3.44Å; K326-D348 PolarHBondContact NZ-OD2 2.89Å; D348-S350 PolarHBondContact O-N 2.88Å; D348-S350 VanDerWaalsContact OD1-CB 3.29Å; D348-S350 WeakPolarHBondContact OD1-CB 3.4Å; D348-S350 PolarHBondContact OD1-N 3.47Å; D348-S350 PolarHBondContact OD1-OG 2.98Å; D348-S350 PolarHBondContact OD2-OG 3.42Å; D348-I351 HydrophobicContact CB-CD1 3.81Å; D348-I351 HydrophobicContact CB-CG1 4.25Å; D348-I351 PolarHBondContact O-N 3.33Å
349	P	93.7	Very high	95.3	Very high	95 Å²	95	38.3 Å²	38.3	62%	0.617	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-7.7	-178.4	31.1	-35.8	0	0	0	113.5	L323 I351 Y377	L323-P349 HydrophobicContact CD1-CG 4.2Å; P349-I351 PolarHBondContact O-N 2.96Å; P349-Y377 VanDerWaalsContact O-CE2 3.31Å; P349-Y377 WeakPolarHBondContact O-CE2 3.46Å
350	S	95.5	Very high	95.5	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.007	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-8.7	177.1	74	0	0	0	0	113.6	K326 D348 Y377	K326-S350 PolarHBondContact N-O 3.24Å; D348-S350 PolarHBondContact O-N 2.88Å; D348-S350 VanDerWaalsContact OD1-CB 3.29Å; D348-S350 WeakPolarHBondContact OD1-CB 3.4Å; D348-S350 PolarHBondContact OD1-N 3.47Å; D348-S350 PolarHBondContact OD1-OG 2.98Å; D348-S350 PolarHBondContact OD2-OG 3.42Å; S350-Y377 WeakPolarHBondContact CB-OH 3.3Å
351	I	97.6	Very high	95.7	Very high	14 Å²	14	42.8 Å²	42.8	7%	0.072	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	117.8	-177.2	-59.4	168.3	0	0	0	110.7	K326 M328 I344 R345 D348 P349 P353	K326-I351 HydrophobicContact CB-CG1 4.1Å; K326-I351 HydrophobicContact CD-CG1 4.08Å; K326-I351 WeakPolarHBondContact O-CA 3.48Å; M328-I351 HydrophobicContact CG-CG2 4.01Å; M328-I351 HydrophobicContact SD-CG2 3.24Å; M328-I351 WeakPolarHBondContact SD-CG2 3.38Å; I344-I351 HydrophobicContact CG2-CB 4.27Å; I344-I351 HydrophobicContact CG2-CD1 4.44Å; I344-I351 HydrophobicContact CG2-CG2 3.7Å; R345-I351 HydrophobicContact CB-CD1 3.8Å; D348-I351 HydrophobicContact CB-CD1 3.81Å; D348-I351 HydrophobicContact CB-CG1 4.25Å; D348-I351 PolarHBondContact O-N 3.33Å; P349-I351 PolarHBondContact O-N 2.96Å; I351-P353 WeakPolarHBondContact O-CD 3.42Å
352	I	97.3	Very high	95.9	Very high	14 Å²	14	45.6 Å²	45.6	7%	0.072	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	98.9	-172.7	-58.8	175.7	0	0	0	109.8	P325 K326 V327 M328 K373 L374 Y377	P325-I352 HydrophobicContact CB-CD1 4.17Å; K326-I352 PolarHBondContact O-N 3.16Å; V327-I352 HydrophobicContact CG2-CB 4.36Å; M328-I352 PolarHBondContact N-O 3.32Å; I352-K373 HydrophobicContact CG2-CB 3.75Å; I352-K373 HydrophobicContact CG2-CD 4.18Å; I352-K373 HydrophobicContact CG2-CG 4.32Å; I352-L374 HydrophobicContact CD1-CD2 4.19Å; I352-Y377 HydrophobicContact CD1-CD1 4.31Å; I352-Y377 HydrophobicContact CD1-CD2 4.26Å; I352-Y377 HydrophobicContact CD1-CG 3.83Å
353	P	97.3	Very high	96.2	Very high	32 Å²	32	44.2 Å²	44.2	21%	0.208	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	138.5	175.5	29.5	-33.2	0	0	0	113.6	I330 I344 I351 K373	I330-P353 HydrophobicContact CD1-CB 4.35Å; I344-P353 HydrophobicContact CD1-CB 3.57Å; I344-P353 HydrophobicContact CD1-CG 3.81Å; I351-P353 WeakPolarHBondContact O-CD 3.42Å; P353-K373 PolarHBondContact O-NZ 2.78Å; P353-K373 VanDerWaalsContact O-NZ 3.14Å
354	I	97.6	Very high	96.3	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	112	175.3	-58.1	177.5	0	0	0	107.6	I104 V327 M328 L329 I330 E369 I370 K373	I104-I354 HydrophobicContact CD1-CG2 3.84Å; I104-I354 HydrophobicContact CG1-CG2 4.48Å; V327-I354 HydrophobicContact CG1-CD1 4.01Å; M328-I354 PolarHBondContact O-N 3.44Å; L329-I354 HydrophobicContact CD1-CB 4.31Å; L329-I354 HydrophobicContact CD1-CG2 4.02Å; I330-I354 PolarHBondContact N-O 2.75Å; I354-E369 HydrophobicContact CG2-CG 3.97Å; I354-I370 HydrophobicContact CD1-CB 4.26Å; I354-I370 HydrophobicContact CD1-CG1 3.57Å; I354-K373 HydrophobicContact CD1-CB 4.27Å; I354-K373 HydrophobicContact CD1-CG 4.04Å; I354-K373 HydrophobicContact CG1-CG 4.13Å
355	L	97.3	Very high	96.3	Very high	15 Å²	15	47.9 Å²	47.9	8%	0.079	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.8	176	177.3	63.6	0	0	0	108.4	V101 Y102 T103 I104 I330 A337	V101-L355 HydrophobicContact CG1-CB 4.45Å; V101-L355 HydrophobicContact CG1-CD2 4.15Å; Y102-L355 PolarHBondContact O-N 2.98Å; T103-L355 WeakPolarHBondContact CA-O 3.19Å; T103-L355 HydrophobicContact CG2-CD2 4.36Å; T103-L355 HydrophobicContact CG2-CG 4.49Å; I104-L355 PolarHBondContact N-O 2.91Å; I330-L355 HydrophobicContact CB-CD1 4.23Å; I330-L355 HydrophobicContact CG2-CD1 3.83Å; I330-L355 WeakPolarHBondContact O-CA 3.47Å; A337-L355 HydrophobicContact CB-CD1 3.84Å
356	Y	97.3	Very high	96.4	Very high	1 Å²	1	44 Å²	44	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	142.8	-178.5	74.2	-88.2	0	0	0	111.6	L329 I330 S331 S332 H358 I366 L399 L400	L329-Y356 HydrophobicContact CD1-CD1 3.44Å; L329-Y356 VanDerWaalsContact CD1-CD1 3.44Å; L329-Y356 HydrophobicContact CD1-CE1 4Å; L329-Y356 HydrophobicContact CD1-CG 4.23Å; L329-Y356 HydrophobicContact CD2-CD1 4.42Å; L329-Y356 HydrophobicContact CD2-CE1 4.19Å; L329-Y356 HydrophobicContact CG-CD1 3.62Å; L329-Y356 HydrophobicContact CG-CE1 3.62Å; I330-Y356 VanDerWaalsContact C-CE1 3.42Å; I330-Y356 WeakPolarHBondContact O-CD1 3.48Å; I330-Y356 WeakPolarHBondContact O-CE1 3.49Å; I330-Y356 PolarHBondContact O-N 3.43Å; S331-Y356 VanDerWaalsContact CA-CE1 3.43Å; S331-Y356 VanDerWaalsContact CB-OH 3.28Å; S331-Y356 WeakPolarHBondContact CB-OH 3.33Å; S331-Y356 PolarHBondContact OG-OH 2.7Å; S332-Y356 WeakPolarHBondContact CB-O 3.45Å; S332-Y356 PolarHBondContact N-O 2.87Å; Y356-H358 HydrophobicContact CE2-CB 4.36Å; Y356-H358 PolarHBondContact O-N 3.2Å; Y356-I366 HydrophobicContact CD1-CD1 4.48Å; Y356-I366 HydrophobicContact CD2-CD1 3.84Å; Y356-I366 HydrophobicContact CE2-CD1 4.27Å; Y356-I366 HydrophobicContact CG-CD1 3.95Å; Y356-I366 HydrophobicContact CG-CG1 4.3Å; Y356-L399 WeakPolarHBondContact CE2-O 3.27Å; Y356-L399 PolarHBondContact OH-O 3.16Å; Y356-L400 HydrophobicContact CD2-CD2 3.9Å; Y356-L400 HydrophobicContact CE2-CD2 3.84Å
357	D	97.1	Very high	96.7	Very high	26 Å²	26	35.2 Å²	35.2	14%	0.139	19%	0.189	C	C	.	.			trans	-78.9	108.8	172.4	-169.1	-0.4	0	0	0	111.4	I104 S332 E359 H360 A361	I104-D357 VanDerWaalsContact O-CB 3.23Å; I104-D357 WeakPolarHBondContact O-CB 3.5Å; I104-D357 PolarHBondContact O-N 2.96Å; S332-D357 PolarHBondContact OG-OD1 2.83Å; D357-E359 PolarHBondContact O-N 3.44Å; D357-E359 VanDerWaalsContact O-N 3.11Å; D357-E359 PolarHBondContact OD1-N 2.66Å; D357-H360 PolarHBondContact O-N 3.03Å; D357-H360 IonicContact OD2-CE1 3.19Å; D357-H360 IonicContact OD2-CG 2.64Å; D357-H360 IonicContact OD2-ND1 2.61Å; D357-H360 PolarHBondContact OD2-ND1 3.11Å; D357-A361 WeakPolarHBondContact O-CB 3.29Å; D357-A361 PolarHBondContact O-N 2.84Å
358	H	96.4	Very high	96.9	Very high	21 Å²	21	35.9 Å²	35.9	10%	0.097	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-27.6	175.1	-179.3	81.3	0	0	0	114	S332 K333 Y356 L399 K401	S332-H358 PolarHBondContact OG-N 3.21Å; K333-H358 HydrophobicContact CG-CB 3.72Å; Y356-H358 HydrophobicContact CE2-CB 4.36Å; Y356-H358 PolarHBondContact O-N 3.2Å; H358-L399 PolarHBondContact CE1-O 3.01Å; H358-L399 PolarHBondContact ND1-O 2.96Å; H358-K401 PolarHBondContact NE2-N 3.48Å; H358-K401 WeakPolarHBondContact O-CB 3.14Å; H358-K401 PolarHBondContact O-N 2.73Å
359	E	96	Very high	97	Very high	74 Å²	74	35.9 Å²	35.9	35%	0.346	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-25.9	-176.2	-63.9	-145.8	-152.6	0	0	114.9	K333 D357 K401	K333-E359 WeakPolarHBondContact CE-OE1 3.27Å; K333-E359 IonicContact NZ-OE1 2.66Å; K333-E359 PolarHBondContact NZ-OE1 3.18Å; D357-E359 PolarHBondContact O-N 3.44Å; D357-E359 VanDerWaalsContact O-N 3.11Å; D357-E359 PolarHBondContact OD1-N 2.66Å; E359-K401 HydrophobicContact CB-CD 4.02Å; E359-K401 HydrophobicContact CG-CD 4.11Å; E359-K401 WeakPolarHBondContact OE2-CE 3.21Å; E359-K401 IonicContact OE2-NZ 3.01Å; E359-K401 PolarHBondContact OE2-NZ 3.24Å
360	H	96.7	Very high	97.2	Very high	125 Å²	125	31.3 Å²	31.3	58%	0.579	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.9	-21.5	-169	-57.1	110.7	0	0	0	114.8	D357	D357-H360 PolarHBondContact O-N 3.03Å; D357-H360 IonicContact OD2-CE1 3.19Å; D357-H360 IonicContact OD2-CG 2.64Å; D357-H360 IonicContact OD2-ND1 2.61Å; D357-H360 PolarHBondContact OD2-ND1 3.11Å
361	A	96.6	Very high	97.3	Very high	11 Å²	11	33.9 Å²	33.9	9%	0.091	17%	0.17	C	C	.	.			trans	-70.8	147.3	176.7	0	0	0	0	0	111.4	I104 D357 L400	I104-A361 HydrophobicContact CG2-CB 4.14Å; D357-A361 WeakPolarHBondContact O-CB 3.29Å; D357-A361 PolarHBondContact O-N 2.84Å; A361-L400 HydrophobicContact CB-CD2 4.08Å; A361-L400 WeakPolarHBondContact O-CD1 3.32Å; A361-L400 WeakPolarHBondContact O-CD2 3.4Å
362	T	97.1	Very high	97.3	Very high	70 Å²	70	38.1 Å²	38.1	43%	0.429	19%	0.188	S	C	.	.			trans	-98.3	172.4	167.4	68.4	0	0	0	0	111	E364 D365 I366	T362-E364 VanDerWaalsContact C-N 3.28Å; T362-E364 PolarHBondContact OG1-N 3.06Å; T362-D365 VanDerWaalsContact CB-OD2 3.31Å; T362-D365 WeakPolarHBondContact CB-OD2 3.29Å; T362-D365 WeakPolarHBondContact CG2-OD2 3.35Å; T362-D365 PolarHBondContact N-OD2 2.8Å; T362-D365 VanDerWaalsContact OG1-CG 3.29Å; T362-D365 PolarHBondContact OG1-N 3.13Å; T362-D365 VanDerWaalsContact OG1-N 3.17Å; T362-D365 PolarHBondContact OG1-OD2 2.86Å; T362-I366 PolarHBondContact O-N 2.91Å
363	F	97.6	Very high	97.3	Very high	12 Å²	12	38.3 Å²	38.3	5%	0.053	19%	0.188	C	C	.	.	H	α-helix	trans	-64.2	-35.4	172.5	-74.4	-54.5	0	0	0	112.1	I366 L367 L399 L400 K403 D415 M416 F419	F363-I366 PolarHBondContact O-N 3.03Å; F363-L367 WeakPolarHBondContact O-CG 3.48Å; F363-L367 PolarHBondContact O-N 3.13Å; F363-L399 HydrophobicContact CE1-CB 4.24Å; F363-L399 HydrophobicContact CE1-CD1 4.08Å; F363-L399 HydrophobicContact CZ-CD1 4.45Å; F363-L400 HydrophobicContact CD1-CD1 3.74Å; F363-L400 HydrophobicContact CD2-CD1 4.34Å; F363-L400 HydrophobicContact CE1-CD1 3.85Å; F363-L400 HydrophobicContact CE1-CG 4.34Å; F363-L400 HydrophobicContact CE2-CD1 4.43Å; F363-L400 HydrophobicContact CG-CD1 4Å; F363-L400 HydrophobicContact CZ-CD1 4.2Å; F363-K403 HydrophobicContact CE2-CB 4.19Å; F363-K403 HydrophobicContact CE2-CD 4.18Å; F363-K403 HydrophobicContact CE2-CG 4.05Å; F363-K403 HydrophobicContact CZ-CB 4.01Å; F363-K403 HydrophobicContact CZ-CG 4.39Å; F363-D415 HydrophobicContact CD2-CB 4.26Å; F363-D415 WeakPolarHBondContact CE2-OD2 3.43Å; F363-M416 HydrophobicContact CE2-CG 3.8Å; F363-M416 HydrophobicContact CZ-CG 3.81Å; F363-F419 HydrophobicContact CB-CB 3.99Å; F363-F419 HydrophobicContact CB-CD2 3.74Å; F363-F419 HydrophobicContact CB-CG 4.13Å; F363-F419 HydrophobicContact CD1-CB 3.93Å; F363-F419 AromaticContact CD1-CD1 3.98Å; F363-F419 HydrophobicContact CD1-CD1 3.98Å; F363-F419 AromaticContact CD1-CD2 3.48Å; F363-F419 HydrophobicContact CD1-CD2 3.48Å; F363-F419 VanDerWaalsContact CD1-CD2 3.48Å; F363-F419 HydrophobicContact CD1-CE1 4.4Å; F363-F419 AromaticContact CD1-CE2 3.94Å; F363-F419 HydrophobicContact CD1-CE2 3.94Å; F363-F419 AromaticContact CD1-CG 3.49Å; F363-F419 HydrophobicContact CD1-CG 3.49Å; F363-F419 VanDerWaalsContact CD1-CG 3.49Å; F363-F419 HydrophobicContact CD1-CZ 4.38Å; F363-F419 HydrophobicContact CD2-CB 4.33Å; F363-F419 HydrophobicContact CE1-CD1 4.11Å; F363-F419 HydrophobicContact CE1-CD2 4.39Å; F363-F419 HydrophobicContact CE1-CE1 4.46Å; F363-F419 HydrophobicContact CE1-CG 4.07Å; F363-F419 HydrophobicContact CG-CB 3.84Å; F363-F419 AromaticContact CG-CD2 3.91Å; F363-F419 HydrophobicContact CG-CD2 3.91Å; F363-F419 AromaticContact CG-CG 3.9Å; F363-F419 HydrophobicContact CG-CG 3.9Å
364	E	97.4	Very high	97.3	Very high	78 Å²	78	37 Å²	37	36%	0.364	18%	0.18	S	C	.	.	H	α-helix	trans	-68.5	-43.4	176.8	-57.8	-44.9	120.2	0	0	111.9	T362 I366 L367 E368 H418	T362-E364 VanDerWaalsContact C-N 3.28Å; T362-E364 PolarHBondContact OG1-N 3.06Å; E364-I366 PolarHBondContact O-N 2.74Å; E364-L367 PolarHBondContact O-N 2.92Å; E364-E368 WeakPolarHBondContact O-CB 3.49Å; E364-E368 WeakPolarHBondContact O-CG 3.43Å; E364-E368 PolarHBondContact O-N 3.22Å; E364-H418 IonicContact OE1-CD2 2.8Å
365	D	97.3	Very high	97.2	Very high	15 Å²	15	41 Å²	41	8%	0.08	20%	0.201	C	C	.	.	H	α-helix	trans	-57.1	-35.6	175.3	-60	-71.4	0	0	0	111.8	I104 R106 T362 E369	I104-D365 HydrophobicContact CG2-CB 3.88Å; R106-D365 IonicContact CZ-OD1 2.66Å; R106-D365 IonicContact NE-OD1 2.74Å; R106-D365 PolarHBondContact NE-OD1 2.94Å; R106-D365 IonicContact NH2-OD1 2.78Å; R106-D365 PolarHBondContact NH2-OD1 2.82Å; T362-D365 VanDerWaalsContact CB-OD2 3.31Å; T362-D365 WeakPolarHBondContact CB-OD2 3.29Å; T362-D365 WeakPolarHBondContact CG2-OD2 3.35Å; T362-D365 PolarHBondContact N-OD2 2.8Å; T362-D365 VanDerWaalsContact OG1-CG 3.29Å; T362-D365 PolarHBondContact OG1-N 3.13Å; T362-D365 VanDerWaalsContact OG1-N 3.17Å; T362-D365 PolarHBondContact OG1-OD2 2.86Å; D365-E369 WeakPolarHBondContact O-CB 3.05Å; D365-E369 PolarHBondContact O-N 2.95Å; D365-E369 VanDerWaalsContact O-N 3.17Å
366	I	97.9	Very high	97.1	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.015	23%	0.226	C	C	.	.	H	α-helix	trans	-70.2	-44.2	176.2	-70.9	171.7	0	0	0	111.1	I104 L329 Y356 T362 F363 E364 I370 L400 F419	I104-I366 HydrophobicContact CD1-CG1 4.41Å; L329-I366 HydrophobicContact CD1-CG2 3.76Å; L329-I366 HydrophobicContact CD2-CG2 3.85Å; L329-I366 HydrophobicContact CG-CG2 4.48Å; Y356-I366 HydrophobicContact CD1-CD1 4.48Å; Y356-I366 HydrophobicContact CD2-CD1 3.84Å; Y356-I366 HydrophobicContact CE2-CD1 4.27Å; Y356-I366 HydrophobicContact CG-CD1 3.95Å; Y356-I366 HydrophobicContact CG-CG1 4.3Å; T362-I366 PolarHBondContact O-N 2.91Å; F363-I366 PolarHBondContact O-N 3.03Å; E364-I366 PolarHBondContact O-N 2.74Å; I366-I370 HydrophobicContact CG2-CD1 3.79Å; I366-I370 WeakPolarHBondContact O-CB 3.24Å; I366-I370 WeakPolarHBondContact O-CD1 3.47Å; I366-I370 WeakPolarHBondContact O-CG1 3.37Å; I366-I370 PolarHBondContact O-N 3.39Å; I366-L400 HydrophobicContact CD1-CD1 4.38Å; I366-L400 HydrophobicContact CD1-CD2 3.99Å; I366-L400 HydrophobicContact CD1-CG 4.39Å; I366-F419 HydrophobicContact CG2-CE2 3.97Å; I366-F419 HydrophobicContact CG2-CZ 4.45Å
367	L	98.1	Very high	97	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.016	24%	0.238	C	C	.	.	H	α-helix	trans	-66.3	-45.3	179.7	-72.1	163	0	0	0	111.6	F363 E364 E369 I370 E371 F419 R422 L423 L426	F363-L367 WeakPolarHBondContact O-CG 3.48Å; F363-L367 PolarHBondContact O-N 3.13Å; E364-L367 PolarHBondContact O-N 2.92Å; L367-E369 PolarHBondContact O-N 3.25Å; L367-I370 PolarHBondContact O-N 3.33Å; L367-E371 PolarHBondContact O-N 2.91Å; L367-F419 HydrophobicContact CD1-CD2 3.85Å; L367-F419 HydrophobicContact CD2-CD2 4.1Å; L367-F419 HydrophobicContact CD2-CE2 4.11Å; L367-F419 HydrophobicContact CG-CD2 3.84Å; L367-F419 HydrophobicContact CG-CE2 4.03Å; L367-R422 HydrophobicContact CD1-CB 3.88Å; L367-R422 HydrophobicContact CD1-CG 3.84Å; L367-R422 HydrophobicContact CD2-CB 4.17Å; L367-R422 HydrophobicContact CD2-CG 4.02Å; L367-R422 HydrophobicContact CG-CG 4.42Å; L367-L423 HydrophobicContact CD2-CB 4.13Å; L367-L426 HydrophobicContact CD2-CD1 4.19Å
368	E	97.8	Very high	96.8	Very high	121 Å²	121	49.9 Å²	49.9	57%	0.565	24%	0.241	S	C	*	.	H	α-helix	trans	-58.2	-47.1	175.4	-73.7	-178.2	-175.3	0	0	111.6	E364 I370 E371 K372	E364-E368 WeakPolarHBondContact O-CB 3.49Å; E364-E368 WeakPolarHBondContact O-CG 3.43Å; E364-E368 PolarHBondContact O-N 3.22Å; E368-I370 PolarHBondContact O-N 3.31Å; E368-E371 PolarHBondContact O-N 2.94Å; E368-K372 WeakPolarHBondContact O-CB 3.46Å; E368-K372 PolarHBondContact O-N 3.19Å
369	E	97.8	Very high	96.7	Very high	21 Å²	21	57.1 Å²	57.1	10%	0.098	27%	0.272	C	S	.	.	H	α-helix	trans	-67.9	-34.9	178.8	-170.3	63.5	-157	0	0	111.6	I104 I354 D365 L367 K372 K373	I104-E369 HydrophobicContact CD1-CB 3.69Å; I104-E369 HydrophobicContact CD1-CG 3.92Å; I104-E369 HydrophobicContact CG1-CB 4.31Å; I104-E369 HydrophobicContact CG1-CG 4.13Å; I354-E369 HydrophobicContact CG2-CG 3.97Å; D365-E369 WeakPolarHBondContact O-CB 3.05Å; D365-E369 PolarHBondContact O-N 2.95Å; D365-E369 VanDerWaalsContact O-N 3.17Å; L367-E369 PolarHBondContact O-N 3.25Å; E369-K372 IonicContact OE1-NZ 3.56Å; E369-K372 WeakPolarHBondContact OE2-CD 3.23Å; E369-K372 WeakPolarHBondContact OE2-CE 3.29Å; E369-K372 IonicContact OE2-NZ 2.69Å; E369-K372 PolarHBondContact OE2-NZ 3.12Å; E369-K373 HydrophobicContact CG-CG 4.18Å; E369-K373 WeakPolarHBondContact O-CB 3.48Å; E369-K373 WeakPolarHBondContact O-CG 3.28Å; E369-K373 PolarHBondContact O-N 3.5Å; E369-K373 WeakPolarHBondContact OE1-CE 3.48Å
370	I	98.2	Very high	96.5	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-51.3	171.5	-70.2	165.4	0	0	0	110.8	V327 I354 I366 L367 E368 K372 K373 L374 I383 M386 L423 L426	V327-I370 HydrophobicContact CG1-CG1 4.4Å; I354-I370 HydrophobicContact CD1-CB 4.26Å; I354-I370 HydrophobicContact CD1-CG1 3.57Å; I366-I370 HydrophobicContact CG2-CD1 3.79Å; I366-I370 WeakPolarHBondContact O-CB 3.24Å; I366-I370 WeakPolarHBondContact O-CD1 3.47Å; I366-I370 WeakPolarHBondContact O-CG1 3.37Å; I366-I370 PolarHBondContact O-N 3.39Å; L367-I370 PolarHBondContact O-N 3.33Å; E368-I370 PolarHBondContact O-N 3.31Å; I370-K372 PolarHBondContact O-N 2.91Å; I370-K373 PolarHBondContact O-N 3.43Å; I370-L374 HydrophobicContact CG2-CD1 3.84Å; I370-L374 HydrophobicContact CG2-CG 4.47Å; I370-L374 WeakPolarHBondContact O-CB 3.23Å; I370-L374 WeakPolarHBondContact O-CG 3.35Å; I370-L374 PolarHBondContact O-N 3.4Å; I370-I383 HydrophobicContact CG2-CD1 3.85Å; I370-M386 HydrophobicContact CD1-CE 4.07Å; I370-L423 HydrophobicContact CD1-CD1 4.17Å; I370-L426 HydrophobicContact CB-CD1 4.37Å; I370-L426 HydrophobicContact CG2-CD1 3.75Å
371	E	97.4	Very high	96.3	Very high	55 Å²	55	49.2 Å²	49.2	26%	0.257	24%	0.244	S	C	.	.	H	α-helix	trans	-60.2	-45.5	179.6	-73.5	-168.4	-162.8	0	0	111.4	L367 E368 N375 R422 L426	L367-E371 PolarHBondContact O-N 2.91Å; E368-E371 PolarHBondContact O-N 2.94Å; E371-N375 WeakPolarHBondContact O-CB 3.48Å; E371-N375 PolarHBondContact O-N 3.33Å; E371-N375 PolarHBondContact O-ND2 3.36Å; E371-R422 IonicContact OE1-CZ 2.73Å; E371-R422 IonicContact OE1-NE 2.67Å; E371-R422 PolarHBondContact OE1-NE 2.93Å; E371-R422 VanDerWaalsContact OE1-NE 3.15Å; E371-R422 IonicContact OE1-NH2 3.64Å; E371-R422 PolarHBondContact OE1-NH2 3.01Å; E371-R422 IonicContact OE2-NH2 3.72Å; E371-L426 HydrophobicContact CG-CD1 3.69Å; E371-L426 HydrophobicContact CG-CD2 3.58Å; E371-L426 HydrophobicContact CG-CG 4.29Å
372	K	97.6	Very high	96.2	Very high	103 Å²	103	51 Å²	51	45%	0.448	25%	0.25	S	C	.	.	H	α-helix	trans	-59.5	-47.7	175.8	173	-179.7	157.4	-153.5	0	112	E368 E369 I370 N375 I376	E368-K372 WeakPolarHBondContact O-CB 3.46Å; E368-K372 PolarHBondContact O-N 3.19Å; E369-K372 IonicContact OE1-NZ 3.56Å; E369-K372 WeakPolarHBondContact OE2-CD 3.23Å; E369-K372 WeakPolarHBondContact OE2-CE 3.29Å; E369-K372 IonicContact OE2-NZ 2.69Å; E369-K372 PolarHBondContact OE2-NZ 3.12Å; I370-K372 PolarHBondContact O-N 2.91Å; K372-N375 PolarHBondContact O-N 3.21Å; K372-I376 HydrophobicContact CG-CD1 3.95Å; K372-I376 VanDerWaalsContact O-CG1 3.29Å; K372-I376 WeakPolarHBondContact O-CG1 3.43Å; K372-I376 PolarHBondContact O-N 3.07Å
373	K	97.2	Very high	96.2	Very high	18 Å²	18	47.7 Å²	47.7	8%	0.078	23%	0.229	C	C	.	.	H	α-helix	trans	-65.8	-40.9	-179.7	-73.3	-84.5	-172.9	135.6	0	112.9	I352 P353 I354 E369 I370 I376 Y377	I352-K373 HydrophobicContact CG2-CB 3.75Å; I352-K373 HydrophobicContact CG2-CD 4.18Å; I352-K373 HydrophobicContact CG2-CG 4.32Å; P353-K373 PolarHBondContact O-NZ 2.78Å; P353-K373 VanDerWaalsContact O-NZ 3.14Å; I354-K373 HydrophobicContact CD1-CB 4.27Å; I354-K373 HydrophobicContact CD1-CG 4.04Å; I354-K373 HydrophobicContact CG1-CG 4.13Å; E369-K373 HydrophobicContact CG-CG 4.18Å; E369-K373 WeakPolarHBondContact O-CB 3.48Å; E369-K373 WeakPolarHBondContact O-CG 3.28Å; E369-K373 PolarHBondContact O-N 3.5Å; E369-K373 WeakPolarHBondContact OE1-CE 3.48Å; I370-K373 PolarHBondContact O-N 3.43Å; K373-I376 PolarHBondContact O-N 2.97Å; K373-Y377 PolarHBondContact O-N 2.86Å
374	L	96.7	Very high	96.1	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-46.1	173.4	-72.9	167.8	0	0	0	110.9	P325 V327 I352 I370 I376 Y377 H378 I383	P325-L374 HydrophobicContact CB-CD2 3.71Å; P325-L374 HydrophobicContact CG-CD2 3.89Å; V327-L374 HydrophobicContact CG2-CD2 4.06Å; I352-L374 HydrophobicContact CD1-CD2 4.19Å; I370-L374 HydrophobicContact CG2-CD1 3.84Å; I370-L374 HydrophobicContact CG2-CG 4.47Å; I370-L374 WeakPolarHBondContact O-CB 3.23Å; I370-L374 WeakPolarHBondContact O-CG 3.35Å; I370-L374 PolarHBondContact O-N 3.4Å; L374-I376 VanDerWaalsContact C-N 3.33Å; L374-I376 PolarHBondContact O-N 2.77Å; L374-Y377 PolarHBondContact O-N 2.81Å; L374-H378 CarbonylContact O-C 3.53Å; L374-H378 PolarHBondContact O-N 2.87Å; L374-I383 HydrophobicContact CD1-CD1 4.37Å; L374-I383 HydrophobicContact CD1-CG1 3.81Å; L374-I383 HydrophobicContact CD2-CG1 4.22Å
375	N	95.2	Very high	96	Very high	85 Å²	85	47.3 Å²	47.3	46%	0.455	23%	0.225	S	C	.	.	H	α-helix	trans	-65.5	-31.3	178.1	-77.1	-51.6	0	0	0	113.9	E371 K372	E371-N375 WeakPolarHBondContact O-CB 3.48Å; E371-N375 PolarHBondContact O-N 3.33Å; E371-N375 PolarHBondContact O-ND2 3.36Å; K372-N375 PolarHBondContact O-N 3.21Å
376	I	95.7	Very high	96.1	Very high	116 Å²	116	46.6 Å²	46.6	60%	0.595	22%	0.221	S	C	*	.	H	α-helix	trans	-69.8	-40.9	172.2	-70.3	163.9	0	0	0	111	K372 K373 L374	K372-I376 HydrophobicContact CG-CD1 3.95Å; K372-I376 VanDerWaalsContact O-CG1 3.29Å; K372-I376 WeakPolarHBondContact O-CG1 3.43Å; K372-I376 PolarHBondContact O-N 3.07Å; K373-I376 PolarHBondContact O-N 2.97Å; L374-I376 VanDerWaalsContact C-N 3.33Å; L374-I376 PolarHBondContact O-N 2.77Å
377	Y	94.8	Very high	96.1	Very high	69 Å²	69	46.5 Å²	46.5	27%	0.271	22%	0.221	S	C	.	.	H	α-helix	trans	-66.1	-55.1	177.7	172.8	-99.3	0	0	0	111.7	F322 L323 P325 P349 S350 I352 K373 L374	F322-Y377 HydrophobicContact CE2-CE1 4.13Å; L323-Y377 PolarHBondContact O-OH 3.19Å; P325-Y377 HydrophobicContact CG-CD1 3.84Å; P325-Y377 HydrophobicContact CG-CE1 3.71Å; P349-Y377 VanDerWaalsContact O-CE2 3.31Å; P349-Y377 WeakPolarHBondContact O-CE2 3.46Å; S350-Y377 WeakPolarHBondContact CB-OH 3.3Å; I352-Y377 HydrophobicContact CD1-CD1 4.31Å; I352-Y377 HydrophobicContact CD1-CD2 4.26Å; I352-Y377 HydrophobicContact CD1-CG 3.83Å; K373-Y377 PolarHBondContact O-N 2.86Å; L374-Y377 PolarHBondContact O-N 2.81Å
378	H	93.9	Very high	96.1	Very high	42 Å²	42	46.3 Å²	46.3	19%	0.194	22%	0.22	C	C	.	.	S	Bend	trans	-161.1	124.2	175	-175.3	-65.5	0	0	0	110.2	A316 T319 F322 L374 G380 A381	A316-H378 PolarHBondContact O-CE1 3.21Å; A316-H378 PolarHBondContact O-NE2 3.24Å; T319-H378 PolarHBondContact OG1-NE2 2.76Å; F322-H378 HydrophobicContact CD2-CB 4.35Å; F322-H378 AromaticContact CD2-CD2 3.8Å; F322-H378 AromaticContact CD2-CG 3.95Å; F322-H378 HydrophobicContact CE2-CB 4.05Å; F322-H378 AromaticContact CE2-CG 3.92Å; L374-H378 CarbonylContact O-C 3.53Å; L374-H378 PolarHBondContact O-N 2.87Å; H378-G380 PolarHBondContact O-N 3.44Å; H378-G380 VanDerWaalsContact O-N 3.17Å; H378-A381 HydrophobicContact CB-CB 3.95Å; H378-A381 VanDerWaalsContact O-CB 3.24Å; H378-A381 WeakPolarHBondContact O-CB 3.31Å; H378-A381 PolarHBondContact O-N 3.32Å
379	K	93.2	Very high	96.1	Very high	173 Å²	173	40.8 Å²	40.8	75%	0.752	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	116.5	-174.3	-175.4	-178.9	178.4	-178.8	0	111.5
380	G	91.8	Very high	96	Very high	29 Å²	29	39.8 Å²	39.8	30%	0.299	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.1	-6.8	-178.5	0	0	0	0	0	114.4	H378	H378-G380 PolarHBondContact O-N 3.44Å; H378-G380 VanDerWaalsContact O-N 3.17Å
381	A	93.1	Very high	95.9	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.033	21%	0.21	C	C	.	.			trans	-64.1	152.2	175.8	0	0	0	0	0	112.7	F322 P325 H378	F322-A381 HydrophobicContact CE2-CB 3.8Å; F322-A381 HydrophobicContact CZ-CB 3.96Å; P325-A381 HydrophobicContact CG-CB 3.87Å; H378-A381 HydrophobicContact CB-CB 3.95Å; H378-A381 VanDerWaalsContact O-CB 3.24Å; H378-A381 WeakPolarHBondContact O-CB 3.31Å; H378-A381 PolarHBondContact O-N 3.32Å
382	K	94.9	Very high	95.7	Very high	50 Å²	50	42.7 Å²	42.7	22%	0.217	21%	0.21	C	C	.	.			trans	-129.6	158.6	-177.1	-60.6	-66	177.7	170.2	0	110.9	E313 P325 W384 R425 L426	E313-K382 VanDerWaalsContact CD-CG 3.49Å; E313-K382 HydrophobicContact CG-CB 4.5Å; E313-K382 HydrophobicContact CG-CG 3.94Å; E313-K382 WeakPolarHBondContact OE1-CB 3.21Å; P325-K382 VanDerWaalsContact CD-O 3.31Å; P325-K382 WeakPolarHBondContact CD-O 3.34Å; P325-K382 WeakPolarHBondContact CG-O 3.32Å; K382-W384 PolarHBondContact O-N 2.8Å; K382-R425 PolarHBondContact NZ-O 2.83Å; K382-L426 WeakPolarHBondContact CA-O 3.4Å; K382-L426 WeakPolarHBondContact CB-O 3.04Å
383	I	96.2	Very high	95.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-71.5	123.8	-176	-50.3	175.9	0	0	0	109.9	V327 I370 L374 K385 M386 L423 L426 M427 S428 N435	V327-I383 HydrophobicContact CB-CD1 4.31Å; V327-I383 HydrophobicContact CB-CG1 4.47Å; V327-I383 HydrophobicContact CB-CG2 4.3Å; V327-I383 HydrophobicContact CG2-CD1 4.03Å; V327-I383 HydrophobicContact CG2-CG1 3.81Å; V327-I383 HydrophobicContact CG2-CG2 4.27Å; I370-I383 HydrophobicContact CG2-CD1 3.85Å; L374-I383 HydrophobicContact CD1-CD1 4.37Å; L374-I383 HydrophobicContact CD1-CG1 3.81Å; L374-I383 HydrophobicContact CD2-CG1 4.22Å; I383-K385 WeakPolarHBondContact CG2-O 3.49Å; I383-M386 HydrophobicContact CG2-CB 4.11Å; I383-L423 HydrophobicContact CD1-CD1 4.18Å; I383-L426 HydrophobicContact CD1-CB 4.2Å; I383-L426 WeakPolarHBondContact CG1-O 3.41Å; I383-L426 PolarHBondContact N-O 3.18Å; I383-M427 HydrophobicContact CB-CE 4.06Å; I383-M427 HydrophobicContact CB-SD 3.85Å; I383-M427 HydrophobicContact CD1-SD 4.14Å; I383-M427 HydrophobicContact CG2-CE 3.87Å; I383-M427 HydrophobicContact CG2-SD 4.08Å; I383-M427 WeakPolarHBondContact O-CA 3.2Å; I383-S428 PolarHBondContact O-N 3.21Å; I383-N435 PolarHBondContact O-OD1 3.27Å
384	W	95.1	Very high	95.6	Very high	47 Å²	47	40.2 Å²	40.2	18%	0.178	21%	0.207	C	C	.	.	S	Bend	trans	-88.8	-52	168.7	178.4	32.8	0	0	0	111.6	P324 P325 K382 N431 E433 N435 V436	P324-W384 HydrophobicContact CB-CB 3.69Å; P324-W384 HydrophobicContact CB-CD2 4.08Å; P324-W384 HydrophobicContact CB-CE3 3.87Å; P324-W384 HydrophobicContact CB-CG 4.07Å; P324-W384 HydrophobicContact CG-CE3 4.42Å; P325-W384 PolarHBondContact O-N 2.84Å; K382-W384 PolarHBondContact O-N 2.8Å; W384-N431 VanDerWaalsContact CB-ND2 3.29Å; W384-N431 WeakPolarHBondContact CB-ND2 3.2Å; W384-N431 VanDerWaalsContact CG-ND2 3.31Å; W384-E433 WeakPolarHBondContact CZ2-OE2 3.42Å; W384-N435 WeakPolarHBondContact O-CA 3.3Å; W384-N435 VanDerWaalsContact O-CB 3.31Å; W384-N435 WeakPolarHBondContact O-CB 3.35Å; W384-N435 PolarHBondContact O-OD1 2.96Å; W384-V436 PolarHBondContact O-N 2.97Å
385	K	96.8	Very high	95.5	Very high	35 Å²	35	40.2 Å²	40.2	15%	0.152	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.1	176.7	-53.2	-168.1	-178	-170.4	0	109.8	P325 K326 V327 I383 E433 V436 Y485	P325-K385 PolarHBondContact O-N 3.02Å; K326-K385 CarbonylContact C-O 3.58Å; K326-K385 VanDerWaalsContact CA-O 3.23Å; K326-K385 WeakPolarHBondContact CA-O 3.44Å; K326-K385 HydrophobicContact CG-CB 4.41Å; V327-K385 PolarHBondContact N-O 3.13Å; I383-K385 WeakPolarHBondContact CG2-O 3.49Å; K385-E433 IonicContact NZ-OE2 3.12Å; K385-V436 CarbonylContact C-O 3.49Å; K385-V436 VanDerWaalsContact CA-O 3.3Å; K385-V436 WeakPolarHBondContact CA-O 3.35Å; K385-V436 HydrophobicContact CG-CB 4.47Å; K385-Y485 WeakPolarHBondContact CB-OH 3.22Å
386	M	98	Very high	95.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.2	175.8	-162.3	-177.6	-177.5	0	0	109.8	V327 L329 I370 I383 I388 L423 V436 I437 H438 Y485	V327-M386 HydrophobicContact CB-CG 4.42Å; V327-M386 CarbonylContact O-C 3.56Å; V327-M386 VanDerWaalsContact O-CA 3.23Å; V327-M386 WeakPolarHBondContact O-CA 3.47Å; L329-M386 HydrophobicContact CB-CE 3.79Å; L329-M386 HydrophobicContact CD2-CE 3.92Å; L329-M386 HydrophobicContact CG-CE 4.45Å; I370-M386 HydrophobicContact CD1-CE 4.07Å; I383-M386 HydrophobicContact CG2-CB 4.11Å; M386-I388 HydrophobicContact CE-CD1 4.4Å; M386-I388 HydrophobicContact CE-CG1 4.06Å; M386-I388 HydrophobicContact CG-CG1 4.44Å; M386-I388 HydrophobicContact SD-CD1 4.3Å; M386-I388 HydrophobicContact SD-CG1 4.13Å; M386-L423 HydrophobicContact CE-CD1 4.28Å; M386-L423 HydrophobicContact CE-CD2 4.38Å; M386-L423 HydrophobicContact SD-CD1 4.2Å; M386-L423 HydrophobicContact SD-CD2 4.04Å; M386-V436 PolarHBondContact N-O 3.37Å; M386-I437 HydrophobicContact CB-CB 4.44Å; M386-I437 HydrophobicContact CB-CG1 3.96Å; M386-I437 HydrophobicContact CB-CG2 4.31Å; M386-I437 WeakPolarHBondContact O-CA 3.35Å; M386-I437 HydrophobicContact SD-CD1 4.25Å; M386-H438 PolarHBondContact O-N 3.4Å; M386-Y485 VanDerWaalsContact C-OH 3.31Å; M386-Y485 PolarHBondContact O-OH 3.13Å
387	L	98.3	Very high	95.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.2	164.3	-177.3	69	0	0	0	108.7	V327 M328 L329 H438 M440 Y485 F486	V327-L387 PolarHBondContact O-N 2.64Å; M328-L387 CarbonylContact C-O 3.54Å; M328-L387 WeakPolarHBondContact CA-O 3.44Å; M328-L387 HydrophobicContact CB-CB 4.44Å; M328-L387 HydrophobicContact CE-CD2 3.81Å; M328-L387 HydrophobicContact CG-CB 4.09Å; M328-L387 HydrophobicContact CG-CD2 4.37Å; L329-L387 PolarHBondContact N-O 3.38Å; L387-H438 CarbonylContact C-O 3.52Å; L387-H438 WeakPolarHBondContact CA-O 3.48Å; L387-H438 HydrophobicContact CD1-CB 3.73Å; L387-M440 HydrophobicContact CD1-CB 3.78Å; L387-M440 HydrophobicContact CD1-SD 4.1Å; L387-M440 HydrophobicContact CD2-SD 4.25Å; L387-Y485 HydrophobicContact CB-CD1 4.15Å; L387-Y485 HydrophobicContact CB-CD2 4.18Å; L387-Y485 HydrophobicContact CB-CE1 3.85Å; L387-Y485 HydrophobicContact CB-CE2 3.93Å; L387-Y485 HydrophobicContact CB-CG 4.3Å; L387-Y485 HydrophobicContact CD1-CD2 4.33Å; L387-Y485 HydrophobicContact CD1-CE2 4.19Å; L387-Y485 HydrophobicContact CD2-CD2 4.08Å; L387-Y485 HydrophobicContact CD2-CG 4.11Å; L387-Y485 HydrophobicContact CG-CD2 4.43Å; L387-Y485 HydrophobicContact CG-CE2 4.46Å; L387-F486 HydrophobicContact CD2-CE2 3.69Å; L387-F486 HydrophobicContact CD2-CZ 3.7Å
388	I	98	Very high	95.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	106.4	166.5	-58.7	177.3	0	0	0	107.2	M386 C390 L399 W420 I437 H438 I439 M440	M386-I388 HydrophobicContact CE-CD1 4.4Å; M386-I388 HydrophobicContact CE-CG1 4.06Å; M386-I388 HydrophobicContact CG-CG1 4.44Å; M386-I388 HydrophobicContact SD-CD1 4.3Å; M386-I388 HydrophobicContact SD-CG1 4.13Å; I388-C390 HydrophobicContact CG2-CB 4.45Å; I388-L399 HydrophobicContact CG2-CD2 4.02Å; I388-W420 HydrophobicContact CD1-CH2 3.79Å; I388-W420 HydrophobicContact CD1-CZ3 4.27Å; I388-I437 HydrophobicContact CD1-CG2 3.8Å; I388-I437 HydrophobicContact CG1-CG2 4.09Å; I388-H438 PolarHBondContact N-O 3.14Å; I388-I439 HydrophobicContact CB-CG1 4.43Å; I388-I439 HydrophobicContact CB-CG2 4.37Å; I388-I439 WeakPolarHBondContact O-CA 3.49Å; I388-M440 PolarHBondContact O-N 2.99Å
389	F	97.3	Very high	95.8	Very high	4 Å²	4	32 Å²	32	2%	0.018	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	99.2	176.9	-163.4	174.6	0	0	0	109.1	L329 S331 V334 I340 M440 F486 W494	L329-F389 PolarHBondContact O-N 3.03Å; S331-F389 WeakPolarHBondContact CB-O 3.31Å; S331-F389 PolarHBondContact N-O 2.89Å; V334-F389 HydrophobicContact CG1-CD1 4.41Å; V334-F389 HydrophobicContact CG1-CD2 4.2Å; V334-F389 HydrophobicContact CG1-CE1 3.99Å; V334-F389 HydrophobicContact CG1-CE2 3.74Å; V334-F389 HydrophobicContact CG1-CZ 3.64Å; V334-F389 HydrophobicContact CG2-CD2 3.7Å; V334-F389 HydrophobicContact CG2-CE2 4.03Å; V334-F389 HydrophobicContact CG2-CG 3.99Å; V334-F389 WeakPolarHBondContact CG2-O 3.19Å; I340-F389 HydrophobicContact CD1-CD1 4Å; I340-F389 HydrophobicContact CD1-CE1 3.86Å; F389-M440 HydrophobicContact CD1-SD 4.46Å; F389-M440 HydrophobicContact CD2-CB 4.25Å; F389-M440 HydrophobicContact CD2-CG 4.15Å; F389-M440 WeakPolarHBondContact CD2-O 3.29Å; F389-M440 HydrophobicContact CE1-SD 4.46Å; F389-M440 HydrophobicContact CE2-CG 4.19Å; F389-M440 HydrophobicContact CG-CB 4.46Å; F389-M440 HydrophobicContact CG-CG 4.46Å; F389-M440 HydrophobicContact CZ-CE 4.44Å; F389-F486 HydrophobicContact CD1-CZ 4.17Å; F389-F486 HydrophobicContact CE1-CZ 4.35Å; F389-W494 AromaticContact CE1-CH2 3.82Å; F389-W494 HydrophobicContact CE1-CH2 3.82Å; F389-W494 HydrophobicContact CE1-CZ3 4.1Å; F389-W494 AromaticContact CZ-CH2 3.69Å; F389-W494 HydrophobicContact CZ-CH2 3.69Å; F389-W494 AromaticContact CZ-CZ3 3.99Å; F389-W494 HydrophobicContact CZ-CZ3 3.99Å
390	C	96.8	Very high	95.9	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.007	13%	0.13	C	C	.	.			trans	-144.1	167.7	-178.4	66.5	0	0	0	0	112.1	I388 M440 G441	I388-C390 HydrophobicContact CG2-CB 4.45Å; C390-M440 PolarHBondContact N-O 3.22Å; C390-M440 VanDerWaalsContact N-O 3.13Å; C390-M440 VanDerWaalsContact O-O 3.04Å; C390-G441 CarbonylContact O-C 3.48Å
391	Q	94.9	Very high	96.1	Very high	91 Å²	91	27.4 Å²	27.4	43%	0.425	14%	0.136	S	C	.	.			trans	-76.1	158.2	171.2	-64.4	-163.9	7.2	0	0	111.1	K333 Y398	K333-Q391 HydrophobicContact CB-CG 4.17Å; K333-Q391 PolarHBondContact O-NE2 3.49Å; Q391-Y398 HydrophobicContact CB-CD2 4.26Å; Q391-Y398 WeakPolarHBondContact O-CB 3.35Å; Q391-Y398 PolarHBondContact O-N 2.61Å
392	G	95.2	Very high	96	Very high	25 Å²	25	33.9 Å²	33.9	26%	0.258	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	175.6	-159.6	-179.4	0	0	0	0	0	110.7	H396	G392-H396 WeakPolarHBondContact CA-O 3.48Å
393	G	94.8	Very high	95.9	Very high	7 Å²	7	34 Å²	34	7%	0.072	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	-168.1	173.5	0	0	0	0	0	111.4	G395 H396	G393-G395 PolarHBondContact O-N 3.49Å; G393-H396 VanDerWaalsContact CA-CE1 3.45Å; G393-H396 WeakPolarHBondContact CA-CE1 3.02Å; G393-H396 PolarHBondContact N-NE2 2.83Å; G393-H396 PolarHBondContact N-O 3.07Å; G393-H396 PolarHBondContact O-N 2.98Å
394	P	96.2	Very high	95.8	Very high	61 Å²	61	35.7 Å²	35.7	40%	0.396	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	114.5	179.6	-29.5	37.7	0	0	0	111.8	H396 Y443 N447	P394-H396 PolarHBondContact O-ND1 2.78Å; P394-H396 VanDerWaalsContact O-ND1 3.1Å; P394-Y443 WeakPolarHBondContact CA-O 3.47Å; P394-N447 HydrophobicContact CB-CB 4.09Å; P394-N447 VanDerWaalsContact CB-ND2 3.3Å; P394-N447 WeakPolarHBondContact CB-ND2 3.46Å; P394-N447 PolarHBondContact O-ND2 3.41Å
395	G	96.2	Very high	95.9	Very high	5 Å²	5	33.4 Å²	33.4	5%	0.052	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	12.4	178.8	0	0	0	0	0	117.6	G393 I444 N447	G393-G395 PolarHBondContact O-N 3.49Å; G395-I444 PolarHBondContact N-O 3.01Å; G395-N447 VanDerWaalsContact CA-OD1 3.3Å; G395-N447 WeakPolarHBondContact CA-OD1 3.35Å; G395-N447 PolarHBondContact N-OD1 2.77Å; G395-N447 VanDerWaalsContact N-OD1 3.11Å
396	H	96.3	Very high	95.9	Very high	46 Å²	46	33.2 Å²	33.2	21%	0.213	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	152.2	-179.3	66.7	-79.6	0	0	0	115	G392 G393 P394 Y398 V404 A405 T406	G392-H396 WeakPolarHBondContact CA-O 3.48Å; G393-H396 VanDerWaalsContact CA-CE1 3.45Å; G393-H396 WeakPolarHBondContact CA-CE1 3.02Å; G393-H396 PolarHBondContact N-NE2 2.83Å; G393-H396 PolarHBondContact N-O 3.07Å; G393-H396 PolarHBondContact O-N 2.98Å; P394-H396 PolarHBondContact O-ND1 2.78Å; P394-H396 VanDerWaalsContact O-ND1 3.1Å; H396-Y398 AromaticContact CD2-CE2 3.52Å; H396-Y398 AromaticContact CD2-CZ 3.46Å; H396-Y398 VanDerWaalsContact CD2-CZ 3.46Å; H396-Y398 PolarHBondContact CD2-OH 2.92Å; H396-Y398 VanDerWaalsContact CD2-OH 3.31Å; H396-Y398 AromaticContact NE2-CE2 3.51Å; H396-Y398 AromaticContact NE2-CZ 3.6Å; H396-Y398 PolarHBondContact NE2-OH 2.84Å; H396-Y398 VanDerWaalsContact NE2-OH 3.13Å; H396-V404 HydrophobicContact CB-CG1 4.13Å; H396-A405 CarbonylContact C-O 3.59Å; H396-A405 VanDerWaalsContact CA-O 3.28Å; H396-A405 WeakPolarHBondContact CA-O 3.5Å; H396-T406 HydrophobicContact CB-CG2 3.77Å
397	L	97.1	Very high	95.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.7	176.4	-65.8	175.9	0	0	0	112.1	L399 V404 A405 I439 C442 I444	L397-L399 HydrophobicContact CB-CG 4.46Å; L397-V404 CarbonylContact O-C 3.51Å; L397-V404 WeakPolarHBondContact O-CA 3.36Å; L397-A405 HydrophobicContact CB-CB 4.29Å; L397-A405 PolarHBondContact N-O 2.99Å; L397-A405 PolarHBondContact O-N 3.1Å; L397-I439 HydrophobicContact CD1-CD1 4.1Å; L397-I439 HydrophobicContact CD1-CG2 4.15Å; L397-I439 HydrophobicContact CD2-CG2 3.84Å; L397-C442 WeakPolarHBondContact CD2-SG 3.27Å; L397-I444 HydrophobicContact CD1-CD1 4.27Å; L397-I444 HydrophobicContact CD2-CD1 3.59Å; L397-I444 HydrophobicContact CD2-CG1 3.77Å; L397-I444 HydrophobicContact CG-CD1 4.16Å; L397-I444 HydrophobicContact CG-CG1 4.46Å
398	Y	95.8	Very high	95.6	Very high	89 Å²	89	38.3 Å²	38.3	35%	0.349	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	84.4	169.8	-60.2	-69.5	0	0	0	108.8	Q391 H396 V404	Q391-Y398 HydrophobicContact CB-CD2 4.26Å; Q391-Y398 WeakPolarHBondContact O-CB 3.35Å; Q391-Y398 PolarHBondContact O-N 2.61Å; H396-Y398 AromaticContact CD2-CE2 3.52Å; H396-Y398 AromaticContact CD2-CZ 3.46Å; H396-Y398 VanDerWaalsContact CD2-CZ 3.46Å; H396-Y398 PolarHBondContact CD2-OH 2.92Å; H396-Y398 VanDerWaalsContact CD2-OH 3.31Å; H396-Y398 AromaticContact NE2-CE2 3.51Å; H396-Y398 AromaticContact NE2-CZ 3.6Å; H396-Y398 PolarHBondContact NE2-OH 2.84Å; H396-Y398 VanDerWaalsContact NE2-OH 3.13Å; Y398-V404 HydrophobicContact CD1-CB 4.41Å; Y398-V404 HydrophobicContact CD1-CG1 4.02Å; Y398-V404 HydrophobicContact CD1-CG2 3.78Å; Y398-V404 HydrophobicContact CE1-CB 4.36Å; Y398-V404 HydrophobicContact CE1-CG1 3.75Å; Y398-V404 HydrophobicContact CE1-CG2 3.68Å
399	L	95.5	Very high	95.5	Very high	6 Å²	6	42 Å²	42	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-64.4	175.5	-63	175.3	0	0	0	109.4	Y356 H358 F363 I388 L397 A405 W420	Y356-L399 WeakPolarHBondContact CE2-O 3.27Å; Y356-L399 PolarHBondContact OH-O 3.16Å; H358-L399 PolarHBondContact CE1-O 3.01Å; H358-L399 PolarHBondContact ND1-O 2.96Å; F363-L399 HydrophobicContact CE1-CB 4.24Å; F363-L399 HydrophobicContact CE1-CD1 4.08Å; F363-L399 HydrophobicContact CZ-CD1 4.45Å; I388-L399 HydrophobicContact CG2-CD2 4.02Å; L397-L399 HydrophobicContact CB-CG 4.46Å; L399-A405 HydrophobicContact CD1-CB 4.16Å; L399-W420 HydrophobicContact CD1-CZ2 3.95Å
400	L	96.6	Very high	95.5	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.037	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	161.7	177	-63.9	170.5	0	0	0	110.7	Y356 A361 F363 I366 N402 K403	Y356-L400 HydrophobicContact CD2-CD2 3.9Å; Y356-L400 HydrophobicContact CE2-CD2 3.84Å; A361-L400 HydrophobicContact CB-CD2 4.08Å; A361-L400 WeakPolarHBondContact O-CD1 3.32Å; A361-L400 WeakPolarHBondContact O-CD2 3.4Å; F363-L400 HydrophobicContact CD1-CD1 3.74Å; F363-L400 HydrophobicContact CD2-CD1 4.34Å; F363-L400 HydrophobicContact CE1-CD1 3.85Å; F363-L400 HydrophobicContact CE1-CG 4.34Å; F363-L400 HydrophobicContact CE2-CD1 4.43Å; F363-L400 HydrophobicContact CG-CD1 4Å; F363-L400 HydrophobicContact CZ-CD1 4.2Å; I366-L400 HydrophobicContact CD1-CD1 4.38Å; I366-L400 HydrophobicContact CD1-CD2 3.99Å; I366-L400 HydrophobicContact CD1-CG 4.39Å; L400-N402 PolarHBondContact O-N 2.9Å; L400-K403 HydrophobicContact CB-CB 4.09Å; L400-K403 CarbonylContact O-C 3.49Å; L400-K403 PolarHBondContact O-N 3.45Å
401	K	94.3	Very high	95.3	Very high	97 Å²	97	46.3 Å²	46.3	42%	0.422	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	132.6	173.8	-175.1	172	179.3	177.3	0	109.7	H358 E359 K403	H358-K401 PolarHBondContact NE2-N 3.48Å; H358-K401 WeakPolarHBondContact O-CB 3.14Å; H358-K401 PolarHBondContact O-N 2.73Å; E359-K401 HydrophobicContact CB-CD 4.02Å; E359-K401 HydrophobicContact CG-CD 4.11Å; E359-K401 WeakPolarHBondContact OE2-CE 3.21Å; E359-K401 IonicContact OE2-NZ 3.01Å; E359-K401 PolarHBondContact OE2-NZ 3.24Å; K401-K403 PolarHBondContact O-N 2.96Å
402	N	92	Very high	95.3	Very high	141 Å²	141	49.7 Å²	49.7	75%	0.754	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	-6.8	-172.3	-51.9	-35.7	0	0	0	116.5	L400	L400-N402 PolarHBondContact O-N 2.9Å
403	K	93	Very high	95.3	Very high	52 Å²	52	50.4 Å²	50.4	23%	0.226	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	77.2	-178.9	-66.5	-70	172.8	171.7	0	111.9	F363 L400 K401 A405 E413 D415	F363-K403 HydrophobicContact CE2-CB 4.19Å; F363-K403 HydrophobicContact CE2-CD 4.18Å; F363-K403 HydrophobicContact CE2-CG 4.05Å; F363-K403 HydrophobicContact CZ-CB 4.01Å; F363-K403 HydrophobicContact CZ-CG 4.39Å; L400-K403 HydrophobicContact CB-CB 4.09Å; L400-K403 CarbonylContact O-C 3.49Å; L400-K403 PolarHBondContact O-N 3.45Å; K401-K403 PolarHBondContact O-N 2.96Å; K403-A405 PolarHBondContact O-N 3.06Å; K403-E413 IonicContact NZ-OE2 3.77Å; K403-E413 PolarHBondContact NZ-OE2 3.05Å; K403-D415 VanDerWaalsContact CD-OD2 3.24Å; K403-D415 WeakPolarHBondContact CD-OD2 3.28Å; K403-D415 WeakPolarHBondContact CE-OD2 3.23Å; K403-D415 IonicContact NZ-OD1 2.66Å; K403-D415 PolarHBondContact NZ-OD1 3.44Å; K403-D415 IonicContact NZ-OD2 2.61Å; K403-D415 PolarHBondContact NZ-OD2 3.25Å
404	V	94.5	Very high	95.4	Very high	35 Å²	35	58 Å²	58	21%	0.212	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	105	177.9	-166.8	0	0	0	0	109.8	H396 L397 Y398 T406 K409	H396-V404 HydrophobicContact CB-CG1 4.13Å; L397-V404 CarbonylContact O-C 3.51Å; L397-V404 WeakPolarHBondContact O-CA 3.36Å; Y398-V404 HydrophobicContact CD1-CB 4.41Å; Y398-V404 HydrophobicContact CD1-CG1 4.02Å; Y398-V404 HydrophobicContact CD1-CG2 3.78Å; Y398-V404 HydrophobicContact CE1-CB 4.36Å; Y398-V404 HydrophobicContact CE1-CG1 3.75Å; Y398-V404 HydrophobicContact CE1-CG2 3.68Å; V404-T406 HydrophobicContact CG1-CG2 4Å; V404-T406 PolarHBondContact O-N 3.04Å; V404-K409 VanDerWaalsContact O-CD 3.22Å; V404-K409 WeakPolarHBondContact O-CD 3.3Å
405	A	96.9	Very high	95.3	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	120.6	175.6	0	0	0	0	0	109.7	H396 L397 L399 K403 M416	H396-A405 CarbonylContact C-O 3.59Å; H396-A405 VanDerWaalsContact CA-O 3.28Å; H396-A405 WeakPolarHBondContact CA-O 3.5Å; L397-A405 HydrophobicContact CB-CB 4.29Å; L397-A405 PolarHBondContact N-O 2.99Å; L397-A405 PolarHBondContact O-N 3.1Å; L399-A405 HydrophobicContact CD1-CB 4.16Å; K403-A405 PolarHBondContact O-N 3.06Å; A405-M416 HydrophobicContact CB-SD 3.89Å
406	T	96.7	Very high	95.3	Very high	30 Å²	30	57.4 Å²	57.4	18%	0.184	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.8	176.1	70.3	0	0	0	0	108	H396 V404 A408 K409 V410	H396-T406 HydrophobicContact CB-CG2 3.77Å; V404-T406 HydrophobicContact CG1-CG2 4Å; V404-T406 PolarHBondContact O-N 3.04Å; T406-A408 PolarHBondContact O-N 3Å; T406-A408 VanDerWaalsContact O-N 3.07Å; T406-K409 HydrophobicContact CG2-CD 4.4Å; T406-K409 PolarHBondContact O-N 2.88Å; T406-K409 WeakPolarHBondContact OG1-CB 3.28Å; T406-K409 PolarHBondContact OG1-N 3.04Å; T406-V410 PolarHBondContact O-N 3.49Å
407	F	95.3	Very high	95.3	Very high	63 Å²	63	57 Å²	57	28%	0.276	28%	0.276	S	S	.	.	H	α-helix	trans	-51.8	-37.3	179.9	79.3	-83.6	0	0	0	112.5	N449 K452 L453 N456	F407-N449 HydrophobicContact CD1-CB 3.75Å; F407-N449 HydrophobicContact CE1-CB 3.88Å; F407-K452 HydrophobicContact CB-CB 3.83Å; F407-K452 HydrophobicContact CD2-CB 4.33Å; F407-K452 HydrophobicContact CD2-CD 4.29Å; F407-K452 HydrophobicContact CG-CB 4.1Å; F407-L453 HydrophobicContact CB-CB 4.19Å; F407-N456 PolarHBondContact O-ND2 3.11Å
408	A	94.9	Very high	95.2	Very high	45 Å²	45	61.6 Å²	61.6	37%	0.372	30%	0.297	S	S	.	.	H	α-helix	trans	-81	-14.6	-178.4	0	0	0	0	0	115.1	T406 K412	T406-A408 PolarHBondContact O-N 3Å; T406-A408 VanDerWaalsContact O-N 3.07Å; A408-K412 VanDerWaalsContact O-CD 3.29Å; A408-K412 WeakPolarHBondContact O-CD 3.34Å; A408-K412 WeakPolarHBondContact O-CE 3.45Å
409	K	95.7	Very high	95.3	Very high	77 Å²	77	57.5 Å²	57.5	34%	0.335	28%	0.281	S	S	.	.	H	α-helix	trans	-104.4	-36.2	-178.7	-78.3	175.7	153.3	-95.3	0	113.1	V404 T406 E411 K412 E413 M416	V404-K409 VanDerWaalsContact O-CD 3.22Å; V404-K409 WeakPolarHBondContact O-CD 3.3Å; T406-K409 HydrophobicContact CG2-CD 4.4Å; T406-K409 PolarHBondContact O-N 2.88Å; T406-K409 WeakPolarHBondContact OG1-CB 3.28Å; T406-K409 PolarHBondContact OG1-N 3.04Å; K409-E411 PolarHBondContact O-N 3.29Å; K409-K412 PolarHBondContact O-N 3.09Å; K409-E413 WeakPolarHBondContact CD-OE1 3.38Å; K409-E413 WeakPolarHBondContact CE-OE1 3.42Å; K409-E413 WeakPolarHBondContact CG-OE1 3.49Å; K409-E413 IonicContact NZ-OE1 3.65Å; K409-E413 PolarHBondContact NZ-OE1 3.45Å; K409-E413 PolarHBondContact O-N 3Å; K409-M416 HydrophobicContact CB-CE 3.82Å
410	V	96.1	Very high	95.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.9	-23.2	-171.6	78.3	0	0	0	0	113.3	T406 M416 I417 L453 N456 L457 L460	T406-V410 PolarHBondContact O-N 3.49Å; V410-M416 HydrophobicContact CG2-CB 4.4Å; V410-I417 VanDerWaalsContact O-CG1 3.27Å; V410-I417 WeakPolarHBondContact O-CG1 3.39Å; V410-L453 HydrophobicContact CB-CD1 4.37Å; V410-L453 HydrophobicContact CG1-CD1 4.04Å; V410-N456 HydrophobicContact CG1-CB 3.84Å; V410-L457 HydrophobicContact CG2-CD2 3.83Å; V410-L460 HydrophobicContact CB-CD1 4.41Å; V410-L460 HydrophobicContact CG1-CD1 4.11Å; V410-L460 HydrophobicContact CG2-CD1 3.77Å; V410-L460 WeakPolarHBondContact O-CD1 3.44Å
411	E	94.1	Very high	95.2	Very high	95 Å²	95	62.4 Å²	62.4	44%	0.444	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	8.1	174.4	-59.8	179.7	142.7	0	0	113.4	K409 N456	K409-E411 PolarHBondContact O-N 3.29Å; E411-N456 HydrophobicContact CG-CB 3.96Å; E411-N456 WeakPolarHBondContact OE1-CB 3.37Å; E411-N456 PolarHBondContact OE1-ND2 3.17Å; E411-N456 PolarHBondContact OE1-OD1 3.1Å; E411-N456 PolarHBondContact OE2-ND2 3.23Å
412	K	94.3	Very high	95.3	Very high	163 Å²	163	61.4 Å²	61.4	71%	0.709	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.7	-32	-175.1	-61.9	-167.7	-174.7	-174.1	0	115	A408 K409	A408-K412 VanDerWaalsContact O-CD 3.29Å; A408-K412 WeakPolarHBondContact O-CD 3.34Å; A408-K412 WeakPolarHBondContact O-CE 3.45Å; K409-K412 PolarHBondContact O-N 3.09Å
413	E	95.4	Very high	95.5	Very high	39 Å²	39	54.7 Å²	54.7	18%	0.182	26%	0.259	C	S	.	.			trans	-87.3	114.1	176.2	-63.8	-175.5	-136.5	0	0	108.8	K403 K409 D415 M416 I417	K403-E413 IonicContact NZ-OE2 3.77Å; K403-E413 PolarHBondContact NZ-OE2 3.05Å; K409-E413 WeakPolarHBondContact CD-OE1 3.38Å; K409-E413 WeakPolarHBondContact CE-OE1 3.42Å; K409-E413 WeakPolarHBondContact CG-OE1 3.49Å; K409-E413 IonicContact NZ-OE1 3.65Å; K409-E413 PolarHBondContact NZ-OE1 3.45Å; K409-E413 PolarHBondContact O-N 3Å; E413-D415 VanDerWaalsContact C-N 3.26Å; E413-D415 PolarHBondContact O-N 3.24Å; E413-M416 HydrophobicContact CB-CB 4.42Å; E413-M416 HydrophobicContact CB-CE 3.65Å; E413-M416 HydrophobicContact CG-CE 3.84Å; E413-M416 PolarHBondContact O-N 3.44Å; E413-M416 WeakPolarHBondContact OE1-CE 3.4Å; E413-I417 WeakPolarHBondContact O-CG1 3.47Å; E413-I417 PolarHBondContact O-N 3.01Å
414	E	96	Very high	95.5	Very high	166 Å²	166	52.4 Å²	52.4	78%	0.776	25%	0.25	S	S	*	.	H	α-helix	trans	-57.6	-36.3	-171.8	-66.5	175.4	169.4	0	0	113.1	I417 H418	E414-I417 PolarHBondContact O-N 3.43Å; E414-H418 WeakPolarHBondContact O-CB 3.27Å; E414-H418 PolarHBondContact O-N 2.97Å
415	D	94.8	Very high	95.5	Very high	54 Å²	54	53.5 Å²	53.5	29%	0.289	25%	0.25	S	S	.	.	H	α-helix	trans	-68.9	-35.9	177.3	67.2	-46.9	0	0	0	112.8	F363 K403 E413 F419	F363-D415 HydrophobicContact CD2-CB 4.26Å; F363-D415 WeakPolarHBondContact CE2-OD2 3.43Å; K403-D415 VanDerWaalsContact CD-OD2 3.24Å; K403-D415 WeakPolarHBondContact CD-OD2 3.28Å; K403-D415 WeakPolarHBondContact CE-OD2 3.23Å; K403-D415 IonicContact NZ-OD1 2.66Å; K403-D415 PolarHBondContact NZ-OD1 3.44Å; K403-D415 IonicContact NZ-OD2 2.61Å; K403-D415 PolarHBondContact NZ-OD2 3.25Å; E413-D415 VanDerWaalsContact C-N 3.26Å; E413-D415 PolarHBondContact O-N 3.24Å; D415-F419 VanDerWaalsContact O-CB 3.3Å; D415-F419 WeakPolarHBondContact O-CB 3.33Å; D415-F419 PolarHBondContact O-N 2.71Å
416	M	95.7	Very high	95.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-68.5	-41.1	170.4	-80.2	-167.1	-80.3	0	0	111.3	F363 A405 K409 V410 E413 H418 F419 W420	F363-M416 HydrophobicContact CE2-CG 3.8Å; F363-M416 HydrophobicContact CZ-CG 3.81Å; A405-M416 HydrophobicContact CB-SD 3.89Å; K409-M416 HydrophobicContact CB-CE 3.82Å; V410-M416 HydrophobicContact CG2-CB 4.4Å; E413-M416 HydrophobicContact CB-CB 4.42Å; E413-M416 HydrophobicContact CB-CE 3.65Å; E413-M416 HydrophobicContact CG-CE 3.84Å; E413-M416 PolarHBondContact O-N 3.44Å; E413-M416 WeakPolarHBondContact OE1-CE 3.4Å; M416-H418 VanDerWaalsContact C-N 3.34Å; M416-F419 PolarHBondContact O-N 3.21Å; M416-W420 PolarHBondContact O-N 3Å; M416-W420 VanDerWaalsContact O-N 3.11Å
417	I	95.9	Very high	95.3	Very high	38 Å²	38	52.4 Å²	52.4	20%	0.195	24%	0.243	C	C	.	.	H	α-helix	trans	-60.5	-46.4	175.6	-64.6	168.2	0	0	0	110.2	V410 E413 E414 K421 L460	V410-I417 VanDerWaalsContact O-CG1 3.27Å; V410-I417 WeakPolarHBondContact O-CG1 3.39Å; E413-I417 WeakPolarHBondContact O-CG1 3.47Å; E413-I417 PolarHBondContact O-N 3.01Å; E414-I417 PolarHBondContact O-N 3.43Å; I417-K421 HydrophobicContact CG2-CD 3.97Å; I417-K421 HydrophobicContact CG2-CG 4.49Å; I417-K421 WeakPolarHBondContact O-CB 3.28Å; I417-K421 WeakPolarHBondContact O-CG 3.46Å; I417-K421 PolarHBondContact O-N 2.74Å; I417-L460 HydrophobicContact CB-CD2 4.48Å; I417-L460 HydrophobicContact CG1-CD2 4.26Å; I417-L460 HydrophobicContact CG2-CD2 4.05Å
418	H	95.9	Very high	95.2	Very high	97 Å²	97	49.7 Å²	49.7	45%	0.449	23%	0.233	S	C	.	.	H	α-helix	trans	-60	-51.3	177.5	-170.2	95.6	0	0	0	110.8	E364 E414 M416 W420 K421 R422	E364-H418 IonicContact OE1-CD2 2.8Å; E414-H418 WeakPolarHBondContact O-CB 3.27Å; E414-H418 PolarHBondContact O-N 2.97Å; M416-H418 VanDerWaalsContact C-N 3.34Å; H418-W420 PolarHBondContact O-N 3.43Å; H418-K421 PolarHBondContact O-N 3.47Å; H418-R422 WeakPolarHBondContact O-CB 3.46Å; H418-R422 PolarHBondContact O-N 3.31Å
419	F	97.2	Very high	95	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.009	22%	0.218	C	C	.	.	H	α-helix	trans	-52.9	-51.5	178.8	173.8	-103.1	0	0	0	112.8	F363 I366 L367 D415 M416 R422 L423	F363-F419 HydrophobicContact CB-CB 3.99Å; F363-F419 HydrophobicContact CB-CD2 3.74Å; F363-F419 HydrophobicContact CB-CG 4.13Å; F363-F419 HydrophobicContact CD1-CB 3.93Å; F363-F419 AromaticContact CD1-CD1 3.98Å; F363-F419 HydrophobicContact CD1-CD1 3.98Å; F363-F419 AromaticContact CD1-CD2 3.48Å; F363-F419 HydrophobicContact CD1-CD2 3.48Å; F363-F419 VanDerWaalsContact CD1-CD2 3.48Å; F363-F419 HydrophobicContact CD1-CE1 4.4Å; F363-F419 AromaticContact CD1-CE2 3.94Å; F363-F419 HydrophobicContact CD1-CE2 3.94Å; F363-F419 AromaticContact CD1-CG 3.49Å; F363-F419 HydrophobicContact CD1-CG 3.49Å; F363-F419 VanDerWaalsContact CD1-CG 3.49Å; F363-F419 HydrophobicContact CD1-CZ 4.38Å; F363-F419 HydrophobicContact CD2-CB 4.33Å; F363-F419 HydrophobicContact CE1-CD1 4.11Å; F363-F419 HydrophobicContact CE1-CD2 4.39Å; F363-F419 HydrophobicContact CE1-CE1 4.46Å; F363-F419 HydrophobicContact CE1-CG 4.07Å; F363-F419 HydrophobicContact CG-CB 3.84Å; F363-F419 AromaticContact CG-CD2 3.91Å; F363-F419 HydrophobicContact CG-CD2 3.91Å; F363-F419 AromaticContact CG-CG 3.9Å; F363-F419 HydrophobicContact CG-CG 3.9Å; I366-F419 HydrophobicContact CG2-CE2 3.97Å; I366-F419 HydrophobicContact CG2-CZ 4.45Å; L367-F419 HydrophobicContact CD1-CD2 3.85Å; L367-F419 HydrophobicContact CD2-CD2 4.1Å; L367-F419 HydrophobicContact CD2-CE2 4.11Å; L367-F419 HydrophobicContact CG-CD2 3.84Å; L367-F419 HydrophobicContact CG-CE2 4.03Å; D415-F419 VanDerWaalsContact O-CB 3.3Å; D415-F419 WeakPolarHBondContact O-CB 3.33Å; D415-F419 PolarHBondContact O-N 2.71Å; M416-F419 PolarHBondContact O-N 3.21Å; F419-R422 PolarHBondContact O-N 2.63Å; F419-L423 HydrophobicContact CE1-CD2 4.15Å; F419-L423 HydrophobicContact CZ-CD2 4.1Å; F419-L423 VanDerWaalsContact O-CB 3.23Å; F419-L423 WeakPolarHBondContact O-CB 3.13Å; F419-L423 PolarHBondContact O-N 2.86Å
420	W	96.6	Very high	94.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-69.5	-34.5	-178.7	-68.7	112.1	0	0	0	112.9	I388 L399 M416 H418 L423 S424 I437 L457 L460 M461 F468	I388-W420 HydrophobicContact CD1-CH2 3.79Å; I388-W420 HydrophobicContact CD1-CZ3 4.27Å; L399-W420 HydrophobicContact CD1-CZ2 3.95Å; M416-W420 PolarHBondContact O-N 3Å; M416-W420 VanDerWaalsContact O-N 3.11Å; H418-W420 PolarHBondContact O-N 3.43Å; W420-L423 HydrophobicContact CE3-CD2 3.86Å; W420-L423 HydrophobicContact CZ3-CD2 3.79Å; W420-S424 WeakPolarHBondContact O-CB 3.47Å; W420-S424 PolarHBondContact O-N 3.33Å; W420-S424 VanDerWaalsContact O-N 3.09Å; W420-I437 HydrophobicContact CZ3-CD1 4.42Å; W420-L457 HydrophobicContact CD2-CD2 3.48Å; W420-L457 VanDerWaalsContact CD2-CD2 3.48Å; W420-L457 HydrophobicContact CE3-CD2 4.02Å; W420-L457 HydrophobicContact CG-CD2 3.86Å; W420-L457 HydrophobicContact CH2-CD2 4.07Å; W420-L457 HydrophobicContact CZ2-CD1 4.43Å; W420-L457 HydrophobicContact CZ2-CD2 3.53Å; W420-L457 HydrophobicContact CZ3-CD2 4.29Å; W420-L460 HydrophobicContact CB-CB 4.12Å; W420-M461 HydrophobicContact CE3-CG 4.48Å; W420-M461 HydrophobicContact CE3-SD 3.9Å; W420-M461 HydrophobicContact CZ3-SD 4.33Å; W420-F468 HydrophobicContact CE3-CZ 4.21Å; W420-F468 HydrophobicContact CH2-CE1 4.1Å; W420-F468 HydrophobicContact CH2-CZ 4.36Å; W420-F468 AromaticContact CZ3-CE1 3.88Å; W420-F468 HydrophobicContact CZ3-CE1 3.88Å; W420-F468 AromaticContact CZ3-CZ 3.75Å; W420-F468 HydrophobicContact CZ3-CZ 3.75Å
421	K	95	Very high	93.9	Very high	117 Å²	117	48.4 Å²	48.4	51%	0.509	22%	0.224	S	C	.	.	H	α-helix	trans	-69.7	-34.7	173.5	-77.3	-178.1	176.4	-176.3	0	113.2	I417 H418 S424	I417-K421 HydrophobicContact CG2-CD 3.97Å; I417-K421 HydrophobicContact CG2-CG 4.49Å; I417-K421 WeakPolarHBondContact O-CB 3.28Å; I417-K421 WeakPolarHBondContact O-CG 3.46Å; I417-K421 PolarHBondContact O-N 2.74Å; H418-K421 PolarHBondContact O-N 3.47Å; K421-S424 PolarHBondContact O-OG 3.19Å
422	R	95.3	Very high	93	Very high	75 Å²	75	50.2 Å²	50.2	28%	0.283	24%	0.244	S	C	.	.	H	α-helix	trans	-75.1	-44.9	176.5	-172.9	67.2	-170.1	-168.2	1.2	110.4	L367 E371 H418 F419 S424 R425	L367-R422 HydrophobicContact CD1-CB 3.88Å; L367-R422 HydrophobicContact CD1-CG 3.84Å; L367-R422 HydrophobicContact CD2-CB 4.17Å; L367-R422 HydrophobicContact CD2-CG 4.02Å; L367-R422 HydrophobicContact CG-CG 4.42Å; E371-R422 IonicContact OE1-CZ 2.73Å; E371-R422 IonicContact OE1-NE 2.67Å; E371-R422 PolarHBondContact OE1-NE 2.93Å; E371-R422 VanDerWaalsContact OE1-NE 3.15Å; E371-R422 IonicContact OE1-NH2 3.64Å; E371-R422 PolarHBondContact OE1-NH2 3.01Å; E371-R422 IonicContact OE2-NH2 3.72Å; H418-R422 WeakPolarHBondContact O-CB 3.46Å; H418-R422 PolarHBondContact O-N 3.31Å; F419-R422 PolarHBondContact O-N 2.63Å; R422-S424 PolarHBondContact O-N 2.97Å; R422-R425 WeakPolarHBondContact O-CB 3.39Å; R422-R425 PolarHBondContact O-N 3.26Å; R422-R425 VanDerWaalsContact O-N 3.13Å
423	L	96.4	Very high	92.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.5	-36.1	175	-176.9	62.4	0	0	0	112.2	L367 I370 I383 M386 F419 W420 R425 L426 M427 I437 M461	L367-L423 HydrophobicContact CD2-CB 4.13Å; I370-L423 HydrophobicContact CD1-CD1 4.17Å; I383-L423 HydrophobicContact CD1-CD1 4.18Å; M386-L423 HydrophobicContact CE-CD1 4.28Å; M386-L423 HydrophobicContact CE-CD2 4.38Å; M386-L423 HydrophobicContact SD-CD1 4.2Å; M386-L423 HydrophobicContact SD-CD2 4.04Å; F419-L423 HydrophobicContact CE1-CD2 4.15Å; F419-L423 HydrophobicContact CZ-CD2 4.1Å; F419-L423 VanDerWaalsContact O-CB 3.23Å; F419-L423 WeakPolarHBondContact O-CB 3.13Å; F419-L423 PolarHBondContact O-N 2.86Å; W420-L423 HydrophobicContact CE3-CD2 3.86Å; W420-L423 HydrophobicContact CZ3-CD2 3.79Å; L423-R425 VanDerWaalsContact C-N 3.3Å; L423-R425 PolarHBondContact O-N 3.04Å; L423-L426 WeakPolarHBondContact O-CA 3.15Å; L423-L426 WeakPolarHBondContact O-CB 3.49Å; L423-L426 PolarHBondContact O-N 3.3Å; L423-M427 PolarHBondContact O-N 3.47Å; L423-I437 HydrophobicContact CD2-CD1 4.47Å; L423-M461 HydrophobicContact CB-CE 4.34Å; L423-M461 HydrophobicContact CD2-CE 4.27Å; L423-M461 HydrophobicContact CG-CE 4.02Å
424	S	93.9	Very high	91.8	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.028	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-32.5	178.8	76.3	0	0	0	0	113.5	W420 K421 R422 L426 M427 M461 Y464	W420-S424 WeakPolarHBondContact O-CB 3.47Å; W420-S424 PolarHBondContact O-N 3.33Å; W420-S424 VanDerWaalsContact O-N 3.09Å; K421-S424 PolarHBondContact O-OG 3.19Å; R422-S424 PolarHBondContact O-N 2.97Å; S424-L426 PolarHBondContact O-N 2.64Å; S424-M427 WeakPolarHBondContact O-CB 3.48Å; S424-M427 PolarHBondContact O-N 3.29Å; S424-M461 WeakPolarHBondContact CB-O 3.43Å; S424-Y464 WeakPolarHBondContact O-CD2 3.49Å; S424-Y464 WeakPolarHBondContact OG-CD2 3.28Å
425	R	92.7	Very high	91.7	Very high	58 Å²	58	41.1 Å²	41.1	22%	0.219	21%	0.21	C	C	.	.	H	α-helix	trans	-68	-20.2	172.4	-57.6	179.7	-177.1	-146.2	-8.6	113.2	C301 D303 K382 R422 L423 K429 Y464	C301-R425 PolarHBondContact SG-NH1 3.03Å; D303-R425 IonicContact OD1-CZ 2.7Å; D303-R425 IonicContact OD1-NH1 3.42Å; D303-R425 PolarHBondContact OD1-NH1 3.11Å; D303-R425 IonicContact OD1-NH2 3.6Å; D303-R425 PolarHBondContact OD1-NH2 3Å; D303-R425 IonicContact OD2-CZ 3.2Å; D303-R425 IonicContact OD2-NH2 2.88Å; D303-R425 PolarHBondContact OD2-NH2 3.41Å; K382-R425 PolarHBondContact NZ-O 2.83Å; R422-R425 WeakPolarHBondContact O-CB 3.39Å; R422-R425 PolarHBondContact O-N 3.26Å; R422-R425 VanDerWaalsContact O-N 3.13Å; L423-R425 VanDerWaalsContact C-N 3.3Å; L423-R425 PolarHBondContact O-N 3.04Å; R425-K429 PolarHBondContact O-NZ 2.9Å; R425-Y464 HydrophobicContact CG-CE2 4.28Å
426	L	94.8	Very high	91.7	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.037	20%	0.199	C	C	.	.	H	α-helix	trans	-86.2	-13.5	175.7	-52.3	-175.4	0	0	0	112.9	L367 I370 E371 K382 I383 L423 S424	L367-L426 HydrophobicContact CD2-CD1 4.19Å; I370-L426 HydrophobicContact CB-CD1 4.37Å; I370-L426 HydrophobicContact CG2-CD1 3.75Å; E371-L426 HydrophobicContact CG-CD1 3.69Å; E371-L426 HydrophobicContact CG-CD2 3.58Å; E371-L426 HydrophobicContact CG-CG 4.29Å; K382-L426 WeakPolarHBondContact CA-O 3.4Å; K382-L426 WeakPolarHBondContact CB-O 3.04Å; I383-L426 HydrophobicContact CD1-CB 4.2Å; I383-L426 WeakPolarHBondContact CG1-O 3.41Å; I383-L426 PolarHBondContact N-O 3.18Å; L423-L426 WeakPolarHBondContact O-CA 3.15Å; L423-L426 WeakPolarHBondContact O-CB 3.49Å; L423-L426 PolarHBondContact O-N 3.3Å; S424-L426 PolarHBondContact O-N 2.64Å
427	M	95.2	Very high	91.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-75.4	151.8	171.9	-49.4	-58.4	-61.4	0	0	111	I383 L423 S424 K429 N435 I437 M461 V466	I383-M427 HydrophobicContact CB-CE 4.06Å; I383-M427 HydrophobicContact CB-SD 3.85Å; I383-M427 HydrophobicContact CD1-SD 4.14Å; I383-M427 HydrophobicContact CG2-CE 3.87Å; I383-M427 HydrophobicContact CG2-SD 4.08Å; I383-M427 WeakPolarHBondContact O-CA 3.2Å; L423-M427 PolarHBondContact O-N 3.47Å; S424-M427 WeakPolarHBondContact O-CB 3.48Å; S424-M427 PolarHBondContact O-N 3.29Å; M427-K429 WeakPolarHBondContact O-CE 3.44Å; M427-K429 PolarHBondContact O-NZ 2.83Å; M427-N435 HydrophobicContact CE-CB 3.63Å; M427-I437 HydrophobicContact CE-CD1 4.38Å; M427-I437 HydrophobicContact CE-CG1 4.13Å; M427-I437 HydrophobicContact SD-CD1 4.35Å; M427-M461 HydrophobicContact CG-CE 3.81Å; M427-M461 HydrophobicContact SD-CE 4.3Å; M427-V466 HydrophobicContact CB-CG2 4.28Å; M427-V466 HydrophobicContact CE-CG2 4.39Å; M427-V466 HydrophobicContact CG-CG2 3.85Å
428	S	93.8	Very high	91.9	Very high	7 Å²	7	38 Å²	38	5%	0.049	19%	0.193	C	C	.	.			trans	-71.4	148.6	-176.9	176.4	0	0	0	0	114.2	E313 I383 V430 N431 N435	E313-S428 VanDerWaalsContact OE1-CA 3.25Å; E313-S428 WeakPolarHBondContact OE1-CA 3.35Å; E313-S428 WeakPolarHBondContact OE1-CB 3.3Å; E313-S428 PolarHBondContact OE1-OG 3.35Å; I383-S428 PolarHBondContact O-N 3.21Å; S428-V430 PolarHBondContact OG-N 3.38Å; S428-N431 WeakPolarHBondContact CB-ND2 3.31Å; S428-N431 PolarHBondContact OG-N 3.4Å; S428-N431 PolarHBondContact OG-ND2 3.48Å; S428-N435 PolarHBondContact O-ND2 3.09Å
429	K	90.3	Very high	92	Very high	15 Å²	15	33.3 Å²	33.3	7%	0.065	17%	0.172	C	C	.	.	S	Bend	trans	-110.3	-8.1	173.4	-59.3	89.1	-179.4	-176.7	0	113.3	W306 E309 K310 E313 R425 M427 Y464	W306-K429 HydrophobicContact CZ2-CB 4.22Å; E309-K429 WeakPolarHBondContact OE2-CE 3.45Å; E309-K429 IonicContact OE2-NZ 2.8Å; E309-K429 PolarHBondContact OE2-NZ 3.31Å; K310-K429 HydrophobicContact CB-CB 3.72Å; K310-K429 HydrophobicContact CD-CB 4.28Å; K310-K429 WeakPolarHBondContact CD-O 2.87Å; K310-K429 WeakPolarHBondContact CE-O 3.49Å; K310-K429 HydrophobicContact CG-CB 3.82Å; E313-K429 PolarHBondContact OE1-N 2.66Å; E313-K429 VanDerWaalsContact OE2-CD 3.23Å; E313-K429 WeakPolarHBondContact OE2-CD 3.36Å; E313-K429 PolarHBondContact OE2-N 3.19Å; R425-K429 PolarHBondContact O-NZ 2.9Å; M427-K429 WeakPolarHBondContact O-CE 3.44Å; M427-K429 PolarHBondContact O-NZ 2.83Å; K429-Y464 HydrophobicContact CD-CD1 4.43Å; K429-Y464 HydrophobicContact CD-CE1 4.14Å; K429-Y464 HydrophobicContact CG-CD1 4.01Å; K429-Y464 HydrophobicContact CG-CE1 3.87Å
430	V	88.1	Confident	91.9	Very high	46 Å²	46	33.4 Å²	33.4	28%	0.279	17%	0.172	S	C	.	.	S	Bend	trans	-103.7	-18.9	-172.5	-53.6	0	0	0	0	114.3	K310 E313 A314 S428	K310-V430 HydrophobicContact CG-CG1 3.94Å; K310-V430 WeakPolarHBondContact O-CG1 3.47Å; E313-V430 HydrophobicContact CB-CG1 3.96Å; E313-V430 HydrophobicContact CG-CG1 3.89Å; E313-V430 HydrophobicContact CG-CG2 4.16Å; E313-V430 WeakPolarHBondContact OE1-CG2 3.35Å; A314-V430 HydrophobicContact CB-CG1 3.89Å; S428-V430 PolarHBondContact OG-N 3.38Å
431	N	80.8	Confident	91.7	Very high	34 Å²	34	35 Å²	35	18%	0.182	19%	0.189	C	C	.	.			trans	-64.1	141.8	-176.8	-70.1	-40	0	0	0	112.6	W384 S428 N435	W384-N431 VanDerWaalsContact CB-ND2 3.29Å; W384-N431 WeakPolarHBondContact CB-ND2 3.2Å; W384-N431 VanDerWaalsContact CG-ND2 3.31Å; S428-N431 WeakPolarHBondContact CB-ND2 3.31Å; S428-N431 PolarHBondContact OG-N 3.4Å; S428-N431 PolarHBondContact OG-ND2 3.48Å; N431-N435 PolarHBondContact ND2-OD1 3.11Å
432	P	74.4	Confident	91.6	Very high	133 Å²	133	30.6 Å²	30.6	86%	0.864	17%	0.173	S	C	*	.	S	Bend	trans	-73.6	-30.2	177.7	29.8	-34.9	0	0	0	112.5
433	E	80.4	Confident	91.5	Very high	103 Å²	103	32.5 Å²	32.5	48%	0.481	18%	0.181	S	C	.	.	S	Bend	trans	-88.9	148.5	172.4	-68.7	-171.9	172	0	0	110.8	W384 K385	W384-E433 WeakPolarHBondContact CZ2-OE2 3.42Å; K385-E433 IonicContact NZ-OE2 3.12Å
434	P	85.5	Confident	91.4	Very high	68 Å²	68	32.5 Å²	32.5	44%	0.442	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-60.2	146.8	171.3	28.7	-35.7	0	0	0	110.8	T467	P434-T467 HydrophobicContact CB-CG2 4.19Å; P434-T467 HydrophobicContact CG-CG2 4.28Å
435	N	93	Very high	91.5	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.032	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	138.1	177.1	-56.2	-55.3	0	0	0	109.8	I383 W384 M427 S428 N431 K465 V466 T467	I383-N435 PolarHBondContact O-OD1 3.27Å; W384-N435 WeakPolarHBondContact O-CA 3.3Å; W384-N435 VanDerWaalsContact O-CB 3.31Å; W384-N435 WeakPolarHBondContact O-CB 3.35Å; W384-N435 PolarHBondContact O-OD1 2.96Å; M427-N435 HydrophobicContact CE-CB 3.63Å; S428-N435 PolarHBondContact O-ND2 3.09Å; N431-N435 PolarHBondContact ND2-OD1 3.11Å; N435-K465 PolarHBondContact N-O 3.25Å; N435-V466 HydrophobicContact CB-CG2 4.4Å; N435-V466 CarbonylContact O-C 3.54Å; N435-V466 WeakPolarHBondContact O-CA 3.31Å; N435-T467 PolarHBondContact O-N 2.98Å; N435-T467 PolarHBondContact O-OG1 3.5Å
436	V	95.8	Very high	91.5	Very high	11 Å²	11	33.9 Å²	33.9	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.3	-174	-169.9	0	0	0	0	110.7	W384 K385 M386 E469	W384-V436 PolarHBondContact O-N 2.97Å; K385-V436 CarbonylContact C-O 3.49Å; K385-V436 VanDerWaalsContact CA-O 3.3Å; K385-V436 WeakPolarHBondContact CA-O 3.35Å; K385-V436 HydrophobicContact CG-CB 4.47Å; M386-V436 PolarHBondContact N-O 3.37Å; V436-E469 HydrophobicContact CG1-CB 4.39Å; V436-E469 HydrophobicContact CG1-CG 4.15Å
437	I	97.7	Very high	91.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	104.9	166.2	-57.6	-173.1	0	0	0	108.8	M386 I388 W420 L423 M427 I439 M461 V466 T467 F468 E469	M386-I437 HydrophobicContact CB-CB 4.44Å; M386-I437 HydrophobicContact CB-CG1 3.96Å; M386-I437 HydrophobicContact CB-CG2 4.31Å; M386-I437 WeakPolarHBondContact O-CA 3.35Å; M386-I437 HydrophobicContact SD-CD1 4.25Å; I388-I437 HydrophobicContact CD1-CG2 3.8Å; I388-I437 HydrophobicContact CG1-CG2 4.09Å; W420-I437 HydrophobicContact CZ3-CD1 4.42Å; L423-I437 HydrophobicContact CD2-CD1 4.47Å; M427-I437 HydrophobicContact CE-CD1 4.38Å; M427-I437 HydrophobicContact CE-CG1 4.13Å; M427-I437 HydrophobicContact SD-CD1 4.35Å; I437-I439 HydrophobicContact CG2-CG1 4.26Å; I437-M461 HydrophobicContact CD1-CE 3.89Å; I437-M461 HydrophobicContact CD1-SD 3.82Å; I437-V466 HydrophobicContact CB-CG1 4.36Å; I437-V466 HydrophobicContact CD1-CG1 3.75Å; I437-V466 HydrophobicContact CG1-CG1 3.63Å; I437-T467 PolarHBondContact N-O 3.23Å; I437-F468 HydrophobicContact CB-CD1 3.9Å; I437-F468 HydrophobicContact CB-CE1 3.81Å; I437-F468 HydrophobicContact CB-CZ 4.35Å; I437-F468 HydrophobicContact CD1-CE1 4.03Å; I437-F468 HydrophobicContact CD1-CZ 3.85Å; I437-F468 HydrophobicContact CG1-CE1 4.44Å; I437-F468 HydrophobicContact CG2-CD1 3.99Å; I437-F468 HydrophobicContact CG2-CE1 3.73Å; I437-F468 WeakPolarHBondContact O-CA 3.38Å; I437-E469 PolarHBondContact O-N 3.22Å
438	H	97.7	Very high	91.5	Very high	14 Å²	14	39.9 Å²	39.9	7%	0.065	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	136.1	170	-62.3	113	0	0	0	109.9	M386 L387 I388 E469 M481 Y485	M386-H438 PolarHBondContact O-N 3.4Å; L387-H438 CarbonylContact C-O 3.52Å; L387-H438 WeakPolarHBondContact CA-O 3.48Å; L387-H438 HydrophobicContact CD1-CB 3.73Å; I388-H438 PolarHBondContact N-O 3.14Å; H438-E469 CarbonylContact C-O 3.59Å; H438-E469 WeakPolarHBondContact CA-O 3.27Å; H438-M481 HydrophobicContact CB-CG 4Å; H438-M481 HydrophobicContact CB-SD 3.84Å; H438-Y485 HydrophobicContact CB-CE2 4.43Å; H438-Y485 AromaticContact ND1-CE2 3.45Å; H438-Y485 WeakPolarHBondContact ND1-CE2 3.34Å; H438-Y485 AromaticContact ND1-CZ 3.62Å; H438-Y485 PolarHBondContact ND1-OH 3.11Å
439	I	97.4	Very high	91.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126.4	175	-48.7	160.9	0	0	0	110.2	I388 L397 I437 I444 F454 F468 E469 S470	I388-I439 HydrophobicContact CB-CG1 4.43Å; I388-I439 HydrophobicContact CB-CG2 4.37Å; I388-I439 WeakPolarHBondContact O-CA 3.49Å; L397-I439 HydrophobicContact CD1-CD1 4.1Å; L397-I439 HydrophobicContact CD1-CG2 4.15Å; L397-I439 HydrophobicContact CD2-CG2 3.84Å; I437-I439 HydrophobicContact CG2-CG1 4.26Å; I439-I444 HydrophobicContact CB-CD1 3.7Å; I439-I444 HydrophobicContact CD1-CD1 3.82Å; I439-I444 HydrophobicContact CG1-CD1 4.38Å; I439-I444 HydrophobicContact CG2-CD1 3.53Å; I439-F454 HydrophobicContact CD1-CE1 3.57Å; I439-F454 HydrophobicContact CD1-CZ 3.82Å; I439-F468 HydrophobicContact CD1-CD1 3.74Å; I439-F468 HydrophobicContact CD1-CE1 4.24Å; I439-F468 HydrophobicContact CG1-CD1 4.46Å; I439-E469 PolarHBondContact N-O 3.12Å; I439-S470 WeakPolarHBondContact O-CA 3.48Å; I439-S470 VanDerWaalsContact O-CB 3.31Å; I439-S470 WeakPolarHBondContact O-CB 3.2Å; I439-S470 PolarHBondContact O-OG 3.17Å
440	M	95.5	Very high	91.9	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.02	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	156.5	-165.7	-173.5	175.8	-176.3	0	0	111.2	L387 I388 F389 C390 E473 M481 I482 F486 Y491	L387-M440 HydrophobicContact CD1-CB 3.78Å; L387-M440 HydrophobicContact CD1-SD 4.1Å; L387-M440 HydrophobicContact CD2-SD 4.25Å; I388-M440 PolarHBondContact O-N 2.99Å; F389-M440 HydrophobicContact CD1-SD 4.46Å; F389-M440 HydrophobicContact CD2-CB 4.25Å; F389-M440 HydrophobicContact CD2-CG 4.15Å; F389-M440 WeakPolarHBondContact CD2-O 3.29Å; F389-M440 HydrophobicContact CE1-SD 4.46Å; F389-M440 HydrophobicContact CE2-CG 4.19Å; F389-M440 HydrophobicContact CG-CB 4.46Å; F389-M440 HydrophobicContact CG-CG 4.46Å; F389-M440 HydrophobicContact CZ-CE 4.44Å; C390-M440 PolarHBondContact N-O 3.22Å; C390-M440 VanDerWaalsContact N-O 3.13Å; C390-M440 VanDerWaalsContact O-O 3.04Å; M440-E473 HydrophobicContact CE-CG 4.07Å; M440-M481 HydrophobicContact CB-CE 4.16Å; M440-M481 HydrophobicContact CE-CE 4.29Å; M440-M481 HydrophobicContact CG-CE 3.88Å; M440-M481 HydrophobicContact SD-CE 3.74Å; M440-I482 HydrophobicContact CE-CD1 4.21Å; M440-I482 HydrophobicContact CE-CG1 3.73Å; M440-F486 HydrophobicContact CE-CE2 4.23Å; M440-F486 HydrophobicContact SD-CE2 3.93Å; M440-Y491 HydrophobicContact CE-CE1 4.27Å; M440-Y491 HydrophobicContact CE-CE2 3.52Å; M440-Y491 WeakPolarHBondContact CE-OH 3.4Å
441	G	92.3	Very high	92.3	Very high	34 Å²	34	45 Å²	45	35%	0.351	26%	0.258	S	S	.	.	S	Bend	trans	94	-5.7	-177.4	0	0	0	0	0	115	C390	C390-G441 CarbonylContact O-C 3.48Å
442	C	92.3	Very high	93.1	Very high	24 Å²	24	48.1 Å²	48.1	16%	0.162	27%	0.27	C	S	.	.	S	Bend	trans	-150.8	165.7	175.6	57.8	0	0	0	0	112.4	L397 I444	L397-C442 WeakPolarHBondContact CD2-SG 3.27Å; C442-I444 VanDerWaalsContact SG-CG1 3.56Å
443	Y	92.6	Very high	94.2	Very high	115 Å²	115	41.8 Å²	41.8	45%	0.451	23%	0.229	S	C	.	.			trans	-106.6	76.2	177.9	-179.1	-146.4	0	0	0	110.7	P394 L445 G446 L472	P394-Y443 WeakPolarHBondContact CA-O 3.47Å; Y443-L445 HydrophobicContact CE2-CB 4.34Å; Y443-G446 VanDerWaalsContact CZ-CA 3.42Å; Y443-G446 PolarHBondContact O-N 3.4Å; Y443-L472 HydrophobicContact CD1-CD2 4.4Å; Y443-L472 HydrophobicContact CD2-CD2 3.48Å; Y443-L472 VanDerWaalsContact CD2-CD2 3.48Å; Y443-L472 HydrophobicContact CD2-CG 4.34Å; Y443-L472 HydrophobicContact CE2-CD2 3.81Å; Y443-L472 HydrophobicContact CE2-CG 4.25Å; Y443-L472 HydrophobicContact CG-CD2 3.83Å
444	I	95.4	Very high	94.9	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-62.5	-45.8	-174.7	-51.8	163.6	0	0	0	110.9	G395 L397 I439 C442 G446 G450 L453 F454	G395-I444 PolarHBondContact N-O 3.01Å; L397-I444 HydrophobicContact CD1-CD1 4.27Å; L397-I444 HydrophobicContact CD2-CD1 3.59Å; L397-I444 HydrophobicContact CD2-CG1 3.77Å; L397-I444 HydrophobicContact CG-CD1 4.16Å; L397-I444 HydrophobicContact CG-CG1 4.46Å; I439-I444 HydrophobicContact CB-CD1 3.7Å; I439-I444 HydrophobicContact CD1-CD1 3.82Å; I439-I444 HydrophobicContact CG1-CD1 4.38Å; I439-I444 HydrophobicContact CG2-CD1 3.53Å; C442-I444 VanDerWaalsContact SG-CG1 3.56Å; I444-G446 PolarHBondContact O-N 3.07Å; I444-G450 WeakPolarHBondContact O-CA 3.47Å; I444-L453 HydrophobicContact CG2-CD2 4.16Å; I444-F454 HydrophobicContact CB-CE1 4.32Å; I444-F454 HydrophobicContact CB-CZ 4.45Å; I444-F454 HydrophobicContact CD1-CE1 3.7Å; I444-F454 HydrophobicContact CD1-CZ 3.84Å; I444-F454 HydrophobicContact CG2-CD1 4.47Å; I444-F454 HydrophobicContact CG2-CE1 3.87Å; I444-F454 HydrophobicContact CG2-CZ 4.45Å
445	L	95.3	Very high	95.4	Very high	60 Å²	60	38.9 Å²	38.9	31%	0.314	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-74.3	13.6	179.1	-58.4	178.2	0	0	0	113.3	Y443 N447 E451 F454	Y443-L445 HydrophobicContact CE2-CB 4.34Å; L445-N447 PolarHBondContact O-N 3.18Å; L445-E451 HydrophobicContact CD2-CG 4.08Å; L445-F454 HydrophobicContact CD1-CE2 4.05Å; L445-F454 HydrophobicContact CD2-CD2 3.89Å; L445-F454 HydrophobicContact CD2-CE2 3.92Å; L445-F454 HydrophobicContact CD2-CG 4.39Å; L445-F454 HydrophobicContact CD2-CZ 4.43Å; L445-F454 HydrophobicContact CG-CE2 4.09Å; L445-F454 HydrophobicContact CG-CZ 4.49Å
446	G	92.7	Very high	95.6	Very high	31 Å²	31	39.6 Å²	39.6	32%	0.32	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-72.2	-2.2	171.6	0	0	0	0	0	114.8	Y443 I444	Y443-G446 VanDerWaalsContact CZ-CA 3.42Å; Y443-G446 PolarHBondContact O-N 3.4Å; I444-G446 PolarHBondContact O-N 3.07Å
447	N	93.7	Very high	95.6	Very high	46 Å²	46	39.1 Å²	39.1	25%	0.246	21%	0.21	C	C	.	.	S	Bend	trans	-151.6	164.2	168.7	66.1	22.5	0	0	0	111.4	P394 G395 L445 N449 G450	P394-N447 HydrophobicContact CB-CB 4.09Å; P394-N447 VanDerWaalsContact CB-ND2 3.3Å; P394-N447 WeakPolarHBondContact CB-ND2 3.46Å; P394-N447 PolarHBondContact O-ND2 3.41Å; G395-N447 VanDerWaalsContact CA-OD1 3.3Å; G395-N447 WeakPolarHBondContact CA-OD1 3.35Å; G395-N447 PolarHBondContact N-OD1 2.77Å; G395-N447 VanDerWaalsContact N-OD1 3.11Å; L445-N447 PolarHBondContact O-N 3.18Å; N447-N449 PolarHBondContact O-N 3.09Å; N447-N449 VanDerWaalsContact O-N 3.1Å; N447-N449 WeakPolarHBondContact OD1-CB 3.42Å; N447-N449 PolarHBondContact OD1-N 3.39Å; N447-G450 PolarHBondContact O-N 3.31Å; N447-G450 PolarHBondContact OD1-N 2.9Å; N447-G450 VanDerWaalsContact OD1-N 3.09Å
448	P	96.4	Very high	95.5	Very high	86 Å²	86	43.8 Å²	43.8	56%	0.558	23%	0.228	S	C	*	.	H	α-helix	trans	-62.8	-16.1	177.5	-24.9	35.6	0	0	0	114.7	G450 E451 K452	P448-G450 VanDerWaalsContact C-N 3.26Å; P448-G450 PolarHBondContact O-N 2.85Å; P448-E451 PolarHBondContact O-N 3.09Å; P448-K452 PolarHBondContact O-N 3.02Å
449	N	96.6	Very high	95.3	Very high	65 Å²	65	47.5 Å²	47.5	35%	0.348	25%	0.252	S	S	.	.	H	α-helix	trans	-71.3	-25	174.4	-64	-12.9	0	0	0	111.5	F407 N447 L453	F407-N449 HydrophobicContact CD1-CB 3.75Å; F407-N449 HydrophobicContact CE1-CB 3.88Å; N447-N449 PolarHBondContact O-N 3.09Å; N447-N449 VanDerWaalsContact O-N 3.1Å; N447-N449 WeakPolarHBondContact OD1-CB 3.42Å; N447-N449 PolarHBondContact OD1-N 3.39Å; N449-L453 WeakPolarHBondContact O-CB 3.36Å; N449-L453 PolarHBondContact O-N 3.16Å
450	G	96.6	Very high	95.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.9	-41	172.2	0	0	0	0	0	113	I444 N447 P448 L453 F454	I444-G450 WeakPolarHBondContact O-CA 3.47Å; N447-G450 PolarHBondContact O-N 3.31Å; N447-G450 PolarHBondContact OD1-N 2.9Å; N447-G450 VanDerWaalsContact OD1-N 3.09Å; P448-G450 VanDerWaalsContact C-N 3.26Å; P448-G450 PolarHBondContact O-N 2.85Å; G450-L453 PolarHBondContact O-N 3.34Å; G450-F454 PolarHBondContact O-N 3.49Å
451	E	96.2	Very high	95.1	Very high	110 Å²	110	48.3 Å²	48.3	51%	0.514	26%	0.256	S	S	.	.	H	α-helix	trans	-62.5	-44	174.2	-65.6	172.6	-172.9	0	0	111.2	L445 P448 F454 Q455	L445-E451 HydrophobicContact CD2-CG 4.08Å; P448-E451 PolarHBondContact O-N 3.09Å; E451-F454 PolarHBondContact O-N 3.04Å; E451-Q455 WeakPolarHBondContact O-CG 2.98Å; E451-Q455 PolarHBondContact O-N 3.19Å
452	K	97.2	Very high	94.8	Very high	100 Å²	100	51.3 Å²	51.3	44%	0.435	27%	0.267	S	S	.	.	H	α-helix	trans	-61.8	-43.4	173.2	-68.7	-179.5	179.5	-174.5	0	112.4	F407 P448 F454 Q455 N456	F407-K452 HydrophobicContact CB-CB 3.83Å; F407-K452 HydrophobicContact CD2-CB 4.33Å; F407-K452 HydrophobicContact CD2-CD 4.29Å; F407-K452 HydrophobicContact CG-CB 4.1Å; P448-K452 PolarHBondContact O-N 3.02Å; K452-F454 VanDerWaalsContact C-N 3.29Å; K452-F454 PolarHBondContact O-N 3.09Å; K452-Q455 PolarHBondContact O-N 3.14Å; K452-N456 WeakPolarHBondContact O-CB 3.41Å; K452-N456 VanDerWaalsContact O-CG 3.23Å; K452-N456 PolarHBondContact O-N 2.8Å; K452-N456 PolarHBondContact O-OD1 2.9Å
453	L	97.5	Very high	94.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.7	-44.4	174.6	173.6	58.4	0	0	0	110.8	F407 V410 I444 N449 G450 N456 L457	F407-L453 HydrophobicContact CB-CB 4.19Å; V410-L453 HydrophobicContact CB-CD1 4.37Å; V410-L453 HydrophobicContact CG1-CD1 4.04Å; I444-L453 HydrophobicContact CG2-CD2 4.16Å; N449-L453 WeakPolarHBondContact O-CB 3.36Å; N449-L453 PolarHBondContact O-N 3.16Å; G450-L453 PolarHBondContact O-N 3.34Å; L453-N456 PolarHBondContact O-N 3.33Å; L453-L457 HydrophobicContact CD1-CD1 3.95Å; L453-L457 HydrophobicContact CD1-CG 4.03Å; L453-L457 HydrophobicContact CG-CD1 4Å; L453-L457 WeakPolarHBondContact O-CB 3.31Å; L453-L457 WeakPolarHBondContact O-CG 3.32Å; L453-L457 PolarHBondContact O-N 3.46Å
454	F	96.5	Very high	93.6	Very high	4 Å²	4	50 Å²	50	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-66.9	-35.5	177.1	-78.3	15.7	0	0	0	113	I439 I444 L445 G450 E451 K452 L457 R458 F468	I439-F454 HydrophobicContact CD1-CE1 3.57Å; I439-F454 HydrophobicContact CD1-CZ 3.82Å; I444-F454 HydrophobicContact CB-CE1 4.32Å; I444-F454 HydrophobicContact CB-CZ 4.45Å; I444-F454 HydrophobicContact CD1-CE1 3.7Å; I444-F454 HydrophobicContact CD1-CZ 3.84Å; I444-F454 HydrophobicContact CG2-CD1 4.47Å; I444-F454 HydrophobicContact CG2-CE1 3.87Å; I444-F454 HydrophobicContact CG2-CZ 4.45Å; L445-F454 HydrophobicContact CD1-CE2 4.05Å; L445-F454 HydrophobicContact CD2-CD2 3.89Å; L445-F454 HydrophobicContact CD2-CE2 3.92Å; L445-F454 HydrophobicContact CD2-CG 4.39Å; L445-F454 HydrophobicContact CD2-CZ 4.43Å; L445-F454 HydrophobicContact CG-CE2 4.09Å; L445-F454 HydrophobicContact CG-CZ 4.49Å; G450-F454 PolarHBondContact O-N 3.49Å; E451-F454 PolarHBondContact O-N 3.04Å; K452-F454 VanDerWaalsContact C-N 3.29Å; K452-F454 PolarHBondContact O-N 3.09Å; F454-L457 HydrophobicContact CD1-CD1 4.41Å; F454-R458 VanDerWaalsContact O-CG 3.23Å; F454-R458 WeakPolarHBondContact O-CG 3.3Å; F454-R458 PolarHBondContact O-N 2.89Å; F454-R458 VanDerWaalsContact O-N 3.09Å; F454-F468 HydrophobicContact CB-CB 4.32Å; F454-F468 HydrophobicContact CD1-CB 4.28Å; F454-F468 HydrophobicContact CD2-CB 3.74Å; F454-F468 WeakPolarHBondContact CD2-O 3.38Å; F454-F468 HydrophobicContact CE2-CB 4.02Å; F454-F468 HydrophobicContact CG-CB 3.88Å; F454-F468 HydrophobicContact CZ-CB 4.4Å
455	Q	95.9	Very high	92.9	Very high	107 Å²	107	58.5 Å²	58.5	50%	0.5	31%	0.306	S	S	.	.	H	α-helix	trans	-62.2	-51.9	172.7	-72.2	166.8	1.4	0	0	110.7	E451 K452 L457 R458 T459	E451-Q455 WeakPolarHBondContact O-CG 2.98Å; E451-Q455 PolarHBondContact O-N 3.19Å; K452-Q455 PolarHBondContact O-N 3.14Å; Q455-L457 VanDerWaalsContact C-N 3.32Å; Q455-L457 PolarHBondContact O-N 2.75Å; Q455-R458 PolarHBondContact O-N 2.86Å; Q455-R458 VanDerWaalsContact O-N 3.13Å; Q455-T459 PolarHBondContact O-N 3.14Å; Q455-T459 PolarHBondContact O-OG1 3.02Å; Q455-T459 VanDerWaalsContact O-OG1 3.1Å
456	N	96.3	Very high	92.8	Very high	20 Å²	20	56.1 Å²	56.1	11%	0.107	29%	0.294	C	S	.	.	H	α-helix	trans	-59.9	-40.8	-179.9	-65.3	17.9	0	0	0	111.8	F407 V410 E411 K452 L453 T459 L460	F407-N456 PolarHBondContact O-ND2 3.11Å; V410-N456 HydrophobicContact CG1-CB 3.84Å; E411-N456 HydrophobicContact CG-CB 3.96Å; E411-N456 WeakPolarHBondContact OE1-CB 3.37Å; E411-N456 PolarHBondContact OE1-ND2 3.17Å; E411-N456 PolarHBondContact OE1-OD1 3.1Å; E411-N456 PolarHBondContact OE2-ND2 3.23Å; K452-N456 WeakPolarHBondContact O-CB 3.41Å; K452-N456 VanDerWaalsContact O-CG 3.23Å; K452-N456 PolarHBondContact O-N 2.8Å; K452-N456 PolarHBondContact O-OD1 2.9Å; L453-N456 PolarHBondContact O-N 3.33Å; N456-T459 WeakPolarHBondContact O-CB 3.47Å; N456-T459 PolarHBondContact O-N 3.49Å; N456-L460 WeakPolarHBondContact O-CG 3.49Å; N456-L460 PolarHBondContact O-N 3.34Å
457	L	96.5	Very high	92.9	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-42.6	174.8	-72.3	172.1	0	0	0	112.9	V410 W420 L453 F454 Q455 T459 L460 M461 F468	V410-L457 HydrophobicContact CG2-CD2 3.83Å; W420-L457 HydrophobicContact CD2-CD2 3.48Å; W420-L457 VanDerWaalsContact CD2-CD2 3.48Å; W420-L457 HydrophobicContact CE3-CD2 4.02Å; W420-L457 HydrophobicContact CG-CD2 3.86Å; W420-L457 HydrophobicContact CH2-CD2 4.07Å; W420-L457 HydrophobicContact CZ2-CD1 4.43Å; W420-L457 HydrophobicContact CZ2-CD2 3.53Å; W420-L457 HydrophobicContact CZ3-CD2 4.29Å; L453-L457 HydrophobicContact CD1-CD1 3.95Å; L453-L457 HydrophobicContact CD1-CG 4.03Å; L453-L457 HydrophobicContact CG-CD1 4Å; L453-L457 WeakPolarHBondContact O-CB 3.31Å; L453-L457 WeakPolarHBondContact O-CG 3.32Å; L453-L457 PolarHBondContact O-N 3.46Å; F454-L457 HydrophobicContact CD1-CD1 4.41Å; Q455-L457 VanDerWaalsContact C-N 3.32Å; Q455-L457 PolarHBondContact O-N 2.75Å; L457-T459 VanDerWaalsContact C-N 3.34Å; L457-T459 PolarHBondContact O-N 3.45Å; L457-L460 PolarHBondContact O-N 3.06Å; L457-M461 WeakPolarHBondContact O-CG 3.4Å; L457-M461 PolarHBondContact O-N 3.08Å; L457-F468 HydrophobicContact CB-CD2 4.15Å; L457-F468 HydrophobicContact CB-CE1 4.22Å; L457-F468 HydrophobicContact CB-CE2 3.66Å; L457-F468 HydrophobicContact CB-CZ 3.69Å; L457-F468 HydrophobicContact CD1-CD1 4.19Å; L457-F468 HydrophobicContact CD1-CE1 3.88Å; L457-F468 HydrophobicContact CD1-CZ 4.18Å; L457-F468 HydrophobicContact CG-CZ 4.37Å
458	R	95.2	Very high	93	Very high	98 Å²	98	54.6 Å²	54.6	37%	0.37	28%	0.281	S	S	.	.	H	α-helix	trans	-63.7	-39.9	174.9	-68.4	172.2	-163	144	0.3	111.7	F454 Q455 M461 T462 F468	F454-R458 VanDerWaalsContact O-CG 3.23Å; F454-R458 WeakPolarHBondContact O-CG 3.3Å; F454-R458 PolarHBondContact O-N 2.89Å; F454-R458 VanDerWaalsContact O-N 3.09Å; Q455-R458 PolarHBondContact O-N 2.86Å; Q455-R458 VanDerWaalsContact O-N 3.13Å; R458-M461 PolarHBondContact O-N 3.15Å; R458-T462 PolarHBondContact O-N 2.99Å; R458-T462 VanDerWaalsContact O-N 3.15Å; R458-T462 PolarHBondContact O-OG1 2.81Å; R458-F468 HydrophobicContact CG-CD2 3.74Å; R458-F468 HydrophobicContact CG-CE2 4.33Å; R458-F468 PolarHBondContact NH2-O 3.02Å
459	T	94.2	Very high	93	Very high	92 Å²	92	54.7 Å²	54.7	56%	0.564	27%	0.273	S	S	*	.	H	α-helix	trans	-61.1	-46.4	174.1	-54.4	0	0	0	0	111.2	Q455 N456 L457 M461 T462	Q455-T459 PolarHBondContact O-N 3.14Å; Q455-T459 PolarHBondContact O-OG1 3.02Å; Q455-T459 VanDerWaalsContact O-OG1 3.1Å; N456-T459 WeakPolarHBondContact O-CB 3.47Å; N456-T459 PolarHBondContact O-N 3.49Å; L457-T459 VanDerWaalsContact C-N 3.34Å; L457-T459 PolarHBondContact O-N 3.45Å; T459-M461 VanDerWaalsContact C-N 3.27Å; T459-M461 PolarHBondContact O-N 3.21Å; T459-T462 VanDerWaalsContact O-CB 3.27Å; T459-T462 WeakPolarHBondContact O-CB 3.43Å; T459-T462 PolarHBondContact O-N 2.87Å; T459-T462 PolarHBondContact O-OG1 2.84Å
460	L	94.3	Very high	93	Very high	22 Å²	22	52.1 Å²	52.1	12%	0.115	26%	0.26	C	S	.	.	H	α-helix	trans	-64.9	-27.6	178.7	-72.8	167.7	0	0	0	113.9	V410 I417 W420 N456 L457	V410-L460 HydrophobicContact CB-CD1 4.41Å; V410-L460 HydrophobicContact CG1-CD1 4.11Å; V410-L460 HydrophobicContact CG2-CD1 3.77Å; V410-L460 WeakPolarHBondContact O-CD1 3.44Å; I417-L460 HydrophobicContact CB-CD2 4.48Å; I417-L460 HydrophobicContact CG1-CD2 4.26Å; I417-L460 HydrophobicContact CG2-CD2 4.05Å; W420-L460 HydrophobicContact CB-CB 4.12Å; N456-L460 WeakPolarHBondContact O-CG 3.49Å; N456-L460 PolarHBondContact O-N 3.34Å; L457-L460 PolarHBondContact O-N 3.06Å
461	M	93.8	Very high	93	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-91.9	-3.2	177.6	-62.3	-168.9	83.7	0	0	114.2	W420 L423 S424 M427 I437 L457 R458 T459 Y464 V466 F468	W420-M461 HydrophobicContact CE3-CG 4.48Å; W420-M461 HydrophobicContact CE3-SD 3.9Å; W420-M461 HydrophobicContact CZ3-SD 4.33Å; L423-M461 HydrophobicContact CB-CE 4.34Å; L423-M461 HydrophobicContact CD2-CE 4.27Å; L423-M461 HydrophobicContact CG-CE 4.02Å; S424-M461 WeakPolarHBondContact CB-O 3.43Å; M427-M461 HydrophobicContact CG-CE 3.81Å; M427-M461 HydrophobicContact SD-CE 4.3Å; I437-M461 HydrophobicContact CD1-CE 3.89Å; I437-M461 HydrophobicContact CD1-SD 3.82Å; L457-M461 WeakPolarHBondContact O-CG 3.4Å; L457-M461 PolarHBondContact O-N 3.08Å; R458-M461 PolarHBondContact O-N 3.15Å; T459-M461 VanDerWaalsContact C-N 3.27Å; T459-M461 PolarHBondContact O-N 3.21Å; M461-Y464 WeakPolarHBondContact O-CB 3.47Å; M461-Y464 PolarHBondContact O-N 2.96Å; M461-V466 HydrophobicContact CB-CB 4.45Å; M461-V466 HydrophobicContact CB-CG2 4.36Å; M461-V466 HydrophobicContact CE-CG2 4.02Å; M461-V466 HydrophobicContact SD-CB 4.24Å; M461-V466 HydrophobicContact SD-CG1 4Å; M461-V466 HydrophobicContact SD-CG2 4.23Å; M461-F468 HydrophobicContact SD-CE2 3.69Å; M461-F468 HydrophobicContact SD-CZ 3.52Å; M461-F468 VanDerWaalsContact SD-CZ 3.52Å
462	T	86.4	Confident	92.8	Very high	96 Å²	96	52 Å²	52	59%	0.589	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	139.2	174	-63	0	0	0	0	109.9	R458 T459	R458-T462 PolarHBondContact O-N 2.99Å; R458-T462 VanDerWaalsContact O-N 3.15Å; R458-T462 PolarHBondContact O-OG1 2.81Å; T459-T462 VanDerWaalsContact O-CB 3.27Å; T459-T462 WeakPolarHBondContact O-CB 3.43Å; T459-T462 PolarHBondContact O-N 2.87Å; T459-T462 PolarHBondContact O-OG1 2.84Å
463	P	82.3	Confident	92.6	Very high	85 Å²	85	49.6 Å²	49.6	55%	0.552	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	cis	-82.7	-5.7	12.4	34.4	-37.7	0	0	0	115.8	K465	P463-K465 PolarHBondContact O-N 3.18Å
464	Y	77.1	Confident	92.2	Very high	27 Å²	27	58.4 Å²	58.4	11%	0.106	30%	0.3	C	S	.	.	S	Bend	trans	-72.2	114.2	-175.9	-52.3	-72.8	0	0	0	110	W306 S424 R425 K429 M461 V466	W306-Y464 AromaticContact CD1-CE1 3.49Å; W306-Y464 VanDerWaalsContact CD1-CE1 3.49Å; W306-Y464 AromaticContact NE1-CD1 3.84Å; W306-Y464 AromaticContact NE1-CE1 3.59Å; S424-Y464 WeakPolarHBondContact O-CD2 3.49Å; S424-Y464 WeakPolarHBondContact OG-CD2 3.28Å; R425-Y464 HydrophobicContact CG-CE2 4.28Å; K429-Y464 HydrophobicContact CD-CD1 4.43Å; K429-Y464 HydrophobicContact CD-CE1 4.14Å; K429-Y464 HydrophobicContact CG-CD1 4.01Å; K429-Y464 HydrophobicContact CG-CE1 3.87Å; M461-Y464 WeakPolarHBondContact O-CB 3.47Å; M461-Y464 PolarHBondContact O-N 2.96Å; Y464-V466 VanDerWaalsContact C-N 3.34Å; Y464-V466 PolarHBondContact O-N 2.66Å
465	K	80	Confident	92.1	Very high	178 Å²	178	60.1 Å²	60.1	77%	0.774	31%	0.313	S	S	*	.			trans	-70	86.9	-174.9	-67.5	179.4	-177.7	173.8	0	111	N435 P463	N435-K465 PolarHBondContact N-O 3.25Å; P463-K465 PolarHBondContact O-N 3.18Å
466	V	93.3	Very high	92.1	Very high	10 Å²	10	58.8 Å²	58.8	6%	0.061	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.5	178.1	178.5	0	0	0	0	110	M427 N435 I437 M461 Y464 F468	M427-V466 HydrophobicContact CB-CG2 4.28Å; M427-V466 HydrophobicContact CE-CG2 4.39Å; M427-V466 HydrophobicContact CG-CG2 3.85Å; N435-V466 HydrophobicContact CB-CG2 4.4Å; N435-V466 CarbonylContact O-C 3.54Å; N435-V466 WeakPolarHBondContact O-CA 3.31Å; I437-V466 HydrophobicContact CB-CG1 4.36Å; I437-V466 HydrophobicContact CD1-CG1 3.75Å; I437-V466 HydrophobicContact CG1-CG1 3.63Å; M461-V466 HydrophobicContact CB-CB 4.45Å; M461-V466 HydrophobicContact CB-CG2 4.36Å; M461-V466 HydrophobicContact CE-CG2 4.02Å; M461-V466 HydrophobicContact SD-CB 4.24Å; M461-V466 HydrophobicContact SD-CG1 4Å; M461-V466 HydrophobicContact SD-CG2 4.23Å; Y464-V466 VanDerWaalsContact C-N 3.34Å; Y464-V466 PolarHBondContact O-N 2.66Å; V466-F468 HydrophobicContact CG1-CD2 4.16Å; V466-F468 HydrophobicContact CG1-CE2 3.84Å; V466-F468 HydrophobicContact CG1-CZ 4.41Å
467	T	94.9	Very high	92	Very high	42 Å²	42	64.1 Å²	64.1	26%	0.258	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	151.2	166.1	62.5	0	0	0	0	110.2	P434 N435 I437	P434-T467 HydrophobicContact CB-CG2 4.19Å; P434-T467 HydrophobicContact CG-CG2 4.28Å; N435-T467 PolarHBondContact O-N 2.98Å; N435-T467 PolarHBondContact O-OG1 3.5Å; I437-T467 PolarHBondContact N-O 3.23Å
468	F	96.3	Very high	92	Very high	4 Å²	4	64 Å²	64	2%	0.018	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.7	176.4	-82.7	-91.6	0	0	0	108.4	W420 I437 I439 F454 L457 R458 M461 V466	W420-F468 HydrophobicContact CE3-CZ 4.21Å; W420-F468 HydrophobicContact CH2-CE1 4.1Å; W420-F468 HydrophobicContact CH2-CZ 4.36Å; W420-F468 AromaticContact CZ3-CE1 3.88Å; W420-F468 HydrophobicContact CZ3-CE1 3.88Å; W420-F468 AromaticContact CZ3-CZ 3.75Å; W420-F468 HydrophobicContact CZ3-CZ 3.75Å; I437-F468 HydrophobicContact CB-CD1 3.9Å; I437-F468 HydrophobicContact CB-CE1 3.81Å; I437-F468 HydrophobicContact CB-CZ 4.35Å; I437-F468 HydrophobicContact CD1-CE1 4.03Å; I437-F468 HydrophobicContact CD1-CZ 3.85Å; I437-F468 HydrophobicContact CG1-CE1 4.44Å; I437-F468 HydrophobicContact CG2-CD1 3.99Å; I437-F468 HydrophobicContact CG2-CE1 3.73Å; I437-F468 WeakPolarHBondContact O-CA 3.38Å; I439-F468 HydrophobicContact CD1-CD1 3.74Å; I439-F468 HydrophobicContact CD1-CE1 4.24Å; I439-F468 HydrophobicContact CG1-CD1 4.46Å; F454-F468 HydrophobicContact CB-CB 4.32Å; F454-F468 HydrophobicContact CD1-CB 4.28Å; F454-F468 HydrophobicContact CD2-CB 3.74Å; F454-F468 WeakPolarHBondContact CD2-O 3.38Å; F454-F468 HydrophobicContact CE2-CB 4.02Å; F454-F468 HydrophobicContact CG-CB 3.88Å; F454-F468 HydrophobicContact CZ-CB 4.4Å; L457-F468 HydrophobicContact CB-CD2 4.15Å; L457-F468 HydrophobicContact CB-CE1 4.22Å; L457-F468 HydrophobicContact CB-CE2 3.66Å; L457-F468 HydrophobicContact CB-CZ 3.69Å; L457-F468 HydrophobicContact CD1-CD1 4.19Å; L457-F468 HydrophobicContact CD1-CE1 3.88Å; L457-F468 HydrophobicContact CD1-CZ 4.18Å; L457-F468 HydrophobicContact CG-CZ 4.37Å; R458-F468 HydrophobicContact CG-CD2 3.74Å; R458-F468 HydrophobicContact CG-CE2 4.33Å; R458-F468 PolarHBondContact NH2-O 3.02Å; M461-F468 HydrophobicContact SD-CE2 3.69Å; M461-F468 HydrophobicContact SD-CZ 3.52Å; M461-F468 VanDerWaalsContact SD-CZ 3.52Å; V466-F468 HydrophobicContact CG1-CD2 4.16Å; V466-F468 HydrophobicContact CG1-CE2 3.84Å; V466-F468 HydrophobicContact CG1-CZ 4.41Å
469	E	96.4	Very high	92	Very high	88 Å²	88	63.3 Å²	63.3	41%	0.411	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	141.2	-174	-66	-173.9	-154.1	0	0	110.4	V436 I437 H438 I439	V436-E469 HydrophobicContact CG1-CB 4.39Å; V436-E469 HydrophobicContact CG1-CG 4.15Å; I437-E469 PolarHBondContact O-N 3.22Å; H438-E469 CarbonylContact C-O 3.59Å; H438-E469 WeakPolarHBondContact CA-O 3.27Å; I439-E469 PolarHBondContact N-O 3.12Å
470	S	96.8	Very high	92.1	Very high	10 Å²	10	64.8 Å²	64.8	7%	0.07	34%	0.344	C	S	.	.			trans	-147.3	68	175.5	-172.7	0	0	0	0	109.1	I439	I439-S470 WeakPolarHBondContact O-CA 3.48Å; I439-S470 VanDerWaalsContact O-CB 3.31Å; I439-S470 WeakPolarHBondContact O-CB 3.2Å; I439-S470 PolarHBondContact O-OG 3.17Å
471	P	95.3	Very high	92.2	Very high	19 Å²	19	64 Å²	64	12%	0.123	34%	0.34	C	S	.	.			trans	-67.4	144.4	177.4	30.2	-35.5	0	0	0	110.3	E473 Q477 M481	P471-E473 PolarHBondContact O-N 3.22Å; P471-Q477 HydrophobicContact CB-CB 3.67Å; P471-Q477 HydrophobicContact CG-CB 4.41Å; P471-M481 HydrophobicContact CG-CB 4Å; P471-M481 HydrophobicContact CG-CE 4.3Å; P471-M481 HydrophobicContact CG-CG 4.4Å; P471-M481 HydrophobicContact CG-SD 3.68Å
472	L	93.8	Very high	92.4	Very high	89 Å²	89	64.2 Å²	64.2	47%	0.466	34%	0.341	S	S	.	.			trans	-61.3	127.3	175.1	-69.9	173.1	0	0	0	109.6	Y443 L474 S475 G478	Y443-L472 HydrophobicContact CD1-CD2 4.4Å; Y443-L472 HydrophobicContact CD2-CD2 3.48Å; Y443-L472 VanDerWaalsContact CD2-CD2 3.48Å; Y443-L472 HydrophobicContact CD2-CG 4.34Å; Y443-L472 HydrophobicContact CE2-CD2 3.81Å; Y443-L472 HydrophobicContact CE2-CG 4.25Å; Y443-L472 HydrophobicContact CG-CD2 3.83Å; L472-L474 PolarHBondContact O-N 3.48Å; L472-S475 VanDerWaalsContact O-CB 3.31Å; L472-S475 WeakPolarHBondContact O-CB 3.42Å; L472-S475 PolarHBondContact O-N 2.95Å; L472-S475 PolarHBondContact O-OG 3.14Å; L472-G478 WeakPolarHBondContact O-CA 3.45Å
473	E	91.1	Very high	92.9	Very high	50 Å²	50	62.5 Å²	62.5	23%	0.234	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-27.3	-175.7	-61.3	-177.5	-154.3	0	0	114.7	M440 P471 I482 Y491 K495	M440-E473 HydrophobicContact CE-CG 4.07Å; P471-E473 PolarHBondContact O-N 3.22Å; E473-I482 HydrophobicContact CB-CD1 4.16Å; E473-Y491 VanDerWaalsContact CD-OH 3.29Å; E473-Y491 PolarHBondContact OE2-OH 3Å; E473-K495 IonicContact OE1-NZ 2.75Å; E473-K495 PolarHBondContact OE1-NZ 2.9Å; E473-K495 WeakPolarHBondContact OE2-CE 3.43Å; E473-K495 IonicContact OE2-NZ 2.89Å; E473-K495 PolarHBondContact OE2-NZ 3.25Å
474	L	90.2	Very high	93.5	Very high	184 Å²	184	60.2 Å²	60.2	96%	0.963	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-3.6	179	-60.6	177.5	0	0	0	114.1	L472	L472-L474 PolarHBondContact O-N 3.48Å
475	S	94.3	Very high	94.5	Very high	41 Å²	41	59 Å²	59	29%	0.287	31%	0.306	S	S	.	.	S	Bend	trans	-87.3	164.6	177.3	70.8	0	0	0	0	111.8	L472 Q477 G478 K479	L472-S475 VanDerWaalsContact O-CB 3.31Å; L472-S475 WeakPolarHBondContact O-CB 3.42Å; L472-S475 PolarHBondContact O-N 2.95Å; L472-S475 PolarHBondContact O-OG 3.14Å; S475-Q477 VanDerWaalsContact C-N 3.31Å; S475-Q477 PolarHBondContact O-N 3.27Å; S475-G478 PolarHBondContact O-N 3Å; S475-G478 VanDerWaalsContact O-N 3.11Å; S475-G478 PolarHBondContact OG-N 3.39Å; S475-K479 PolarHBondContact O-N 2.75Å
476	A	95.7	Very high	95.4	Very high	78 Å²	78	50.5 Å²	50.5	65%	0.645	27%	0.269	S	S	*	.	H	α-helix	trans	-59.2	-40.8	174.9	0	0	0	0	0	112.6	K479 Q480	A476-K479 WeakPolarHBondContact O-CB 3.3Å; A476-K479 PolarHBondContact O-N 3.09Å; A476-Q480 WeakPolarHBondContact O-CG 3.45Å; A476-Q480 PolarHBondContact O-N 2.99Å
477	Q	95.1	Very high	95.5	Very high	132 Å²	132	53 Å²	53	62%	0.617	28%	0.282	S	S	*	.	H	α-helix	trans	-64.8	-40.1	173.2	-68.6	174.1	-18.3	0	0	111.6	P471 S475 K479 Q480 M481	P471-Q477 HydrophobicContact CB-CB 3.67Å; P471-Q477 HydrophobicContact CG-CB 4.41Å; S475-Q477 VanDerWaalsContact C-N 3.31Å; S475-Q477 PolarHBondContact O-N 3.27Å; Q477-K479 VanDerWaalsContact C-N 3.33Å; Q477-K479 PolarHBondContact O-N 3.48Å; Q477-Q480 PolarHBondContact O-N 3.29Å; Q477-M481 WeakPolarHBondContact O-CB 3.26Å; Q477-M481 PolarHBondContact O-N 2.69Å
478	G	95.4	Very high	95.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-39.5	174.8	0	0	0	0	0	112.5	L472 S475 M481 I482	L472-G478 WeakPolarHBondContact O-CA 3.45Å; S475-G478 PolarHBondContact O-N 3Å; S475-G478 VanDerWaalsContact O-N 3.11Å; S475-G478 PolarHBondContact OG-N 3.39Å; G478-M481 PolarHBondContact O-N 2.97Å; G478-I482 WeakPolarHBondContact O-CB 3.48Å; G478-I482 WeakPolarHBondContact O-CD1 3.38Å; G478-I482 WeakPolarHBondContact O-CG1 3.28Å; G478-I482 PolarHBondContact O-N 3.15Å
479	K	96	Very high	95.4	Very high	82 Å²	82	63.2 Å²	63.2	36%	0.357	32%	0.317	S	S	.	.	H	α-helix	trans	-60.7	-48.3	171.9	178.5	173.8	-175.7	-81.1	0	111.5	S475 A476 Q477 M481 I482 E483 F488	S475-K479 PolarHBondContact O-N 2.75Å; A476-K479 WeakPolarHBondContact O-CB 3.3Å; A476-K479 PolarHBondContact O-N 3.09Å; Q477-K479 VanDerWaalsContact C-N 3.33Å; Q477-K479 PolarHBondContact O-N 3.48Å; K479-M481 PolarHBondContact O-N 3.5Å; K479-I482 PolarHBondContact O-N 3.31Å; K479-E483 WeakPolarHBondContact CE-OE1 3.35Å; K479-E483 HydrophobicContact CG-CG 4.38Å; K479-E483 WeakPolarHBondContact CG-OE2 3.43Å; K479-E483 IonicContact NZ-OE1 2.74Å; K479-E483 PolarHBondContact NZ-OE1 2.96Å; K479-E483 IonicContact NZ-OE2 3.12Å; K479-E483 PolarHBondContact NZ-OE2 2.9Å; K479-E483 WeakPolarHBondContact O-CB 3.43Å; K479-E483 WeakPolarHBondContact O-CG 3.37Å; K479-E483 PolarHBondContact O-N 2.95Å; K479-F488 HydrophobicContact CB-CE2 4.33Å; K479-F488 HydrophobicContact CD-CE1 4.24Å; K479-F488 HydrophobicContact CD-CE2 4.19Å; K479-F488 HydrophobicContact CD-CZ 3.83Å; K479-F488 HydrophobicContact CG-CD2 4.22Å; K479-F488 HydrophobicContact CG-CE2 3.69Å; K479-F488 HydrophobicContact CG-CZ 3.87Å
480	Q	96.1	Very high	95.3	Very high	124 Å²	124	61 Å²	61	58%	0.579	31%	0.308	S	S	*	.	H	α-helix	trans	-61	-42.2	178	-71	168.6	-14.3	0	0	112.2	A476 Q477 E483 T484	A476-Q480 WeakPolarHBondContact O-CG 3.45Å; A476-Q480 PolarHBondContact O-N 2.99Å; Q477-Q480 PolarHBondContact O-N 3.29Å; Q480-E483 PolarHBondContact O-N 3.35Å; Q480-T484 PolarHBondContact O-N 2.85Å; Q480-T484 PolarHBondContact O-OG1 2.88Å
481	M	96.6	Very high	95.3	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.03	31%	0.306	C	S	.	.	H	α-helix	trans	-59.7	-47.8	172.5	179.5	-167.1	71.6	0	0	111.1	H438 M440 P471 Q477 G478 K479 E483 T484 Y485	H438-M481 HydrophobicContact CB-CG 4Å; H438-M481 HydrophobicContact CB-SD 3.84Å; M440-M481 HydrophobicContact CB-CE 4.16Å; M440-M481 HydrophobicContact CE-CE 4.29Å; M440-M481 HydrophobicContact CG-CE 3.88Å; M440-M481 HydrophobicContact SD-CE 3.74Å; P471-M481 HydrophobicContact CG-CB 4Å; P471-M481 HydrophobicContact CG-CE 4.3Å; P471-M481 HydrophobicContact CG-CG 4.4Å; P471-M481 HydrophobicContact CG-SD 3.68Å; Q477-M481 WeakPolarHBondContact O-CB 3.26Å; Q477-M481 PolarHBondContact O-N 2.69Å; G478-M481 PolarHBondContact O-N 2.97Å; K479-M481 PolarHBondContact O-N 3.5Å; M481-E483 PolarHBondContact O-N 3.35Å; M481-T484 VanDerWaalsContact O-CB 3.3Å; M481-T484 WeakPolarHBondContact O-CB 3.4Å; M481-T484 PolarHBondContact O-N 2.88Å; M481-T484 VanDerWaalsContact O-N 3.14Å; M481-Y485 VanDerWaalsContact O-CD2 3.28Å; M481-Y485 WeakPolarHBondContact O-CD2 3.45Å
482	I	97	Very high	95.2	Very high	3 Å²	3	67.8 Å²	67.8	2%	0.015	33%	0.33	C	S	.	.	H	α-helix	trans	-61	-47.1	177.8	-69.4	159.9	0	0	0	110.6	M440 E473 G478 K479 T484 Y485 F486 F488 Y491	M440-I482 HydrophobicContact CE-CD1 4.21Å; M440-I482 HydrophobicContact CE-CG1 3.73Å; E473-I482 HydrophobicContact CB-CD1 4.16Å; G478-I482 WeakPolarHBondContact O-CB 3.48Å; G478-I482 WeakPolarHBondContact O-CD1 3.38Å; G478-I482 WeakPolarHBondContact O-CG1 3.28Å; G478-I482 PolarHBondContact O-N 3.15Å; K479-I482 PolarHBondContact O-N 3.31Å; I482-T484 PolarHBondContact O-N 3.44Å; I482-T484 VanDerWaalsContact O-N 3.13Å; I482-Y485 PolarHBondContact O-N 3.32Å; I482-F486 HydrophobicContact CG2-CB 4.17Å; I482-F486 HydrophobicContact CG2-CD2 4.06Å; I482-F486 PolarHBondContact O-N 3.42Å; I482-F488 HydrophobicContact CB-CD2 4.47Å; I482-F488 HydrophobicContact CG2-CD2 3.83Å; I482-F488 HydrophobicContact CG2-CE2 4.46Å; I482-Y491 HydrophobicContact CD1-CD1 4Å; I482-Y491 HydrophobicContact CD1-CE1 3.59Å; I482-Y491 HydrophobicContact CG1-CD1 4.36Å; I482-Y491 HydrophobicContact CG1-CE1 4.15Å; I482-Y491 HydrophobicContact CG2-CD1 3.58Å; I482-Y491 HydrophobicContact CG2-CD2 4.21Å; I482-Y491 HydrophobicContact CG2-CE1 4.22Å; I482-Y491 HydrophobicContact CG2-CG 3.61Å
483	E	96.7	Very high	95.1	Very high	60 Å²	60	66.1 Å²	66.1	28%	0.28	32%	0.321	S	S	.	.	H	α-helix	trans	-64	-13.4	177.6	-75.7	177.9	149.8	0	0	113.7	R345 K479 Q480 M481 F488	R345-E483 VanDerWaalsContact CD-O 3.27Å; R345-E483 WeakPolarHBondContact CD-O 3.48Å; R345-E483 PolarHBondContact NH1-O 2.97Å; K479-E483 WeakPolarHBondContact CE-OE1 3.35Å; K479-E483 HydrophobicContact CG-CG 4.38Å; K479-E483 WeakPolarHBondContact CG-OE2 3.43Å; K479-E483 IonicContact NZ-OE1 2.74Å; K479-E483 PolarHBondContact NZ-OE1 2.96Å; K479-E483 IonicContact NZ-OE2 3.12Å; K479-E483 PolarHBondContact NZ-OE2 2.9Å; K479-E483 WeakPolarHBondContact O-CB 3.43Å; K479-E483 WeakPolarHBondContact O-CG 3.37Å; K479-E483 PolarHBondContact O-N 2.95Å; Q480-E483 PolarHBondContact O-N 3.35Å; M481-E483 PolarHBondContact O-N 3.35Å; E483-F488 HydrophobicContact CG-CB 3.84Å; E483-F488 HydrophobicContact CG-CD2 4.09Å; E483-F488 HydrophobicContact CG-CG 4.1Å
484	T	96.5	Very high	95.2	Very high	37 Å²	37	63.7 Å²	63.7	23%	0.227	31%	0.31	C	S	.	.	H	α-helix	trans	-76.9	-24.3	173.2	-59.2	0	0	0	0	112.7	Q480 M481 I482	Q480-T484 PolarHBondContact O-N 2.85Å; Q480-T484 PolarHBondContact O-OG1 2.88Å; M481-T484 VanDerWaalsContact O-CB 3.3Å; M481-T484 WeakPolarHBondContact O-CB 3.4Å; M481-T484 PolarHBondContact O-N 2.88Å; M481-T484 VanDerWaalsContact O-N 3.14Å; I482-T484 PolarHBondContact O-N 3.44Å; I482-T484 VanDerWaalsContact O-N 3.13Å
485	Y	97.9	Very high	95.3	Very high	1 Å²	1	57.5 Å²	57.5	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-126	-32.1	-172	-60.1	-79.4	0	0	0	114.6	K326 M328 R345 K385 M386 L387 H438 M481 I482	K326-Y485 HydrophobicContact CB-CE1 4.14Å; M328-Y485 HydrophobicContact CG-CD1 3.56Å; M328-Y485 HydrophobicContact CG-CE1 4.13Å; M328-Y485 HydrophobicContact CG-CG 4.3Å; M328-Y485 HydrophobicContact SD-CD1 3.91Å; M328-Y485 HydrophobicContact SD-CG 4.28Å; R345-Y485 PolarHBondContact N-O 2.96Å; R345-Y485 VanDerWaalsContact N-O 3.11Å; K385-Y485 WeakPolarHBondContact CB-OH 3.22Å; M386-Y485 VanDerWaalsContact C-OH 3.31Å; M386-Y485 PolarHBondContact O-OH 3.13Å; L387-Y485 HydrophobicContact CB-CD1 4.15Å; L387-Y485 HydrophobicContact CB-CD2 4.18Å; L387-Y485 HydrophobicContact CB-CE1 3.85Å; L387-Y485 HydrophobicContact CB-CE2 3.93Å; L387-Y485 HydrophobicContact CB-CG 4.3Å; L387-Y485 HydrophobicContact CD1-CD2 4.33Å; L387-Y485 HydrophobicContact CD1-CE2 4.19Å; L387-Y485 HydrophobicContact CD2-CD2 4.08Å; L387-Y485 HydrophobicContact CD2-CG 4.11Å; L387-Y485 HydrophobicContact CG-CD2 4.43Å; L387-Y485 HydrophobicContact CG-CE2 4.46Å; H438-Y485 HydrophobicContact CB-CE2 4.43Å; H438-Y485 AromaticContact ND1-CE2 3.45Å; H438-Y485 WeakPolarHBondContact ND1-CE2 3.34Å; H438-Y485 AromaticContact ND1-CZ 3.62Å; H438-Y485 PolarHBondContact ND1-OH 3.11Å; M481-Y485 VanDerWaalsContact O-CD2 3.28Å; M481-Y485 WeakPolarHBondContact O-CD2 3.45Å; I482-Y485 PolarHBondContact O-N 3.32Å
486	F	97.5	Very high	95.1	Very high	1 Å²	1	60 Å²	60	0%	0.004	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-118.8	150.4	-171.8	-54.2	-76.4	0	0	0	112.3	M328 I340 I343 I344 R345 L387 F389 M440 I482 F488 Y491	M328-F486 HydrophobicContact CE-CD1 4.05Å; M328-F486 HydrophobicContact CE-CE1 3.25Å; M328-F486 HydrophobicContact CE-CE2 4.16Å; M328-F486 HydrophobicContact CE-CZ 3.33Å; I340-F486 HydrophobicContact CG2-CE1 3.66Å; I340-F486 HydrophobicContact CG2-CZ 4.39Å; I343-F486 HydrophobicContact CD1-CD1 4.04Å; I343-F486 HydrophobicContact CD1-CE1 4.4Å; I343-F486 HydrophobicContact CG1-CD1 4.07Å; I343-F486 WeakPolarHBondContact O-CA 3.42Å; I344-F486 HydrophobicContact CG1-CD1 4.29Å; I344-F486 HydrophobicContact CG1-CE1 4.4Å; R345-F486 WeakPolarHBondContact CG-O 3.4Å; L387-F486 HydrophobicContact CD2-CE2 3.69Å; L387-F486 HydrophobicContact CD2-CZ 3.7Å; F389-F486 HydrophobicContact CD1-CZ 4.17Å; F389-F486 HydrophobicContact CE1-CZ 4.35Å; M440-F486 HydrophobicContact CE-CE2 4.23Å; M440-F486 HydrophobicContact SD-CE2 3.93Å; I482-F486 HydrophobicContact CG2-CB 4.17Å; I482-F486 HydrophobicContact CG2-CD2 4.06Å; I482-F486 PolarHBondContact O-N 3.42Å; F486-F488 PolarHBondContact O-N 3.47Å; F486-Y491 HydrophobicContact CB-CD2 4.24Å; F486-Y491 HydrophobicContact CB-CG 4.36Å; F486-Y491 HydrophobicContact CD1-CD2 4.3Å; F486-Y491 AromaticContact CD2-CD2 3.87Å; F486-Y491 HydrophobicContact CD2-CD2 3.87Å; F486-Y491 HydrophobicContact CD2-CE2 4.37Å; F486-Y491 HydrophobicContact CE2-CD2 4.26Å; F486-Y491 HydrophobicContact CE2-CE2 4.36Å; F486-Y491 AromaticContact CG-CD2 3.88Å; F486-Y491 HydrophobicContact CG-CD2 3.88Å; F486-Y491 HydrophobicContact CG-CG 4.47Å
487	D	96.5	Very high	94.8	Very high	63 Å²	63	60.1 Å²	60.1	34%	0.337	28%	0.276	S	S	.	.			trans	-63.3	119.6	159	176.5	-66.1	0	0	0	107.5	I343 R489 L490 Y491	I343-D487 PolarHBondContact O-N 3.3Å; D487-R489 PolarHBondContact O-N 2.92Å; D487-R489 WeakPolarHBondContact OD1-CA 3.45Å; D487-R489 VanDerWaalsContact OD1-CB 3.27Å; D487-R489 WeakPolarHBondContact OD1-CB 3.41Å; D487-R489 PolarHBondContact OD1-N 3.46Å; D487-L490 HydrophobicContact CB-CB 4.07Å; D487-L490 HydrophobicContact CB-CD1 4.01Å; D487-L490 HydrophobicContact CB-CG 4.05Å; D487-L490 PolarHBondContact O-N 3.12Å; D487-L490 PolarHBondContact OD1-N 2.9Å; D487-Y491 VanDerWaalsContact O-CB 3.28Å; D487-Y491 WeakPolarHBondContact O-CB 3.37Å; D487-Y491 PolarHBondContact O-N 3.37Å
488	F	94.8	Very high	94.3	Very high	55 Å²	55	55 Å²	55	24%	0.241	25%	0.252	C	S	.	.	H	α-helix	trans	-64.8	-27	-172.8	-175.5	-111	0	0	0	113.5	K479 I482 E483 F486 R492	K479-F488 HydrophobicContact CB-CE2 4.33Å; K479-F488 HydrophobicContact CD-CE1 4.24Å; K479-F488 HydrophobicContact CD-CE2 4.19Å; K479-F488 HydrophobicContact CD-CZ 3.83Å; K479-F488 HydrophobicContact CG-CD2 4.22Å; K479-F488 HydrophobicContact CG-CE2 3.69Å; K479-F488 HydrophobicContact CG-CZ 3.87Å; I482-F488 HydrophobicContact CB-CD2 4.47Å; I482-F488 HydrophobicContact CG2-CD2 3.83Å; I482-F488 HydrophobicContact CG2-CE2 4.46Å; E483-F488 HydrophobicContact CG-CB 3.84Å; E483-F488 HydrophobicContact CG-CD2 4.09Å; E483-F488 HydrophobicContact CG-CG 4.1Å; F486-F488 PolarHBondContact O-N 3.47Å; F488-R492 HydrophobicContact CE1-CG 4.45Å; F488-R492 HydrophobicContact CE2-CG 4.38Å; F488-R492 HydrophobicContact CZ-CG 4.25Å; F488-R492 WeakPolarHBondContact O-CB 3.38Å; F488-R492 VanDerWaalsContact O-CG 3.27Å; F488-R492 WeakPolarHBondContact O-CG 3.42Å; F488-R492 PolarHBondContact O-N 2.96Å
489	R	94.2	Very high	93.7	Very high	205 Å²	205	61.8 Å²	61.8	77%	0.774	28%	0.284	S	S	*	.	H	α-helix	trans	-76	-48.4	177.5	-59.7	174	61.1	-166	-3.5	110.2	D487 R492 L493	D487-R489 PolarHBondContact O-N 2.92Å; D487-R489 WeakPolarHBondContact OD1-CA 3.45Å; D487-R489 VanDerWaalsContact OD1-CB 3.27Å; D487-R489 WeakPolarHBondContact OD1-CB 3.41Å; D487-R489 PolarHBondContact OD1-N 3.46Å; R489-R492 PolarHBondContact O-N 3.38Å; R489-L493 PolarHBondContact O-N 3.32Å
490	L	94.7	Very high	93.1	Very high	42 Å²	42	60 Å²	60	22%	0.22	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-41.1	177.2	-62.2	-177.9	0	0	0	111.3	I343 D487 R492 L493 W494 L509	I343-L490 HydrophobicContact CB-CB 3.74Å; I343-L490 HydrophobicContact CG2-CB 3.71Å; D487-L490 HydrophobicContact CB-CB 4.07Å; D487-L490 HydrophobicContact CB-CD1 4.01Å; D487-L490 HydrophobicContact CB-CG 4.05Å; D487-L490 PolarHBondContact O-N 3.12Å; D487-L490 PolarHBondContact OD1-N 2.9Å; L490-R492 PolarHBondContact O-N 3.31Å; L490-L493 WeakPolarHBondContact O-CB 3.42Å; L490-L493 PolarHBondContact O-N 2.89Å; L490-W494 WeakPolarHBondContact O-CB 3.49Å; L490-W494 PolarHBondContact O-N 3.44Å; L490-L509 HydrophobicContact CD2-CD2 4.41Å
491	Y	95.1	Very high	91.9	Very high	6 Å²	6	63.9 Å²	63.9	2%	0.024	30%	0.296	C	S	.	.	H	α-helix	trans	-56.4	-48.7	172.9	-179.3	-93.9	0	0	0	112	I343 M440 E473 I482 F486 D487 L493 W494 K495	I343-Y491 HydrophobicContact CD1-CD2 4Å; M440-Y491 HydrophobicContact CE-CE1 4.27Å; M440-Y491 HydrophobicContact CE-CE2 3.52Å; M440-Y491 WeakPolarHBondContact CE-OH 3.4Å; E473-Y491 VanDerWaalsContact CD-OH 3.29Å; E473-Y491 PolarHBondContact OE2-OH 3Å; I482-Y491 HydrophobicContact CD1-CD1 4Å; I482-Y491 HydrophobicContact CD1-CE1 3.59Å; I482-Y491 HydrophobicContact CG1-CD1 4.36Å; I482-Y491 HydrophobicContact CG1-CE1 4.15Å; I482-Y491 HydrophobicContact CG2-CD1 3.58Å; I482-Y491 HydrophobicContact CG2-CD2 4.21Å; I482-Y491 HydrophobicContact CG2-CE1 4.22Å; I482-Y491 HydrophobicContact CG2-CG 3.61Å; F486-Y491 HydrophobicContact CB-CD2 4.24Å; F486-Y491 HydrophobicContact CB-CG 4.36Å; F486-Y491 HydrophobicContact CD1-CD2 4.3Å; F486-Y491 AromaticContact CD2-CD2 3.87Å; F486-Y491 HydrophobicContact CD2-CD2 3.87Å; F486-Y491 HydrophobicContact CD2-CE2 4.37Å; F486-Y491 HydrophobicContact CE2-CD2 4.26Å; F486-Y491 HydrophobicContact CE2-CE2 4.36Å; F486-Y491 AromaticContact CG-CD2 3.88Å; F486-Y491 HydrophobicContact CG-CD2 3.88Å; F486-Y491 HydrophobicContact CG-CG 4.47Å; D487-Y491 VanDerWaalsContact O-CB 3.28Å; D487-Y491 WeakPolarHBondContact O-CB 3.37Å; D487-Y491 PolarHBondContact O-N 3.37Å; Y491-L493 VanDerWaalsContact C-N 3.32Å; Y491-L493 PolarHBondContact O-N 3.43Å; Y491-W494 HydrophobicContact CD2-CE3 4.3Å; Y491-W494 HydrophobicContact CE2-CE3 4.03Å; Y491-W494 AromaticContact CE2-CZ3 3.82Å; Y491-W494 HydrophobicContact CE2-CZ3 3.82Å; Y491-K495 HydrophobicContact CE1-CB 4.14Å; Y491-K495 HydrophobicContact CE1-CD 4.5Å; Y491-K495 HydrophobicContact CE1-CG 4.23Å; Y491-K495 WeakPolarHBondContact O-CB 3.37Å; Y491-K495 PolarHBondContact O-N 2.86Å; Y491-K495 WeakPolarHBondContact OH-CD 3.33Å; Y491-K495 WeakPolarHBondContact OH-CE 3.33Å; Y491-K495 PolarHBondContact OH-NZ 3.38Å
492	R	93.6	Very high	90.3	Very high	164 Å²	164	68.6 Å²	68.6	62%	0.619	32%	0.321	S	S	*	.	H	α-helix	trans	-62.8	-38.8	177.5	-76.9	-179.2	67.1	-166.9	1	112.4	F488 R489 L490 S496	F488-R492 HydrophobicContact CE1-CG 4.45Å; F488-R492 HydrophobicContact CE2-CG 4.38Å; F488-R492 HydrophobicContact CZ-CG 4.25Å; F488-R492 WeakPolarHBondContact O-CB 3.38Å; F488-R492 VanDerWaalsContact O-CG 3.27Å; F488-R492 WeakPolarHBondContact O-CG 3.42Å; F488-R492 PolarHBondContact O-N 2.96Å; R489-R492 PolarHBondContact O-N 3.38Å; L490-R492 PolarHBondContact O-N 3.31Å; R492-S496 WeakPolarHBondContact O-CB 3.36Å; R492-S496 PolarHBondContact O-N 3Å; R492-S496 PolarHBondContact O-OG 3.28Å
493	L	92.5	Very high	88.3	Confident	54 Å²	54	75.5 Å²	75.5	28%	0.283	36%	0.357	S	S	.	.	H	α-helix	trans	-63.7	-55	177.3	179.9	57.5	0	0	0	110.9	R489 L490 Y491 K495 S496 R497 V508 L509	R489-L493 PolarHBondContact O-N 3.32Å; L490-L493 WeakPolarHBondContact O-CB 3.42Å; L490-L493 PolarHBondContact O-N 2.89Å; Y491-L493 VanDerWaalsContact C-N 3.32Å; Y491-L493 PolarHBondContact O-N 3.43Å; L493-K495 PolarHBondContact O-N 3.07Å; L493-S496 PolarHBondContact O-N 2.92Å; L493-S496 PolarHBondContact O-OG 3.09Å; L493-R497 PolarHBondContact O-N 3.49Å; L493-V508 HydrophobicContact CD1-CG1 4.4Å; L493-V508 HydrophobicContact CD2-CG1 3.9Å; L493-V508 HydrophobicContact CG-CG1 4.35Å; L493-L509 HydrophobicContact CD2-CD2 4.16Å
494	W	93.3	Very high	86.6	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-54.7	-50.2	174.7	172.1	91.2	0	0	0	111.4	V334 P335 K336 I340 I343 F389 L490 Y491 S496 R497 Q498	V334-W494 HydrophobicContact CG1-CH2 3.74Å; V334-W494 HydrophobicContact CG1-CZ2 3.99Å; P335-W494 WeakPolarHBondContact O-CZ2 3.49Å; K336-W494 PolarHBondContact O-NE1 3.31Å; I340-W494 HydrophobicContact CD1-CH2 3.94Å; I340-W494 HydrophobicContact CD1-CZ2 3.61Å; I340-W494 HydrophobicContact CG1-CH2 4.16Å; I340-W494 HydrophobicContact CG1-CZ2 3.5Å; I343-W494 HydrophobicContact CD1-CB 3.93Å; I343-W494 HydrophobicContact CD1-CD2 3.93Å; I343-W494 HydrophobicContact CD1-CE3 4.03Å; I343-W494 HydrophobicContact CD1-CG 3.88Å; I343-W494 HydrophobicContact CG2-CB 4.19Å; F389-W494 AromaticContact CE1-CH2 3.82Å; F389-W494 HydrophobicContact CE1-CH2 3.82Å; F389-W494 HydrophobicContact CE1-CZ3 4.1Å; F389-W494 AromaticContact CZ-CH2 3.69Å; F389-W494 HydrophobicContact CZ-CH2 3.69Å; F389-W494 AromaticContact CZ-CZ3 3.99Å; F389-W494 HydrophobicContact CZ-CZ3 3.99Å; L490-W494 WeakPolarHBondContact O-CB 3.49Å; L490-W494 PolarHBondContact O-N 3.44Å; Y491-W494 HydrophobicContact CD2-CE3 4.3Å; Y491-W494 HydrophobicContact CE2-CE3 4.03Å; Y491-W494 AromaticContact CE2-CZ3 3.82Å; Y491-W494 HydrophobicContact CE2-CZ3 3.82Å; W494-S496 VanDerWaalsContact C-N 3.3Å; W494-S496 PolarHBondContact O-N 3.46Å; W494-R497 CarbonylContact O-C 3.44Å; W494-R497 PolarHBondContact O-N 3.46Å; W494-Q498 PolarHBondContact O-N 3.46Å
495	K	92.4	Very high	84.9	Confident	54 Å²	54	74.3 Å²	74.3	24%	0.235	35%	0.351	C	S	.	.	H	α-helix	trans	-59.4	-38.5	-179.5	-168	64.8	166.2	-147.2	0	112.6	E473 Y491 L493 R497	E473-K495 IonicContact OE1-NZ 2.75Å; E473-K495 PolarHBondContact OE1-NZ 2.9Å; E473-K495 WeakPolarHBondContact OE2-CE 3.43Å; E473-K495 IonicContact OE2-NZ 2.89Å; E473-K495 PolarHBondContact OE2-NZ 3.25Å; Y491-K495 HydrophobicContact CE1-CB 4.14Å; Y491-K495 HydrophobicContact CE1-CD 4.5Å; Y491-K495 HydrophobicContact CE1-CG 4.23Å; Y491-K495 WeakPolarHBondContact O-CB 3.37Å; Y491-K495 PolarHBondContact O-N 2.86Å; Y491-K495 WeakPolarHBondContact OH-CD 3.33Å; Y491-K495 WeakPolarHBondContact OH-CE 3.33Å; Y491-K495 PolarHBondContact OH-NZ 3.38Å; L493-K495 PolarHBondContact O-N 3.07Å; K495-R497 VanDerWaalsContact C-N 3.27Å; K495-R497 PolarHBondContact O-N 3.5Å
496	S	90.4	Very high	83.2	Confident	93 Å²	93	79.9 Å²	79.9	65%	0.65	38%	0.381	S	S	*	.	H	α-helix	trans	-67.9	-26.8	177	75.8	0	0	0	0	113.3	R492 L493 W494	R492-S496 WeakPolarHBondContact O-CB 3.36Å; R492-S496 PolarHBondContact O-N 3Å; R492-S496 PolarHBondContact O-OG 3.28Å; L493-S496 PolarHBondContact O-N 2.92Å; L493-S496 PolarHBondContact O-OG 3.09Å; W494-S496 VanDerWaalsContact C-N 3.3Å; W494-S496 PolarHBondContact O-N 3.46Å
497	R	87.9	Confident	81.5	Confident	81 Å²	81	86.6 Å²	86.6	31%	0.306	42%	0.417	S	S	.	.	H	α-helix	trans	-107.2	-7.2	-175.9	-63.8	-176.5	174.8	-140	5.1	114.2	L493 W494 K495 H499 S500 D504 F505	L493-R497 PolarHBondContact O-N 3.49Å; W494-R497 CarbonylContact O-C 3.44Å; W494-R497 PolarHBondContact O-N 3.46Å; K495-R497 VanDerWaalsContact C-N 3.27Å; K495-R497 PolarHBondContact O-N 3.5Å; R497-H499 PolarHBondContact O-N 2.91Å; R497-S500 WeakPolarHBondContact O-CA 3.46Å; R497-S500 WeakPolarHBondContact O-CB 3.37Å; R497-S500 PolarHBondContact O-N 3.13Å; R497-D504 PolarHBondContact NH1-O 3Å; R497-F505 HydrophobicContact CB-CE1 4.22Å; R497-F505 HydrophobicContact CB-CE2 3.58Å; R497-F505 HydrophobicContact CB-CZ 3.25Å; R497-F505 HydrophobicContact CG-CZ 4.47Å; R497-F505 WeakPolarHBondContact O-CE2 3.48Å; R497-F505 VanDerWaalsContact O-CZ 3.28Å; R497-F505 WeakPolarHBondContact O-CZ 3.39Å
498	Q	85.6	Confident	79.8	Confident	25 Å²	25	86 Å²	86	12%	0.117	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-24.7	-170.8	75	179.6	2.9	0	0	114.4	P335 W494	P335-Q498 HydrophobicContact CB-CB 4.27Å; P335-Q498 HydrophobicContact CB-CG 4.35Å; W494-Q498 PolarHBondContact O-N 3.46Å
499	H	83.1	Confident	78	Confident	141 Å²	141	86.5 Å²	86.5	65%	0.653	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	6.2	175.9	-56.8	-55.3	0	0	0	113.7	R497	R497-H499 PolarHBondContact O-N 2.91Å
500	S	82.2	Confident	77.2	Confident	44 Å²	44	80.6 Å²	80.6	31%	0.308	40%	0.403	S	S	.	.			trans	-70.6	135.4	175.9	-172.1	0	0	0	0	110.4	K336 R497 L502	K336-S500 PolarHBondContact NZ-O 3.29Å; R497-S500 WeakPolarHBondContact O-CA 3.46Å; R497-S500 WeakPolarHBondContact O-CB 3.37Å; R497-S500 PolarHBondContact O-N 3.13Å; S500-L502 VanDerWaalsContact C-N 3.33Å; S500-L502 PolarHBondContact OG-N 3.35Å
501	K	71.9	Confident	76.3	Confident	207 Å²	207	82.6 Å²	82.6	90%	0.9	41%	0.413	S	S	*	.			trans	-82.4	-10.6	174.6	-62.6	-173.6	178.2	-174	0	113.4	L503	K501-L503 PolarHBondContact O-N 3.12Å
502	L	61.9	Low	75.3	Confident	105 Å²	105	86.9 Å²	86.9	55%	0.55	43%	0.434	S	S	.	.			trans	-65.5	131.6	170.9	-72.5	159	0	0	0	108.5	S500 D504	S500-L502 VanDerWaalsContact C-N 3.33Å; S500-L502 PolarHBondContact OG-N 3.35Å; L502-D504 VanDerWaalsContact C-N 3.29Å
503	L	56.4	Low	74.2	Confident	148 Å²	148	82.4 Å²	82.4	78%	0.775	42%	0.423	S	S	*	.			trans	-81.6	-14.7	-175.8	-68.4	170.2	0	0	0	111.8	K501 F505	K501-L503 PolarHBondContact O-N 3.12Å; L503-F505 PolarHBondContact O-N 2.95Å
504	D	60.3	Low	73	Confident	68 Å²	68	84.1 Å²	84.1	36%	0.364	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	59.3	-178.6	8.1	-50.2	0	0	0	112.6	R497 L502 V508	R497-D504 PolarHBondContact NH1-O 3Å; L502-D504 VanDerWaalsContact C-N 3.29Å; D504-V508 WeakPolarHBondContact O-CG2 3.5Å
505	F	60.2	Low	71.7	Confident	4 Å²	4	89.7 Å²	89.7	2%	0.018	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-38.3	166.9	-98.4	-108.8	0	0	0	111.6	K336 Y339 R497 L503 D507 V508 L509	K336-F505 HydrophobicContact CD-CD1 4.09Å; K336-F505 HydrophobicContact CD-CD2 4.11Å; K336-F505 HydrophobicContact CD-CE1 3.71Å; K336-F505 HydrophobicContact CD-CE2 3.73Å; K336-F505 HydrophobicContact CD-CG 4.25Å; K336-F505 HydrophobicContact CD-CZ 3.49Å; K336-F505 VanDerWaalsContact CD-CZ 3.49Å; Y339-F505 HydrophobicContact CD1-CB 4.29Å; Y339-F505 HydrophobicContact CD1-CD1 4.22Å; Y339-F505 HydrophobicContact CD2-CD1 4.17Å; Y339-F505 HydrophobicContact CE1-CB 3.72Å; Y339-F505 HydrophobicContact CE1-CD1 4.45Å; Y339-F505 HydrophobicContact CE2-CB 4.18Å; Y339-F505 HydrophobicContact CE2-CD1 4.38Å; Y339-F505 HydrophobicContact CE2-CG 4.48Å; Y339-F505 HydrophobicContact CG-CD1 4.07Å; R497-F505 HydrophobicContact CB-CE1 4.22Å; R497-F505 HydrophobicContact CB-CE2 3.58Å; R497-F505 HydrophobicContact CB-CZ 3.25Å; R497-F505 HydrophobicContact CG-CZ 4.47Å; R497-F505 WeakPolarHBondContact O-CE2 3.48Å; R497-F505 VanDerWaalsContact O-CZ 3.28Å; R497-F505 WeakPolarHBondContact O-CZ 3.39Å; L503-F505 PolarHBondContact O-N 2.95Å; F505-D507 PolarHBondContact O-N 3.3Å; F505-V508 PolarHBondContact O-N 3.36Å; F505-V508 VanDerWaalsContact O-N 3.12Å; F505-L509 HydrophobicContact CD1-CD1 3.98Å; F505-L509 HydrophobicContact CE1-CD1 4.46Å; F505-L509 PolarHBondContact O-N 3.08Å
506	D	62.4	Low	70.2	Confident	117 Å²	117	92.3 Å²	92.3	63%	0.626	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-27.7	179.5	-53.9	-38.6	0	0	0	112	Y339 V508	Y339-D506 WeakPolarHBondContact CE1-OD1 3.16Å; Y339-D506 PolarHBondContact OH-OD1 3.33Å; D506-V508 VanDerWaalsContact C-N 3.31Å; D506-V508 PolarHBondContact O-N 3.24Å
507	D	61.7	Low	68.7	Low	142 Å²	142	92.2 Å²	92.2	76%	0.759	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-0.6	176.9	-63.5	-40.1	0	0	0	114.2	F505	F505-D507 PolarHBondContact O-N 3.3Å
508	V	61.7	Low	67.1	Low	50 Å²	50	93.2 Å²	93.2	30%	0.303	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.3	-15.1	-161	172.3	0	0	0	0	115.1	L493 D504 F505 D506	L493-V508 HydrophobicContact CD1-CG1 4.4Å; L493-V508 HydrophobicContact CD2-CG1 3.9Å; L493-V508 HydrophobicContact CG-CG1 4.35Å; D504-V508 WeakPolarHBondContact O-CG2 3.5Å; F505-V508 PolarHBondContact O-N 3.36Å; F505-V508 VanDerWaalsContact O-N 3.12Å; D506-V508 VanDerWaalsContact C-N 3.31Å; D506-V508 PolarHBondContact O-N 3.24Å
509	L	57.3	Low	65.4	Low	67 Å²	67	99.4 Å²	99.4	35%	0.351	51%	0.51	S	S	.	.			trans	-119.4	0	-178.1	-68.2	178.1	0	0	0	112.3	Y339 I343 L490 L493 F505	Y339-L509 HydrophobicContact CD1-CD1 4.08Å; Y339-L509 HydrophobicContact CG-CD1 4.41Å; I343-L509 HydrophobicContact CG2-CD1 4.29Å; I343-L509 HydrophobicContact CG2-CD2 3.95Å; L490-L509 HydrophobicContact CD2-CD2 4.41Å; L493-L509 HydrophobicContact CD2-CD2 4.16Å; F505-L509 HydrophobicContact CD1-CD1 3.98Å; F505-L509 HydrophobicContact CE1-CD1 4.46Å; F505-L509 PolarHBondContact O-N 3.08Å

Retrieved 509 of 509 residues in 1219.5 ms (Link to these results)

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