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NMDA receptor synaptonuclear signaling and neuronal migration factor

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, Species MOUSE (Mus musculus, Mouse), Gene Nsmf, Length 532 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52	Low	51.3	Low	231 Å²	231	117.1 Å²	117.1	100%	1.138	64%	0.639	S	S	*	*				0	-9.4	0	-63	-172.1	-138.9	0	0	116.2	A3	M1-A3 PolarHBondContact O-N 3.45Å; M1-A3 VanDerWaalsContact O-N 3.09Å
2	G	52.5	Low	51.6	Low	62 Å²	62	123 Å²	123	64%	0.639	64%	0.644	S	S	*	*	H	α-helix	trans	-58.7	-28.1	-163.7	0	0	0	0	0	119	A4 A5 S6	G2-A4 VanDerWaalsContact C-N 3.32Å; G2-A4 PolarHBondContact O-N 3.4Å; G2-A5 PolarHBondContact O-N 3.4Å; G2-S6 PolarHBondContact O-N 3.32Å
3	A	53.6	Low	51.8	Low	69 Å²	69	119.9 Å²	119.9	57%	0.57	64%	0.64	S	S	*	*	H	α-helix	trans	-61.2	-34.4	-173.4	0	0	0	0	0	114.3	M1 S6 R7	M1-A3 PolarHBondContact O-N 3.45Å; M1-A3 VanDerWaalsContact O-N 3.09Å; A3-S6 PolarHBondContact O-N 2.95Å; A3-R7 PolarHBondContact O-N 3.08Å
4	A	49.4	Very low	52	Low	63 Å²	63	119.9 Å²	119.9	52%	0.521	63%	0.634	S	S	.	*	H	α-helix	trans	-68.6	-38.7	-179	0	0	0	0	0	112.6	G2 R7 R8	G2-A4 VanDerWaalsContact C-N 3.32Å; G2-A4 PolarHBondContact O-N 3.4Å; A4-R7 PolarHBondContact O-N 2.72Å; A4-R8 PolarHBondContact O-N 3.38Å
5	A	49.4	Very low	52.2	Low	49 Å²	49	115.1 Å²	115.1	41%	0.405	62%	0.618	S	S	.	*	H	α-helix	trans	-65.1	-41.6	177.6	0	0	0	0	0	111.6	G2 R8 R9	G2-A5 PolarHBondContact O-N 3.4Å; A5-R8 PolarHBondContact O-N 2.67Å; A5-R9 WeakPolarHBondContact O-CG 3.35Å; A5-R9 PolarHBondContact O-N 3.07Å
6	S	57.9	Low	52.3	Low	82 Å²	82	115.2 Å²	115.2	57%	0.573	62%	0.615	S	S	*	*	H	α-helix	trans	-59.8	-48.1	175.8	-174.3	0	0	0	0	111.8	G2 A3 R8 R9 A10	G2-S6 PolarHBondContact O-N 3.32Å; A3-S6 PolarHBondContact O-N 2.95Å; S6-R8 PolarHBondContact O-N 2.91Å; S6-R9 PolarHBondContact O-N 3.35Å; S6-A10 PolarHBondContact O-N 2.81Å
7	R	44.9	Very low	53	Low	186 Å²	186	110.8 Å²	110.8	70%	0.702	60%	0.596	S	S	*	*	H	α-helix	trans	-60	-43.9	175.8	-65.8	-177.3	-167.6	-163.8	5	112.2	A3 A4 R9 A10 L11	A3-R7 PolarHBondContact O-N 3.08Å; A4-R7 PolarHBondContact O-N 2.72Å; R7-R9 PolarHBondContact O-N 3.05Å; R7-A10 PolarHBondContact O-N 3.03Å; R7-L11 WeakPolarHBondContact O-CG 3.46Å; R7-L11 PolarHBondContact O-N 3.43Å
8	R	47.3	Very low	54	Low	184 Å²	184	107.4 Å²	107.4	69%	0.694	58%	0.582	S	S	*	*	H	α-helix	trans	-63	-38.3	176.7	-74.4	-176.3	178.2	-174.8	0.4	112.9	A4 A5 S6 R12	A4-R8 PolarHBondContact O-N 3.38Å; A5-R8 PolarHBondContact O-N 2.67Å; S6-R8 PolarHBondContact O-N 2.91Å; R8-R12 WeakPolarHBondContact O-CG 3.34Å; R8-R12 PolarHBondContact O-N 2.88Å
9	R	55.3	Low	54.9	Low	194 Å²	194	105.7 Å²	105.7	73%	0.732	58%	0.576	S	S	*	*	H	α-helix	trans	-67.4	-44	174.1	-70.5	-179.3	-170.9	166.2	2.7	111.9	A5 S6 R7 R12 S13	A5-R9 WeakPolarHBondContact O-CG 3.35Å; A5-R9 PolarHBondContact O-N 3.07Å; S6-R9 PolarHBondContact O-N 3.35Å; R7-R9 PolarHBondContact O-N 3.05Å; R9-R12 PolarHBondContact O-N 3.43Å; R9-S13 PolarHBondContact O-N 3.28Å
10	A	51.9	Low	55.6	Low	56 Å²	56	102.4 Å²	102.4	46%	0.463	56%	0.563	S	S	.	*	H	α-helix	trans	-59.2	-50	178.1	0	0	0	0	0	111.9	S6 R7 R12 S13 E14	S6-A10 PolarHBondContact O-N 2.81Å; R7-A10 PolarHBondContact O-N 3.03Å; A10-R12 VanDerWaalsContact C-N 3.34Å; A10-R12 PolarHBondContact O-N 3.31Å; A10-S13 PolarHBondContact O-N 2.92Å; A10-E14 WeakPolarHBondContact O-CB 3.18Å; A10-E14 PolarHBondContact O-N 3.17Å
11	L	50.4	Low	56.3	Low	112 Å²	112	97.9 Å²	97.9	59%	0.586	54%	0.539	S	S	*	.	H	α-helix	trans	-61	-38.3	178.5	-69.6	168.9	0	0	0	112.8	R7 E14 A15	R7-L11 WeakPolarHBondContact O-CG 3.46Å; R7-L11 PolarHBondContact O-N 3.43Å; L11-E14 PolarHBondContact O-N 3.33Å; L11-A15 WeakPolarHBondContact O-CB 3.38Å; L11-A15 PolarHBondContact O-N 2.94Å
12	R	54.8	Low	57.3	Low	188 Å²	188	92.5 Å²	92.5	71%	0.709	51%	0.51	S	S	*	.	H	α-helix	trans	-66.3	-42.9	174.8	-76.7	175.9	171.9	168	-4.4	112.3	R8 R9 A10 A15 M16	R8-R12 WeakPolarHBondContact O-CG 3.34Å; R8-R12 PolarHBondContact O-N 2.88Å; R9-R12 PolarHBondContact O-N 3.43Å; A10-R12 VanDerWaalsContact C-N 3.34Å; A10-R12 PolarHBondContact O-N 3.31Å; R12-A15 PolarHBondContact O-N 3.35Å; R12-M16 WeakPolarHBondContact O-CG 3.45Å; R12-M16 PolarHBondContact O-N 3.07Å
13	S	53.6	Low	58.5	Low	83 Å²	83	93.5 Å²	93.5	58%	0.58	50%	0.503	S	S	*	.	H	α-helix	trans	-63.3	-41.2	175.2	-175.5	0	0	0	0	111.9	R9 A10 M16 S17	R9-S13 PolarHBondContact O-N 3.28Å; A10-S13 PolarHBondContact O-N 2.92Å; S13-M16 PolarHBondContact O-N 2.84Å; S13-S17 VanDerWaalsContact O-CB 3.3Å; S13-S17 WeakPolarHBondContact O-CB 3.41Å; S13-S17 PolarHBondContact O-N 3.34Å
14	E	55	Low	59.5	Low	119 Å²	119	95.4 Å²	95.4	56%	0.556	50%	0.495	S	S	*	.	H	α-helix	trans	-66.9	-40.5	176.9	-174.5	158.1	-138.4	0	0	112.4	A10 L11 S17 S18	A10-E14 WeakPolarHBondContact O-CB 3.18Å; A10-E14 PolarHBondContact O-N 3.17Å; L11-E14 PolarHBondContact O-N 3.33Å; E14-S17 PolarHBondContact O-N 2.81Å; E14-S18 WeakPolarHBondContact O-CB 3.4Å; E14-S18 PolarHBondContact O-N 3.04Å
15	A	55.4	Low	60.7	Low	49 Å²	49	92.9 Å²	92.9	41%	0.405	48%	0.475	S	S	.	.	H	α-helix	trans	-61	-47.6	173.4	0	0	0	0	0	112.2	L11 R12 S18 V19	L11-A15 WeakPolarHBondContact O-CB 3.38Å; L11-A15 PolarHBondContact O-N 2.94Å; R12-A15 PolarHBondContact O-N 3.35Å; A15-S18 WeakPolarHBondContact O-CB 3.43Å; A15-S18 PolarHBondContact O-N 2.87Å; A15-V19 WeakPolarHBondContact O-CG2 3.36Å; A15-V19 PolarHBondContact O-N 2.65Å
16	M	54.2	Low	62	Low	116 Å²	116	93.2 Å²	93.2	57%	0.571	48%	0.477	S	S	*	.	H	α-helix	trans	-63.2	-41.5	175.6	-70.2	-64.6	103.8	0	0	112.1	R12 S13 S18 V19 A20	R12-M16 WeakPolarHBondContact O-CG 3.45Å; R12-M16 PolarHBondContact O-N 3.07Å; S13-M16 PolarHBondContact O-N 2.84Å; M16-S18 VanDerWaalsContact C-N 3.29Å; M16-S18 PolarHBondContact O-N 3.38Å; M16-V19 PolarHBondContact O-N 2.79Å; M16-A20 WeakPolarHBondContact O-CB 3.37Å; M16-A20 PolarHBondContact O-N 2.81Å
17	S	63.6	Low	62.9	Low	40 Å²	40	95.9 Å²	95.9	28%	0.28	48%	0.475	S	S	.	.	H	α-helix	trans	-60.4	-38.5	173.9	-169.6	0	0	0	0	112	S13 E14 A21 R252	S13-S17 VanDerWaalsContact O-CB 3.3Å; S13-S17 WeakPolarHBondContact O-CB 3.41Å; S13-S17 PolarHBondContact O-N 3.34Å; E14-S17 PolarHBondContact O-N 2.81Å; S17-A21 VanDerWaalsContact O-CB 3.29Å; S17-A21 WeakPolarHBondContact O-CB 3.28Å; S17-A21 PolarHBondContact O-N 2.96Å; S17-R252 PolarHBondContact OG-NH1 2.8Å
18	S	70.4	Confident	64.3	Low	50 Å²	50	89.7 Å²	89.7	35%	0.35	46%	0.463	S	S	.	.	H	α-helix	trans	-67.5	-43.7	175.8	-173.2	0	0	0	0	112.5	E14 A15 M16 A21 K22	E14-S18 WeakPolarHBondContact O-CB 3.4Å; E14-S18 PolarHBondContact O-N 3.04Å; A15-S18 WeakPolarHBondContact O-CB 3.43Å; A15-S18 PolarHBondContact O-N 2.87Å; M16-S18 VanDerWaalsContact C-N 3.29Å; M16-S18 PolarHBondContact O-N 3.38Å; S18-A21 PolarHBondContact O-N 2.95Å; S18-K22 VanDerWaalsContact O-CG 3.3Å; S18-K22 WeakPolarHBondContact O-CG 3.45Å; S18-K22 PolarHBondContact O-N 3.36Å
19	V	71	Confident	65.7	Low	76 Å²	76	82.7 Å²	82.7	46%	0.461	44%	0.438	S	S	.	.	H	α-helix	trans	-62.8	-49	175.3	173.7	0	0	0	0	110.9	A15 M16 A21 K22 V23	A15-V19 WeakPolarHBondContact O-CG2 3.36Å; A15-V19 PolarHBondContact O-N 2.65Å; M16-V19 PolarHBondContact O-N 2.79Å; V19-A21 VanDerWaalsContact C-N 3.3Å; V19-A21 PolarHBondContact O-N 3.31Å; V19-K22 PolarHBondContact O-N 2.51Å; V19-K22 VanDerWaalsContact O-N 3.11Å; V19-V23 HydrophobicContact CG1-CG2 4.46Å; V19-V23 WeakPolarHBondContact O-CG2 3.12Å; V19-V23 PolarHBondContact O-N 3.33Å
20	A	69.6	Low	66.8	Low	39 Å²	39	75.2 Å²	75.2	32%	0.322	42%	0.421	S	S	.	.	H	α-helix	trans	-61.8	-35.7	178.3	0	0	0	0	0	112.9	M16 R24	M16-A20 WeakPolarHBondContact O-CB 3.37Å; M16-A20 PolarHBondContact O-N 2.81Å; A20-R24 PolarHBondContact O-N 2.87Å; A20-R24 VanDerWaalsContact O-N 3.11Å
21	A	69.5	Low	67.9	Low	8 Å²	8	76.6 Å²	76.6	7%	0.066	42%	0.418	C	S	.	.	H	α-helix	trans	-68.8	-38.8	173.4	0	0	0	0	0	112.5	S17 S18 V19 A25 E253	S17-A21 VanDerWaalsContact O-CB 3.29Å; S17-A21 WeakPolarHBondContact O-CB 3.28Å; S17-A21 PolarHBondContact O-N 2.96Å; S18-A21 PolarHBondContact O-N 2.95Å; V19-A21 VanDerWaalsContact C-N 3.3Å; V19-A21 PolarHBondContact O-N 3.31Å; A21-A25 VanDerWaalsContact O-CB 3.32Å; A21-A25 WeakPolarHBondContact O-CB 3.24Å; A21-A25 PolarHBondContact O-N 3.24Å; A21-E253 HydrophobicContact CB-CG 4Å
22	K	74.5	Confident	69	Low	118 Å²	118	78.1 Å²	78.1	51%	0.513	42%	0.417	S	S	.	.	H	α-helix	trans	-64.9	-43.1	174.3	-74	170.4	-176.5	179.3	0	112	S18 V19 A25 A26	S18-K22 VanDerWaalsContact O-CG 3.3Å; S18-K22 WeakPolarHBondContact O-CG 3.45Å; S18-K22 PolarHBondContact O-N 3.36Å; V19-K22 PolarHBondContact O-N 2.51Å; V19-K22 VanDerWaalsContact O-N 3.11Å; K22-A25 PolarHBondContact O-N 2.97Å; K22-A26 WeakPolarHBondContact O-CB 3.48Å; K22-A26 PolarHBondContact O-N 3.49Å
23	V	76.4	Confident	70	Confident	82 Å²	82	72.5 Å²	72.5	50%	0.497	40%	0.4	S	S	.	.	H	α-helix	trans	-63.3	-43.8	177.1	173.8	0	0	0	0	111.1	V19 A26 R27	V19-V23 HydrophobicContact CG1-CG2 4.46Å; V19-V23 WeakPolarHBondContact O-CG2 3.12Å; V19-V23 PolarHBondContact O-N 3.33Å; V23-A26 PolarHBondContact O-N 3.49Å; V23-R27 WeakPolarHBondContact O-CB 3.39Å; V23-R27 PolarHBondContact O-N 3.15Å
24	R	74.3	Confident	70.9	Confident	109 Å²	109	72.2 Å²	72.2	41%	0.411	40%	0.399	S	S	.	.	H	α-helix	trans	-63.8	-42.7	173.8	-78	-166.9	-67.8	-83.5	-0.9	113	A20 R27 A28 E253	A20-R24 PolarHBondContact O-N 2.87Å; A20-R24 VanDerWaalsContact O-N 3.11Å; R24-R27 PolarHBondContact O-N 3.43Å; R24-A28 WeakPolarHBondContact O-CB 3.18Å; R24-A28 PolarHBondContact O-N 2.96Å; R24-E253 IonicContact CZ-OE1 3.85Å; R24-E253 VanDerWaalsContact CZ-OE1 3.26Å; R24-E253 IonicContact NE-OE1 3.33Å; R24-E253 PolarHBondContact NE-OE1 3.18Å; R24-E253 IonicContact NH2-OE1 3.77Å; R24-E253 PolarHBondContact NH2-OE1 3.09Å
25	A	75.5	Confident	71.4	Confident	11 Å²	11	74 Å²	74	9%	0.091	41%	0.407	C	S	.	.	H	α-helix	trans	-65.5	-38.7	177.6	0	0	0	0	0	112.4	A21 K22 F29 A257 I260	A21-A25 VanDerWaalsContact O-CB 3.32Å; A21-A25 WeakPolarHBondContact O-CB 3.24Å; A21-A25 PolarHBondContact O-N 3.24Å; K22-A25 PolarHBondContact O-N 2.97Å; A25-F29 VanDerWaalsContact O-CB 3.31Å; A25-F29 WeakPolarHBondContact O-CB 3.26Å; A25-F29 PolarHBondContact O-N 3.35Å; A25-A257 HydrophobicContact CB-CB 4.48Å; A25-I260 HydrophobicContact CB-CD1 3.79Å
26	A	76.7	Confident	71.7	Confident	55 Å²	55	74.1 Å²	74.1	46%	0.455	41%	0.405	S	S	.	.	H	α-helix	trans	-64.4	-41.8	173.7	0	0	0	0	0	111.9	K22 V23 F29 G30	K22-A26 WeakPolarHBondContact O-CB 3.48Å; K22-A26 PolarHBondContact O-N 3.49Å; V23-A26 PolarHBondContact O-N 3.49Å; A26-F29 PolarHBondContact O-N 3.08Å; A26-G30 PolarHBondContact O-N 3.22Å
27	R	77.1	Confident	71.3	Confident	139 Å²	139	74.6 Å²	74.6	53%	0.525	41%	0.406	S	S	.	.	H	α-helix	trans	-61.6	-51.7	175.2	-165.5	-167.5	-174.5	103.4	3	111.9	V23 R24 F29 G30 E31	V23-R27 WeakPolarHBondContact O-CB 3.39Å; V23-R27 PolarHBondContact O-N 3.15Å; R24-R27 PolarHBondContact O-N 3.43Å; R27-F29 PolarHBondContact O-N 3.33Å; R27-G30 PolarHBondContact O-N 2.7Å; R27-G30 VanDerWaalsContact O-N 3.08Å; R27-E31 WeakPolarHBondContact CD-OE1 3.29Å; R27-E31 WeakPolarHBondContact CG-OE1 3.5Å; R27-E31 IonicContact NE-OE1 2.64Å; R27-E31 PolarHBondContact NE-OE1 3Å; R27-E31 WeakPolarHBondContact O-CG 3.42Å; R27-E31 PolarHBondContact O-N 2.86Å
28	A	73.4	Confident	70.7	Confident	55 Å²	55	77.6 Å²	77.6	46%	0.455	42%	0.424	S	S	.	.	H	α-helix	trans	-62.1	-30.8	178.3	0	0	0	0	0	112.7	R24 Y32	R24-A28 WeakPolarHBondContact O-CB 3.18Å; R24-A28 PolarHBondContact O-N 2.96Å; A28-Y32 WeakPolarHBondContact O-CB 3.1Å; A28-Y32 PolarHBondContact O-N 3.2Å
29	F	77.7	Confident	69.5	Low	38 Å²	38	83.5 Å²	83.5	17%	0.167	45%	0.446	C	S	.	.	H	α-helix	trans	-72.5	-39.1	172.9	-173.6	-110.4	0	0	0	112.4	A25 A26 R27 Y32 L33 Q261 F264	A25-F29 VanDerWaalsContact O-CB 3.31Å; A25-F29 WeakPolarHBondContact O-CB 3.26Å; A25-F29 PolarHBondContact O-N 3.35Å; A26-F29 PolarHBondContact O-N 3.08Å; R27-F29 PolarHBondContact O-N 3.33Å; F29-Y32 PolarHBondContact O-N 2.83Å; F29-L33 HydrophobicContact CD1-CD1 4.08Å; F29-L33 HydrophobicContact CE1-CD1 3.67Å; F29-L33 HydrophobicContact CE1-CG 4.22Å; F29-L33 HydrophobicContact CZ-CD1 4.14Å; F29-L33 HydrophobicContact CZ-CD2 4.32Å; F29-L33 HydrophobicContact CZ-CG 4.29Å; F29-L33 WeakPolarHBondContact O-CG 3.49Å; F29-L33 PolarHBondContact O-N 2.91Å; F29-Q261 HydrophobicContact CE2-CG 4.37Å; F29-F264 HydrophobicContact CE1-CD1 4.37Å; F29-F264 HydrophobicContact CE1-CG 4.34Å; F29-F264 AromaticContact CZ-CD1 3.74Å; F29-F264 HydrophobicContact CZ-CD1 3.74Å; F29-F264 AromaticContact CZ-CE1 3.98Å; F29-F264 HydrophobicContact CZ-CE1 3.98Å; F29-F264 HydrophobicContact CZ-CG 4.09Å
30	G	77.3	Confident	68.2	Low	37 Å²	37	86.5 Å²	86.5	38%	0.381	46%	0.46	S	S	.	.	H	α-helix	trans	-63.7	-42.7	171.6	0	0	0	0	0	112.6	A26 R27 L33 S34	A26-G30 PolarHBondContact O-N 3.22Å; R27-G30 PolarHBondContact O-N 2.7Å; R27-G30 VanDerWaalsContact O-N 3.08Å; G30-L33 PolarHBondContact O-N 2.93Å; G30-S34 PolarHBondContact O-N 2.95Å
31	E	75.1	Confident	66.8	Low	84 Å²	84	95.5 Å²	95.5	39%	0.393	49%	0.485	S	S	.	.	H	α-helix	trans	-60.3	-44.7	173.4	-72.2	163.9	-175.3	0	0	110.5	R27 L33 S34 Q35	R27-E31 WeakPolarHBondContact CD-OE1 3.29Å; R27-E31 WeakPolarHBondContact CG-OE1 3.5Å; R27-E31 IonicContact NE-OE1 2.64Å; R27-E31 PolarHBondContact NE-OE1 3Å; R27-E31 WeakPolarHBondContact O-CG 3.42Å; R27-E31 PolarHBondContact O-N 2.86Å; E31-L33 PolarHBondContact O-N 3.16Å; E31-S34 WeakPolarHBondContact CA-OG 3.35Å; E31-S34 PolarHBondContact O-N 3.38Å; E31-S34 PolarHBondContact O-OG 3.2Å; E31-Q35 WeakPolarHBondContact O-CG 3.46Å; E31-Q35 PolarHBondContact O-N 3.28Å
32	Y	75	Confident	65.3	Low	144 Å²	144	103 Å²	103	57%	0.565	52%	0.524	S	S	*	.	H	α-helix	trans	-60.9	-41.4	173.4	176.3	-103	0	0	0	113.6	A28 F29 Q35 S36	A28-Y32 WeakPolarHBondContact O-CB 3.1Å; A28-Y32 PolarHBondContact O-N 3.2Å; F29-Y32 PolarHBondContact O-N 2.83Å; Y32-Q35 PolarHBondContact O-N 2.7Å; Y32-S36 WeakPolarHBondContact O-CB 3.26Å; Y32-S36 PolarHBondContact O-N 3.36Å; Y32-S36 PolarHBondContact O-OG 3.11Å
33	L	75.8	Confident	63.3	Low	70 Å²	70	101.3 Å²	101.3	37%	0.366	54%	0.54	S	S	.	.	H	α-helix	trans	-63.9	-41.2	174.6	-71.3	176.3	0	0	0	111.5	F29 G30 E31 Q35 S36 H37	F29-L33 HydrophobicContact CD1-CD1 4.08Å; F29-L33 HydrophobicContact CE1-CD1 3.67Å; F29-L33 HydrophobicContact CE1-CG 4.22Å; F29-L33 HydrophobicContact CZ-CD1 4.14Å; F29-L33 HydrophobicContact CZ-CD2 4.32Å; F29-L33 HydrophobicContact CZ-CG 4.29Å; F29-L33 WeakPolarHBondContact O-CG 3.49Å; F29-L33 PolarHBondContact O-N 2.91Å; G30-L33 PolarHBondContact O-N 2.93Å; E31-L33 PolarHBondContact O-N 3.16Å; L33-Q35 VanDerWaalsContact C-N 3.28Å; L33-Q35 PolarHBondContact O-N 2.89Å; L33-S36 WeakPolarHBondContact CA-OG 3.49Å; L33-S36 PolarHBondContact O-N 3.28Å; L33-S36 PolarHBondContact O-OG 3.03Å; L33-H37 PolarHBondContact O-N 3Å; L33-H37 VanDerWaalsContact O-N 3.17Å
34	S	72.1	Confident	61.4	Low	78 Å²	78	101.4 Å²	101.4	55%	0.545	55%	0.55	S	S	.	.	H	α-helix	trans	-67.3	-25.5	176	71.9	0	0	0	0	114	G30 E31	G30-S34 PolarHBondContact O-N 2.95Å; E31-S34 WeakPolarHBondContact CA-OG 3.35Å; E31-S34 PolarHBondContact O-N 3.38Å; E31-S34 PolarHBondContact O-OG 3.2Å
35	Q	64.8	Low	59.6	Low	155 Å²	155	103.5 Å²	103.5	72%	0.724	57%	0.569	S	S	*	*	H	α-helix	trans	-87.8	-17.6	176.3	-70.3	172.6	18.2	0	0	113.2	E31 Y32 L33	E31-Q35 WeakPolarHBondContact O-CG 3.46Å; E31-Q35 PolarHBondContact O-N 3.28Å; Y32-Q35 PolarHBondContact O-N 2.7Å; L33-Q35 VanDerWaalsContact C-N 3.28Å; L33-Q35 PolarHBondContact O-N 2.89Å
36	S	62.3	Low	58	Low	52 Å²	52	111.3 Å²	111.3	36%	0.364	60%	0.603	S	S	.	*	H	α-helix	trans	-97.9	-7.8	177.4	46.4	0	0	0	0	114.1	Y32 L33	Y32-S36 WeakPolarHBondContact O-CB 3.26Å; Y32-S36 PolarHBondContact O-N 3.36Å; Y32-S36 PolarHBondContact O-OG 3.11Å; L33-S36 WeakPolarHBondContact CA-OG 3.49Å; L33-S36 PolarHBondContact O-N 3.28Å; L33-S36 PolarHBondContact O-OG 3.03Å
37	H	46.5	Very low	56.2	Low	127 Å²	127	116 Å²	116	59%	0.588	62%	0.62	S	S	*	*			trans	-131.2	86.1	166.4	-79	-73.4	0	0	0	110.6	L33 E39	L33-H37 PolarHBondContact O-N 3Å; L33-H37 VanDerWaalsContact O-N 3.17Å; H37-E39 PolarHBondContact O-N 3.31Å
38	P	50.6	Low	54.5	Low	102 Å²	102	118 Å²	118	66%	0.662	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-20	177.4	27.2	-33.5	0	0	0	113.4	N40	P38-N40 VanDerWaalsContact C-N 3.27Å; P38-N40 PolarHBondContact O-N 2.99Å
39	E	44.5	Very low	52.7	Low	174 Å²	174	119.3 Å²	119.3	81%	0.813	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	11.6	-170.5	-58	175	126	0	0	115	H37	H37-E39 PolarHBondContact O-N 3.31Å
40	N	43.4	Very low	50.8	Low	140 Å²	140	125.2 Å²	125.2	75%	0.749	68%	0.684	S	S	*	*			trans	-120.8	37.2	-179.5	-143.7	-28.5	0	0	0	113	P38	P38-N40 VanDerWaalsContact C-N 3.27Å; P38-N40 PolarHBondContact O-N 2.99Å
41	R	40.5	Very low	48.9	Very low	228 Å²	228	127 Å²	127	86%	0.86	70%	0.695	S	S	*	*	S	Bend	trans	-126.5	79.1	163	-83.8	-175.8	164	-168.3	-4.6	108.6
42	N	37.1	Very low	47.1	Very low	166 Å²	166	133.7 Å²	133.7	89%	0.888	72%	0.718	S	S	*	*			trans	166	105.1	162.6	-85.5	-14.2	0	0	0	105.2
43	G	33.8	Very low	45.5	Very low	82 Å²	82	133.2 Å²	133.2	85%	0.845	74%	0.736	S	S	*	*			trans	172.8	15	-168.4	0	0	0	0	0	117.5
44	A	35.6	Very low	43.6	Very low	84 Å²	84	133.7 Å²	133.7	69%	0.694	76%	0.758	S	S	*	*	S	Bend	trans	-137.2	151.1	159.9	0	0	0	0	0	106.4
45	D	37.3	Very low	42	Very low	152 Å²	152	139.1 Å²	139.1	81%	0.813	78%	0.775	S	S	*	*	S	Bend	trans	58.2	56.4	177.9	-52.3	-34.8	0	0	0	116.4
46	H	41.4	Very low	40.7	Very low	176 Å²	176	138.7 Å²	138.7	82%	0.815	78%	0.778	S	S	*	*			trans	-147.4	101	144.4	-97.3	-60.5	0	0	0	113.2
47	L	40	Very low	39.5	Very low	153 Å²	153	139.6 Å²	139.6	80%	0.801	80%	0.795	S	S	*	*			trans	39	132.6	140.6	-56	178.1	0	0	0	121.6	A49	L47-A49 PolarHBondContact O-N 3.12Å
48	L	40.7	Very low	39.1	Very low	181 Å²	181	138.8 Å²	138.8	95%	0.948	80%	0.804	S	S	*	*			trans	-56.9	119.7	154.6	-63.1	160.4	0	0	0	110.7
49	A	36.5	Very low	38.8	Very low	83 Å²	83	139.5 Å²	139.5	69%	0.686	81%	0.808	S	S	*	*			trans	-160.4	144.9	158.1	0	0	0	0	0	111.9	L47	L47-A49 PolarHBondContact O-N 3.12Å
50	D	36.6	Very low	38.3	Very low	162 Å²	162	140.3 Å²	140.3	87%	0.866	81%	0.812	S	S	*	*			trans	49.3	99.1	147.8	-55	-19.4	0	0	0	120.2
51	A	38.5	Very low	37.9	Very low	75 Å²	75	141.8 Å²	141.8	62%	0.62	82%	0.817	S	S	*	*			trans	-73.1	170.9	163.3	0	0	0	0	0	113.1
52	Y	36.6	Very low	37.6	Very low	223 Å²	223	140 Å²	140	88%	0.875	82%	0.818	S	S	*	*			trans	69.3	87.9	166.1	-48.6	-68.4	0	0	0	118
53	S	41.5	Very low	37.6	Very low	134 Å²	134	138 Å²	138	94%	0.937	81%	0.814	S	S	*	*			trans	-153.9	132.2	134.4	-82.9	0	0	0	0	109.2
54	G	34.8	Very low	37.7	Very low	81 Å²	81	138.7 Å²	138.7	84%	0.835	81%	0.812	S	S	*	*			trans	-119	140	178.3	0	0	0	0	0	111.1
55	H	40.2	Very low	37.8	Very low	191 Å²	191	140.4 Å²	140.4	88%	0.884	82%	0.816	S	S	*	*			trans	-143.8	136	162.6	-162.7	-68.3	0	0	0	108.6
56	D	36.8	Very low	37.9	Very low	147 Å²	147	141.2 Å²	141.2	79%	0.786	82%	0.815	S	S	*	*			trans	-90.8	155	-179.7	-151.3	-25.5	0	0	0	110.7
57	G	36.4	Very low	37.7	Very low	71 Å²	71	140.3 Å²	140.3	73%	0.732	82%	0.816	S	S	*	*			trans	162.5	116.2	-176.6	0	0	0	0	0	114.5
58	S	39.4	Very low	37.7	Very low	110 Å²	110	141.6 Å²	141.6	77%	0.769	82%	0.815	S	S	*	*			trans	-157.1	170.2	-173.1	-143.8	0	0	0	0	109.5
59	P	43	Very low	37.6	Very low	117 Å²	117	144.7 Å²	144.7	76%	0.76	81%	0.814	S	S	*	*				-132.1	170.7	-58.7	36.7	-22.9	0	0	0	112.4
60	E	33.7	Very low	37.5	Very low	191 Å²	191	152.1 Å²	152.1	89%	0.893	82%	0.824	S	S	*	*			trans	-148.1	157.6	156.3	-143.3	177.7	114.7	0	0	113.5
61	M	35.1	Very low	37.3	Very low	171 Å²	171	152.8 Å²	152.8	84%	0.842	83%	0.827	S	S	*	*			trans	-114.2	137.6	-174.6	-80.7	-168.2	-73	0	0	113
62	Q	33.9	Very low	37.1	Very low	189 Å²	189	154.6 Å²	154.6	88%	0.883	84%	0.835	S	S	*	*			trans	-142.7	126.9	146.7	-72	-160.3	9.6	0	0	112.5
63	P	37.2	Very low	36.8	Very low	126 Å²	126	152.2 Å²	152.2	82%	0.818	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-95.9	130.6	170	34.3	-30.1	0	0	0	112.4
64	A	35.7	Very low	36.5	Very low	95 Å²	95	152 Å²	152	79%	0.785	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-72.3	148.7	-177.8	0	0	0	0	0	114.2
65	P	38.3	Very low	36.5	Very low	120 Å²	120	153.5 Å²	153.5	78%	0.779	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-80	148	-169.9	30.9	-36.3	0	0	0	115.4
66	Q	39.4	Very low	36	Very low	170 Å²	170	152.3 Å²	152.3	79%	0.794	83%	0.827	S	S	*	*			trans	-90.8	104	-173.8	-61.4	178	7.3	0	0	113.3	K68	Q66-K68 PolarHBondContact O-N 3.37Å
67	N	38	Very low	35.8	Very low	156 Å²	156	149 Å²	149	83%	0.834	83%	0.827	S	S	*	*			trans	-74.9	111.1	178.7	-96.4	-63.1	0	0	0	113.6
68	K	38.6	Very low	35.4	Very low	181 Å²	181	157 Å²	157	79%	0.787	84%	0.836	S	S	*	*			trans	-104.4	94.8	174.7	-68.7	175	-177	166.9	0	111.6	Q66 R70	Q66-K68 PolarHBondContact O-N 3.37Å; K68-R70 PolarHBondContact O-N 3.45Å
69	R	40.4	Very low	35	Very low	245 Å²	245	163.3 Å²	163.3	93%	0.925	84%	0.844	S	S	*	*			trans	-79.1	115.5	170.7	-76.7	-174.8	173.2	173.7	-1.8	111.3
70	R	34.4	Very low	34.3	Very low	239 Å²	239	166.2 Å²	166.2	90%	0.902	85%	0.848	S	S	*	*			trans	-74	147.8	160.9	-77.6	166.7	62.4	-157.7	1.9	109.3	K68	K68-R70 PolarHBondContact O-N 3.45Å
71	L	32.3	Very low	34.3	Very low	176 Å²	176	159.2 Å²	159.2	92%	0.921	83%	0.827	S	S	*	*			trans	-112.9	132.2	160.4	-76.1	168.5	0	0	0	108.4
72	S	33	Very low	34.2	Very low	114 Å²	114	155.7 Å²	155.7	80%	0.797	82%	0.819	S	S	*	*			trans	-90.2	159.5	174.1	38.8	0	0	0	0	111.3
73	L	29.9	Very low	34	Very low	172 Å²	172	154.3 Å²	154.3	90%	0.901	82%	0.816	S	S	*	*			trans	-97.3	138.8	179.1	-168.1	71.8	0	0	0	109.6
74	V	36	Very low	33.7	Very low	129 Å²	129	153.6 Å²	153.6	78%	0.782	81%	0.814	S	S	*	*			trans	-125.7	149.6	171.1	-178.6	0	0	0	0	108.5
75	S	34.1	Very low	33.6	Very low	113 Å²	113	154.1 Å²	154.1	79%	0.79	80%	0.804	S	S	*	*			trans	-88.9	159.1	-159.5	47.8	0	0	0	0	115.9
76	N	29.7	Very low	33.4	Very low	166 Å²	166	157.5 Å²	157.5	89%	0.888	81%	0.809	S	S	*	*			trans	-73.2	145.6	175.4	-56.4	-33.8	0	0	0	112.4
77	G	32.6	Very low	33	Very low	77 Å²	77	152.8 Å²	152.8	79%	0.794	80%	0.799	S	S	*	*			trans	-120.3	150.8	156.6	0	0	0	0	0	110.2
78	R	28.9	Very low	32.8	Very low	239 Å²	239	151.8 Å²	151.8	90%	0.902	80%	0.798	S	S	*	*			trans	-110.3	157.5	175.1	-52	-178.9	-172.4	-174.2	3	109.8
79	Y	30.9	Very low	32.3	Very low	243 Å²	243	149 Å²	149	95%	0.953	80%	0.802	S	S	*	*			trans	-160.3	168.5	139.8	-110.7	-73.1	0	0	0	110.9
80	E	28.7	Very low	32	Very low	179 Å²	179	141 Å²	141	84%	0.836	80%	0.795	S	S	*	*			trans	-157.7	145.4	-154	179.2	175.2	-121.4	0	0	111.5
81	G	33.8	Very low	32.1	Very low	43 Å²	43	139.2 Å²	139.2	44%	0.443	79%	0.794	S	S	.	*			trans	82.1	155.8	174.4	0	0	0	0	0	116.4	Q229	G81-Q229 VanDerWaalsContact CA-OE1 3.28Å; G81-Q229 PolarHBondContact O-NE2 3.45Å
82	S	31.2	Very low	32.6	Very low	98 Å²	98	136 Å²	136	69%	0.685	78%	0.783	S	S	*	*			cis	-167.3	170.3	-20.7	-153.1	0	0	0	0	111.9
83	I	31.7	Very low	32.5	Very low	159 Å²	159	134.7 Å²	134.7	82%	0.815	78%	0.78	S	S	*	*			trans	58.5	156.1	162.3	62.2	169.5	0	0	0	119.8
84	S	30.2	Very low	32.7	Very low	111 Å²	111	135 Å²	135	78%	0.776	78%	0.78	S	S	*	*			cis	-150	173.3	0.7	32.3	0	0	0	0	112.2
85	D	34.1	Very low	32.4	Very low	107 Å²	107	138 Å²	138	57%	0.572	79%	0.786	S	S	*	*			trans	-117.6	150.9	-170.1	-90.5	-87	0	0	0	116.3	L225	D85-L225 VanDerWaalsContact OD1-CD2 3.24Å; D85-L225 WeakPolarHBondContact OD1-CD2 3.46Å; D85-L225 WeakPolarHBondContact OD2-CD1 3.48Å; D85-L225 WeakPolarHBondContact OD2-CD2 3.33Å
86	E	33.1	Very low	32.4	Very low	190 Å²	190	135.7 Å²	135.7	89%	0.888	78%	0.78	S	S	*	*			trans	-176	156.2	142.1	-90.9	-143.7	90	0	0	109.2
87	A	31.8	Very low	32.7	Very low	72 Å²	72	134.1 Å²	134.1	60%	0.595	78%	0.779	S	S	*	*			cis	-170.2	178.6	-25.5	0	0	0	0	0	110.7
88	V	33.7	Very low	32.7	Very low	134 Å²	134	138.8 Å²	138.8	81%	0.812	78%	0.78	S	S	*	*			trans	79.2	92.6	159.5	-166.7	0	0	0	0	121.4
89	S	28.5	Very low	33	Very low	124 Å²	124	132.2 Å²	132.2	87%	0.867	77%	0.768	S	S	*	*				59.5	128.8	119	-153.2	0	0	0	0	124.6
90	G	33.5	Very low	33.4	Very low	75 Å²	75	128.1 Å²	128.1	77%	0.773	76%	0.758	S	S	*	*			trans	-177.7	136.9	159.7	0	0	0	0	0	113.1
91	K	36	Very low	33.9	Very low	203 Å²	203	123.1 Å²	123.1	88%	0.883	74%	0.739	S	S	*	*			trans	-149	170.7	-171.7	-101.3	-162.2	174.4	-172.1	0	110.5
92	P	42.4	Very low	34.2	Very low	107 Å²	107	129 Å²	129	70%	0.695	75%	0.749	S	S	*	*			cis	-142.5	-168.4	-35.6	41.1	-22.9	0	0	0	114.3
93	A	31.2	Very low	34.9	Very low	88 Å²	88	129 Å²	129	73%	0.727	75%	0.745	S	S	*	*			trans	79.2	130.4	144.3	0	0	0	0	0	122.5
94	I	35.5	Very low	35.6	Very low	178 Å²	178	123.2 Å²	123.2	91%	0.913	72%	0.716	S	S	*	*				-167.5	158.4	116.7	-95.8	161.1	0	0	0	109
95	E	28.3	Very low	36.3	Very low	192 Å²	192	121.4 Å²	121.4	90%	0.897	70%	0.703	S	S	*	*			trans	-110.7	163.2	-165.3	-173.9	171.2	-155	0	0	113.1
96	G	34.3	Very low	36.7	Very low	64 Å²	64	125.4 Å²	125.4	66%	0.66	71%	0.71	S	S	*	*			trans	-156.7	152.8	178.9	0	0	0	0	0	114.5
97	P	36.1	Very low	37.1	Very low	134 Å²	134	125 Å²	125	87%	0.87	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-88.1	152.3	-163.1	34.1	-37.1	0	0	0	116
98	Q	31.9	Very low	37.4	Very low	174 Å²	174	126.3 Å²	126.3	81%	0.813	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-82.7	144.5	176.5	-76.9	-170.2	-19.3	0	0	114.3
99	P	35.4	Very low	37.4	Very low	101 Å²	101	124.9 Å²	124.9	66%	0.656	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-77.7	139	172.8	32.7	-34.3	0	0	0	112.1
100	H	40.6	Very low	37.7	Very low	158 Å²	158	126.7 Å²	126.7	73%	0.731	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-84.7	129.3	178.2	-72.4	41.5	0	0	0	111.8	Y102	H100-Y102 HydrophobicContact CB-CE2 4.5Å
101	V	38.4	Very low	38	Very low	74 Å²	74	131 Å²	131	45%	0.448	72%	0.716	S	S	.	*			trans	-116.4	122.1	174.9	-179.7	0	0	0	0	109.7	P364 L378	V101-P364 HydrophobicContact CG2-CG 4.38Å; V101-L378 HydrophobicContact CG1-CD2 4.37Å
102	Y	41.3	Very low	38	Very low	165 Å²	165	127.2 Å²	127.2	65%	0.647	71%	0.713	S	S	*	*			trans	-91.6	133.4	174.3	-62.3	-89.3	0	0	0	110	H100	H100-Y102 HydrophobicContact CB-CE2 4.5Å
103	T	46	Very low	37.4	Very low	98 Å²	98	126 Å²	126	60%	0.601	72%	0.719	S	S	*	*			trans	-109.7	128.2	174.8	-60.7	0	0	0	0	109.4	S105	T103-S105 PolarHBondContact O-N 2.86Å
104	I	45	Very low	37.5	Very low	39 Å²	39	127.8 Å²	127.8	20%	0.2	73%	0.727	C	S	.	*	B	Isolated β-bridge	trans	-85.3	107.4	173.4	-58.2	173.2	0	0	0	108.9	D388 E392	I104-D388 HydrophobicContact CG2-CB 4.47Å; I104-E392 HydrophobicContact CD1-CB 3.69Å; I104-E392 HydrophobicContact CD1-CG 3.76Å
105	S	45.7	Very low	37.3	Very low	73 Å²	73	128.2 Å²	128.2	51%	0.51	73%	0.725	S	S	.	*			trans	-149.6	122.1	169.2	178.8	0	0	0	0	108.5	T103	T103-S105 PolarHBondContact O-N 2.86Å
106	R	42.5	Very low	37.5	Very low	190 Å²	190	123.1 Å²	123.1	72%	0.717	72%	0.716	S	S	*	*			trans	-85.6	110.9	174.5	-60.8	-173.5	-168.9	-143.9	3.1	108.9	D388	R106-D388 IonicContact CZ-OD1 3.3Å; R106-D388 IonicContact NE-OD1 3.89Å; R106-D388 PolarHBondContact NE-OD1 3.05Å; R106-D388 VanDerWaalsContact NE-OD1 3.15Å; R106-D388 IonicContact NH2-OD1 3.09Å; R106-D388 PolarHBondContact NH2-OD1 3.17Å
107	E	41.7	Very low	37.4	Very low	181 Å²	181	129.2 Å²	129.2	85%	0.846	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-90.4	130.9	171.4	-173.8	167	-144.1	0	0	110.1
108	P	37.3	Very low	37.1	Very low	100 Å²	100	126.9 Å²	126.9	65%	0.649	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-78.7	125.8	175.9	30.8	-32.3	0	0	0	110.6	L110	P108-L110 PolarHBondContact O-N 2.85Å
109	A	33.8	Very low	37.4	Very low	105 Å²	105	126.6 Å²	126.6	87%	0.868	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-63.7	123.1	178.7	0	0	0	0	0	111.6
110	L	34.8	Very low	37.2	Very low	161 Å²	161	130 Å²	130	84%	0.843	73%	0.728	S	S	*	*			trans	-118.2	118	172.9	-68.5	175.5	0	0	0	109.5	P108	P108-L110 PolarHBondContact O-N 2.85Å
111	L	39.2	Very low	37	Very low	165 Å²	165	130.7 Å²	130.7	86%	0.864	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-81.3	151.5	169.9	-66.2	174.1	0	0	0	109.9
112	P	36.1	Very low	36.7	Very low	125 Å²	125	131 Å²	131	81%	0.812	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-66.3	142.9	177.1	28.9	-35	0	0	0	111
113	G	29.8	Very low	36.6	Very low	80 Å²	80	129.7 Å²	129.7	83%	0.825	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-85.6	168.2	-175.2	0	0	0	0	0	114.8
114	S	33.8	Very low	36.2	Very low	127 Å²	127	130.4 Å²	130.4	89%	0.888	76%	0.76	S	S	*	*			trans	-133	159.2	158	-176.1	0	0	0	0	108.4
115	E	31.1	Very low	35.9	Very low	186 Å²	186	138.2 Å²	138.2	87%	0.869	79%	0.792	S	S	*	*			trans	-89.5	-175.2	-168.5	-58.6	175.9	113	0	0	113.7
116	A	33.4	Very low	35.1	Very low	86 Å²	86	137.9 Å²	137.9	71%	0.711	80%	0.8	S	S	*	*			trans	85.3	120.8	168.8	0	0	0	0	0	118.3
117	E	30.9	Very low	34.8	Very low	192 Å²	192	140.8 Å²	140.8	90%	0.897	81%	0.811	S	S	*	*				33.9	143.8	122.3	-56.3	-178	142.7	0	0	120.2
118	A	31.3	Very low	34.3	Very low	84 Å²	84	142.4 Å²	142.4	69%	0.694	81%	0.81	S	S	*	*			cis	-178.1	-166.6	-11.5	0	0	0	0	0	106.7
119	I	37.7	Very low	34.1	Very low	169 Å²	169	145 Å²	145	87%	0.867	81%	0.813	S	S	*	*			trans	78.2	130.9	162.3	-56.9	170.2	0	0	0	115.9
120	E	30.8	Very low	34	Very low	171 Å²	171	149 Å²	149	80%	0.799	81%	0.806	S	S	*	*			trans	-85.6	160.8	177.8	-47.7	169.1	115.7	0	0	111.5
121	L	36.1	Very low	33.9	Very low	173 Å²	173	146.9 Å²	146.9	91%	0.906	79%	0.792	S	S	*	*				-176.7	163.5	109.8	-99.3	155.4	0	0	0	112.4
122	A	33.4	Very low	33.7	Very low	82 Å²	82	147.6 Å²	147.6	68%	0.678	78%	0.783	S	S	*	*			trans	-110.6	159	-172.1	0	0	0	0	0	113.1
123	V	38.4	Very low	33.7	Very low	137 Å²	137	149 Å²	149	83%	0.83	78%	0.778	S	S	*	*			trans	171.9	120.4	145.9	147.3	0	0	0	0	106.2
124	V	36.6	Very low	34.2	Very low	113 Å²	113	150.5 Å²	150.5	69%	0.685	77%	0.773	S	S	*	*			cis	100.3	128	36.5	168.9	0	0	0	0	112.8
125	K	38.9	Very low	34.5	Very low	203 Å²	203	152 Å²	152	88%	0.883	77%	0.766	S	S	*	*			trans	79.5	134.8	-173.5	-58.8	159.2	-177.9	172	0	115
126	G	30.1	Very low	35	Very low	66 Å²	66	150.3 Å²	150.3	68%	0.68	76%	0.758	S	S	*	*			cis	109.9	134.5	-16.1	0	0	0	0	0	116.6
127	R	36	Very low	35.3	Very low	250 Å²	250	154.6 Å²	154.6	94%	0.943	76%	0.763	S	S	*	*			trans	85.8	153	-171.3	-60.6	-179.1	175.4	-160.4	-1.1	114.7
128	R	31.7	Very low	35.6	Very low	216 Å²	216	150.1 Å²	150.1	82%	0.815	75%	0.753	S	S	*	*			cis	171.9	150.8	-38.8	-117	-171	-179.5	-168.3	1.8	106.9
129	Q	33.2	Very low	36	Very low	155 Å²	155	155 Å²	155	72%	0.724	76%	0.761	S	S	*	*			trans	66.3	153.7	160.3	-80.8	172.1	-40.3	0	0	116.7
130	R	31	Very low	36	Very low	187 Å²	187	152.5 Å²	152.5	71%	0.706	76%	0.756	S	S	*	*			cis	-168.1	158.8	-21.9	-135.8	-176.8	176.6	-170.2	3.5	108
131	E	32.7	Very low	36.4	Very low	118 Å²	118	152 Å²	152	55%	0.551	76%	0.758	S	S	*	*			trans	67.6	156.2	156.8	-67.6	172.3	114	0	0	115.7
132	R	34.3	Very low	36.4	Very low	180 Å²	180	154.8 Å²	154.8	68%	0.679	76%	0.756	S	S	*	*			cis	-161.5	161.1	-1.2	-126.5	168.7	-151.1	-149.2	18.1	112.3
133	H	37.2	Very low	36.6	Very low	154 Å²	154	155.5 Å²	155.5	71%	0.713	76%	0.762	S	S	*	*			trans	69.5	133.7	158.9	-64.6	-60.7	0	0	0	122
134	P	40.2	Very low	36.4	Very low	111 Å²	111	154.5 Å²	154.5	72%	0.721	76%	0.761	S	S	*	*			trans	-111.3	164.3	171.7	41.4	-33.1	0	0	0	113.6
135	H	39.6	Very low	36.8	Very low	159 Å²	159	155.3 Å²	155.3	74%	0.736	77%	0.769	S	S	*	*			trans	-158.1	126.6	166.2	-94.6	-77	0	0	0	115
136	H	41.4	Very low	36.8	Very low	151 Å²	151	149 Å²	149	70%	0.699	76%	0.761	S	S	*	*			trans	61.2	162.9	158	-49	-56	0	0	0	118.7
137	H	39.8	Very low	37.2	Very low	176 Å²	176	151.9 Å²	151.9	82%	0.815	77%	0.771	S	S	*	*			cis	-132.7	178.6	8.2	-109.1	-67.6	0	0	0	113.1
138	S	36.8	Very low	37.5	Very low	97 Å²	97	145.1 Å²	145.1	68%	0.678	76%	0.762	S	S	*	*			trans	-136.4	156.1	-168	54.6	0	0	0	0	113.8
139	Q	39.1	Very low	38	Very low	186 Å²	186	144 Å²	144	87%	0.869	76%	0.758	S	S	*	*			trans	-176.9	137.4	138.2	-107.3	177.7	36.7	0	0	114.7
140	P	37.7	Very low	38.4	Very low	117 Å²	117	143 Å²	143	76%	0.76	75%	0.754	S	S	*	*			trans	-132.8	140.5	166.6	38.1	-24.1	0	0	0	115.2
141	L	39.4	Very low	38.9	Very low	160 Å²	160	140.9 Å²	140.9	84%	0.838	76%	0.756	S	S	*	*			trans	-157.4	167.9	172.2	-70.1	178.4	0	0	0	111.3
142	R	37.7	Very low	39.5	Very low	233 Å²	233	142.7 Å²	142.7	88%	0.879	77%	0.768	S	S	*	*			cis	-171.2	154.3	-48.1	-155.6	179.6	-172.8	-164.5	3.4	109.8
143	A	36.9	Very low	39.6	Very low	96 Å²	96	138.6 Å²	138.6	79%	0.793	77%	0.767	S	S	*	*			trans	81.1	165.1	156.9	0	0	0	0	0	121.2
144	S	33.6	Very low	39.7	Very low	116 Å²	116	142.4 Å²	142.4	81%	0.811	78%	0.775	S	S	*	*			trans	-131.7	-152.4	-168.9	-44.8	0	0	0	0	108.8
145	P	45.6	Very low	39.6	Very low	130 Å²	130	143 Å²	143	84%	0.844	78%	0.779	S	S	*	*			cis	-136.5	-171.7	-20.7	40.6	-22.7	0	0	0	114.6
146	G	38.2	Very low	39.2	Very low	71 Å²	71	141 Å²	141	73%	0.732	78%	0.781	S	S	*	*			trans	135.7	132.1	137.5	0	0	0	0	0	120.5
147	S	38.1	Very low	39.1	Very low	126 Å²	126	141.8 Å²	141.8	88%	0.881	79%	0.785	S	S	*	*			trans	49.6	148.8	156.8	-90.7	0	0	0	0	121.3
148	S	43	Very low	38.6	Very low	109 Å²	109	138.7 Å²	138.7	76%	0.762	78%	0.784	S	S	*	*			cis	-157.4	178.5	-11.6	48.2	0	0	0	0	106.5
149	R	42.1	Very low	38.6	Very low	192 Å²	192	145.4 Å²	145.4	73%	0.725	79%	0.794	S	S	*	*			cis	178.6	140.3	45.4	179.9	-172.2	158.9	125.7	19.2	109.2
150	E	41.8	Very low	38.4	Very low	135 Å²	135	141.3 Å²	141.3	63%	0.631	79%	0.792	S	S	*	*			trans	55.2	146.9	153	-73.4	160	-146.4	0	0	121.7
151	D	41.8	Very low	38.4	Very low	142 Å²	142	139.5 Å²	139.5	76%	0.759	79%	0.794	S	S	*	*			cis	-165.1	-171.2	-17	-144.7	-33	0	0	0	111.6
152	I	45.5	Very low	38.1	Very low	155 Å²	155	137.5 Å²	137.5	80%	0.795	79%	0.794	S	S	*	*			trans	88.1	86.3	163.6	-46.8	-164.7	0	0	0	118.2
153	S	36.1	Very low	38.2	Very low	95 Å²	95	138.3 Å²	138.3	66%	0.664	80%	0.797	S	S	*	*			trans	-52.7	166.5	147.3	-79.6	0	0	0	0	114
154	R	38.7	Very low	38.2	Very low	234 Å²	234	143.2 Å²	143.2	88%	0.883	80%	0.804	S	S	*	*			cis	-163.8	173.4	9.9	-120.5	169.3	-172.6	-160.5	2.8	109.2
155	P	39	Very low	38.3	Very low	123 Å²	123	141.2 Å²	141.2	80%	0.799	80%	0.801	S	S	*	*			trans	-107.1	-175.9	-172.2	41.6	-35	0	0	0	115.7
156	C	30.6	Very low	37.8	Very low	116 Å²	116	140.3 Å²	140.3	78%	0.784	80%	0.798	S	S	*	*			trans	103.9	113.5	159.3	-161.7	0	0	0	0	117.7
157	Q	40.2	Very low	37.9	Very low	169 Å²	169	144.1 Å²	144.1	79%	0.79	79%	0.794	S	S	*	*				-174.3	152.6	106.7	-96.7	-175.9	15.2	0	0	112
158	S	28.4	Very low	37.7	Very low	111 Å²	111	145.1 Å²	145.1	78%	0.776	79%	0.785	S	S	*	*			trans	-94	152.6	176.3	54.4	0	0	0	0	111.9
159	W	37.2	Very low	37.3	Very low	237 Å²	237	146.3 Å²	146.3	90%	0.898	79%	0.792	S	S	*	*			trans	-127.5	115.9	166.2	-85	83	0	0	0	110.9
160	A	35.8	Very low	37.1	Very low	101 Å²	101	143.4 Å²	143.4	84%	0.835	80%	0.797	S	S	*	*			trans	-89.8	142.8	163	0	0	0	0	0	109.1
161	G	36.6	Very low	37	Very low	78 Å²	78	140.2 Å²	140.2	80%	0.804	80%	0.801	S	S	*	*			trans	-161.6	53	-170	0	0	0	0	0	114.5	R163	G161-R163 PolarHBondContact O-N 3.21Å
162	S	32.7	Very low	36.9	Very low	118 Å²	118	139.8 Å²	139.8	83%	0.825	81%	0.808	S	S	*	*			trans	-68.8	126	175.2	-178.3	0	0	0	0	111.8
163	R	40.9	Very low	36.7	Very low	251 Å²	251	137.5 Å²	137.5	95%	0.947	81%	0.812	S	S	*	*			trans	-139.2	151.7	156	-77.8	-163.3	175.9	-90.6	-3.3	110.6	G161	G161-R163 PolarHBondContact O-N 3.21Å
164	Q	36.3	Very low	36.9	Very low	199 Å²	199	141.3 Å²	141.3	93%	0.93	82%	0.819	S	S	*	*			trans	-124.2	145.6	-164.3	-174.2	-179.2	29.5	0	0	110.5
165	G	34.9	Very low	36.8	Very low	73 Å²	73	137.1 Å²	137.1	75%	0.753	81%	0.814	S	S	*	*			trans	101.5	161.4	178.3	0	0	0	0	0	113.9
166	S	35.8	Very low	36.7	Very low	111 Å²	111	137.4 Å²	137.4	78%	0.776	81%	0.813	S	S	*	*			cis	-162.7	151	-4.6	-162	0	0	0	0	111.7
167	K	39.7	Very low	37	Very low	151 Å²	151	137.5 Å²	137.5	66%	0.657	81%	0.812	S	S	*	*			trans	60.6	120.5	158.1	-77.1	-177.8	160.3	-72.2	0	121.5
168	E	34	Very low	36.5	Very low	148 Å²	148	132.9 Å²	132.9	69%	0.692	81%	0.81	S	S	*	*				55.6	117.7	121.8	-64	151.1	-162.9	0	0	121.1
169	C	35.3	Very low	37.1	Very low	134 Å²	134	134 Å²	134	91%	0.905	82%	0.815	S	S	*	*			trans	-149.3	103.4	152.3	-127	0	0	0	0	110.4
170	P	38.4	Very low	37	Very low	130 Å²	130	128.6 Å²	128.6	84%	0.844	81%	0.813	S	S	*	*			trans	-99.6	133.2	178	34.8	-30	0	0	0	113.3
171	G	38.9	Very low	36.8	Very low	69 Å²	69	129.5 Å²	129.5	71%	0.711	81%	0.813	S	S	*	*			trans	157.4	145.4	179.3	0	0	0	0	0	109
172	C	40	Very low	36.9	Very low	132 Å²	132	137.3 Å²	137.3	89%	0.892	82%	0.819	S	S	*	*			cis	-141	-176.2	18.6	-68.8	0	0	0	0	112.4
173	A	40.9	Very low	36.8	Very low	108 Å²	108	135.9 Å²	135.9	89%	0.893	81%	0.813	S	S	*	*			trans	76.5	119.2	172	0	0	0	0	0	117.3
174	Q	40.4	Very low	36.6	Very low	174 Å²	174	133.8 Å²	133.8	81%	0.813	81%	0.812	S	S	*	*			trans	-121	140.5	-177.6	-106	-172.3	-14.5	0	0	110.6
175	L	37.6	Very low	36.5	Very low	146 Å²	146	127.2 Å²	127.2	76%	0.764	80%	0.798	S	S	*	*			trans	62.7	163.5	147.4	-52.5	167.4	0	0	0	116.7
176	V	36.5	Very low	36.8	Very low	129 Å²	129	131.4 Å²	131.4	78%	0.782	80%	0.802	S	S	*	*			cis	-136.1	148.8	3.3	-178.9	0	0	0	0	108.6
177	P	36.2	Very low	36.6	Very low	118 Å²	118	133.1 Å²	133.1	77%	0.766	80%	0.798	S	S	*	*			trans	-104.3	163.9	175.2	39	-34.1	0	0	0	115.2
178	G	30.9	Very low	36.4	Very low	73 Å²	73	133.3 Å²	133.3	75%	0.753	80%	0.801	S	S	*	*			trans	115.5	130.6	151.6	0	0	0	0	0	117.6
179	P	39.1	Very low	36.8	Very low	134 Å²	134	131.1 Å²	131.1	87%	0.87	80%	0.799	S	S	*	*			trans	-98.1	165.9	177.4	38.5	-34.9	0	0	0	113.8
180	S	35.4	Very low	37.1	Very low	123 Å²	123	129.4 Å²	129.4	86%	0.86	79%	0.787	S	S	*	*			trans	-147.3	159	162	69.2	0	0	0	0	112.1
181	S	32.6	Very low	37.1	Very low	120 Å²	120	130.9 Å²	130.9	84%	0.839	79%	0.787	S	S	*	*			trans	-121.3	146.1	-174.4	-49.3	0	0	0	0	111.6
182	R	38.4	Very low	37.2	Very low	243 Å²	243	132.9 Å²	132.9	92%	0.917	79%	0.787	S	S	*	*			trans	-146.6	149.8	164.1	-101.7	178.9	178.8	165.6	1	110.6
183	A	31.3	Very low	37.1	Very low	87 Å²	87	134.6 Å²	134.6	72%	0.719	78%	0.782	S	S	*	*			trans	-147.6	135	-176.8	0	0	0	0	0	111.4
184	F	36.7	Very low	37	Very low	207 Å²	207	132.9 Å²	132.9	91%	0.908	77%	0.768	S	S	*	*			trans	-159.3	147.7	167.2	-62.6	-75.3	0	0	0	106.2
185	G	33.9	Very low	36.9	Very low	62 Å²	62	130.9 Å²	130.9	64%	0.639	77%	0.77	S	S	*	*			cis	157.6	142.7	-9.1	0	0	0	0	0	111.4
186	L	40.6	Very low	36.8	Very low	161 Å²	161	127.4 Å²	127.4	84%	0.843	77%	0.769	S	S	*	*			trans	70.3	151.7	170.3	-46.8	177.1	0	0	0	116.1
187	E	32.6	Very low	36.9	Very low	146 Å²	146	132.8 Å²	132.8	68%	0.682	78%	0.775	S	S	*	*			cis	-167.7	-171.1	-17.3	-103.2	-161.3	101.7	0	0	108
188	Q	35.3	Very low	36.9	Very low	155 Å²	155	136 Å²	136	72%	0.724	78%	0.78	S	S	*	*				-148.6	-147.7	-64.4	-137.6	-168	132.8	0	0	110.5
189	P	42.5	Very low	37.4	Very low	102 Å²	102	142.3 Å²	142.3	66%	0.662	79%	0.787	S	S	*	*			trans	-117.5	-144.3	-157	42	-18.5	0	0	0	111.5
190	P	40	Very low	37.2	Very low	98 Å²	98	144.4 Å²	144.4	64%	0.636	78%	0.782	S	S	*	*			cis	-141.4	157.3	-12.1	38.1	-18.3	0	0	0	119.3
191	L	39.7	Very low	37.2	Very low	161 Å²	161	144.1 Å²	144.1	84%	0.843	77%	0.77	S	S	*	*			trans	67.4	168.6	140.9	-71.6	168	0	0	0	119.7
192	P	40	Very low	37.4	Very low	111 Å²	111	145.3 Å²	145.3	72%	0.721	76%	0.763	S	S	*	*			cis	-116.7	-138.8	5.6	32.3	-8.5	0	0	0	113.1
193	E	38.9	Very low	37.3	Very low	169 Å²	169	143.1 Å²	143.1	79%	0.79	75%	0.754	S	S	*	*			cis	-158	-146.3	8.1	-137.5	-55.6	81	0	0	112.3
194	A	37.4	Very low	37.6	Very low	71 Å²	71	148 Å²	148	59%	0.587	76%	0.764	S	S	*	*			trans	-95.9	173	-157	0	0	0	0	0	120.2
195	P	39.1	Very low	37.2	Very low	133 Å²	133	148.4 Å²	148.4	86%	0.864	76%	0.761	S	S	*	*			trans	-127.3	178.3	-164	43.6	-29.2	0	0	0	117.3
196	G	35.4	Very low	37.5	Very low	73 Å²	73	151 Å²	151	75%	0.753	77%	0.77	S	S	*	*			trans	-158.6	103.8	177.4	0	0	0	0	0	120.6
197	R	38.6	Very low	37.4	Very low	241 Å²	241	148.8 Å²	148.8	91%	0.909	76%	0.763	S	S	*	*			trans	57.3	98.8	142.2	-68.2	-174.7	164.9	-157.2	-3.6	124.4
198	H	36	Very low	37.5	Very low	185 Å²	185	149.4 Å²	149.4	86%	0.856	77%	0.771	S	S	*	*			trans	13.5	130.2	131	-54.4	-83.7	0	0	0	124.3
199	K	41.6	Very low	37.8	Very low	206 Å²	206	145.8 Å²	145.8	90%	0.896	78%	0.775	S	S	*	*				155.4	128.9	127.2	-86.9	167.8	-178.8	-177.6	0	108.3
200	K	34.9	Very low	37.3	Very low	179 Å²	179	147.7 Å²	147.7	78%	0.778	79%	0.785	S	S	*	*			cis	98.8	113.4	19.7	-157.6	-142.6	175.4	-168.5	0	114.9
201	L	36.1	Very low	37	Very low	116 Å²	116	148.3 Å²	148.3	61%	0.607	79%	0.791	S	S	*	*			trans	69.4	156.2	175.1	-69.3	162.7	0	0	0	115
202	E	37	Very low	36.7	Very low	146 Å²	146	147.9 Å²	147.9	68%	0.682	79%	0.79	S	S	*	*			cis	-134.1	-171.3	8.6	-161.3	98.6	-146.3	0	0	111.9
203	R	35.7	Very low	36.7	Very low	197 Å²	197	149.9 Å²	149.9	74%	0.743	79%	0.794	S	S	*	*			trans	-88.5	157.3	-179.6	-53.6	169.2	175.4	83.7	-2.6	111.1
204	M	37.1	Very low	36.7	Very low	188 Å²	188	147.9 Å²	147.9	93%	0.926	79%	0.794	S	S	*	*				-161.6	162.3	126.3	-109.1	160.1	67.6	0	0	111.5
205	Y	28.9	Very low	36.8	Very low	216 Å²	216	149.9 Å²	149.9	85%	0.847	80%	0.8	S	S	*	*			trans	-111.3	136.5	-176.5	-110.7	-99.3	0	0	0	110.1
206	S	39.4	Very low	36.5	Very low	117 Å²	117	150.4 Å²	150.4	82%	0.818	79%	0.794	S	S	*	*			trans	-148.8	118.3	152.4	-68.6	0	0	0	0	105.5
207	V	38.6	Very low	36.4	Very low	114 Å²	114	157.4 Å²	157.4	69%	0.691	80%	0.798	S	S	*	*				84	114.9	54.7	176.7	0	0	0	0	112
208	D	34.9	Very low	36.3	Very low	159 Å²	159	151.5 Å²	151.5	85%	0.85	79%	0.789	S	S	*	*			trans	56.6	121.2	162.9	-56.4	-14	0	0	0	122.1
209	G	41.6	Very low	36.2	Very low	79 Å²	79	153.2 Å²	153.2	81%	0.814	79%	0.788	S	S	*	*			trans	-159	115.2	163.1	0	0	0	0	0	108.2
210	V	31.7	Very low	35.7	Very low	143 Å²	143	152.5 Å²	152.5	87%	0.867	79%	0.785	S	S	*	*			trans	-92.6	134.3	-166.9	178.1	0	0	0	0	112
211	S	34.9	Very low	35.9	Very low	111 Å²	111	149.8 Å²	149.8	78%	0.776	79%	0.786	S	S	*	*			trans	-167.4	152.4	145.5	-163.8	0	0	0	0	110.7
212	D	33.7	Very low	35.9	Very low	151 Å²	151	153.9 Å²	153.9	81%	0.807	80%	0.799	S	S	*	*			trans	-75	141.9	-176.5	-50.4	-95.1	0	0	0	114.6
213	D	38.3	Very low	35.9	Very low	153 Å²	153	155.5 Å²	155.5	82%	0.818	81%	0.806	S	S	*	*				-166.6	159.1	108.5	-153.6	-17.6	0	0	0	109.8
214	V	39.1	Very low	36.2	Very low	128 Å²	128	153.2 Å²	153.2	78%	0.776	81%	0.809	S	S	*	*			trans	-135.3	117.5	-175.8	176.8	0	0	0	0	112.4
215	P	39.8	Very low	36.4	Very low	112 Å²	112	148.9 Å²	148.9	73%	0.727	79%	0.789	S	S	*	*			trans	-137.7	123.5	135.3	22.6	-2.9	0	0	0	115.3
216	I	32.7	Very low	37.1	Very low	144 Å²	144	145.4 Å²	145.4	74%	0.738	78%	0.779	S	S	*	*			trans	52.1	85.6	138.8	-46.4	177.7	0	0	0	116.6	T218	I216-T218 HydrophobicContact CG2-CG2 4.23Å; I216-T218 PolarHBondContact O-N 3.07Å
217	R	33.6	Very low	37.7	Very low	220 Å²	220	142.1 Å²	142.1	83%	0.83	76%	0.755	S	S	*	*			trans	-75.9	86.2	174.7	-164.5	-179.9	-160.2	-86.9	4.8	112.3
218	T	36.2	Very low	38.3	Very low	117 Å²	117	145.6 Å²	145.6	72%	0.718	76%	0.762	S	S	*	*			trans	-67.7	148.7	175.3	50.8	0	0	0	0	112.5	I216	I216-T218 HydrophobicContact CG2-CG2 4.23Å; I216-T218 PolarHBondContact O-N 3.07Å
219	W	34.6	Very low	39.3	Very low	222 Å²	222	142 Å²	142	84%	0.841	74%	0.74	S	S	*	*			trans	-100	17.9	-154.7	-103	71.8	0	0	0	116.6
220	F	30.7	Very low	40.3	Very low	191 Å²	191	141.5 Å²	141.5	84%	0.838	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-98	123.9	-173.9	-76.6	-84.7	0	0	0	113.3	K222	F220-K222 PolarHBondContact O-N 3.44Å
221	P	40.3	Very low	41.6	Very low	121 Å²	121	136 Å²	136	79%	0.786	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-61.9	116.6	171.6	-21.2	33.5	0	0	0	110.5	E223	P221-E223 PolarHBondContact O-N 3.07Å
222	K	34.8	Very low	43.1	Very low	203 Å²	203	133.8 Å²	133.8	88%	0.883	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-70.2	123.5	-175.6	-162.5	173	-174.1	178.5	0	110.4	F220 N224	F220-K222 PolarHBondContact O-N 3.44Å; K222-N224 PolarHBondContact O-N 3.26Å
223	E	38.1	Very low	44.8	Very low	180 Å²	180	130.9 Å²	130.9	84%	0.841	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-57.4	117.2	178.4	-61.8	141	-103.4	0	0	110.9	P221	P221-E223 PolarHBondContact O-N 3.07Å
224	N	41.2	Very low	46	Very low	148 Å²	148	126 Å²	126	79%	0.791	64%	0.636	S	S	*	*			trans	-166.2	149.9	156.6	-110.3	-17.4	0	0	0	112.5	K222	K222-N224 PolarHBondContact O-N 3.26Å
225	L	42.1	Very low	47.2	Very low	97 Å²	97	126.4 Å²	126.4	51%	0.508	63%	0.631	S	S	.	*			trans	64.2	63.4	155.7	-66.1	160.5	0	0	0	118.7	D85 S227	D85-L225 VanDerWaalsContact OD1-CD2 3.24Å; D85-L225 WeakPolarHBondContact OD1-CD2 3.46Å; D85-L225 WeakPolarHBondContact OD2-CD1 3.48Å; D85-L225 WeakPolarHBondContact OD2-CD2 3.33Å; L225-S227 PolarHBondContact O-N 3.32Å
226	F	42.5	Very low	48.7	Very low	144 Å²	144	126.6 Å²	126.6	63%	0.632	62%	0.622	S	S	*	*			trans	-66.5	79.3	145.1	-131.9	-65.2	0	0	0	109.4	T230 A231 T234	F226-T230 HydrophobicContact CD1-CG2 4Å; F226-T230 HydrophobicContact CE1-CG2 3.83Å; F226-A231 HydrophobicContact CD1-CB 3.91Å; F226-A231 HydrophobicContact CE1-CB 4.36Å; F226-T234 HydrophobicContact CE1-CG2 4.47Å; F226-T234 HydrophobicContact CZ-CG2 4.22Å
227	S	52	Low	50.3	Low	47 Å²	47	121.7 Å²	121.7	33%	0.329	60%	0.603	S	S	.	*			trans	-53	150.4	-177.7	86.5	0	0	0	0	111.4	L225 Q229 T230 A231	L225-S227 PolarHBondContact O-N 3.32Å; S227-Q229 PolarHBondContact O-N 2.9Å; S227-Q229 PolarHBondContact OG-N 2.86Å; S227-T230 CarbonylContact O-C 3.54Å; S227-T230 WeakPolarHBondContact O-CA 3.17Å; S227-T230 WeakPolarHBondContact O-CB 3.36Å; S227-T230 PolarHBondContact O-N 3.38Å; S227-T230 WeakPolarHBondContact OG-CB 3.39Å; S227-T230 PolarHBondContact OG-N 2.95Å; S227-T230 PolarHBondContact OG-OG1 2.86Å; S227-A231 WeakPolarHBondContact O-CB 3.38Å; S227-A231 PolarHBondContact O-N 3.39Å
228	F	51	Low	51.9	Low	188 Å²	188	116 Å²	116	83%	0.825	59%	0.588	S	S	*	*	H	α-helix	trans	-55.2	-29.6	178.9	-99	-86.3	0	0	0	113.2	T232	F228-T232 WeakPolarHBondContact O-CB 3.3Å; F228-T232 PolarHBondContact O-N 3.03Å; F228-T232 PolarHBondContact O-OG1 3.39Å
229	Q	57.4	Low	53.2	Low	84 Å²	84	112.9 Å²	112.9	39%	0.393	57%	0.571	S	S	.	*	H	α-helix	trans	-77.8	-37.2	174.8	-59.1	-164.7	-1.7	0	0	112.4	G81 S227 T233	G81-Q229 VanDerWaalsContact CA-OE1 3.28Å; G81-Q229 PolarHBondContact O-NE2 3.45Å; S227-Q229 PolarHBondContact O-N 2.9Å; S227-Q229 PolarHBondContact OG-N 2.86Å; Q229-T233 WeakPolarHBondContact O-CB 3.32Å; Q229-T233 PolarHBondContact O-N 3.48Å; Q229-T233 PolarHBondContact O-OG1 2.81Å
230	T	60.7	Low	54.9	Low	67 Å²	67	106.7 Å²	106.7	41%	0.411	56%	0.558	S	S	.	*	H	α-helix	trans	-64.4	-43.4	171.1	-48.6	0	0	0	0	110.7	F226 S227 T234	F226-T230 HydrophobicContact CD1-CG2 4Å; F226-T230 HydrophobicContact CE1-CG2 3.83Å; S227-T230 CarbonylContact O-C 3.54Å; S227-T230 WeakPolarHBondContact O-CA 3.17Å; S227-T230 WeakPolarHBondContact O-CB 3.36Å; S227-T230 PolarHBondContact O-N 3.38Å; S227-T230 WeakPolarHBondContact OG-CB 3.39Å; S227-T230 PolarHBondContact OG-N 2.95Å; S227-T230 PolarHBondContact OG-OG1 2.86Å; T230-T234 WeakPolarHBondContact O-CB 3.19Å; T230-T234 PolarHBondContact O-N 2.75Å; T230-T234 PolarHBondContact O-OG1 3.21Å
231	A	59.2	Low	56.6	Low	27 Å²	27	104.8 Å²	104.8	22%	0.223	55%	0.549	C	S	.	.	H	α-helix	trans	-61.3	-52.6	175.2	0	0	0	0	0	111	F226 S227 T233 T234 M235	F226-A231 HydrophobicContact CD1-CB 3.91Å; F226-A231 HydrophobicContact CE1-CB 4.36Å; S227-A231 WeakPolarHBondContact O-CB 3.38Å; S227-A231 PolarHBondContact O-N 3.39Å; A231-T233 PolarHBondContact O-N 3.29Å; A231-T234 PolarHBondContact O-N 3.11Å; A231-M235 WeakPolarHBondContact O-CB 3.43Å; A231-M235 WeakPolarHBondContact O-CG 3.46Å; A231-M235 PolarHBondContact O-N 3.12Å
232	T	67.3	Low	58.2	Low	66 Å²	66	107 Å²	107	41%	0.405	54%	0.542	S	S	.	.	H	α-helix	trans	-61.9	-45.2	178.7	-59.6	0	0	0	0	111.7	F228 T234 M235 Q236	F228-T232 WeakPolarHBondContact O-CB 3.3Å; F228-T232 PolarHBondContact O-N 3.03Å; F228-T232 PolarHBondContact O-OG1 3.39Å; T232-T234 VanDerWaalsContact C-N 3.33Å; T232-T234 PolarHBondContact O-N 3.1Å; T232-M235 PolarHBondContact O-N 3.43Å; T232-Q236 HydrophobicContact CG2-CG 4.43Å; T232-Q236 WeakPolarHBondContact O-CB 3.25Å; T232-Q236 VanDerWaalsContact O-CG 3.29Å; T232-Q236 WeakPolarHBondContact O-CG 3.5Å; T232-Q236 PolarHBondContact O-N 3.49Å
233	T	68.7	Low	60	Low	89 Å²	89	98.5 Å²	98.5	55%	0.546	51%	0.512	S	S	.	.	H	α-helix	trans	-64.6	-37.9	177.5	-58.4	0	0	0	0	111.4	Q229 A231 Q236 A237	Q229-T233 WeakPolarHBondContact O-CB 3.32Å; Q229-T233 PolarHBondContact O-N 3.48Å; Q229-T233 PolarHBondContact O-OG1 2.81Å; A231-T233 PolarHBondContact O-N 3.29Å; T233-Q236 PolarHBondContact O-N 3.32Å; T233-A237 VanDerWaalsContact O-CB 3.26Å; T233-A237 WeakPolarHBondContact O-CB 3.25Å; T233-A237 PolarHBondContact O-N 3.1Å
234	T	64.4	Low	61.7	Low	51 Å²	51	95.7 Å²	95.7	31%	0.313	50%	0.495	S	S	.	.	H	α-helix	trans	-70.5	-39.6	176.7	-58.6	0	0	0	0	111.3	F226 T230 A231 T232 A237 I238	F226-T234 HydrophobicContact CE1-CG2 4.47Å; F226-T234 HydrophobicContact CZ-CG2 4.22Å; T230-T234 WeakPolarHBondContact O-CB 3.19Å; T230-T234 PolarHBondContact O-N 2.75Å; T230-T234 PolarHBondContact O-OG1 3.21Å; A231-T234 PolarHBondContact O-N 3.11Å; T232-T234 VanDerWaalsContact C-N 3.33Å; T232-T234 PolarHBondContact O-N 3.1Å; T234-A237 PolarHBondContact O-N 3.07Å; T234-I238 HydrophobicContact CG2-CD1 3.75Å; T234-I238 HydrophobicContact CG2-CG1 4.33Å; T234-I238 VanDerWaalsContact O-CB 3.28Å; T234-I238 WeakPolarHBondContact O-CB 3.39Å; T234-I238 WeakPolarHBondContact O-CG1 3.41Å; T234-I238 PolarHBondContact O-N 2.86Å
235	M	64.2	Low	63.2	Low	136 Å²	136	91.4 Å²	91.4	67%	0.67	48%	0.48	S	S	*	.	H	α-helix	trans	-67.1	-37.7	172.8	-72.8	178	66.2	0	0	112.5	A231 T232 S239	A231-M235 WeakPolarHBondContact O-CB 3.43Å; A231-M235 WeakPolarHBondContact O-CG 3.46Å; A231-M235 PolarHBondContact O-N 3.12Å; T232-M235 PolarHBondContact O-N 3.43Å; M235-S239 VanDerWaalsContact O-CB 3.22Å; M235-S239 WeakPolarHBondContact O-CB 3.43Å; M235-S239 PolarHBondContact O-N 3.16Å; M235-S239 PolarHBondContact O-OG 2.8Å
236	Q	71.7	Confident	64.7	Low	117 Å²	117	90.1 Å²	90.1	55%	0.547	47%	0.471	S	S	.	.	H	α-helix	trans	-65.2	-46.9	171.7	-74.5	-178.3	15	0	0	110.8	T232 T233 S239 V240	T232-Q236 HydrophobicContact CG2-CG 4.43Å; T232-Q236 WeakPolarHBondContact O-CB 3.25Å; T232-Q236 VanDerWaalsContact O-CG 3.29Å; T232-Q236 WeakPolarHBondContact O-CG 3.5Å; T232-Q236 PolarHBondContact O-N 3.49Å; T233-Q236 PolarHBondContact O-N 3.32Å; Q236-S239 WeakPolarHBondContact CA-OG 3.48Å; Q236-S239 PolarHBondContact O-N 3.02Å; Q236-S239 PolarHBondContact O-OG 3.22Å; Q236-V240 WeakPolarHBondContact O-CB 3.33Å; Q236-V240 VanDerWaalsContact O-CG2 3.24Å; Q236-V240 WeakPolarHBondContact O-CG2 3.35Å; Q236-V240 PolarHBondContact O-N 3.37Å
237	A	64.5	Low	66.1	Low	41 Å²	41	91 Å²	91	34%	0.339	47%	0.47	S	S	.	.	H	α-helix	trans	-59.9	-51.1	175.2	0	0	0	0	0	111.6	T233 T234 S239 V240 F241	T233-A237 VanDerWaalsContact O-CB 3.26Å; T233-A237 WeakPolarHBondContact O-CB 3.25Å; T233-A237 PolarHBondContact O-N 3.1Å; T234-A237 PolarHBondContact O-N 3.07Å; A237-S239 VanDerWaalsContact C-N 3.34Å; A237-S239 PolarHBondContact O-N 3.49Å; A237-V240 PolarHBondContact O-N 2.96Å; A237-F241 HydrophobicContact CB-CD2 4.37Å; A237-F241 HydrophobicContact CB-CE2 4.46Å; A237-F241 WeakPolarHBondContact O-CB 3.18Å; A237-F241 WeakPolarHBondContact O-CD2 3.48Å; A237-F241 PolarHBondContact O-N 3Å
238	I	68	Low	67.3	Low	101 Å²	101	94.7 Å²	94.7	52%	0.518	48%	0.48	S	S	.	.	H	α-helix	trans	-59.5	-42.5	177.5	-71.7	169.7	0	0	0	111	T234 R242	T234-I238 HydrophobicContact CG2-CD1 3.75Å; T234-I238 HydrophobicContact CG2-CG1 4.33Å; T234-I238 VanDerWaalsContact O-CB 3.28Å; T234-I238 WeakPolarHBondContact O-CB 3.39Å; T234-I238 WeakPolarHBondContact O-CG1 3.41Å; T234-I238 PolarHBondContact O-N 2.86Å; I238-R242 WeakPolarHBondContact O-CB 3.42Å; I238-R242 PolarHBondContact O-N 3.37Å
239	S	64.6	Low	68.5	Low	50 Å²	50	90 Å²	90	35%	0.35	46%	0.457	S	S	.	.	H	α-helix	trans	-71.4	-34.8	178.8	60.4	0	0	0	0	113	M235 Q236 A237 G243	M235-S239 VanDerWaalsContact O-CB 3.22Å; M235-S239 WeakPolarHBondContact O-CB 3.43Å; M235-S239 PolarHBondContact O-N 3.16Å; M235-S239 PolarHBondContact O-OG 2.8Å; Q236-S239 WeakPolarHBondContact CA-OG 3.48Å; Q236-S239 PolarHBondContact O-N 3.02Å; Q236-S239 PolarHBondContact O-OG 3.22Å; A237-S239 VanDerWaalsContact C-N 3.34Å; A237-S239 PolarHBondContact O-N 3.49Å; S239-G243 PolarHBondContact O-N 3.07Å
240	V	68.5	Low	69.3	Low	93 Å²	93	94.4 Å²	94.4	56%	0.564	47%	0.47	S	S	*	.	H	α-helix	trans	-69.3	-43.5	172.4	169.5	0	0	0	0	111.5	Q236 A237 G243 Y244	Q236-V240 WeakPolarHBondContact O-CB 3.33Å; Q236-V240 VanDerWaalsContact O-CG2 3.24Å; Q236-V240 WeakPolarHBondContact O-CG2 3.35Å; Q236-V240 PolarHBondContact O-N 3.37Å; A237-V240 PolarHBondContact O-N 2.96Å; V240-G243 CarbonylContact O-C 3.51Å; V240-G243 PolarHBondContact O-N 3.1Å; V240-Y244 WeakPolarHBondContact O-CB 3.15Å; V240-Y244 PolarHBondContact O-N 3.37Å
241	F	67.9	Low	70.3	Confident	151 Å²	151	97.7 Å²	97.7	66%	0.662	48%	0.479	S	S	*	.	H	α-helix	trans	-66.5	-42.6	175	-80.7	-61.3	0	0	0	111.9	A237 G243 Y244 A245	A237-F241 HydrophobicContact CB-CD2 4.37Å; A237-F241 HydrophobicContact CB-CE2 4.46Å; A237-F241 WeakPolarHBondContact O-CB 3.18Å; A237-F241 WeakPolarHBondContact O-CD2 3.48Å; A237-F241 PolarHBondContact O-N 3Å; F241-G243 VanDerWaalsContact C-N 3.35Å; F241-Y244 PolarHBondContact O-N 3.48Å; F241-A245 WeakPolarHBondContact O-CB 3.34Å; F241-A245 PolarHBondContact O-N 3.32Å
242	R	72.6	Confident	71.3	Confident	167 Å²	167	101.5 Å²	101.5	63%	0.63	49%	0.487	S	S	*	.	H	α-helix	trans	-57.7	-47.8	170	-177.6	173.2	67.8	-172.8	1.5	110.4	I238 Y244 A245 E246	I238-R242 WeakPolarHBondContact O-CB 3.42Å; I238-R242 PolarHBondContact O-N 3.37Å; R242-Y244 VanDerWaalsContact C-N 3.31Å; R242-Y244 PolarHBondContact O-N 3.14Å; R242-A245 PolarHBondContact O-N 2.98Å; R242-E246 WeakPolarHBondContact O-CB 3.4Å; R242-E246 PolarHBondContact O-N 3.38Å
243	G	73.2	Confident	71.9	Confident	25 Å²	25	100.3 Å²	100.3	26%	0.258	48%	0.477	S	S	.	.	H	α-helix	trans	-65.3	-28	176	0	0	0	0	0	114.2	S239 V240 F241 R247	S239-G243 PolarHBondContact O-N 3.07Å; V240-G243 CarbonylContact O-C 3.51Å; V240-G243 PolarHBondContact O-N 3.1Å; F241-G243 VanDerWaalsContact C-N 3.35Å; G243-R247 WeakPolarHBondContact O-CB 3.44Å; G243-R247 VanDerWaalsContact O-CG 3.23Å; G243-R247 WeakPolarHBondContact O-CG 3.42Å; G243-R247 PolarHBondContact O-N 3.03Å; G243-R247 VanDerWaalsContact O-N 3.15Å; G243-R247 PolarHBondContact O-NE 2.9Å
244	Y	73.6	Confident	72.5	Confident	121 Å²	121	101.3 Å²	101.3	48%	0.475	48%	0.479	S	S	.	.	H	α-helix	trans	-75.4	-44.7	171.6	178.8	-92.4	0	0	0	111.2	V240 F241 R242 R247 K248	V240-Y244 WeakPolarHBondContact O-CB 3.15Å; V240-Y244 PolarHBondContact O-N 3.37Å; F241-Y244 PolarHBondContact O-N 3.48Å; R242-Y244 VanDerWaalsContact C-N 3.31Å; R242-Y244 PolarHBondContact O-N 3.14Å; Y244-R247 PolarHBondContact O-N 3.08Å; Y244-K248 HydrophobicContact CE1-CD 3.79Å; Y244-K248 WeakPolarHBondContact O-CB 3.31Å; Y244-K248 PolarHBondContact O-N 2.94Å; Y244-K248 WeakPolarHBondContact OH-CE 3.24Å; Y244-K248 PolarHBondContact OH-NZ 3.21Å
245	A	72.2	Confident	73.4	Confident	58 Å²	58	102.6 Å²	102.6	48%	0.479	48%	0.484	S	S	.	.	H	α-helix	trans	-62	-44.5	175.7	0	0	0	0	0	111.7	F241 R242 R247 K248 R249	F241-A245 WeakPolarHBondContact O-CB 3.34Å; F241-A245 PolarHBondContact O-N 3.32Å; R242-A245 PolarHBondContact O-N 2.98Å; A245-R247 PolarHBondContact O-N 3.44Å; A245-K248 CarbonylContact O-C 3.58Å; A245-K248 PolarHBondContact O-N 3.39Å; A245-R249 WeakPolarHBondContact O-CB 3.49Å; A245-R249 PolarHBondContact O-N 2.87Å
246	E	74.5	Confident	74.1	Confident	69 Å²	69	97.1 Å²	97.1	32%	0.322	46%	0.459	S	S	.	.	H	α-helix	trans	-64.2	-38.4	175.4	-153.8	71.7	-120.8	0	0	111.2	R242 R249 R250	R242-E246 WeakPolarHBondContact O-CB 3.4Å; R242-E246 PolarHBondContact O-N 3.38Å; E246-R249 PolarHBondContact O-N 2.99Å; E246-R249 VanDerWaalsContact OE1-CD 3.27Å; E246-R249 WeakPolarHBondContact OE1-CD 3.46Å; E246-R249 IonicContact OE1-CZ 3.05Å; E246-R249 IonicContact OE1-NE 3.72Å; E246-R249 IonicContact OE1-NH1 3.95Å; E246-R249 PolarHBondContact OE1-NH1 3.37Å; E246-R250 WeakPolarHBondContact O-CB 3.44Å; E246-R250 WeakPolarHBondContact O-CG 3.33Å; E246-R250 PolarHBondContact O-N 3.4Å
247	R	72.5	Confident	74.5	Confident	164 Å²	164	93 Å²	93	62%	0.619	45%	0.445	S	S	*	.	H	α-helix	trans	-65.4	-41.9	171.4	-80.5	178.7	-72	177.8	-2.1	112.3	G243 Y244 A245 R249 R250 K251	G243-R247 WeakPolarHBondContact O-CB 3.44Å; G243-R247 VanDerWaalsContact O-CG 3.23Å; G243-R247 WeakPolarHBondContact O-CG 3.42Å; G243-R247 PolarHBondContact O-N 3.03Å; G243-R247 VanDerWaalsContact O-N 3.15Å; G243-R247 PolarHBondContact O-NE 2.9Å; Y244-R247 PolarHBondContact O-N 3.08Å; A245-R247 PolarHBondContact O-N 3.44Å; R247-R249 VanDerWaalsContact C-N 3.29Å; R247-R249 PolarHBondContact O-N 3.21Å; R247-R250 PolarHBondContact O-N 3.13Å; R247-K251 WeakPolarHBondContact O-CB 3.39Å; R247-K251 PolarHBondContact O-N 3.13Å
248	K	76.6	Confident	75.5	Confident	123 Å²	123	93.4 Å²	93.4	54%	0.535	45%	0.445	S	S	.	.	H	α-helix	trans	-68.7	-27	176	-125.8	-178.1	-175.6	172.8	0	112.7	Y244 A245 R252	Y244-K248 HydrophobicContact CE1-CD 3.79Å; Y244-K248 WeakPolarHBondContact O-CB 3.31Å; Y244-K248 PolarHBondContact O-N 2.94Å; Y244-K248 WeakPolarHBondContact OH-CE 3.24Å; Y244-K248 PolarHBondContact OH-NZ 3.21Å; A245-K248 CarbonylContact O-C 3.58Å; A245-K248 PolarHBondContact O-N 3.39Å; K248-R252 WeakPolarHBondContact O-CG 3.26Å; K248-R252 PolarHBondContact O-N 2.98Å; K248-R252 PolarHBondContact O-NE 2.8Å
249	R	75.3	Confident	76.3	Confident	89 Å²	89	92.2 Å²	92.2	34%	0.336	44%	0.443	S	S	.	.	H	α-helix	trans	-73.4	-56.5	170.3	-180	-165.2	171.1	177.2	6.4	111	A245 E246 R247 K251 R252 E253	A245-R249 WeakPolarHBondContact O-CB 3.49Å; A245-R249 PolarHBondContact O-N 2.87Å; E246-R249 PolarHBondContact O-N 2.99Å; E246-R249 VanDerWaalsContact OE1-CD 3.27Å; E246-R249 WeakPolarHBondContact OE1-CD 3.46Å; E246-R249 IonicContact OE1-CZ 3.05Å; E246-R249 IonicContact OE1-NE 3.72Å; E246-R249 IonicContact OE1-NH1 3.95Å; E246-R249 PolarHBondContact OE1-NH1 3.37Å; R247-R249 VanDerWaalsContact C-N 3.29Å; R247-R249 PolarHBondContact O-N 3.21Å; R249-K251 PolarHBondContact O-N 2.89Å; R249-R252 PolarHBondContact O-N 3.19Å; R249-E253 HydrophobicContact CG-CG 4.45Å; R249-E253 IonicContact CZ-OE1 2.72Å; R249-E253 IonicContact NE-OE1 2.93Å; R249-E253 PolarHBondContact NE-OE1 2.75Å; R249-E253 VanDerWaalsContact NE-OE1 3.09Å; R249-E253 IonicContact NE-OE2 3.7Å; R249-E253 PolarHBondContact NE-OE2 2.54Å; R249-E253 IonicContact NH2-OE1 3.8Å; R249-E253 PolarHBondContact O-N 3.05Å
250	R	75.2	Confident	77.2	Confident	177 Å²	177	92.1 Å²	92.1	67%	0.668	44%	0.438	S	S	*	.	H	α-helix	trans	-57.3	-35.1	178	-75	-176	-179	-177.6	0.5	112.4	E246 R247 E253 N254	E246-R250 WeakPolarHBondContact O-CB 3.44Å; E246-R250 WeakPolarHBondContact O-CG 3.33Å; E246-R250 PolarHBondContact O-N 3.4Å; R247-R250 PolarHBondContact O-N 3.13Å; R250-E253 PolarHBondContact O-N 2.81Å; R250-N254 VanDerWaalsContact O-CB 3.26Å; R250-N254 WeakPolarHBondContact O-CB 3.2Å; R250-N254 PolarHBondContact O-N 3.19Å
251	K	81.9	Confident	77.9	Confident	136 Å²	136	92.3 Å²	92.3	59%	0.591	43%	0.433	S	S	*	.	H	α-helix	trans	-60.6	-51.7	171.2	-179.7	168.2	-179.5	179.4	0	111.4	R247 R249 E253 N254 D255	R247-K251 WeakPolarHBondContact O-CB 3.39Å; R247-K251 PolarHBondContact O-N 3.13Å; R249-K251 PolarHBondContact O-N 2.89Å; K251-E253 VanDerWaalsContact C-N 3.31Å; K251-E253 PolarHBondContact O-N 2.68Å; K251-N254 PolarHBondContact O-N 2.81Å; K251-N254 VanDerWaalsContact O-N 3.13Å; K251-D255 WeakPolarHBondContact CE-OD2 3.32Å; K251-D255 VanDerWaalsContact CG-OD2 3.31Å; K251-D255 WeakPolarHBondContact CG-OD2 3.43Å; K251-D255 WeakPolarHBondContact O-CB 3.48Å; K251-D255 PolarHBondContact O-N 3.46Å
252	R	80.7	Confident	78.7	Confident	108 Å²	108	93.1 Å²	93.1	41%	0.408	43%	0.431	S	S	.	.	H	α-helix	trans	-62.2	-35	177.2	-71.8	-176	-65.9	147.5	2.8	113.4	S17 K248 R249 S256	S17-R252 PolarHBondContact OG-NH1 2.8Å; K248-R252 WeakPolarHBondContact O-CG 3.26Å; K248-R252 PolarHBondContact O-N 2.98Å; K248-R252 PolarHBondContact O-NE 2.8Å; R249-R252 PolarHBondContact O-N 3.19Å; R252-S256 WeakPolarHBondContact O-CB 3.5Å; R252-S256 PolarHBondContact O-N 3.02Å; R252-S256 PolarHBondContact O-OG 3.24Å
253	E	79	Confident	79.2	Confident	40 Å²	40	89.7 Å²	89.7	19%	0.187	43%	0.425	C	S	.	.	H	α-helix	trans	-74.1	-26.5	176.2	-70	171.6	160.5	0	0	112.1	A21 R24 R249 R250 K251 S256 A257	A21-E253 HydrophobicContact CB-CG 4Å; R24-E253 IonicContact CZ-OE1 3.85Å; R24-E253 VanDerWaalsContact CZ-OE1 3.26Å; R24-E253 IonicContact NE-OE1 3.33Å; R24-E253 PolarHBondContact NE-OE1 3.18Å; R24-E253 IonicContact NH2-OE1 3.77Å; R24-E253 PolarHBondContact NH2-OE1 3.09Å; R249-E253 HydrophobicContact CG-CG 4.45Å; R249-E253 IonicContact CZ-OE1 2.72Å; R249-E253 IonicContact NE-OE1 2.93Å; R249-E253 PolarHBondContact NE-OE1 2.75Å; R249-E253 VanDerWaalsContact NE-OE1 3.09Å; R249-E253 IonicContact NE-OE2 3.7Å; R249-E253 PolarHBondContact NE-OE2 2.54Å; R249-E253 IonicContact NH2-OE1 3.8Å; R249-E253 PolarHBondContact O-N 3.05Å; R250-E253 PolarHBondContact O-N 2.81Å; K251-E253 VanDerWaalsContact C-N 3.31Å; K251-E253 PolarHBondContact O-N 2.68Å; E253-S256 PolarHBondContact O-OG 2.96Å; E253-S256 VanDerWaalsContact O-OG 3.11Å; E253-A257 WeakPolarHBondContact O-CB 3.34Å; E253-A257 PolarHBondContact O-N 2.89Å
254	N	80.7	Confident	79.6	Confident	110 Å²	110	92.2 Å²	92.2	59%	0.588	43%	0.43	S	S	*	.	H	α-helix	trans	-79.9	-44.8	171	-168.9	-59.8	0	0	0	111.9	R250 K251 S256 A257 S258	R250-N254 VanDerWaalsContact O-CB 3.26Å; R250-N254 WeakPolarHBondContact O-CB 3.2Å; R250-N254 PolarHBondContact O-N 3.19Å; K251-N254 PolarHBondContact O-N 2.81Å; K251-N254 VanDerWaalsContact O-N 3.13Å; N254-S256 VanDerWaalsContact C-N 3.28Å; N254-S256 PolarHBondContact O-N 3.02Å; N254-A257 PolarHBondContact O-N 3.49Å; N254-A257 VanDerWaalsContact O-N 3.16Å; N254-S258 WeakPolarHBondContact O-CB 3.5Å; N254-S258 PolarHBondContact O-N 3.34Å
255	D	83.5	Confident	80	Confident	78 Å²	78	94.6 Å²	94.6	42%	0.417	44%	0.438	S	S	.	.	H	α-helix	trans	-58.1	-41	175.4	-67.5	-27.5	0	0	0	110.5	K251 S258 V259	K251-D255 WeakPolarHBondContact CE-OD2 3.32Å; K251-D255 VanDerWaalsContact CG-OD2 3.31Å; K251-D255 WeakPolarHBondContact CG-OD2 3.43Å; K251-D255 WeakPolarHBondContact O-CB 3.48Å; K251-D255 PolarHBondContact O-N 3.46Å; D255-S258 PolarHBondContact O-N 2.81Å; D255-V259 WeakPolarHBondContact O-CG2 3.49Å; D255-V259 PolarHBondContact O-N 3.04Å; D255-V259 VanDerWaalsContact O-N 3.07Å
256	S	79.2	Confident	80.5	Confident	21 Å²	21	97.8 Å²	97.8	15%	0.147	44%	0.441	C	S	.	.	H	α-helix	trans	-68.4	-41.7	174.7	70.6	0	0	0	0	112.7	R252 E253 N254 S258 V259 I260	R252-S256 WeakPolarHBondContact O-CB 3.5Å; R252-S256 PolarHBondContact O-N 3.02Å; R252-S256 PolarHBondContact O-OG 3.24Å; E253-S256 PolarHBondContact O-OG 2.96Å; E253-S256 VanDerWaalsContact O-OG 3.11Å; N254-S256 VanDerWaalsContact C-N 3.28Å; N254-S256 PolarHBondContact O-N 3.02Å; S256-S258 VanDerWaalsContact C-N 3.33Å; S256-S258 PolarHBondContact O-N 3.22Å; S256-V259 PolarHBondContact O-N 3.34Å; S256-I260 WeakPolarHBondContact O-CG1 3.28Å; S256-I260 PolarHBondContact O-N 3.18Å
257	A	81.4	Confident	80.8	Confident	30 Å²	30	99.4 Å²	99.4	25%	0.248	45%	0.448	C	S	.	.	H	α-helix	trans	-61.4	-39.8	173.7	0	0	0	0	0	112.1	A25 E253 N254 I260 Q261	A25-A257 HydrophobicContact CB-CB 4.48Å; E253-A257 WeakPolarHBondContact O-CB 3.34Å; E253-A257 PolarHBondContact O-N 2.89Å; N254-A257 PolarHBondContact O-N 3.49Å; N254-A257 VanDerWaalsContact O-N 3.16Å; A257-I260 PolarHBondContact O-N 2.78Å; A257-Q261 WeakPolarHBondContact O-CB 3.46Å; A257-Q261 WeakPolarHBondContact O-CG 3.42Å; A257-Q261 PolarHBondContact O-N 2.64Å
258	S	84.1	Confident	81	Confident	50 Å²	50	96.1 Å²	96.1	35%	0.35	44%	0.442	S	S	.	.	H	α-helix	trans	-63	-39.6	175.1	-179.1	0	0	0	0	112.3	N254 D255 S256 R262	N254-S258 WeakPolarHBondContact O-CB 3.5Å; N254-S258 PolarHBondContact O-N 3.34Å; D255-S258 PolarHBondContact O-N 2.81Å; S256-S258 VanDerWaalsContact C-N 3.33Å; S256-S258 PolarHBondContact O-N 3.22Å; S258-R262 VanDerWaalsContact O-CB 3.28Å; S258-R262 WeakPolarHBondContact O-CB 3.28Å; S258-R262 PolarHBondContact O-N 2.66Å
259	V	86.1	Confident	81.2	Confident	77 Å²	77	98.6 Å²	98.6	47%	0.467	45%	0.448	S	S	.	.	H	α-helix	trans	-67	-42.5	172.5	171.5	0	0	0	0	111.6	D255 S256 R262 N263	D255-V259 WeakPolarHBondContact O-CG2 3.49Å; D255-V259 PolarHBondContact O-N 3.04Å; D255-V259 VanDerWaalsContact O-N 3.07Å; S256-V259 PolarHBondContact O-N 3.34Å; V259-R262 PolarHBondContact O-N 3.22Å; V259-N263 WeakPolarHBondContact O-CB 3.36Å; V259-N263 PolarHBondContact O-N 2.95Å
260	I	82	Confident	81.1	Confident	47 Å²	47	99.4 Å²	99.4	24%	0.241	46%	0.457	C	S	.	.	H	α-helix	trans	-61.8	-48.5	176.1	-69.1	164.6	0	0	0	110.4	A25 S256 A257 R262 N263 F264	A25-I260 HydrophobicContact CB-CD1 3.79Å; S256-I260 WeakPolarHBondContact O-CG1 3.28Å; S256-I260 PolarHBondContact O-N 3.18Å; A257-I260 PolarHBondContact O-N 2.78Å; I260-R262 PolarHBondContact O-N 2.66Å; I260-N263 PolarHBondContact O-N 3.39Å; I260-F264 WeakPolarHBondContact O-CB 3.46Å; I260-F264 PolarHBondContact O-N 2.96Å
261	Q	82.8	Confident	81	Confident	98 Å²	98	94.4 Å²	94.4	46%	0.458	45%	0.446	S	S	.	.	H	α-helix	trans	-61.7	-40.5	176.1	-73.3	178.8	0.5	0	0	112.4	F29 A257 F264 R265	F29-Q261 HydrophobicContact CE2-CG 4.37Å; A257-Q261 WeakPolarHBondContact O-CB 3.46Å; A257-Q261 WeakPolarHBondContact O-CG 3.42Å; A257-Q261 PolarHBondContact O-N 2.64Å; Q261-F264 PolarHBondContact O-N 3.01Å; Q261-R265 VanDerWaalsContact O-CB 3.3Å; Q261-R265 WeakPolarHBondContact O-CB 3.42Å; Q261-R265 VanDerWaalsContact O-CG 3.27Å; Q261-R265 WeakPolarHBondContact O-CG 3.3Å; Q261-R265 PolarHBondContact O-N 2.98Å
262	R	86.1	Confident	79.8	Confident	167 Å²	167	89.6 Å²	89.6	63%	0.63	44%	0.435	S	S	*	.	H	α-helix	trans	-62.7	-43.7	174.5	178.8	-177.1	-93.9	104.9	-11.5	111.2	S258 V259 I260 R265 K266	S258-R262 VanDerWaalsContact O-CB 3.28Å; S258-R262 WeakPolarHBondContact O-CB 3.28Å; S258-R262 PolarHBondContact O-N 2.66Å; V259-R262 PolarHBondContact O-N 3.22Å; I260-R262 PolarHBondContact O-N 2.66Å; R262-R265 PolarHBondContact O-N 3.23Å; R262-K266 WeakPolarHBondContact O-CB 3.36Å; R262-K266 PolarHBondContact O-N 2.96Å
263	N	82.5	Confident	78.4	Confident	95 Å²	95	89.5 Å²	89.5	51%	0.508	45%	0.451	S	S	.	.	H	α-helix	trans	-67.2	-41.8	177.7	-77	-14.5	0	0	0	111.9	V259 I260 K266 H267	V259-N263 WeakPolarHBondContact O-CB 3.36Å; V259-N263 PolarHBondContact O-N 2.95Å; I260-N263 PolarHBondContact O-N 3.39Å; N263-K266 WeakPolarHBondContact O-CB 3.32Å; N263-K266 PolarHBondContact O-N 2.98Å; N263-K266 VanDerWaalsContact O-N 3.16Å; N263-H267 WeakPolarHBondContact O-CB 3.41Å; N263-H267 PolarHBondContact O-N 3.28Å
264	F	80.9	Confident	76.9	Confident	79 Å²	79	97.7 Å²	97.7	35%	0.346	48%	0.48	S	S	.	.	H	α-helix	trans	-63.2	-44.5	174.2	-171.8	-112.7	0	0	0	111.6	F29 I260 Q261 K266 H267 L268	F29-F264 HydrophobicContact CE1-CD1 4.37Å; F29-F264 HydrophobicContact CE1-CG 4.34Å; F29-F264 AromaticContact CZ-CD1 3.74Å; F29-F264 HydrophobicContact CZ-CD1 3.74Å; F29-F264 AromaticContact CZ-CE1 3.98Å; F29-F264 HydrophobicContact CZ-CE1 3.98Å; F29-F264 HydrophobicContact CZ-CG 4.09Å; I260-F264 WeakPolarHBondContact O-CB 3.46Å; I260-F264 PolarHBondContact O-N 2.96Å; Q261-F264 PolarHBondContact O-N 3.01Å; F264-K266 PolarHBondContact O-N 2.79Å; F264-H267 PolarHBondContact O-N 2.97Å; F264-L268 HydrophobicContact CD1-CD1 3.83Å; F264-L268 HydrophobicContact CD1-CG 4.32Å; F264-L268 HydrophobicContact CE1-CD1 3.45Å; F264-L268 VanDerWaalsContact CE1-CD1 3.45Å; F264-L268 HydrophobicContact CE1-CG 4.07Å; F264-L268 HydrophobicContact CE2-CG 4.41Å; F264-L268 HydrophobicContact CZ-CD1 3.9Å; F264-L268 HydrophobicContact CZ-CD2 4.27Å; F264-L268 HydrophobicContact CZ-CG 4.11Å; F264-L268 WeakPolarHBondContact O-CB 3.38Å; F264-L268 WeakPolarHBondContact O-CG 3.38Å; F264-L268 PolarHBondContact O-N 2.92Å
265	R	82.2	Confident	75.3	Confident	171 Å²	171	102.9 Å²	102.9	65%	0.645	49%	0.491	S	S	*	.	H	α-helix	trans	-67.8	-17.5	173.3	-70.6	176.6	71.9	-167.4	3.7	114.3	Q261 R262 R269	Q261-R265 VanDerWaalsContact O-CB 3.3Å; Q261-R265 WeakPolarHBondContact O-CB 3.42Å; Q261-R265 VanDerWaalsContact O-CG 3.27Å; Q261-R265 WeakPolarHBondContact O-CG 3.3Å; Q261-R265 PolarHBondContact O-N 2.98Å; R262-R265 PolarHBondContact O-N 3.23Å; R265-R269 PolarHBondContact O-NE 3.31Å; R265-R269 PolarHBondContact O-NH2 3.21Å
266	K	84	Confident	73.4	Confident	125 Å²	125	104.4 Å²	104.4	54%	0.543	50%	0.503	S	S	.	.	H	α-helix	trans	-82.3	-47	168.7	-172.5	-177.2	177.6	-177.4	0	110.1	R262 N263 F264 R269 M270	R262-K266 WeakPolarHBondContact O-CB 3.36Å; R262-K266 PolarHBondContact O-N 2.96Å; N263-K266 WeakPolarHBondContact O-CB 3.32Å; N263-K266 PolarHBondContact O-N 2.98Å; N263-K266 VanDerWaalsContact O-N 3.16Å; F264-K266 PolarHBondContact O-N 2.79Å; K266-R269 WeakPolarHBondContact O-CB 3.28Å; K266-R269 PolarHBondContact O-N 2.96Å; K266-M270 HydrophobicContact CG-CE 4.12Å; K266-M270 HydrophobicContact CG-SD 4.17Å; K266-M270 WeakPolarHBondContact O-CG 3.34Å; K266-M270 PolarHBondContact O-N 2.87Å
267	H	80.1	Confident	71.4	Confident	102 Å²	102	111.6 Å²	111.6	47%	0.472	53%	0.532	S	S	.	.	H	α-helix	trans	-58.6	-49.2	176.3	-175.7	83.6	0	0	0	111.6	N263 F264 R269 M270 V271	N263-H267 WeakPolarHBondContact O-CB 3.41Å; N263-H267 PolarHBondContact O-N 3.28Å; F264-H267 PolarHBondContact O-N 2.97Å; H267-R269 PolarHBondContact O-N 3.13Å; H267-R269 VanDerWaalsContact O-N 3.13Å; H267-M270 PolarHBondContact O-N 3.44Å; H267-M270 VanDerWaalsContact O-N 3.1Å; H267-V271 WeakPolarHBondContact O-CB 3.4Å; H267-V271 WeakPolarHBondContact O-CG2 3.43Å; H267-V271 PolarHBondContact O-N 3.02Å
268	L	77.1	Confident	69.7	Low	95 Å²	95	114.1 Å²	114.1	50%	0.497	55%	0.552	S	S	.	*	H	α-helix	trans	-59.4	-22.6	173.2	-74.8	-178.6	0	0	0	113.9	F264 G272	F264-L268 HydrophobicContact CD1-CD1 3.83Å; F264-L268 HydrophobicContact CD1-CG 4.32Å; F264-L268 HydrophobicContact CE1-CD1 3.45Å; F264-L268 VanDerWaalsContact CE1-CD1 3.45Å; F264-L268 HydrophobicContact CE1-CG 4.07Å; F264-L268 HydrophobicContact CE2-CG 4.41Å; F264-L268 HydrophobicContact CZ-CD1 3.9Å; F264-L268 HydrophobicContact CZ-CD2 4.27Å; F264-L268 HydrophobicContact CZ-CG 4.11Å; F264-L268 WeakPolarHBondContact O-CB 3.38Å; F264-L268 WeakPolarHBondContact O-CG 3.38Å; F264-L268 PolarHBondContact O-N 2.92Å; L268-G272 WeakPolarHBondContact O-CA 3.09Å; L268-G272 PolarHBondContact O-N 2.83Å
269	R	80.4	Confident	67.7	Low	175 Å²	175	119.1 Å²	119.1	66%	0.66	57%	0.57	S	S	*	*	H	α-helix	trans	-81.5	-42.8	173.2	-130.5	173.8	-58.9	160.6	5.2	111.7	R265 K266 H267 S273	R265-R269 PolarHBondContact O-NE 3.31Å; R265-R269 PolarHBondContact O-NH2 3.21Å; K266-R269 WeakPolarHBondContact O-CB 3.28Å; K266-R269 PolarHBondContact O-N 2.96Å; H267-R269 PolarHBondContact O-N 3.13Å; H267-R269 VanDerWaalsContact O-N 3.13Å; R269-S273 PolarHBondContact O-N 3.11Å
270	M	74.2	Confident	65.7	Low	106 Å²	106	117.3 Å²	117.3	52%	0.522	56%	0.56	S	S	.	*	H	α-helix	trans	-69.1	-38.1	178.3	-62.5	-178.2	-52	0	0	112.2	K266 H267	K266-M270 HydrophobicContact CG-CE 4.12Å; K266-M270 HydrophobicContact CG-SD 4.17Å; K266-M270 WeakPolarHBondContact O-CG 3.34Å; K266-M270 PolarHBondContact O-N 2.87Å; H267-M270 PolarHBondContact O-N 3.44Å; H267-M270 VanDerWaalsContact O-N 3.1Å
271	V	71.5	Confident	64.1	Low	73 Å²	73	123.5 Å²	123.5	44%	0.442	59%	0.585	S	S	.	*	H	α-helix	trans	-85.9	-30	175.4	-179.4	0	0	0	0	111.6	H267 S273 R274 R275	H267-V271 WeakPolarHBondContact O-CB 3.4Å; H267-V271 WeakPolarHBondContact O-CG2 3.43Å; H267-V271 PolarHBondContact O-N 3.02Å; V271-S273 VanDerWaalsContact C-N 3.28Å; V271-S273 PolarHBondContact O-N 2.91Å; V271-R274 CarbonylContact O-C 3.6Å; V271-R274 VanDerWaalsContact O-CA 3.28Å; V271-R274 WeakPolarHBondContact O-CA 3.45Å; V271-R274 WeakPolarHBondContact O-CB 3.49Å; V271-R274 PolarHBondContact O-N 2.93Å; V271-R275 PolarHBondContact O-N 3.29Å
272	G	57.1	Low	62.6	Low	34 Å²	34	122.6 Å²	122.6	35%	0.351	60%	0.595	S	S	.	*	H	α-helix	trans	-62.7	-33.8	170.8	0	0	0	0	0	112.9	L268 R274 R275	L268-G272 WeakPolarHBondContact O-CA 3.09Å; L268-G272 PolarHBondContact O-N 2.83Å; G272-R274 PolarHBondContact O-N 3.41Å; G272-R275 WeakPolarHBondContact O-CB 3.48Å; G272-R275 PolarHBondContact O-N 3.04Å
273	S	50.7	Low	60.9	Low	107 Å²	107	118.9 Å²	118.9	75%	0.748	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-11	168.4	-156.1	0	0	0	0	113.5	R269 V271	R269-S273 PolarHBondContact O-N 3.11Å; V271-S273 VanDerWaalsContact C-N 3.28Å; V271-S273 PolarHBondContact O-N 2.91Å
274	R	49	Very low	59.3	Low	211 Å²	211	121 Å²	121	80%	0.796	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	13.2	169.9	-63	-169.6	176.4	-148.1	-1.5	113.1	V271 G272 V276	V271-R274 CarbonylContact O-C 3.6Å; V271-R274 VanDerWaalsContact O-CA 3.28Å; V271-R274 WeakPolarHBondContact O-CA 3.45Å; V271-R274 WeakPolarHBondContact O-CB 3.49Å; V271-R274 PolarHBondContact O-N 2.93Å; G272-R274 PolarHBondContact O-N 3.41Å; R274-V276 VanDerWaalsContact C-N 3.29Å; R274-V276 PolarHBondContact O-N 3.5Å
275	R	47.1	Very low	57.8	Low	219 Å²	219	127.6 Å²	127.6	83%	0.826	61%	0.608	S	S	*	*			trans	-68.7	92.2	160.9	-83	-172.1	165.8	-168.6	-5.4	109.1	V271 G272 K277	V271-R275 PolarHBondContact O-N 3.29Å; G272-R275 WeakPolarHBondContact O-CB 3.48Å; G272-R275 PolarHBondContact O-N 3.04Å; R275-K277 PolarHBondContact O-N 2.87Å
276	V	42.9	Very low	56.3	Low	110 Å²	110	126.8 Å²	126.8	67%	0.667	61%	0.611	S	S	*	*				37.5	89.8	110.8	-179.8	0	0	0	0	111.4	R274 A278	R274-V276 VanDerWaalsContact C-N 3.29Å; R274-V276 PolarHBondContact O-N 3.5Å; V276-A278 VanDerWaalsContact C-N 3.25Å; V276-A278 VanDerWaalsContact CG1-CA 3.49Å; V276-A278 HydrophobicContact CG1-CB 3.63Å
277	K	36.4	Very low	54.8	Low	173 Å²	173	129.2 Å²	129.2	75%	0.752	62%	0.617	S	S	*	*				-0.6	73.4	60.3	-89	-165.4	174.4	-173.9	0	114.9	R275	R275-K277 PolarHBondContact O-N 2.87Å
278	A	47.6	Very low	53.2	Low	82 Å²	82	128.8 Å²	128.8	68%	0.678	63%	0.626	S	S	*	*	S	Bend	trans	-62.6	-35.6	165.2	0	0	0	0	0	110.7	V276 T280	V276-A278 VanDerWaalsContact C-N 3.25Å; V276-A278 VanDerWaalsContact CG1-CA 3.49Å; V276-A278 HydrophobicContact CG1-CB 3.63Å; A278-T280 PolarHBondContact O-N 3.5Å
279	Q	40.1	Very low	51.4	Low	155 Å²	155	133.6 Å²	133.6	72%	0.724	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	98.4	159.4	-71.4	173.7	-23	0	0	110.2
280	T	45.4	Very low	49.5	Very low	40 Å²	40	129.7 Å²	129.7	25%	0.245	64%	0.642	C	S	.	*	T	Hydrogen-bonded Turn	trans	156.4	-4.9	136.4	47.4	0	0	0	0	112.4	A278 R284	A278-T280 PolarHBondContact O-N 3.5Å; T280-R284 WeakPolarHBondContact O-CB 3.48Å; T280-R284 PolarHBondContact O-N 3.26Å; T280-R284 PolarHBondContact O-NH1 3Å; T280-R284 PolarHBondContact OG1-NH1 3.44Å; T280-R284 PolarHBondContact OG1-NH2 2.92Å; T280-R284 VanDerWaalsContact OG1-NH2 3.1Å
281	F	48.3	Very low	47.8	Very low	177 Å²	177	135.5 Å²	135.5	78%	0.776	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-30.1	-178.7	-140.3	-82.5	0	0	0	113.9
282	A	50.3	Low	46.4	Very low	79 Å²	79	136.7 Å²	136.7	65%	0.653	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-55.8	164.3	0	0	0	0	0	110.6	R284 R285	A282-R284 VanDerWaalsContact C-N 3.27Å; A282-R284 PolarHBondContact O-N 3.31Å; A282-R285 WeakPolarHBondContact O-CB 3.21Å; A282-R285 PolarHBondContact O-N 3.08Å
283	E	50.7	Low	45.2	Very low	88 Å²	88	147.5 Å²	147.5	41%	0.411	70%	0.7	S	S	.	*	H	α-helix	trans	-61.3	-28.6	-174.6	-161.6	-179.8	-171.5	0	0	114.4	R285 R287	E283-R285 VanDerWaalsContact C-N 3.32Å; E283-R287 IonicContact OE1-CZ 2.65Å; E283-R287 IonicContact OE1-NH1 3.53Å; E283-R287 PolarHBondContact OE1-NH1 3.32Å; E283-R287 IonicContact OE1-NH2 3.86Å
284	R	49.1	Very low	44.9	Very low	140 Å²	140	147 Å²	147	53%	0.528	70%	0.698	S	S	.	*	H	α-helix	trans	-79.9	-10.7	176.1	-165.4	176.9	-69.4	97.5	-1	113	T280 A282	T280-R284 WeakPolarHBondContact O-CB 3.48Å; T280-R284 PolarHBondContact O-N 3.26Å; T280-R284 PolarHBondContact O-NH1 3Å; T280-R284 PolarHBondContact OG1-NH1 3.44Å; T280-R284 PolarHBondContact OG1-NH2 2.92Å; T280-R284 VanDerWaalsContact OG1-NH2 3.1Å; A282-R284 VanDerWaalsContact C-N 3.27Å; A282-R284 PolarHBondContact O-N 3.31Å
285	R	50.4	Low	44.4	Very low	217 Å²	217	143.9 Å²	143.9	82%	0.819	70%	0.696	S	S	*	*	H	α-helix	trans	-85.5	-26	172.9	-157.4	172.2	77.5	118.9	-0.6	112.6	A282 E283	A282-R285 WeakPolarHBondContact O-CB 3.21Å; A282-R285 PolarHBondContact O-N 3.08Å; E283-R285 VanDerWaalsContact C-N 3.32Å
286	E	50.6	Low	44.3	Very low	155 Å²	155	138.1 Å²	138.1	72%	0.724	69%	0.687	S	S	*	*	H	α-helix	trans	-90.9	-18.5	-173.6	-65.9	178.8	152.6	0	0	114.3
287	R	52.4	Low	44.3	Very low	175 Å²	175	138.6 Å²	138.6	66%	0.66	69%	0.691	S	S	*	*	S	Bend	trans	-111.8	13	-177	-63.5	-166.6	-177.5	116.6	0.1	115.6	E283	E283-R287 IonicContact OE1-CZ 2.65Å; E283-R287 IonicContact OE1-NH1 3.53Å; E283-R287 PolarHBondContact OE1-NH1 3.32Å; E283-R287 IonicContact OE1-NH2 3.86Å
288	S	45.4	Very low	44.5	Very low	94 Å²	94	136.5 Å²	136.5	66%	0.657	70%	0.695	S	S	*	*	S	Bend	trans	-128.6	11.5	-173.5	-60.5	0	0	0	0	116
289	F	39.5	Very low	44.4	Very low	196 Å²	196	140.6 Å²	140.6	86%	0.86	70%	0.702	S	S	*	*	S	Bend	trans	-126.1	1.3	169.9	-144.7	-102.6	0	0	0	113.9	R291	F289-R291 VanDerWaalsContact C-N 3.33Å; F289-R291 PolarHBondContact O-N 2.85Å
290	S	41.8	Very low	44.6	Very low	93 Å²	93	143.1 Å²	143.1	65%	0.65	71%	0.71	S	S	*	*			trans	-84.8	65.9	179.4	57.6	0	0	0	0	112.5
291	R	38.6	Very low	44.4	Very low	227 Å²	227	144.6 Å²	144.6	86%	0.857	73%	0.727	S	S	*	*			trans	-165.1	86.8	160.7	-108.8	173.7	-174.8	-84.9	-0.2	108.7	F289	F289-R291 VanDerWaalsContact C-N 3.33Å; F289-R291 PolarHBondContact O-N 2.85Å
292	S	41.5	Very low	43.8	Very low	99 Å²	99	143.3 Å²	143.3	69%	0.692	73%	0.728	S	S	*	*				73	86.1	88.9	-60.6	0	0	0	0	113.8
293	W	32.2	Very low	43.3	Very low	260 Å²	260	146.7 Å²	146.7	99%	0.985	74%	0.741	S	S	*	*			trans	-135.3	105.8	137.5	-82.3	98.3	0	0	0	107.7
294	S	43.1	Very low	43.1	Very low	98 Å²	98	147.3 Å²	147.3	69%	0.685	76%	0.755	S	S	*	*			trans	-81.1	177.2	161.1	-44.5	0	0	0	0	108.3
295	D	39.2	Very low	43	Very low	144 Å²	144	148.5 Å²	148.5	77%	0.77	77%	0.766	S	S	*	*			cis	-154.4	-164.7	24.5	-146.2	22	0	0	0	110.3
296	P	45.1	Very low	42.4	Very low	98 Å²	98	144.2 Å²	144.2	64%	0.636	76%	0.759	S	S	*	*				-127.1	-172.5	-108.6	41.7	-24	0	0	0	117.3
297	T	43.1	Very low	42.1	Very low	121 Å²	121	142 Å²	142	74%	0.742	76%	0.761	S	S	*	*			trans	-43.7	162	168.4	8.6	0	0	0	0	116.2
298	P	41.1	Very low	41.6	Very low	128 Å²	128	144.2 Å²	144.2	83%	0.831	77%	0.769	S	S	*	*				-149.6	-170.8	65.5	39.4	-16.8	0	0	0	118.1
299	M	44.7	Very low	41.4	Very low	169 Å²	169	146 Å²	146	83%	0.833	77%	0.772	S	S	*	*			trans	-100.9	163.3	-165.2	-52.5	166.2	66.1	0	0	115.6
300	K	44	Very low	41.2	Very low	207 Å²	207	142 Å²	142	90%	0.9	77%	0.767	S	S	*	*			trans	147.1	160.7	140.5	-84	175.7	-179.9	-172.8	0	110.9
301	A	41.2	Very low	41.5	Very low	72 Å²	72	141.8 Å²	141.8	60%	0.595	77%	0.766	S	S	*	*			cis	-168.7	155.5	-31.8	0	0	0	0	0	109
302	D	35.7	Very low	41.7	Very low	149 Å²	149	137.6 Å²	137.6	80%	0.797	76%	0.761	S	S	*	*			trans	36.1	116	156.3	-44.3	-34	0	0	0	121.5
303	T	40.4	Very low	42.1	Very low	151 Å²	151	141.4 Å²	141.4	93%	0.926	77%	0.772	S	S	*	*				-162.9	158	126.6	0.8	0	0	0	0	113.7
304	S	46.1	Very low	42.5	Very low	100 Å²	100	137.6 Å²	137.6	70%	0.699	77%	0.766	S	S	*	*			trans	-82.9	158.8	178.7	49.2	0	0	0	0	114
305	H	47.5	Very low	42.2	Very low	166 Å²	166	138.6 Å²	138.6	77%	0.769	77%	0.773	S	S	*	*				-173.1	168.3	104.7	-140.3	-84.8	0	0	0	113.4
306	D	37.8	Very low	41.8	Very low	127 Å²	127	136.9 Å²	136.9	68%	0.679	77%	0.772	S	S	*	*			trans	-70.4	171.6	-174.5	-66.6	-84.5	0	0	0	119.1
307	S	43.4	Very low	41.4	Very low	107 Å²	107	140.7 Å²	140.7	75%	0.748	78%	0.781	S	S	*	*			trans	90.1	104.5	137.8	63.8	0	0	0	0	121.5
308	R	42.4	Very low	41	Very low	223 Å²	223	140.5 Å²	140.5	84%	0.842	78%	0.783	S	S	*	*				60.9	157.7	112.5	-122.8	-171.5	-175.7	139.4	2.8	121.9
309	D	40.2	Very low	40.5	Very low	132 Å²	132	141 Å²	141	71%	0.706	78%	0.783	S	S	*	*			trans	70.3	119	165.9	-57.1	-15.2	0	0	0	115.1
310	S	37	Very low	40.1	Very low	110 Å²	110	140.3 Å²	140.3	77%	0.769	78%	0.782	S	S	*	*				91.7	137.1	94.6	-167.5	0	0	0	0	111
311	S	47.1	Very low	39.6	Very low	89 Å²	89	137 Å²	137	62%	0.622	78%	0.775	S	S	*	*			cis	-160.2	172.7	1.5	27.3	0	0	0	0	109.5
312	D	42.3	Very low	39.5	Very low	139 Å²	139	143.6 Å²	143.6	74%	0.743	79%	0.793	S	S	*	*			trans	20.2	110.5	151.7	-57.6	-54.8	0	0	0	119.5
313	L	50.5	Low	39.4	Very low	180 Å²	180	141.1 Å²	141.1	94%	0.942	79%	0.794	S	S	*	*			trans	-128.8	120.3	142.1	-83.6	-177.7	0	0	0	111
314	Q	40.6	Very low	39.4	Very low	180 Å²	180	138.3 Å²	138.3	84%	0.841	78%	0.779	S	S	*	*			trans	-79.6	128.5	-178.4	-62.2	159.9	-12.8	0	0	110.2
315	S	35.9	Very low	39.6	Very low	119 Å²	119	138.5 Å²	138.5	83%	0.832	77%	0.769	S	S	*	*			trans	-127.9	67.1	164.2	67.9	0	0	0	0	110.4	H317	S315-H317 PolarHBondContact O-N 2.97Å
316	S	31.7	Very low	39.9	Very low	107 Å²	107	139.1 Å²	139.1	75%	0.748	78%	0.778	S	S	*	*			trans	-68.7	115.6	178.8	55.2	0	0	0	0	111.5
317	H	37.5	Very low	40.8	Very low	179 Å²	179	136.9 Å²	136.9	83%	0.829	77%	0.765	S	S	*	*			trans	-153.1	146.2	166	-123.7	-87	0	0	0	111.9	S315	S315-H317 PolarHBondContact O-N 2.97Å
318	C	34.4	Very low	42.4	Very low	116 Å²	116	136.1 Å²	136.1	78%	0.784	75%	0.753	S	S	*	*			trans	63.6	69.5	171.3	-57.6	0	0	0	0	116.7
319	T	30.6	Very low	44.2	Very low	138 Å²	138	130.1 Å²	130.1	85%	0.847	73%	0.73	S	S	*	*			trans	-50.6	161.2	155.2	-31.7	0	0	0	0	113.3
320	L	35	Very low	46.2	Very low	155 Å²	155	128.1 Å²	128.1	81%	0.812	72%	0.72	S	S	*	*			trans	78.7	86.5	158.6	-155.7	170.8	0	0	0	113.6
321	D	34.1	Very low	48.6	Very low	138 Å²	138	126.4 Å²	126.4	74%	0.738	70%	0.704	S	S	*	*				-159.4	11.1	95.8	-147.3	23.1	0	0	0	116.8	A323	D321-A323 PolarHBondContact O-N 3.42Å
322	E	38.4	Very low	50.5	Low	211 Å²	211	123.1 Å²	123.1	99%	0.986	68%	0.679	S	S	*	*			trans	-75.4	42.1	-175	-66.4	-170.4	124.1	0	0	115.3
323	A	35.5	Very low	52.6	Low	97 Å²	97	119.6 Å²	119.6	80%	0.802	66%	0.657	S	S	*	*			trans	-105.7	4.3	-175.8	0	0	0	0	0	115	D321 E325	D321-A323 PolarHBondContact O-N 3.42Å; A323-E325 PolarHBondContact O-N 2.71Å
324	C	39.4	Very low	54.5	Low	92 Å²	92	112.5 Å²	112.5	62%	0.622	63%	0.628	S	S	*	*	S	Bend	trans	-92.2	80.5	-168.9	-163.5	0	0	0	0	114.3
325	E	49.4	Very low	56.8	Low	103 Å²	103	108.7 Å²	108.7	48%	0.481	61%	0.613	S	S	.	*			trans	57.7	73	151.9	-58.6	-179.6	173.9	0	0	118	A323 L327 R448	A323-E325 PolarHBondContact O-N 2.71Å; E325-L327 HydrophobicContact CB-CD1 3.95Å; E325-L327 HydrophobicContact CG-CD1 4.35Å; E325-L327 PolarHBondContact O-N 2.84Å; E325-R448 IonicContact OE2-CZ 2.95Å; E325-R448 VanDerWaalsContact OE2-CZ 3.26Å; E325-R448 IonicContact OE2-NH1 2.84Å; E325-R448 PolarHBondContact OE2-NH1 3.01Å; E325-R448 IonicContact OE2-NH2 2.79Å; E325-R448 PolarHBondContact OE2-NH2 3.05Å
326	D	54.2	Low	59.4	Low	180 Å²	180	103.2 Å²	103.2	96%	0.963	57%	0.574	S	S	*	*			trans	-69.5	78.3	148.8	-92.6	-24	0	0	0	109.3
327	L	57.9	Low	62.2	Low	79 Å²	79	100.4 Å²	100.4	41%	0.414	56%	0.557	S	S	.	*			trans	-72.4	126.9	155.4	-90.9	79.7	0	0	0	107.7	E325 W329 E332	E325-L327 HydrophobicContact CB-CD1 3.95Å; E325-L327 HydrophobicContact CG-CD1 4.35Å; E325-L327 PolarHBondContact O-N 2.84Å; L327-W329 PolarHBondContact O-N 2.83Å; L327-E332 HydrophobicContact CB-CG 3.74Å; L327-E332 HydrophobicContact CD2-CG 3.84Å; L327-E332 HydrophobicContact CG-CG 4.45Å
328	D	76.8	Confident	64.7	Low	92 Å²	92	98.5 Å²	98.5	49%	0.492	55%	0.55	S	S	.	*			trans	-49.5	130.5	172.6	162.4	49.3	0	0	0	111.3	D330 T331 E332	D328-D330 VanDerWaalsContact C-N 3.33Å; D328-D330 PolarHBondContact O-N 2.92Å; D328-D330 PolarHBondContact OD1-N 2.98Å; D328-T331 WeakPolarHBondContact O-CA 3.26Å; D328-T331 WeakPolarHBondContact O-CB 3.08Å; D328-T331 PolarHBondContact O-N 2.8Å; D328-T331 VanDerWaalsContact O-N 3.08Å; D328-T331 WeakPolarHBondContact OD2-CB 3.41Å; D328-T331 PolarHBondContact OD2-N 3.17Å; D328-T331 PolarHBondContact OD2-OG1 3.33Å; D328-E332 PolarHBondContact O-N 2.85Å
329	W	80.2	Confident	67.3	Low	97 Å²	97	94 Å²	94	37%	0.367	52%	0.521	S	S	.	.	H	α-helix	trans	-64.2	-37.9	-172.3	178.8	89.2	0	0	0	112.1	L327 T331 K333 K452 Y487	L327-W329 PolarHBondContact O-N 2.83Å; W329-T331 VanDerWaalsContact C-N 3.34Å; W329-K333 HydrophobicContact CE3-CD 4.14Å; W329-K333 HydrophobicContact CH2-CD 3.51Å; W329-K333 HydrophobicContact CZ2-CD 4.04Å; W329-K333 HydrophobicContact CZ3-CD 3.57Å; W329-K333 WeakPolarHBondContact O-CB 3.4Å; W329-K333 PolarHBondContact O-N 3.25Å; W329-K452 HydrophobicContact CZ2-CB 4.43Å; W329-Y487 AromaticContact CD1-CE1 3.65Å; W329-Y487 AromaticContact NE1-CD1 3.95Å; W329-Y487 AromaticContact NE1-CE1 3.63Å
330	D	82.8	Confident	69.9	Low	89 Å²	89	88.5 Å²	88.5	48%	0.476	49%	0.489	S	S	.	.	H	α-helix	trans	-72.4	-29.2	175.5	-84.3	-58.8	0	0	0	111.8	D328 K333 G334	D328-D330 VanDerWaalsContact C-N 3.33Å; D328-D330 PolarHBondContact O-N 2.92Å; D328-D330 PolarHBondContact OD1-N 2.98Å; D330-K333 IonicContact OD1-NZ 2.72Å; D330-K333 PolarHBondContact OD1-NZ 3.29Å; D330-G334 PolarHBondContact O-N 2.81Å
331	T	86.2	Confident	72.1	Confident	74 Å²	74	88 Å²	88	45%	0.454	49%	0.486	S	S	.	.	H	α-helix	trans	-66.7	-49.3	170.4	-63.2	0	0	0	0	112.6	D328 W329 K333 G334 L335	D328-T331 WeakPolarHBondContact O-CA 3.26Å; D328-T331 WeakPolarHBondContact O-CB 3.08Å; D328-T331 PolarHBondContact O-N 2.8Å; D328-T331 VanDerWaalsContact O-N 3.08Å; D328-T331 WeakPolarHBondContact OD2-CB 3.41Å; D328-T331 PolarHBondContact OD2-N 3.17Å; D328-T331 PolarHBondContact OD2-OG1 3.33Å; W329-T331 VanDerWaalsContact C-N 3.34Å; T331-K333 VanDerWaalsContact C-N 3.26Å; T331-K333 PolarHBondContact O-N 2.93Å; T331-G334 PolarHBondContact O-N 2.85Å; T331-L335 HydrophobicContact CG2-CD1 4.35Å; T331-L335 WeakPolarHBondContact O-CG 3.43Å; T331-L335 PolarHBondContact O-N 3.46Å
332	E	86.2	Confident	74.5	Confident	20 Å²	20	84.9 Å²	84.9	9%	0.093	47%	0.472	C	S	.	.	H	α-helix	trans	-60.1	-38.7	175.1	-74.6	-155.8	170.9	0	0	111.6	L327 D328 E336 R448 K452	L327-E332 HydrophobicContact CB-CG 3.74Å; L327-E332 HydrophobicContact CD2-CG 3.84Å; L327-E332 HydrophobicContact CG-CG 4.45Å; D328-E332 PolarHBondContact O-N 2.85Å; E332-E336 PolarHBondContact O-N 3.28Å; E332-R448 IonicContact OE1-CZ 2.69Å; E332-R448 IonicContact OE1-NE 3.46Å; E332-R448 PolarHBondContact OE1-NE 3.38Å; E332-R448 IonicContact OE1-NH2 2.67Å; E332-R448 PolarHBondContact OE1-NH2 2.92Å; E332-K452 HydrophobicContact CB-CD 4.19Å; E332-K452 WeakPolarHBondContact OE2-CE 3.47Å; E332-K452 IonicContact OE2-NZ 2.87Å; E332-K452 PolarHBondContact OE2-NZ 3.24Å
333	K	87.9	Confident	76.7	Confident	65 Å²	65	84.2 Å²	84.2	28%	0.283	47%	0.47	S	S	.	.	H	α-helix	trans	-68.9	-37.8	177.6	176	178.1	148.5	-143.7	0	113	W329 D330 T331 E336 A337 K452 V453	W329-K333 HydrophobicContact CE3-CD 4.14Å; W329-K333 HydrophobicContact CH2-CD 3.51Å; W329-K333 HydrophobicContact CZ2-CD 4.04Å; W329-K333 HydrophobicContact CZ3-CD 3.57Å; W329-K333 WeakPolarHBondContact O-CB 3.4Å; W329-K333 PolarHBondContact O-N 3.25Å; D330-K333 IonicContact OD1-NZ 2.72Å; D330-K333 PolarHBondContact OD1-NZ 3.29Å; T331-K333 VanDerWaalsContact C-N 3.26Å; T331-K333 PolarHBondContact O-N 2.93Å; K333-E336 PolarHBondContact O-N 3.47Å; K333-A337 WeakPolarHBondContact O-CB 3.23Å; K333-A337 PolarHBondContact O-N 2.85Å; K333-K452 HydrophobicContact CB-CB 3.69Å; K333-K452 HydrophobicContact CD-CB 4.22Å; K333-K452 HydrophobicContact CG-CB 3.84Å; K333-V453 HydrophobicContact CG-CG1 4.13Å; K333-V453 WeakPolarHBondContact O-CG1 3.44Å
334	G	88.9	Confident	79.1	Confident	31 Å²	31	82.9 Å²	82.9	32%	0.32	47%	0.465	S	S	.	.	H	α-helix	trans	-65.8	-41.6	174.4	0	0	0	0	0	112.3	D330 T331 A337 M338	D330-G334 PolarHBondContact O-N 2.81Å; T331-G334 PolarHBondContact O-N 2.85Å; G334-A337 PolarHBondContact O-N 2.99Å; G334-M338 WeakPolarHBondContact O-CG 3.46Å; G334-M338 PolarHBondContact O-N 3.02Å
335	L	89.5	Confident	81.5	Confident	100 Å²	100	80.6 Å²	80.6	52%	0.524	45%	0.445	S	S	.	.	H	α-helix	trans	-62	-43.4	173.3	-69.8	168.8	0	0	0	111.9	T331 M338 A339	T331-L335 HydrophobicContact CG2-CD1 4.35Å; T331-L335 WeakPolarHBondContact O-CG 3.43Å; T331-L335 PolarHBondContact O-N 3.46Å; L335-M338 HydrophobicContact CD2-CE 3.99Å; L335-A339 PolarHBondContact O-N 3Å; L335-A339 VanDerWaalsContact O-N 3.09Å
336	E	91.1	Very high	83.5	Confident	5 Å²	5	79.3 Å²	79.3	2%	0.023	44%	0.441	C	S	.	.	H	α-helix	trans	-63.2	-43.5	174.2	-173.3	-175.8	160.8	0	0	111.9	E332 K333 M338 A339 C340 K405 S451 K452 V453	E332-E336 PolarHBondContact O-N 3.28Å; K333-E336 PolarHBondContact O-N 3.47Å; E336-M338 VanDerWaalsContact C-N 3.35Å; E336-M338 PolarHBondContact O-N 3.3Å; E336-A339 PolarHBondContact O-N 3.14Å; E336-C340 WeakPolarHBondContact O-CB 3.42Å; E336-C340 PolarHBondContact O-N 3.4Å; E336-C340 PolarHBondContact O-SG 3.42Å; E336-C340 VanDerWaalsContact O-SG 3.33Å; E336-K405 HydrophobicContact CG-CB 4.47Å; E336-K405 HydrophobicContact CG-CG 3.97Å; E336-S451 VanDerWaalsContact OE1-CA 3.24Å; E336-S451 WeakPolarHBondContact OE1-CA 3.41Å; E336-S451 WeakPolarHBondContact OE1-CB 3.2Å; E336-S451 PolarHBondContact OE1-OG 3.46Å; E336-K452 PolarHBondContact OE1-N 3.35Å; E336-K452 PolarHBondContact OE2-N 3.11Å; E336-V453 HydrophobicContact CB-CG1 3.93Å; E336-V453 HydrophobicContact CG-CG1 3.87Å; E336-V453 HydrophobicContact CG-CG2 4.24Å; E336-V453 WeakPolarHBondContact OE1-CG2 3.3Å
337	A	90.4	Very high	85.4	Confident	48 Å²	48	72.2 Å²	72.2	40%	0.397	40%	0.404	S	S	.	.	H	α-helix	trans	-62.4	-40.4	179.2	0	0	0	0	0	112.2	K333 G334 N341 V453	K333-A337 WeakPolarHBondContact O-CB 3.23Å; K333-A337 PolarHBondContact O-N 2.85Å; G334-A337 PolarHBondContact O-N 2.99Å; A337-N341 PolarHBondContact O-N 2.71Å; A337-V453 HydrophobicContact CB-CG1 3.89Å
338	M	90.1	Very high	87.2	Confident	139 Å²	139	68.4 Å²	68.4	69%	0.685	39%	0.385	S	S	*	.	H	α-helix	trans	-67.1	-36.6	174.5	-70.8	-174.7	-68.8	0	0	112.5	G334 L335 E336	G334-M338 WeakPolarHBondContact O-CG 3.46Å; G334-M338 PolarHBondContact O-N 3.02Å; L335-M338 HydrophobicContact CD2-CE 3.99Å; E336-M338 VanDerWaalsContact C-N 3.35Å; E336-M338 PolarHBondContact O-N 3.3Å
339	A	87.7	Confident	88.2	Confident	21 Å²	21	65.1 Å²	65.1	17%	0.174	37%	0.366	C	S	.	.	H	α-helix	trans	-70	-39.5	176.2	0	0	0	0	0	112.6	L335 E336 N341 T342 H401	L335-A339 PolarHBondContact O-N 3Å; L335-A339 VanDerWaalsContact O-N 3.09Å; E336-A339 PolarHBondContact O-N 3.14Å; A339-N341 VanDerWaalsContact C-N 3.31Å; A339-N341 PolarHBondContact O-N 3.2Å; A339-T342 PolarHBondContact O-OG1 3.22Å; A339-H401 PolarHBondContact O-CE1 2.72Å
340	C	85.9	Confident	89	Confident	23 Å²	23	60.5 Å²	60.5	16%	0.155	35%	0.349	C	S	.	.	S	Bend	trans	-83.7	0.8	-176.4	-64.9	0	0	0	0	114.2	E336 T342 F345	E336-C340 WeakPolarHBondContact O-CB 3.42Å; E336-C340 PolarHBondContact O-N 3.4Å; E336-C340 PolarHBondContact O-SG 3.42Å; E336-C340 VanDerWaalsContact O-SG 3.33Å; C340-T342 PolarHBondContact O-N 2.88Å; C340-F345 HydrophobicContact CB-CD1 3.86Å; C340-F345 HydrophobicContact CB-CE1 3.72Å; C340-F345 HydrophobicContact CB-CZ 4.28Å; C340-F345 WeakPolarHBondContact SG-CE1 3.35Å; C340-F345 VanDerWaalsContact SG-CZ 3.54Å
341	N	82.2	Confident	89.7	Confident	143 Å²	143	56.3 Å²	56.3	77%	0.765	33%	0.326	S	S	*	.			trans	-80.7	13.3	179.8	-164.2	51.7	0	0	0	114	A337 A339	A337-N341 PolarHBondContact O-N 2.71Å; A339-N341 VanDerWaalsContact C-N 3.31Å; A339-N341 PolarHBondContact O-N 3.2Å
342	T	83.4	Confident	90.3	Very high	73 Å²	73	52.9 Å²	52.9	45%	0.448	31%	0.305	S	S	.	.	S	Bend	trans	-74.5	132.7	175.5	-52	0	0	0	0	110.5	A339 C340 G344 F345 H401	A339-T342 PolarHBondContact O-OG1 3.22Å; C340-T342 PolarHBondContact O-N 2.88Å; T342-G344 PolarHBondContact O-N 2.95Å; T342-F345 VanDerWaalsContact O-CB 3.26Å; T342-F345 WeakPolarHBondContact O-CB 3.49Å; T342-F345 PolarHBondContact O-N 2.84Å; T342-F345 VanDerWaalsContact O-N 3.08Å; T342-H401 PolarHBondContact OG1-NE2 2.84Å; T342-H401 VanDerWaalsContact OG1-NE2 3.15Å
343	E	85.3	Confident	90.8	Very high	198 Å²	198	52 Å²	52	93%	0.925	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	130.5	176.1	-172.5	173.8	-171.3	0	0	111	F345	E343-F345 VanDerWaalsContact C-N 3.33Å; E343-F345 PolarHBondContact O-N 3.09Å
344	G	85.4	Confident	91.3	Very high	69 Å²	69	48.9 Å²	48.9	71%	0.711	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	5.9	-176.5	0	0	0	0	0	115.8	T342 L346	T342-G344 PolarHBondContact O-N 2.95Å; G344-L346 PolarHBondContact O-N 3.2Å
345	F	90.1	Very high	91.6	Very high	43 Å²	43	49.4 Å²	49.4	19%	0.189	29%	0.286	C	S	.	.			trans	-59.7	131.9	173.9	176.8	-99.3	0	0	0	112.1	C340 T342 E343 P347 Y400 H401 A404	C340-F345 HydrophobicContact CB-CD1 3.86Å; C340-F345 HydrophobicContact CB-CE1 3.72Å; C340-F345 HydrophobicContact CB-CZ 4.28Å; C340-F345 WeakPolarHBondContact SG-CE1 3.35Å; C340-F345 VanDerWaalsContact SG-CZ 3.54Å; T342-F345 VanDerWaalsContact O-CB 3.26Å; T342-F345 WeakPolarHBondContact O-CB 3.49Å; T342-F345 PolarHBondContact O-N 2.84Å; T342-F345 VanDerWaalsContact O-N 3.08Å; E343-F345 VanDerWaalsContact C-N 3.33Å; E343-F345 PolarHBondContact O-N 3.09Å; F345-P347 HydrophobicContact CE1-CB 4.45Å; F345-P347 HydrophobicContact CE1-CG 4.19Å; F345-Y400 HydrophobicContact CE2-CE1 4.25Å; F345-H401 HydrophobicContact CD2-CB 4.42Å; F345-H401 AromaticContact CD2-CD2 3.88Å; F345-H401 HydrophobicContact CE2-CB 4.03Å; F345-A404 HydrophobicContact CE2-CB 3.88Å; F345-A404 HydrophobicContact CZ-CB 3.92Å
346	L	91.6	Very high	91.8	Very high	76 Å²	76	47.6 Å²	47.6	40%	0.398	27%	0.274	S	S	.	.			trans	-114.8	125.2	175.3	-63.4	178.6	0	0	0	109.8	G344 P372 Y400	G344-L346 PolarHBondContact O-N 3.2Å; L346-P372 HydrophobicContact CD1-CG 4.35Å; L346-Y400 PolarHBondContact O-OH 3.46Å; L346-Y400 VanDerWaalsContact O-OH 3.12Å
347	P	93.3	Very high	91.9	Very high	31 Å²	31	47.7 Å²	47.7	20%	0.201	28%	0.275	C	S	.	.			trans	-60.9	125	179.7	-24.8	33.9	0	0	0	112.3	F345 W407	F345-P347 HydrophobicContact CE1-CB 4.45Å; F345-P347 HydrophobicContact CE1-CG 4.19Å; P347-W407 HydrophobicContact CB-CB 3.66Å; P347-W407 HydrophobicContact CB-CD2 4.04Å; P347-W407 HydrophobicContact CB-CE3 3.88Å; P347-W407 HydrophobicContact CB-CG 4.02Å; P347-W407 HydrophobicContact CG-CE3 4.45Å
348	P	95.7	Very high	91.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.268	C	S	.	.			trans	-71.1	147.6	-166.1	25.4	-34.3	0	0	0	114.2	S373 I375 L397 Y400 A404 K405 W407	P348-S373 WeakPolarHBondContact CA-O 3.36Å; P348-I375 HydrophobicContact CB-CD1 3.85Å; P348-L397 HydrophobicContact CB-CD2 4Å; P348-L397 HydrophobicContact CG-CD2 3.67Å; P348-Y400 HydrophobicContact CB-CD1 3.98Å; P348-Y400 HydrophobicContact CB-CE1 3.99Å; P348-Y400 HydrophobicContact CG-CD1 4.39Å; P348-Y400 HydrophobicContact CG-CE1 4.44Å; P348-A404 HydrophobicContact CG-CB 4.26Å; P348-K405 WeakPolarHBondContact CD-O 3.31Å; P348-K405 VanDerWaalsContact CG-O 3.25Å; P348-K405 WeakPolarHBondContact CG-O 3.37Å; P348-W407 PolarHBondContact O-N 3.43Å; P348-W407 VanDerWaalsContact O-N 3.1Å
349	K	97.2	Very high	91.9	Very high	22 Å²	22	42.5 Å²	42.5	10%	0.096	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	92.2	-177	-55.8	-172.7	-167	77.6	0	110.6	D371 S373 I374 I375 K408 T507 Y508	K349-D371 WeakPolarHBondContact CE-OD2 3.22Å; K349-D371 IonicContact NZ-OD1 3.7Å; K349-D371 IonicContact NZ-OD2 2.96Å; K349-D371 PolarHBondContact NZ-OD2 2.76Å; K349-S373 PolarHBondContact N-O 3.05Å; K349-S373 PolarHBondContact NZ-OG 2.87Å; K349-I374 HydrophobicContact CB-CG1 4.17Å; K349-I374 HydrophobicContact CD-CG1 4.32Å; K349-I374 WeakPolarHBondContact O-CA 3.5Å; K349-I375 PolarHBondContact O-N 2.58Å; K349-K408 CarbonylContact C-O 3.56Å; K349-K408 WeakPolarHBondContact CA-O 3.47Å; K349-K408 HydrophobicContact CG-CB 4.5Å; K349-T507 HydrophobicContact CD-CG2 4.32Å; K349-Y508 HydrophobicContact CB-CE1 4.08Å
350	V	97.8	Very high	92.1	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	132.3	-174.9	177.5	0	0	0	0	111.3	I375 I377 I393 L397 I406 K408 M409 L410	V350-I375 HydrophobicContact CG2-CB 4.36Å; V350-I377 HydrophobicContact CG1-CD1 4.03Å; V350-I393 HydrophobicContact CG1-CG1 4.38Å; V350-L397 HydrophobicContact CG2-CD2 4.1Å; V350-I406 HydrophobicContact CB-CD1 4.34Å; V350-I406 HydrophobicContact CB-CG2 4.33Å; V350-I406 HydrophobicContact CG2-CD1 4.04Å; V350-I406 HydrophobicContact CG2-CG1 3.84Å; V350-I406 HydrophobicContact CG2-CG2 4.26Å; V350-K408 PolarHBondContact N-O 3.03Å; V350-M409 HydrophobicContact CB-CG 4.41Å; V350-M409 CarbonylContact O-C 3.59Å; V350-M409 VanDerWaalsContact O-CA 3.26Å; V350-M409 WeakPolarHBondContact O-CA 3.21Å; V350-L410 PolarHBondContact O-N 3.22Å
351	M	98	Very high	92.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	103.4	176.5	-66.2	172.4	59.5	0	0	110.7	I353 I363 I367 I374 I375 I377 L410 Y508 F509	M351-I353 HydrophobicContact CE-CD1 4.42Å; M351-I363 HydrophobicContact CE-CG2 4.5Å; M351-I367 HydrophobicContact CE-CD1 3.79Å; M351-I367 HydrophobicContact CE-CG1 3.85Å; M351-I367 HydrophobicContact SD-CD1 3.77Å; M351-I367 HydrophobicContact SD-CG1 4.04Å; M351-I374 HydrophobicContact CG-CG2 4.04Å; M351-I374 HydrophobicContact SD-CG2 3.23Å; M351-I374 WeakPolarHBondContact SD-CG2 3.22Å; M351-I375 PolarHBondContact N-O 2.69Å; M351-I377 PolarHBondContact O-N 3.27Å; M351-L410 CarbonylContact C-O 3.5Å; M351-L410 WeakPolarHBondContact CA-O 3.27Å; M351-L410 HydrophobicContact CE-CD2 4.03Å; M351-L410 HydrophobicContact CG-CB 4.12Å; M351-L410 HydrophobicContact CG-CD2 4.25Å; M351-Y508 HydrophobicContact CG-CD1 3.51Å; M351-Y508 HydrophobicContact CG-CE1 4.05Å; M351-Y508 HydrophobicContact CG-CG 4.28Å; M351-Y508 HydrophobicContact SD-CD1 3.82Å; M351-Y508 HydrophobicContact SD-CG 4.23Å; M351-F509 HydrophobicContact CE-CD1 4.18Å; M351-F509 HydrophobicContact CE-CE1 3.31Å; M351-F509 HydrophobicContact CE-CE2 4.25Å; M351-F509 HydrophobicContact CE-CZ 3.36Å
352	L	97.9	Very high	92.8	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	112.8	175.4	-173.5	66.4	0	0	0	109.9	I377 Y379 I389 M409 L410 F412	L352-I377 HydrophobicContact CD1-CB 4.33Å; L352-I377 HydrophobicContact CD1-CG2 4.02Å; L352-Y379 HydrophobicContact CD1-CD1 3.45Å; L352-Y379 VanDerWaalsContact CD1-CD1 3.45Å; L352-Y379 HydrophobicContact CD1-CE1 4.03Å; L352-Y379 HydrophobicContact CD1-CG 4.2Å; L352-Y379 HydrophobicContact CD2-CD1 4.45Å; L352-Y379 HydrophobicContact CD2-CE1 4.24Å; L352-Y379 HydrophobicContact CG-CD1 3.67Å; L352-Y379 HydrophobicContact CG-CE1 3.7Å; L352-I389 HydrophobicContact CD1-CG2 3.79Å; L352-I389 HydrophobicContact CD2-CG2 3.86Å; L352-M409 HydrophobicContact CB-CE 3.89Å; L352-M409 HydrophobicContact CD2-CE 4.03Å; L352-L410 PolarHBondContact N-O 2.81Å; L352-F412 PolarHBondContact O-N 2.94Å
353	I	97.7	Very high	93.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.6	-170.3	-58.7	160.5	0	0	0	109.5	M351 A360 I363 P376 I377 L378 Y379	M351-I353 HydrophobicContact CE-CD1 4.42Å; I353-A360 HydrophobicContact CG2-CB 4.19Å; I353-I363 HydrophobicContact CD1-CB 4.2Å; I353-I363 HydrophobicContact CD1-CG2 3.64Å; I353-I363 HydrophobicContact CG1-CG2 4.27Å; I353-I363 HydrophobicContact CG2-CB 4.46Å; I353-I363 HydrophobicContact CG2-CD1 3.73Å; I353-P376 HydrophobicContact CD1-CB 4.22Å; I353-I377 PolarHBondContact N-O 2.97Å; I353-L378 HydrophobicContact CB-CD1 4.23Å; I353-L378 HydrophobicContact CG2-CD1 3.81Å; I353-L378 WeakPolarHBondContact O-CA 2.88Å; I353-Y379 WeakPolarHBondContact O-CD1 3.37Å; I353-Y379 PolarHBondContact O-N 2.87Å
354	S	97.2	Very high	93.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	137.8	179.3	-173.9	0	0	0	0	112.7	K356 V357 Y379 F412	S354-K356 PolarHBondContact O-N 3.37Å; S354-K356 PolarHBondContact OG-N 3.08Å; S354-V357 WeakPolarHBondContact O-CG2 3.43Å; S354-V357 PolarHBondContact O-N 3.37Å; S354-Y379 WeakPolarHBondContact CB-OH 3.45Å; S354-Y379 PolarHBondContact OG-OH 2.82Å; S354-F412 WeakPolarHBondContact CB-O 3.19Å; S354-F412 PolarHBondContact N-O 3.3Å
355	S	95.6	Very high	93.8	Very high	42 Å²	42	27.8 Å²	27.8	29%	0.294	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-9.9	167.6	71.1	0	0	0	0	114.7	Y379 D380 H381	S355-Y379 PolarHBondContact N-O 3.49Å; S355-D380 WeakPolarHBondContact CB-OD1 3.47Å; S355-D380 PolarHBondContact OG-OD1 3.08Å; S355-H381 PolarHBondContact OG-N 3.37Å
356	K	94.4	Very high	94	Very high	63 Å²	63	25.8 Å²	25.8	27%	0.274	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-6.5	171.6	-59.3	-47.3	-179.5	-150.5	0	114.5	S354 H381 E382 Q414	S354-K356 PolarHBondContact O-N 3.37Å; S354-K356 PolarHBondContact OG-N 3.08Å; K356-H381 HydrophobicContact CD-CB 4.46Å; K356-H381 HydrophobicContact CG-CB 3.73Å; K356-E382 WeakPolarHBondContact CE-OE1 3.42Å; K356-E382 VanDerWaalsContact NZ-CG 3.33Å; K356-E382 IonicContact NZ-OE1 3.22Å; K356-E382 PolarHBondContact NZ-OE1 3.12Å; K356-Q414 HydrophobicContact CB-CG 3.96Å; K356-Q414 PolarHBondContact O-NE2 3.16Å
357	V	93.3	Very high	94.2	Very high	6 Å²	6	23 Å²	23	4%	0.036	12%	0.122	C	C	.	.	S	Bend	trans	-67.3	133.5	169.6	-175.2	0	0	0	0	108.6	S354 K359 A360 I363 F412 W517	S354-V357 WeakPolarHBondContact O-CG2 3.43Å; S354-V357 PolarHBondContact O-N 3.37Å; V357-K359 PolarHBondContact O-N 3.1Å; V357-A360 HydrophobicContact CB-CB 4.1Å; V357-A360 WeakPolarHBondContact O-CB 3.39Å; V357-A360 PolarHBondContact O-N 3.03Å; V357-I363 HydrophobicContact CB-CD1 4.1Å; V357-I363 HydrophobicContact CG1-CD1 3.62Å; V357-F412 HydrophobicContact CB-CE2 4.48Å; V357-F412 HydrophobicContact CG1-CD1 4.26Å; V357-F412 HydrophobicContact CG1-CD2 4.08Å; V357-F412 HydrophobicContact CG1-CE1 3.81Å; V357-F412 HydrophobicContact CG1-CE2 3.59Å; V357-F412 HydrophobicContact CG1-CG 4.4Å; V357-F412 HydrophobicContact CG1-CZ 3.46Å; V357-F412 VanDerWaalsContact CG1-CZ 3.46Å; V357-F412 HydrophobicContact CG2-CB 4.42Å; V357-F412 HydrophobicContact CG2-CD1 4.43Å; V357-F412 HydrophobicContact CG2-CD2 3.62Å; V357-F412 HydrophobicContact CG2-CE2 3.96Å; V357-F412 HydrophobicContact CG2-CG 3.89Å; V357-F412 VanDerWaalsContact CG2-O 3.27Å; V357-F412 WeakPolarHBondContact CG2-O 3.44Å; V357-W517 HydrophobicContact CG1-CH2 3.76Å; V357-W517 HydrophobicContact CG1-CZ2 4.02Å
358	P	90.8	Very high	94.2	Very high	41 Å²	41	25.6 Å²	25.6	27%	0.266	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	121.7	-179.2	-17.6	30.1	0	0	0	110.5	W517 Q521	P358-W517 WeakPolarHBondContact O-CZ2 3.47Å; P358-Q521 HydrophobicContact CB-CB 4.31Å; P358-Q521 HydrophobicContact CB-CG 4.23Å
359	K	89.3	Confident	94	Very high	38 Å²	38	34.5 Å²	34.5	17%	0.165	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	47.3	-172.8	-68.7	-169.7	168.2	-123	0	113.4	V357 E361 Y362 W517 F528	V357-K359 PolarHBondContact O-N 3.1Å; K359-E361 VanDerWaalsContact C-N 3.26Å; K359-E361 VanDerWaalsContact C-OE2 3.25Å; K359-E361 WeakPolarHBondContact CA-OE1 3.37Å; K359-E361 WeakPolarHBondContact CA-OE2 3.46Å; K359-E361 PolarHBondContact O-N 3.42Å; K359-Y362 HydrophobicContact CB-CD2 3.98Å; K359-Y362 HydrophobicContact CD-CD2 4.24Å; K359-Y362 HydrophobicContact CD-CE2 4.43Å; K359-Y362 HydrophobicContact CG-CD2 4.3Å; K359-Y362 PolarHBondContact O-N 2.82Å; K359-W517 PolarHBondContact O-NE1 3.25Å; K359-F528 HydrophobicContact CD-CD1 4.03Å; K359-F528 HydrophobicContact CD-CD2 4.04Å; K359-F528 HydrophobicContact CD-CE1 3.58Å; K359-F528 HydrophobicContact CD-CE2 3.53Å; K359-F528 HydrophobicContact CD-CG 4.24Å; K359-F528 HydrophobicContact CD-CZ 3.27Å; K359-F528 VanDerWaalsContact NZ-CE2 3.32Å
360	A	92.7	Very high	93.8	Very high	3 Å²	3	38.5 Å²	38.5	3%	0.025	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-60.6	-34.9	178.4	0	0	0	0	0	113	I353 V357 Y362 I363 L378	I353-A360 HydrophobicContact CG2-CB 4.19Å; V357-A360 HydrophobicContact CB-CB 4.1Å; V357-A360 WeakPolarHBondContact O-CB 3.39Å; V357-A360 PolarHBondContact O-N 3.03Å; A360-Y362 PolarHBondContact O-N 3.17Å; A360-I363 HydrophobicContact CB-CD1 4.37Å; A360-I363 VanDerWaalsContact O-CB 3.29Å; A360-I363 WeakPolarHBondContact O-CB 3.31Å; A360-I363 WeakPolarHBondContact O-CG1 3.21Å; A360-I363 PolarHBondContact O-N 2.86Å; A360-L378 HydrophobicContact CB-CD1 3.84Å
361	E	90.7	Very high	93.6	Very high	104 Å²	104	39.9 Å²	39.9	49%	0.486	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-59.5	-25.7	178.2	65.5	-73.4	173.4	0	0	113.5	K359	K359-E361 VanDerWaalsContact C-N 3.26Å; K359-E361 VanDerWaalsContact C-OE2 3.25Å; K359-E361 WeakPolarHBondContact CA-OE1 3.37Å; K359-E361 WeakPolarHBondContact CA-OE2 3.46Å; K359-E361 PolarHBondContact O-N 3.42Å
362	Y	91.3	Very high	93.3	Very high	40 Å²	40	44.5 Å²	44.5	16%	0.157	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-91.4	-2.7	175.5	-68	-83	0	0	0	114	K359 A360 T365 F528 D529 L532	K359-Y362 HydrophobicContact CB-CD2 3.98Å; K359-Y362 HydrophobicContact CD-CD2 4.24Å; K359-Y362 HydrophobicContact CD-CE2 4.43Å; K359-Y362 HydrophobicContact CG-CD2 4.3Å; K359-Y362 PolarHBondContact O-N 2.82Å; A360-Y362 PolarHBondContact O-N 3.17Å; Y362-T365 PolarHBondContact O-N 2.79Å; Y362-T365 PolarHBondContact O-OG1 3.13Å; Y362-T365 VanDerWaalsContact O-OG1 3.09Å; Y362-F528 HydrophobicContact CD1-CB 4.04Å; Y362-F528 HydrophobicContact CD1-CD1 4.08Å; Y362-F528 HydrophobicContact CD2-CD1 4.16Å; Y362-F528 HydrophobicContact CE1-CB 3.59Å; Y362-F528 HydrophobicContact CE1-CD1 4.42Å; Y362-F528 HydrophobicContact CE1-CG 4.43Å; Y362-F528 HydrophobicContact CE2-CB 4.27Å; Y362-F528 HydrophobicContact CE2-CD1 4.5Å; Y362-F528 AromaticContact CG-CD1 3.93Å; Y362-F528 HydrophobicContact CG-CD1 3.93Å; Y362-D529 WeakPolarHBondContact CE1-OD1 3.21Å; Y362-D529 VanDerWaalsContact CZ-OD1 3.28Å; Y362-D529 PolarHBondContact OH-OD1 3.19Å; Y362-L532 HydrophobicContact CD1-CD1 4.35Å
363	I	92.9	Very high	93.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-35.5	-178	-63.8	177.9	0	0	0	112.6	M351 I353 V357 A360 T365 I366 F412 F509 W517	M351-I363 HydrophobicContact CE-CG2 4.5Å; I353-I363 HydrophobicContact CD1-CB 4.2Å; I353-I363 HydrophobicContact CD1-CG2 3.64Å; I353-I363 HydrophobicContact CG1-CG2 4.27Å; I353-I363 HydrophobicContact CG2-CB 4.46Å; I353-I363 HydrophobicContact CG2-CD1 3.73Å; V357-I363 HydrophobicContact CB-CD1 4.1Å; V357-I363 HydrophobicContact CG1-CD1 3.62Å; A360-I363 HydrophobicContact CB-CD1 4.37Å; A360-I363 VanDerWaalsContact O-CB 3.29Å; A360-I363 WeakPolarHBondContact O-CB 3.31Å; A360-I363 WeakPolarHBondContact O-CG1 3.21Å; A360-I363 PolarHBondContact O-N 2.86Å; I363-T365 VanDerWaalsContact C-N 3.3Å; I363-T365 PolarHBondContact O-N 3.04Å; I363-I366 WeakPolarHBondContact O-CG1 3.21Å; I363-I366 PolarHBondContact O-N 2.84Å; I363-F412 HydrophobicContact CD1-CD1 3.79Å; I363-F412 HydrophobicContact CD1-CE1 3.65Å; I363-F509 HydrophobicContact CG2-CE1 3.7Å; I363-F509 HydrophobicContact CG2-CZ 4.31Å; I363-W517 HydrophobicContact CD1-CH2 4.01Å; I363-W517 HydrophobicContact CD1-CZ2 3.64Å; I363-W517 HydrophobicContact CG1-CH2 4.25Å; I363-W517 HydrophobicContact CG1-CZ2 3.56Å
364	P	92	Very high	93.2	Very high	37 Å²	37	45 Å²	45	24%	0.24	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-60.1	-31	175.2	-27.8	37.3	0	0	0	115.2	V101 I366	V101-P364 HydrophobicContact CG2-CG 4.38Å; P364-I366 VanDerWaalsContact C-N 3.3Å; P364-I366 PolarHBondContact O-N 2.93Å
365	T	90.7	Very high	93.2	Very high	34 Å²	34	45.7 Å²	45.7	21%	0.209	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-76.1	-18.4	-176.2	66.8	0	0	0	0	113.6	Y362 I363 R369	Y362-T365 PolarHBondContact O-N 2.79Å; Y362-T365 PolarHBondContact O-OG1 3.13Å; Y362-T365 VanDerWaalsContact O-OG1 3.09Å; I363-T365 VanDerWaalsContact C-N 3.3Å; I363-T365 PolarHBondContact O-N 3.04Å; T365-R369 PolarHBondContact O-NH2 3.1Å
366	I	93.5	Very high	93.2	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-99.3	4.2	-179.3	66.6	159.2	0	0	0	114.1	I363 P364 F509 D510 L513 Y514 W517 L532	I363-I366 WeakPolarHBondContact O-CG1 3.21Å; I363-I366 PolarHBondContact O-N 2.84Å; P364-I366 VanDerWaalsContact C-N 3.3Å; P364-I366 PolarHBondContact O-N 2.93Å; I366-F509 HydrophobicContact CD1-CD1 3.92Å; I366-F509 HydrophobicContact CD1-CE1 4.23Å; I366-F509 HydrophobicContact CG1-CD1 3.96Å; I366-F509 HydrophobicContact CG1-CE1 4.38Å; I366-F509 WeakPolarHBondContact O-CA 3.39Å; I366-D510 PolarHBondContact O-N 2.77Å; I366-L513 HydrophobicContact CB-CB 3.79Å; I366-L513 HydrophobicContact CG2-CB 3.78Å; I366-Y514 HydrophobicContact CD1-CD2 4.13Å; I366-W517 HydrophobicContact CD1-CB 4.01Å; I366-W517 HydrophobicContact CD1-CD2 3.98Å; I366-W517 HydrophobicContact CD1-CE3 4.15Å; I366-W517 HydrophobicContact CD1-CG 3.91Å; I366-W517 HydrophobicContact CG2-CB 4.17Å; I366-L532 HydrophobicContact CG2-CD1 3.96Å; I366-L532 HydrophobicContact CG2-CD2 3.97Å
367	I	95.4	Very high	93.4	Very high	17 Å²	17	43.2 Å²	43.2	9%	0.087	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-69.1	152.3	174.2	-71.5	175	0	0	0	110.3	M351 R369 I374 P376 F509	M351-I367 HydrophobicContact CE-CD1 3.79Å; M351-I367 HydrophobicContact CE-CG1 3.85Å; M351-I367 HydrophobicContact SD-CD1 3.77Å; M351-I367 HydrophobicContact SD-CG1 4.04Å; I367-R369 PolarHBondContact O-N 3.43Å; I367-R369 VanDerWaalsContact O-N 3.17Å; I367-I374 HydrophobicContact CG2-CB 4.18Å; I367-I374 HydrophobicContact CG2-CD1 4.27Å; I367-I374 HydrophobicContact CG2-CG2 3.7Å; I367-P376 HydrophobicContact CD1-CB 3.6Å; I367-P376 HydrophobicContact CD1-CG 3.8Å; I367-F509 HydrophobicContact CG1-CD1 4.35Å; I367-F509 HydrophobicContact CG1-CE1 4.43Å
368	R	94.6	Very high	93.6	Very high	86 Å²	86	44.2 Å²	44.2	33%	0.325	22%	0.221	S	C	.	.			trans	-60.2	114.7	173.5	-74.6	-166.8	74.3	151.4	-2.2	110.9	D370 I374 E506 Y508 F509	R368-D370 VanDerWaalsContact CB-OD1 3.31Å; R368-D370 WeakPolarHBondContact CB-OD1 3.27Å; R368-D370 IonicContact CZ-OD1 2.7Å; R368-D370 IonicContact CZ-OD2 3.36Å; R368-D370 IonicContact NE-OD1 2.87Å; R368-D370 PolarHBondContact NE-OD1 2.96Å; R368-D370 IonicContact NE-OD2 3.15Å; R368-D370 PolarHBondContact NE-OD2 2.9Å; R368-D370 IonicContact NH2-OD1 3.26Å; R368-D370 IonicContact NH2-OD2 2.73Å; R368-D370 PolarHBondContact NH2-OD2 2.85Å; R368-D370 PolarHBondContact O-N 3.05Å; R368-I374 HydrophobicContact CB-CD1 3.87Å; R368-E506 VanDerWaalsContact CD-O 3.28Å; R368-E506 WeakPolarHBondContact CD-O 3.44Å; R368-E506 PolarHBondContact NH1-O 2.79Å; R368-Y508 PolarHBondContact N-O 3.4Å; R368-F509 WeakPolarHBondContact CG-O 3.37Å
369	R	91.7	Very high	93.9	Very high	187 Å²	187	42.4 Å²	42.4	71%	0.706	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-9	178.6	-55.7	-178.4	-169.3	172.4	4.8	112.4	T365 I367 L532	T365-R369 PolarHBondContact O-NH2 3.1Å; I367-R369 PolarHBondContact O-N 3.43Å; I367-R369 VanDerWaalsContact O-N 3.17Å; R369-L532 PolarHBondContact NH2-O 3.07Å
370	D	92.5	Very high	94.2	Very high	107 Å²	107	42 Å²	42	57%	0.572	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-7.8	178.7	62	-60.8	0	0	0	114.4	R368	R368-D370 VanDerWaalsContact CB-OD1 3.31Å; R368-D370 WeakPolarHBondContact CB-OD1 3.27Å; R368-D370 IonicContact CZ-OD1 2.7Å; R368-D370 IonicContact CZ-OD2 3.36Å; R368-D370 IonicContact NE-OD1 2.87Å; R368-D370 PolarHBondContact NE-OD1 2.96Å; R368-D370 IonicContact NE-OD2 3.15Å; R368-D370 PolarHBondContact NE-OD2 2.9Å; R368-D370 IonicContact NH2-OD1 3.26Å; R368-D370 IonicContact NH2-OD2 2.73Å; R368-D370 PolarHBondContact NH2-OD2 2.85Å; R368-D370 PolarHBondContact O-N 3.05Å
371	D	92.9	Very high	94.4	Very high	30 Å²	30	42.9 Å²	42.9	16%	0.16	21%	0.212	C	C	.	.			trans	-123.3	95.5	179	-177.2	-5	0	0	0	111.1	K349 S373 I374	K349-D371 WeakPolarHBondContact CE-OD2 3.22Å; K349-D371 IonicContact NZ-OD1 3.7Å; K349-D371 IonicContact NZ-OD2 2.96Å; K349-D371 PolarHBondContact NZ-OD2 2.76Å; D371-S373 PolarHBondContact O-N 3.3Å; D371-S373 WeakPolarHBondContact OD1-CB 3.29Å; D371-S373 PolarHBondContact OD1-N 2.67Å; D371-S373 PolarHBondContact OD1-OG 3.46Å; D371-I374 HydrophobicContact CB-CD1 3.75Å; D371-I374 HydrophobicContact CB-CG1 4.17Å; D371-I374 PolarHBondContact O-N 2.8Å
372	P	92.7	Very high	94.6	Very high	96 Å²	96	41.7 Å²	41.7	62%	0.623	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-4.7	-177.8	31.3	-36.2	0	0	0	113.7	L346 I374 Y400	L346-P372 HydrophobicContact CD1-CG 4.35Å; P372-I374 PolarHBondContact O-N 3.18Å; P372-Y400 VanDerWaalsContact O-CE2 3.28Å; P372-Y400 WeakPolarHBondContact O-CE2 2.94Å
373	S	95	Very high	94.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-4.8	175.9	74.1	0	0	0	0	113.4	P348 K349 D371 Y400	P348-S373 WeakPolarHBondContact CA-O 3.36Å; K349-S373 PolarHBondContact N-O 3.05Å; K349-S373 PolarHBondContact NZ-OG 2.87Å; D371-S373 PolarHBondContact O-N 3.3Å; D371-S373 WeakPolarHBondContact OD1-CB 3.29Å; D371-S373 PolarHBondContact OD1-N 2.67Å; D371-S373 PolarHBondContact OD1-OG 3.46Å; S373-Y400 WeakPolarHBondContact CB-OH 3.4Å
374	I	97.2	Very high	94.9	Very high	15 Å²	15	46.1 Å²	46.1	8%	0.077	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	119	-178.8	-59.7	169.1	0	0	0	110.8	K349 M351 I367 R368 D371 P372 P376	K349-I374 HydrophobicContact CB-CG1 4.17Å; K349-I374 HydrophobicContact CD-CG1 4.32Å; K349-I374 WeakPolarHBondContact O-CA 3.5Å; M351-I374 HydrophobicContact CG-CG2 4.04Å; M351-I374 HydrophobicContact SD-CG2 3.23Å; M351-I374 WeakPolarHBondContact SD-CG2 3.22Å; I367-I374 HydrophobicContact CG2-CB 4.18Å; I367-I374 HydrophobicContact CG2-CD1 4.27Å; I367-I374 HydrophobicContact CG2-CG2 3.7Å; R368-I374 HydrophobicContact CB-CD1 3.87Å; D371-I374 HydrophobicContact CB-CD1 3.75Å; D371-I374 HydrophobicContact CB-CG1 4.17Å; D371-I374 PolarHBondContact O-N 2.8Å; P372-I374 PolarHBondContact O-N 3.18Å; I374-P376 WeakPolarHBondContact O-CD 3.46Å
375	I	97	Very high	95.2	Very high	14 Å²	14	47.8 Å²	47.8	7%	0.072	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	98.6	-172.3	-58.2	176	0	0	0	110.1	P348 K349 V350 M351 I377 K396 L397 Y400	P348-I375 HydrophobicContact CB-CD1 3.85Å; K349-I375 PolarHBondContact O-N 2.58Å; V350-I375 HydrophobicContact CG2-CB 4.36Å; M351-I375 PolarHBondContact N-O 2.69Å; I375-I377 HydrophobicContact CG2-CG1 4.44Å; I375-K396 HydrophobicContact CG2-CB 3.72Å; I375-K396 HydrophobicContact CG2-CD 4.42Å; I375-K396 HydrophobicContact CG2-CG 4.38Å; I375-L397 HydrophobicContact CD1-CD2 4.18Å; I375-Y400 HydrophobicContact CD1-CD1 4.27Å; I375-Y400 HydrophobicContact CD1-CD2 4.36Å; I375-Y400 HydrophobicContact CD1-CG 3.84Å
376	P	97.1	Very high	95.5	Very high	47 Å²	47	46.7 Å²	46.7	31%	0.305	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	135.3	176.2	29.7	-33.4	0	0	0	113.4	I353 I367 I374	I353-P376 HydrophobicContact CD1-CB 4.22Å; I367-P376 HydrophobicContact CD1-CB 3.6Å; I367-P376 HydrophobicContact CD1-CG 3.8Å; I374-P376 WeakPolarHBondContact O-CD 3.46Å
377	I	97.6	Very high	95.6	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.031	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	109.4	176	-59.4	177.5	0	0	0	108.3	V350 M351 L352 I353 I375 E392 I393 K396	V350-I377 HydrophobicContact CG1-CD1 4.03Å; M351-I377 PolarHBondContact O-N 3.27Å; L352-I377 HydrophobicContact CD1-CB 4.33Å; L352-I377 HydrophobicContact CD1-CG2 4.02Å; I353-I377 PolarHBondContact N-O 2.97Å; I375-I377 HydrophobicContact CG2-CG1 4.44Å; I377-E392 HydrophobicContact CG2-CB 4.45Å; I377-E392 HydrophobicContact CG2-CG 4.04Å; I377-I393 HydrophobicContact CD1-CB 4.24Å; I377-I393 HydrophobicContact CD1-CG1 3.6Å; I377-K396 HydrophobicContact CD1-CB 4.2Å; I377-K396 HydrophobicContact CD1-CG 4.09Å; I377-K396 HydrophobicContact CG1-CG 4.18Å
378	L	97.1	Very high	95.7	Very high	26 Å²	26	50.3 Å²	50.3	14%	0.136	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	118.5	174.9	179.1	65.8	0	0	0	109.3	V101 I353 A360	V101-L378 HydrophobicContact CG1-CD2 4.37Å; I353-L378 HydrophobicContact CB-CD1 4.23Å; I353-L378 HydrophobicContact CG2-CD1 3.81Å; I353-L378 WeakPolarHBondContact O-CA 2.88Å; A360-L378 HydrophobicContact CB-CD1 3.84Å
379	Y	97.2	Very high	95.9	Very high	3 Å²	3	46.5 Å²	46.5	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.9	-178.6	78	-87	0	0	0	111.6	L352 I353 S354 S355 H381 A384 I389 L422 L423	L352-Y379 HydrophobicContact CD1-CD1 3.45Å; L352-Y379 VanDerWaalsContact CD1-CD1 3.45Å; L352-Y379 HydrophobicContact CD1-CE1 4.03Å; L352-Y379 HydrophobicContact CD1-CG 4.2Å; L352-Y379 HydrophobicContact CD2-CD1 4.45Å; L352-Y379 HydrophobicContact CD2-CE1 4.24Å; L352-Y379 HydrophobicContact CG-CD1 3.67Å; L352-Y379 HydrophobicContact CG-CE1 3.7Å; I353-Y379 WeakPolarHBondContact O-CD1 3.37Å; I353-Y379 PolarHBondContact O-N 2.87Å; S354-Y379 WeakPolarHBondContact CB-OH 3.45Å; S354-Y379 PolarHBondContact OG-OH 2.82Å; S355-Y379 PolarHBondContact N-O 3.49Å; Y379-H381 HydrophobicContact CE2-CB 4.34Å; Y379-H381 PolarHBondContact O-N 2.97Å; Y379-A384 HydrophobicContact CD2-CB 4.46Å; Y379-I389 HydrophobicContact CD2-CD1 3.7Å; Y379-I389 HydrophobicContact CD2-CG1 4.36Å; Y379-I389 HydrophobicContact CE2-CD1 4.08Å; Y379-I389 HydrophobicContact CG-CD1 3.96Å; Y379-I389 HydrophobicContact CG-CG1 4.26Å; Y379-L422 WeakPolarHBondContact CE2-O 3.47Å; Y379-L422 PolarHBondContact OH-O 2.85Å; Y379-L423 HydrophobicContact CD2-CD2 4.01Å; Y379-L423 HydrophobicContact CE2-CD2 3.81Å
380	D	96.7	Very high	96.2	Very high	30 Å²	30	37.9 Å²	37.9	16%	0.16	20%	0.204	C	C	.	.			trans	-83.1	108.6	173.2	-169.4	10.8	0	0	0	112.3	S355 E382 H383 A384	S355-D380 WeakPolarHBondContact CB-OD1 3.47Å; S355-D380 PolarHBondContact OG-OD1 3.08Å; D380-E382 PolarHBondContact O-N 2.84Å; D380-E382 PolarHBondContact OD1-N 3.28Å; D380-E382 VanDerWaalsContact OD1-N 3.08Å; D380-H383 PolarHBondContact O-N 3.36Å; D380-H383 IonicContact OD2-CE1 3.77Å; D380-H383 IonicContact OD2-CG 2.66Å; D380-H383 IonicContact OD2-ND1 3.81Å; D380-H383 PolarHBondContact OD2-ND1 2.92Å; D380-A384 VanDerWaalsContact O-CB 3.29Å; D380-A384 WeakPolarHBondContact O-CB 3.42Å; D380-A384 PolarHBondContact O-N 2.95Å
381	H	96	Very high	96.4	Very high	22 Å²	22	38.6 Å²	38.6	10%	0.102	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-26.8	172.8	178.1	86.8	0	0	0	114.6	S355 K356 Y379 Y421 L422 L423 K424	S355-H381 PolarHBondContact OG-N 3.37Å; K356-H381 HydrophobicContact CD-CB 4.46Å; K356-H381 HydrophobicContact CG-CB 3.73Å; Y379-H381 HydrophobicContact CE2-CB 4.34Å; Y379-H381 PolarHBondContact O-N 2.97Å; H381-Y421 PolarHBondContact CE1-O 2.82Å; H381-Y421 PolarHBondContact ND1-O 2.86Å; H381-L422 PolarHBondContact ND1-O 3.34Å; H381-L423 PolarHBondContact CE1-O 2.92Å; H381-K424 PolarHBondContact CE1-N 2.99Å; H381-K424 PolarHBondContact NE2-N 3.45Å; H381-K424 WeakPolarHBondContact O-CB 3.44Å; H381-K424 PolarHBondContact O-N 3.22Å
382	E	95.3	Very high	96.6	Very high	79 Å²	79	38.2 Å²	38.2	37%	0.369	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-16.7	-178.1	-62.4	-149.2	-143.2	0	0	115.9	K356 D380 K424	K356-E382 WeakPolarHBondContact CE-OE1 3.42Å; K356-E382 VanDerWaalsContact NZ-CG 3.33Å; K356-E382 IonicContact NZ-OE1 3.22Å; K356-E382 PolarHBondContact NZ-OE1 3.12Å; D380-E382 PolarHBondContact O-N 2.84Å; D380-E382 PolarHBondContact OD1-N 3.28Å; D380-E382 VanDerWaalsContact OD1-N 3.08Å; E382-K424 HydrophobicContact CB-CD 3.8Å; E382-K424 HydrophobicContact CG-CD 3.86Å; E382-K424 WeakPolarHBondContact OE2-CE 3.21Å; E382-K424 IonicContact OE2-NZ 2.58Å; E382-K424 PolarHBondContact OE2-NZ 2.93Å
383	H	95.9	Very high	96.9	Very high	120 Å²	120	33.7 Å²	33.7	56%	0.556	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-136.8	-22.2	-169.8	-56.5	112	0	0	0	115.3	D380	D380-H383 PolarHBondContact O-N 3.36Å; D380-H383 IonicContact OD2-CE1 3.77Å; D380-H383 IonicContact OD2-CG 2.66Å; D380-H383 IonicContact OD2-ND1 3.81Å; D380-H383 PolarHBondContact OD2-ND1 2.92Å
384	A	95.9	Very high	97	Very high	12 Å²	12	36.9 Å²	36.9	10%	0.099	19%	0.186	C	C	.	.			trans	-70.6	147.3	175.1	0	0	0	0	0	111.4	Y379 D380 I389 L423	Y379-A384 HydrophobicContact CD2-CB 4.46Å; D380-A384 VanDerWaalsContact O-CB 3.29Å; D380-A384 WeakPolarHBondContact O-CB 3.42Å; D380-A384 PolarHBondContact O-N 2.95Å; A384-I389 HydrophobicContact CB-CG1 4.48Å; A384-L423 HydrophobicContact CB-CD2 4.18Å; A384-L423 WeakPolarHBondContact O-CD1 3.45Å; A384-L423 VanDerWaalsContact O-CD2 3.25Å; A384-L423 WeakPolarHBondContact O-CD2 3.44Å
385	T	96.6	Very high	97	Very high	72 Å²	72	41.5 Å²	41.5	44%	0.442	21%	0.206	S	C	.	.			trans	-93.4	175.6	166.5	67.8	0	0	0	0	111	E387 D388 I389	T385-E387 VanDerWaalsContact C-N 3.29Å; T385-E387 PolarHBondContact OG1-N 3.4Å; T385-D388 VanDerWaalsContact CB-OD2 3.3Å; T385-D388 WeakPolarHBondContact CB-OD2 3.48Å; T385-D388 WeakPolarHBondContact CG2-OD2 3.25Å; T385-D388 PolarHBondContact N-OD2 3.33Å; T385-D388 PolarHBondContact OG1-N 2.96Å; T385-D388 VanDerWaalsContact OG1-N 3.12Å; T385-D388 PolarHBondContact OG1-OD2 3.14Å; T385-I389 WeakPolarHBondContact O-CG1 3.43Å; T385-I389 PolarHBondContact O-N 2.98Å
386	F	97.2	Very high	97	Very high	11 Å²	11	43.4 Å²	43.4	5%	0.048	21%	0.214	C	C	.	.	H	α-helix	trans	-66.1	-33.8	170.6	-75.1	-56.1	0	0	0	111.9	I389 L390 L422 L423 K426 D438 M439 F442	F386-I389 PolarHBondContact O-N 2.95Å; F386-L390 WeakPolarHBondContact O-CG 3.43Å; F386-L390 PolarHBondContact O-N 2.79Å; F386-L390 VanDerWaalsContact O-N 3.08Å; F386-L422 HydrophobicContact CE1-CB 4.27Å; F386-L422 HydrophobicContact CE1-CD1 4.08Å; F386-L423 HydrophobicContact CD1-CD1 3.73Å; F386-L423 HydrophobicContact CD2-CD1 4.22Å; F386-L423 HydrophobicContact CE1-CD1 3.82Å; F386-L423 HydrophobicContact CE1-CG 4.28Å; F386-L423 HydrophobicContact CE2-CD1 4.3Å; F386-L423 HydrophobicContact CG-CD1 3.94Å; F386-L423 HydrophobicContact CZ-CD1 4.1Å; F386-K426 HydrophobicContact CE2-CB 4.21Å; F386-K426 HydrophobicContact CE2-CD 4.32Å; F386-K426 HydrophobicContact CE2-CG 4.12Å; F386-K426 HydrophobicContact CZ-CB 4.08Å; F386-K426 HydrophobicContact CZ-CG 4.49Å; F386-D438 HydrophobicContact CD2-CB 4.28Å; F386-D438 WeakPolarHBondContact CE2-OD2 3.29Å; F386-M439 HydrophobicContact CE2-CG 3.73Å; F386-M439 HydrophobicContact CZ-CG 3.72Å; F386-F442 HydrophobicContact CB-CB 3.97Å; F386-F442 HydrophobicContact CB-CD2 3.74Å; F386-F442 HydrophobicContact CB-CG 4.11Å; F386-F442 HydrophobicContact CD1-CB 3.89Å; F386-F442 AromaticContact CD1-CD1 3.95Å; F386-F442 HydrophobicContact CD1-CD1 3.95Å; F386-F442 AromaticContact CD1-CD2 3.47Å; F386-F442 HydrophobicContact CD1-CD2 3.47Å; F386-F442 VanDerWaalsContact CD1-CD2 3.47Å; F386-F442 HydrophobicContact CD1-CE1 4.38Å; F386-F442 AromaticContact CD1-CE2 3.94Å; F386-F442 HydrophobicContact CD1-CE2 3.94Å; F386-F442 AromaticContact CD1-CG 3.46Å; F386-F442 HydrophobicContact CD1-CG 3.46Å; F386-F442 VanDerWaalsContact CD1-CG 3.46Å; F386-F442 HydrophobicContact CD1-CZ 4.37Å; F386-F442 HydrophobicContact CD2-CB 4.34Å; F386-F442 HydrophobicContact CE1-CB 4.47Å; F386-F442 HydrophobicContact CE1-CD1 4.08Å; F386-F442 HydrophobicContact CE1-CD2 4.38Å; F386-F442 HydrophobicContact CE1-CE1 4.45Å; F386-F442 HydrophobicContact CE1-CG 4.04Å; F386-F442 HydrophobicContact CG-CB 3.82Å; F386-F442 AromaticContact CG-CD2 3.91Å; F386-F442 HydrophobicContact CG-CD2 3.91Å; F386-F442 AromaticContact CG-CG 3.89Å; F386-F442 HydrophobicContact CG-CG 3.89Å
387	E	96.9	Very high	96.9	Very high	77 Å²	77	41.4 Å²	41.4	36%	0.36	20%	0.2	S	C	.	.	H	α-helix	trans	-71.6	-42.7	177.9	-55.3	-43.6	119.1	0	0	112.3	T385 I389 L390 E391 H441	T385-E387 VanDerWaalsContact C-N 3.29Å; T385-E387 PolarHBondContact OG1-N 3.4Å; E387-I389 PolarHBondContact O-N 3.36Å; E387-I389 VanDerWaalsContact O-N 3.1Å; E387-L390 PolarHBondContact O-N 2.99Å; E387-E391 WeakPolarHBondContact O-CB 3.33Å; E387-E391 WeakPolarHBondContact O-CG 3.2Å; E387-E391 PolarHBondContact O-N 2.68Å; E387-H441 IonicContact OE1-CD2 2.91Å
388	D	96.9	Very high	96.8	Very high	17 Å²	17	44.5 Å²	44.5	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-57.3	-30.8	174.7	-58.9	-79.6	0	0	0	111.7	I104 R106 T385 E392	I104-D388 HydrophobicContact CG2-CB 4.47Å; R106-D388 IonicContact CZ-OD1 3.3Å; R106-D388 IonicContact NE-OD1 3.89Å; R106-D388 PolarHBondContact NE-OD1 3.05Å; R106-D388 VanDerWaalsContact NE-OD1 3.15Å; R106-D388 IonicContact NH2-OD1 3.09Å; R106-D388 PolarHBondContact NH2-OD1 3.17Å; T385-D388 VanDerWaalsContact CB-OD2 3.3Å; T385-D388 WeakPolarHBondContact CB-OD2 3.48Å; T385-D388 WeakPolarHBondContact CG2-OD2 3.25Å; T385-D388 PolarHBondContact N-OD2 3.33Å; T385-D388 PolarHBondContact OG1-N 2.96Å; T385-D388 VanDerWaalsContact OG1-N 3.12Å; T385-D388 PolarHBondContact OG1-OD2 3.14Å; D388-E392 PolarHBondContact O-N 2.81Å
389	I	97.8	Very high	96.7	Very high	6 Å²	6	49.1 Å²	49.1	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-74.2	-44.5	175.8	-69.8	171	0	0	0	111.1	L352 Y379 A384 T385 F386 E387 I393 L423 F442	L352-I389 HydrophobicContact CD1-CG2 3.79Å; L352-I389 HydrophobicContact CD2-CG2 3.86Å; Y379-I389 HydrophobicContact CD2-CD1 3.7Å; Y379-I389 HydrophobicContact CD2-CG1 4.36Å; Y379-I389 HydrophobicContact CE2-CD1 4.08Å; Y379-I389 HydrophobicContact CG-CD1 3.96Å; Y379-I389 HydrophobicContact CG-CG1 4.26Å; A384-I389 HydrophobicContact CB-CG1 4.48Å; T385-I389 WeakPolarHBondContact O-CG1 3.43Å; T385-I389 PolarHBondContact O-N 2.98Å; F386-I389 PolarHBondContact O-N 2.95Å; E387-I389 PolarHBondContact O-N 3.36Å; E387-I389 VanDerWaalsContact O-N 3.1Å; I389-I393 HydrophobicContact CG2-CD1 3.78Å; I389-I393 WeakPolarHBondContact O-CD1 3.42Å; I389-I393 WeakPolarHBondContact O-CG1 3.46Å; I389-I393 PolarHBondContact O-N 2.84Å; I389-L423 HydrophobicContact CD1-CD1 4.45Å; I389-L423 HydrophobicContact CD1-CD2 4.08Å; I389-L423 HydrophobicContact CD1-CG 4.42Å; I389-F442 HydrophobicContact CG2-CE2 4.02Å; I389-F442 HydrophobicContact CG2-CZ 4.49Å
390	L	97.9	Very high	96.6	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-66.6	-43.4	179.2	-71.7	164.1	0	0	0	111.8	F386 E387 I393 E394 F442 R445 L446 L449	F386-L390 WeakPolarHBondContact O-CG 3.43Å; F386-L390 PolarHBondContact O-N 2.79Å; F386-L390 VanDerWaalsContact O-N 3.08Å; E387-L390 PolarHBondContact O-N 2.99Å; L390-I393 PolarHBondContact O-N 3.29Å; L390-E394 PolarHBondContact O-N 3.07Å; L390-F442 HydrophobicContact CD1-CD2 3.85Å; L390-F442 HydrophobicContact CD2-CD2 4.15Å; L390-F442 HydrophobicContact CD2-CE2 4.11Å; L390-F442 HydrophobicContact CG-CD2 3.87Å; L390-F442 HydrophobicContact CG-CE2 4.03Å; L390-R445 HydrophobicContact CD1-CB 3.88Å; L390-R445 HydrophobicContact CD1-CG 3.87Å; L390-R445 HydrophobicContact CD2-CB 4.39Å; L390-R445 HydrophobicContact CD2-CG 4.3Å; L390-L446 HydrophobicContact CD2-CB 4.01Å; L390-L446 HydrophobicContact CD2-CD1 4.39Å; L390-L449 HydrophobicContact CD2-CD1 4.14Å
391	E	97.5	Very high	96.4	Very high	122 Å²	122	53.3 Å²	53.3	57%	0.57	26%	0.256	S	S	*	.	H	α-helix	trans	-57.8	-48.2	174.7	-74.3	-177.6	-176.2	0	0	111.5	E387 I393 E394 K395	E387-E391 WeakPolarHBondContact O-CB 3.33Å; E387-E391 WeakPolarHBondContact O-CG 3.2Å; E387-E391 PolarHBondContact O-N 2.68Å; E391-I393 PolarHBondContact O-N 2.75Å; E391-E394 PolarHBondContact O-N 2.96Å; E391-K395 WeakPolarHBondContact O-CB 3.47Å; E391-K395 PolarHBondContact O-N 3.44Å
392	E	97.6	Very high	96.3	Very high	22 Å²	22	60.4 Å²	60.4	10%	0.103	29%	0.287	C	S	.	.	H	α-helix	trans	-68.2	-35.1	178.8	-167.9	70.2	-158.7	0	0	112.1	I104 I377 D388 K395 K396	I104-E392 HydrophobicContact CD1-CB 3.69Å; I104-E392 HydrophobicContact CD1-CG 3.76Å; I377-E392 HydrophobicContact CG2-CB 4.45Å; I377-E392 HydrophobicContact CG2-CG 4.04Å; D388-E392 PolarHBondContact O-N 2.81Å; E392-K395 IonicContact OE1-NZ 2.66Å; E392-K395 PolarHBondContact OE1-NZ 3.43Å; E392-K395 WeakPolarHBondContact OE2-CD 2.85Å; E392-K395 WeakPolarHBondContact OE2-CE 3.46Å; E392-K395 IonicContact OE2-NZ 3.5Å; E392-K395 PolarHBondContact OE2-NZ 2.86Å; E392-K396 HydrophobicContact CG-CG 4.04Å; E392-K396 WeakPolarHBondContact O-CB 3.4Å; E392-K396 WeakPolarHBondContact O-CG 3.13Å; E392-K396 PolarHBondContact O-N 2.92Å; E392-K396 WeakPolarHBondContact OE1-CE 3.31Å; E392-K396 IonicContact OE1-NZ 2.72Å
393	I	98.1	Very high	96.1	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-51.7	173.1	-71.1	165.4	0	0	0	110.4	V350 I377 I389 L390 E391 K395 K396 L397 I406 M409 L446 L449	V350-I393 HydrophobicContact CG1-CG1 4.38Å; I377-I393 HydrophobicContact CD1-CB 4.24Å; I377-I393 HydrophobicContact CD1-CG1 3.6Å; I389-I393 HydrophobicContact CG2-CD1 3.78Å; I389-I393 WeakPolarHBondContact O-CD1 3.42Å; I389-I393 WeakPolarHBondContact O-CG1 3.46Å; I389-I393 PolarHBondContact O-N 2.84Å; L390-I393 PolarHBondContact O-N 3.29Å; E391-I393 PolarHBondContact O-N 2.75Å; I393-K395 PolarHBondContact O-N 2.87Å; I393-K396 PolarHBondContact O-N 3.24Å; I393-L397 HydrophobicContact CG2-CD1 3.87Å; I393-L397 WeakPolarHBondContact O-CB 3.43Å; I393-L397 VanDerWaalsContact O-CG 3.31Å; I393-L397 WeakPolarHBondContact O-CG 3.36Å; I393-L397 PolarHBondContact O-N 3.37Å; I393-I406 HydrophobicContact CG2-CD1 3.84Å; I393-M409 HydrophobicContact CD1-CE 4.02Å; I393-L446 HydrophobicContact CD1-CD1 4.23Å; I393-L449 HydrophobicContact CB-CD1 4.47Å; I393-L449 HydrophobicContact CG2-CD1 3.86Å
394	E	97	Very high	95.9	Very high	68 Å²	68	52.5 Å²	52.5	32%	0.318	26%	0.259	S	S	.	.	H	α-helix	trans	-65.1	-40.4	-178.8	-179.2	156.7	-163	0	0	111.9	L390 E391 N398 R445 L449	L390-E394 PolarHBondContact O-N 3.07Å; E391-E394 PolarHBondContact O-N 2.96Å; E394-N398 WeakPolarHBondContact O-CB 3.42Å; E394-N398 PolarHBondContact O-N 3.46Å; E394-N398 PolarHBondContact O-ND2 3.22Å; E394-R445 IonicContact OE2-NH2 3.38Å; E394-R445 PolarHBondContact OE2-NH2 3.07Å; E394-L449 HydrophobicContact CB-CD2 4.36Å; E394-L449 HydrophobicContact CG-CD2 4.47Å
395	K	97.3	Very high	95.8	Very high	112 Å²	112	53.9 Å²	53.9	49%	0.487	26%	0.263	S	S	.	.	H	α-helix	trans	-60.3	-47.3	172.4	172.5	179.9	159.6	-159.3	0	112.2	E391 E392 I393 N398 I399	E391-K395 WeakPolarHBondContact O-CB 3.47Å; E391-K395 PolarHBondContact O-N 3.44Å; E392-K395 IonicContact OE1-NZ 2.66Å; E392-K395 PolarHBondContact OE1-NZ 3.43Å; E392-K395 WeakPolarHBondContact OE2-CD 2.85Å; E392-K395 WeakPolarHBondContact OE2-CE 3.46Å; E392-K395 IonicContact OE2-NZ 3.5Å; E392-K395 PolarHBondContact OE2-NZ 2.86Å; I393-K395 PolarHBondContact O-N 2.87Å; K395-N398 PolarHBondContact O-N 3.04Å; K395-I399 HydrophobicContact CG-CD1 3.99Å; K395-I399 WeakPolarHBondContact O-CD1 3.27Å; K395-I399 VanDerWaalsContact O-CG1 3.26Å; K395-I399 WeakPolarHBondContact O-CG1 3.44Å; K395-I399 PolarHBondContact O-N 3.43Å
396	K	97.2	Very high	95.8	Very high	54 Å²	54	50.5 Å²	50.5	24%	0.235	24%	0.242	C	C	.	.	H	α-helix	trans	-68.6	-37.2	-179.9	-71.9	-83.1	174.5	171.4	0	112.6	I375 I377 E392 I393 I399 Y400	I375-K396 HydrophobicContact CG2-CB 3.72Å; I375-K396 HydrophobicContact CG2-CD 4.42Å; I375-K396 HydrophobicContact CG2-CG 4.38Å; I377-K396 HydrophobicContact CD1-CB 4.2Å; I377-K396 HydrophobicContact CD1-CG 4.09Å; I377-K396 HydrophobicContact CG1-CG 4.18Å; E392-K396 HydrophobicContact CG-CG 4.04Å; E392-K396 WeakPolarHBondContact O-CB 3.4Å; E392-K396 WeakPolarHBondContact O-CG 3.13Å; E392-K396 PolarHBondContact O-N 2.92Å; E392-K396 WeakPolarHBondContact OE1-CE 3.31Å; E392-K396 IonicContact OE1-NZ 2.72Å; I393-K396 PolarHBondContact O-N 3.24Å; K396-I399 PolarHBondContact O-N 3.38Å; K396-Y400 WeakPolarHBondContact O-CB 3.49Å; K396-Y400 PolarHBondContact O-N 2.59Å
397	L	96.3	Very high	95.7	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-61.9	-47	171.8	-73.9	167.3	0	0	0	111.2	P348 V350 I375 I393 I399 Y400 H401 I406	P348-L397 HydrophobicContact CB-CD2 4Å; P348-L397 HydrophobicContact CG-CD2 3.67Å; V350-L397 HydrophobicContact CG2-CD2 4.1Å; I375-L397 HydrophobicContact CD1-CD2 4.18Å; I393-L397 HydrophobicContact CG2-CD1 3.87Å; I393-L397 WeakPolarHBondContact O-CB 3.43Å; I393-L397 VanDerWaalsContact O-CG 3.31Å; I393-L397 WeakPolarHBondContact O-CG 3.36Å; I393-L397 PolarHBondContact O-N 3.37Å; L397-I399 VanDerWaalsContact C-N 3.31Å; L397-I399 PolarHBondContact O-N 2.73Å; L397-Y400 WeakPolarHBondContact O-CB 3.38Å; L397-Y400 PolarHBondContact O-N 3.15Å; L397-Y400 VanDerWaalsContact O-N 3.13Å; L397-H401 CarbonylContact O-C 3.6Å; L397-H401 PolarHBondContact O-N 2.99Å; L397-I406 HydrophobicContact CD1-CD1 4.35Å; L397-I406 HydrophobicContact CD1-CG1 3.8Å; L397-I406 HydrophobicContact CD2-CG1 4.22Å
398	N	94.8	Very high	95.7	Very high	72 Å²	72	50.3 Å²	50.3	39%	0.385	24%	0.238	S	C	.	.	H	α-helix	trans	-67	-29	178.4	-78.7	-62	0	0	0	113.7	E394 K395 G403	E394-N398 WeakPolarHBondContact O-CB 3.42Å; E394-N398 PolarHBondContact O-N 3.46Å; E394-N398 PolarHBondContact O-ND2 3.22Å; K395-N398 PolarHBondContact O-N 3.04Å; N398-G403 PolarHBondContact OD1-N 3.31Å
399	I	95.4	Very high	95.7	Very high	123 Å²	123	49.5 Å²	49.5	63%	0.631	23%	0.234	S	C	*	.	H	α-helix	trans	-70.7	-37.6	170.4	-70.3	163.5	0	0	0	111.4	K395 K396 L397	K395-I399 HydrophobicContact CG-CD1 3.99Å; K395-I399 WeakPolarHBondContact O-CD1 3.27Å; K395-I399 VanDerWaalsContact O-CG1 3.26Å; K395-I399 WeakPolarHBondContact O-CG1 3.44Å; K395-I399 PolarHBondContact O-N 3.43Å; K396-I399 PolarHBondContact O-N 3.38Å; L397-I399 VanDerWaalsContact C-N 3.31Å; L397-I399 PolarHBondContact O-N 2.73Å
400	Y	94.5	Very high	95.7	Very high	70 Å²	70	49.3 Å²	49.3	28%	0.275	23%	0.233	S	C	.	.	H	α-helix	trans	-69	-55.4	177.7	175.8	-104.5	0	0	0	111.9	F345 L346 P348 P372 S373 I375 K396 L397	F345-Y400 HydrophobicContact CE2-CE1 4.25Å; L346-Y400 PolarHBondContact O-OH 3.46Å; L346-Y400 VanDerWaalsContact O-OH 3.12Å; P348-Y400 HydrophobicContact CB-CD1 3.98Å; P348-Y400 HydrophobicContact CB-CE1 3.99Å; P348-Y400 HydrophobicContact CG-CD1 4.39Å; P348-Y400 HydrophobicContact CG-CE1 4.44Å; P372-Y400 VanDerWaalsContact O-CE2 3.28Å; P372-Y400 WeakPolarHBondContact O-CE2 2.94Å; S373-Y400 WeakPolarHBondContact CB-OH 3.4Å; I375-Y400 HydrophobicContact CD1-CD1 4.27Å; I375-Y400 HydrophobicContact CD1-CD2 4.36Å; I375-Y400 HydrophobicContact CD1-CG 3.84Å; K396-Y400 WeakPolarHBondContact O-CB 3.49Å; K396-Y400 PolarHBondContact O-N 2.59Å; L397-Y400 WeakPolarHBondContact O-CB 3.38Å; L397-Y400 PolarHBondContact O-N 3.15Å; L397-Y400 VanDerWaalsContact O-N 3.13Å
401	H	93.4	Very high	95.7	Very high	50 Å²	50	49 Å²	49	23%	0.231	23%	0.231	C	C	.	.	S	Bend	trans	-159.5	121.5	171.9	-170.6	-66.7	0	0	0	109	A339 T342 F345 L397 G403 A404	A339-H401 PolarHBondContact O-CE1 2.72Å; T342-H401 PolarHBondContact OG1-NE2 2.84Å; T342-H401 VanDerWaalsContact OG1-NE2 3.15Å; F345-H401 HydrophobicContact CD2-CB 4.42Å; F345-H401 AromaticContact CD2-CD2 3.88Å; F345-H401 HydrophobicContact CE2-CB 4.03Å; L397-H401 CarbonylContact O-C 3.6Å; L397-H401 PolarHBondContact O-N 2.99Å; H401-G403 PolarHBondContact O-N 2.84Å; H401-A404 HydrophobicContact CB-CB 3.99Å; H401-A404 VanDerWaalsContact O-CB 3.24Å; H401-A404 WeakPolarHBondContact O-CB 3.43Å; H401-A404 PolarHBondContact O-N 2.69Å
402	K	92.6	Very high	95.7	Very high	171 Å²	171	43.4 Å²	43.4	74%	0.743	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	130.9	179.9	-172	177.5	-179.8	-179.1	0	110.7	A404	K402-A404 VanDerWaalsContact C-N 3.29Å; K402-A404 PolarHBondContact O-N 3.38Å
403	G	90.5	Very high	95.6	Very high	28 Å²	28	42.4 Å²	42.4	29%	0.289	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-7.7	-179.3	0	0	0	0	0	116.3	N398 H401	N398-G403 PolarHBondContact OD1-N 3.31Å; H401-G403 PolarHBondContact O-N 2.84Å
404	A	92.6	Very high	95.4	Very high	5 Å²	5	46.3 Å²	46.3	4%	0.041	22%	0.219	C	C	.	.			trans	-66.9	151.7	178.4	0	0	0	0	0	112.7	F345 P348 H401 K402	F345-A404 HydrophobicContact CE2-CB 3.88Å; F345-A404 HydrophobicContact CZ-CB 3.92Å; P348-A404 HydrophobicContact CG-CB 4.26Å; H401-A404 HydrophobicContact CB-CB 3.99Å; H401-A404 VanDerWaalsContact O-CB 3.24Å; H401-A404 WeakPolarHBondContact O-CB 3.43Å; H401-A404 PolarHBondContact O-N 2.69Å; K402-A404 VanDerWaalsContact C-N 3.29Å; K402-A404 PolarHBondContact O-N 3.38Å
405	K	94.6	Very high	95.3	Very high	42 Å²	42	44.3 Å²	44.3	18%	0.183	22%	0.216	C	C	.	.			trans	-129.9	153	-175.1	-61.2	-67.1	178.8	169.4	0	111.2	E336 P348 W407 R448 L449	E336-K405 HydrophobicContact CG-CB 4.47Å; E336-K405 HydrophobicContact CG-CG 3.97Å; P348-K405 WeakPolarHBondContact CD-O 3.31Å; P348-K405 VanDerWaalsContact CG-O 3.25Å; P348-K405 WeakPolarHBondContact CG-O 3.37Å; K405-W407 PolarHBondContact O-N 3.06Å; K405-R448 PolarHBondContact NZ-O 3.4Å; K405-L449 WeakPolarHBondContact CA-O 3.49Å; K405-L449 WeakPolarHBondContact CB-O 3.38Å
406	I	96	Very high	95.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-68.5	125.3	-172.3	-50.6	175.2	0	0	0	110.4	V350 I393 L397 M409 L446 L449 M450 S451 N458	V350-I406 HydrophobicContact CB-CD1 4.34Å; V350-I406 HydrophobicContact CB-CG2 4.33Å; V350-I406 HydrophobicContact CG2-CD1 4.04Å; V350-I406 HydrophobicContact CG2-CG1 3.84Å; V350-I406 HydrophobicContact CG2-CG2 4.26Å; I393-I406 HydrophobicContact CG2-CD1 3.84Å; L397-I406 HydrophobicContact CD1-CD1 4.35Å; L397-I406 HydrophobicContact CD1-CG1 3.8Å; L397-I406 HydrophobicContact CD2-CG1 4.22Å; I406-M409 HydrophobicContact CG2-CB 4.15Å; I406-L446 HydrophobicContact CD1-CD1 4.19Å; I406-L449 HydrophobicContact CD1-CB 4.34Å; I406-L449 PolarHBondContact N-O 3.39Å; I406-M450 HydrophobicContact CB-CE 4Å; I406-M450 HydrophobicContact CB-SD 3.86Å; I406-M450 HydrophobicContact CD1-SD 4.12Å; I406-M450 HydrophobicContact CG1-SD 4.5Å; I406-M450 HydrophobicContact CG2-CE 3.86Å; I406-M450 HydrophobicContact CG2-SD 4.13Å; I406-S451 PolarHBondContact O-N 3.43Å; I406-N458 PolarHBondContact O-OD1 2.87Å
407	W	94.8	Very high	94.9	Very high	51 Å²	51	39.8 Å²	39.8	19%	0.193	21%	0.206	C	C	.	.	S	Bend	trans	-91.4	-49.9	170.1	179.8	36.5	0	0	0	112	P347 P348 K405 N454 E456 N458 V459	P347-W407 HydrophobicContact CB-CB 3.66Å; P347-W407 HydrophobicContact CB-CD2 4.04Å; P347-W407 HydrophobicContact CB-CE3 3.88Å; P347-W407 HydrophobicContact CB-CG 4.02Å; P347-W407 HydrophobicContact CG-CE3 4.45Å; P348-W407 PolarHBondContact O-N 3.43Å; P348-W407 VanDerWaalsContact O-N 3.1Å; K405-W407 PolarHBondContact O-N 3.06Å; W407-N454 WeakPolarHBondContact CB-ND2 3.46Å; W407-E456 VanDerWaalsContact CZ2-OE2 3.29Å; W407-E456 WeakPolarHBondContact CZ2-OE2 3.42Å; W407-N458 CarbonylContact O-C 3.58Å; W407-N458 WeakPolarHBondContact O-CA 3.46Å; W407-N458 VanDerWaalsContact O-CB 3.32Å; W407-N458 WeakPolarHBondContact O-CB 3.44Å; W407-V459 PolarHBondContact O-N 3.3Å; W407-V459 VanDerWaalsContact O-N 3.11Å
408	K	96.4	Very high	94.8	Very high	34 Å²	34	39.9 Å²	39.9	15%	0.148	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.7	178.8	-57.6	-170.4	179	177.6	0	109.6	K349 V350 E456 V459	K349-K408 CarbonylContact C-O 3.56Å; K349-K408 WeakPolarHBondContact CA-O 3.47Å; K349-K408 HydrophobicContact CG-CB 4.5Å; V350-K408 PolarHBondContact N-O 3.03Å; K408-E456 IonicContact NZ-OE2 3.91Å; K408-E456 PolarHBondContact NZ-OE2 3.02Å; K408-V459 CarbonylContact C-O 3.47Å; K408-V459 WeakPolarHBondContact CA-O 3.28Å; K408-V459 HydrophobicContact CD-CG2 4.5Å; K408-V459 HydrophobicContact CG-CB 4.3Å
409	M	97.9	Very high	94.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	142.9	178	-161.4	-175.3	-173.8	0	0	110.1	V350 L352 I393 I406 I411 L446 V459 I460 H461 Y508	V350-M409 HydrophobicContact CB-CG 4.41Å; V350-M409 CarbonylContact O-C 3.59Å; V350-M409 VanDerWaalsContact O-CA 3.26Å; V350-M409 WeakPolarHBondContact O-CA 3.21Å; L352-M409 HydrophobicContact CB-CE 3.89Å; L352-M409 HydrophobicContact CD2-CE 4.03Å; I393-M409 HydrophobicContact CD1-CE 4.02Å; I406-M409 HydrophobicContact CG2-CB 4.15Å; M409-I411 HydrophobicContact CE-CD1 4.41Å; M409-I411 HydrophobicContact CE-CG1 4.12Å; M409-I411 HydrophobicContact CG-CG1 4.45Å; M409-I411 HydrophobicContact SD-CD1 4.22Å; M409-I411 HydrophobicContact SD-CG1 4.09Å; M409-L446 HydrophobicContact CE-CD1 4.29Å; M409-L446 HydrophobicContact CE-CD2 4.4Å; M409-L446 HydrophobicContact SD-CD1 4.31Å; M409-L446 HydrophobicContact SD-CD2 4.08Å; M409-V459 PolarHBondContact N-O 3.09Å; M409-I460 HydrophobicContact CB-CB 4.46Å; M409-I460 HydrophobicContact CB-CG1 3.99Å; M409-I460 HydrophobicContact CB-CG2 4.33Å; M409-I460 HydrophobicContact SD-CD1 4.31Å; M409-H461 PolarHBondContact O-N 2.79Å; M409-Y508 VanDerWaalsContact C-OH 3.29Å; M409-Y508 PolarHBondContact O-OH 3.35Å
410	L	98	Very high	94.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.6	166.2	-179.9	70	0	0	0	108.9	V350 M351 L352 H461 M463 Y508 F509	V350-L410 PolarHBondContact O-N 3.22Å; M351-L410 CarbonylContact C-O 3.5Å; M351-L410 WeakPolarHBondContact CA-O 3.27Å; M351-L410 HydrophobicContact CE-CD2 4.03Å; M351-L410 HydrophobicContact CG-CB 4.12Å; M351-L410 HydrophobicContact CG-CD2 4.25Å; L352-L410 PolarHBondContact N-O 2.81Å; L410-H461 CarbonylContact C-O 3.52Å; L410-H461 WeakPolarHBondContact CA-O 3.39Å; L410-H461 HydrophobicContact CD1-CB 3.72Å; L410-M463 HydrophobicContact CD1-CB 3.85Å; L410-M463 HydrophobicContact CD2-CE 4.19Å; L410-Y508 HydrophobicContact CB-CD1 4.16Å; L410-Y508 HydrophobicContact CB-CD2 4.21Å; L410-Y508 HydrophobicContact CB-CE1 3.83Å; L410-Y508 HydrophobicContact CB-CE2 3.92Å; L410-Y508 HydrophobicContact CB-CG 4.34Å; L410-Y508 HydrophobicContact CD1-CD2 4.43Å; L410-Y508 HydrophobicContact CD1-CE2 4.3Å; L410-Y508 HydrophobicContact CD2-CD1 4.46Å; L410-Y508 HydrophobicContact CD2-CD2 4.02Å; L410-Y508 HydrophobicContact CD2-CG 4.01Å; L410-Y508 HydrophobicContact CG-CD2 4.46Å; L410-Y508 HydrophobicContact CG-CE2 4.48Å; L410-F509 HydrophobicContact CD2-CE2 3.68Å; L410-F509 HydrophobicContact CD2-CZ 3.76Å
411	I	97.8	Very high	94.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	104.5	168.7	-54.9	179	0	0	0	107.6	M409 C413 L422 W443 I460 H461 I462 M463	M409-I411 HydrophobicContact CE-CD1 4.41Å; M409-I411 HydrophobicContact CE-CG1 4.12Å; M409-I411 HydrophobicContact CG-CG1 4.45Å; M409-I411 HydrophobicContact SD-CD1 4.22Å; M409-I411 HydrophobicContact SD-CG1 4.09Å; I411-C413 HydrophobicContact CG2-CB 4.26Å; I411-L422 HydrophobicContact CG2-CD2 3.92Å; I411-W443 HydrophobicContact CD1-CH2 3.86Å; I411-W443 HydrophobicContact CD1-CZ3 4.3Å; I411-I460 HydrophobicContact CD1-CG2 3.94Å; I411-I460 HydrophobicContact CG1-CG2 4.19Å; I411-H461 PolarHBondContact N-O 2.96Å; I411-I462 HydrophobicContact CB-CD1 3.87Å; I411-I462 HydrophobicContact CD1-CD1 3.97Å; I411-I462 HydrophobicContact CG1-CD1 4.2Å; I411-M463 PolarHBondContact O-N 3.13Å
412	F	96.5	Very high	94.9	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	96.6	176.2	-163.4	175.7	0	0	0	109	L352 S354 V357 I363 M463 F509 W517	L352-F412 PolarHBondContact O-N 2.94Å; S354-F412 WeakPolarHBondContact CB-O 3.19Å; S354-F412 PolarHBondContact N-O 3.3Å; V357-F412 HydrophobicContact CB-CE2 4.48Å; V357-F412 HydrophobicContact CG1-CD1 4.26Å; V357-F412 HydrophobicContact CG1-CD2 4.08Å; V357-F412 HydrophobicContact CG1-CE1 3.81Å; V357-F412 HydrophobicContact CG1-CE2 3.59Å; V357-F412 HydrophobicContact CG1-CG 4.4Å; V357-F412 HydrophobicContact CG1-CZ 3.46Å; V357-F412 VanDerWaalsContact CG1-CZ 3.46Å; V357-F412 HydrophobicContact CG2-CB 4.42Å; V357-F412 HydrophobicContact CG2-CD1 4.43Å; V357-F412 HydrophobicContact CG2-CD2 3.62Å; V357-F412 HydrophobicContact CG2-CE2 3.96Å; V357-F412 HydrophobicContact CG2-CG 3.89Å; V357-F412 VanDerWaalsContact CG2-O 3.27Å; V357-F412 WeakPolarHBondContact CG2-O 3.44Å; I363-F412 HydrophobicContact CD1-CD1 3.79Å; I363-F412 HydrophobicContact CD1-CE1 3.65Å; F412-M463 HydrophobicContact CB-CE 4.47Å; F412-M463 HydrophobicContact CD1-CE 3.37Å; F412-M463 HydrophobicContact CD2-CB 4.46Å; F412-M463 HydrophobicContact CD2-CE 4Å; F412-M463 HydrophobicContact CE1-CE 3.36Å; F412-M463 HydrophobicContact CE2-CE 3.99Å; F412-M463 HydrophobicContact CG-CE 3.7Å; F412-M463 HydrophobicContact CZ-CE 3.68Å; F412-F509 HydrophobicContact CD1-CZ 4.4Å; F412-W517 AromaticContact CE1-CH2 3.74Å; F412-W517 HydrophobicContact CE1-CH2 3.74Å; F412-W517 HydrophobicContact CE1-CZ3 4.07Å; F412-W517 AromaticContact CZ-CH2 3.6Å; F412-W517 HydrophobicContact CZ-CH2 3.6Å; F412-W517 AromaticContact CZ-CZ3 3.94Å; F412-W517 HydrophobicContact CZ-CZ3 3.94Å
413	C	96.2	Very high	95.1	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.007	13%	0.13	C	C	.	.			trans	-135.9	169.2	-175.9	65.5	0	0	0	0	111.9	I411 M463 G464	I411-C413 HydrophobicContact CG2-CB 4.26Å; C413-M463 PolarHBondContact N-O 2.94Å; C413-G464 CarbonylContact O-C 3.59Å
414	Q	94	Very high	95.2	Very high	83 Å²	83	26.7 Å²	26.7	39%	0.388	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	156.1	166.8	-67.7	-162.7	7	0	0	110.5	K356 Y421	K356-Q414 HydrophobicContact CB-CG 3.96Å; K356-Q414 PolarHBondContact O-NE2 3.16Å; Q414-Y421 HydrophobicContact CB-CD2 4.26Å; Q414-Y421 WeakPolarHBondContact O-CB 3.25Å; Q414-Y421 PolarHBondContact O-N 2.98Å
415	G	94	Very high	95.1	Very high	25 Å²	25	33.2 Å²	33.2	26%	0.258	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	-164.8	-179.4	0	0	0	0	0	111.4	H419	G415-H419 CarbonylContact C-O 3.34Å; G415-H419 WeakPolarHBondContact CA-O 3.48Å
416	G	92.9	Very high	95	Very high	9 Å²	9	33.8 Å²	33.8	9%	0.093	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	-171.3	173	0	0	0	0	0	111.2	G418 H419 I467	G416-G418 PolarHBondContact O-N 3.23Å; G416-G418 VanDerWaalsContact O-N 3.11Å; G416-H419 VanDerWaalsContact CA-CE1 3.47Å; G416-H419 WeakPolarHBondContact CA-CE1 3.3Å; G416-H419 PolarHBondContact N-O 3.32Å; G416-H419 PolarHBondContact O-N 2.82Å; G416-I467 WeakPolarHBondContact O-CA 3.47Å
417	P	93.8	Very high	94.8	Very high	63 Å²	63	35.5 Å²	35.5	41%	0.409	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	120.6	179.4	-27	36	0	0	0	111.4	H419 Y466 N470	P417-H419 PolarHBondContact O-N 2.95Å; P417-H419 PolarHBondContact O-ND1 2.94Å; P417-Y466 WeakPolarHBondContact CA-O 3.29Å; P417-N470 HydrophobicContact CB-CB 3.65Å
418	G	94.4	Very high	94.9	Very high	6 Å²	6	33.1 Å²	33.1	6%	0.062	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	11.6	-178.5	0	0	0	0	0	118	G416 I467	G416-G418 PolarHBondContact O-N 3.23Å; G416-G418 VanDerWaalsContact O-N 3.11Å; G418-I467 PolarHBondContact N-O 3.47Å
419	H	94.9	Very high	94.9	Very high	46 Å²	46	33 Å²	33	21%	0.213	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	148.3	-178.4	65.2	-80.2	0	0	0	115.8	G415 G416 P417 Y421 V427 A428 T429	G415-H419 CarbonylContact C-O 3.34Å; G415-H419 WeakPolarHBondContact CA-O 3.48Å; G416-H419 VanDerWaalsContact CA-CE1 3.47Å; G416-H419 WeakPolarHBondContact CA-CE1 3.3Å; G416-H419 PolarHBondContact N-O 3.32Å; G416-H419 PolarHBondContact O-N 2.82Å; P417-H419 PolarHBondContact O-N 2.95Å; P417-H419 PolarHBondContact O-ND1 2.94Å; H419-Y421 AromaticContact CD2-CE2 3.45Å; H419-Y421 VanDerWaalsContact CD2-CE2 3.45Å; H419-Y421 WeakPolarHBondContact CD2-CE2 3.41Å; H419-Y421 AromaticContact CD2-CZ 3.42Å; H419-Y421 VanDerWaalsContact CD2-CZ 3.42Å; H419-Y421 PolarHBondContact CD2-OH 3.45Å; H419-Y421 AromaticContact NE2-CE2 3.5Å; H419-Y421 AromaticContact NE2-CZ 3.58Å; H419-Y421 PolarHBondContact NE2-OH 2.89Å; H419-V427 HydrophobicContact CB-CG1 4.18Å; H419-A428 CarbonylContact C-O 3.46Å; H419-A428 VanDerWaalsContact CA-O 3.25Å; H419-A428 WeakPolarHBondContact CA-O 3.41Å; H419-T429 HydrophobicContact CB-CG2 3.87Å
420	L	96.1	Very high	94.7	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.1	175.6	-51.9	177.9	0	0	0	111.6	V427 A428 I462 C465 I467	L420-V427 CarbonylContact O-C 3.52Å; L420-V427 WeakPolarHBondContact O-CA 3.29Å; L420-A428 HydrophobicContact CB-CB 4.33Å; L420-A428 PolarHBondContact N-O 2.8Å; L420-A428 PolarHBondContact O-N 3.31Å; L420-I462 HydrophobicContact CD1-CD1 4.31Å; L420-I462 HydrophobicContact CD1-CG2 4.09Å; L420-I462 HydrophobicContact CD2-CG2 3.65Å; L420-C465 WeakPolarHBondContact CD2-SG 3.3Å; L420-I467 HydrophobicContact CD1-CD1 4.22Å; L420-I467 HydrophobicContact CD2-CB 4.3Å; L420-I467 HydrophobicContact CD2-CD1 3.76Å; L420-I467 HydrophobicContact CG-CD1 3.88Å
421	Y	95	Very high	94.4	Very high	88 Å²	88	37.9 Å²	37.9	35%	0.345	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	77.2	172.6	-61.4	-72.6	0	0	0	109.3	H381 Q414 H419 V427	H381-Y421 PolarHBondContact CE1-O 2.82Å; H381-Y421 PolarHBondContact ND1-O 2.86Å; Q414-Y421 HydrophobicContact CB-CD2 4.26Å; Q414-Y421 WeakPolarHBondContact O-CB 3.25Å; Q414-Y421 PolarHBondContact O-N 2.98Å; H419-Y421 AromaticContact CD2-CE2 3.45Å; H419-Y421 VanDerWaalsContact CD2-CE2 3.45Å; H419-Y421 WeakPolarHBondContact CD2-CE2 3.41Å; H419-Y421 AromaticContact CD2-CZ 3.42Å; H419-Y421 VanDerWaalsContact CD2-CZ 3.42Å; H419-Y421 PolarHBondContact CD2-OH 3.45Å; H419-Y421 AromaticContact NE2-CE2 3.5Å; H419-Y421 AromaticContact NE2-CZ 3.58Å; H419-Y421 PolarHBondContact NE2-OH 2.89Å; Y421-V427 HydrophobicContact CD1-CB 4.39Å; Y421-V427 HydrophobicContact CD1-CG1 3.97Å; Y421-V427 HydrophobicContact CD1-CG2 3.81Å; Y421-V427 HydrophobicContact CE1-CB 4.33Å; Y421-V427 HydrophobicContact CE1-CG1 3.69Å; Y421-V427 HydrophobicContact CE1-CG2 3.69Å
422	L	94.9	Very high	94.3	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	-64.3	176.7	-64	178.1	0	0	0	109.8	Y379 H381 F386 I411 A428 F442 W443	Y379-L422 WeakPolarHBondContact CE2-O 3.47Å; Y379-L422 PolarHBondContact OH-O 2.85Å; H381-L422 PolarHBondContact ND1-O 3.34Å; F386-L422 HydrophobicContact CE1-CB 4.27Å; F386-L422 HydrophobicContact CE1-CD1 4.08Å; I411-L422 HydrophobicContact CG2-CD2 3.92Å; L422-A428 HydrophobicContact CD1-CB 4.38Å; L422-F442 HydrophobicContact CD1-CE1 4.41Å; L422-W443 HydrophobicContact CD1-CZ2 3.9Å
423	L	96.1	Very high	94.2	Very high	10 Å²	10	41.5 Å²	41.5	5%	0.052	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	159.6	177.5	-68.3	173.6	0	0	0	110.9	Y379 H381 A384 F386 I389 N425 K426	Y379-L423 HydrophobicContact CD2-CD2 4.01Å; Y379-L423 HydrophobicContact CE2-CD2 3.81Å; H381-L423 PolarHBondContact CE1-O 2.92Å; A384-L423 HydrophobicContact CB-CD2 4.18Å; A384-L423 WeakPolarHBondContact O-CD1 3.45Å; A384-L423 VanDerWaalsContact O-CD2 3.25Å; A384-L423 WeakPolarHBondContact O-CD2 3.44Å; F386-L423 HydrophobicContact CD1-CD1 3.73Å; F386-L423 HydrophobicContact CD2-CD1 4.22Å; F386-L423 HydrophobicContact CE1-CD1 3.82Å; F386-L423 HydrophobicContact CE1-CG 4.28Å; F386-L423 HydrophobicContact CE2-CD1 4.3Å; F386-L423 HydrophobicContact CG-CD1 3.94Å; F386-L423 HydrophobicContact CZ-CD1 4.1Å; I389-L423 HydrophobicContact CD1-CD1 4.45Å; I389-L423 HydrophobicContact CD1-CD2 4.08Å; I389-L423 HydrophobicContact CD1-CG 4.42Å; L423-N425 PolarHBondContact O-N 2.87Å; L423-K426 HydrophobicContact CB-CB 4.13Å; L423-K426 CarbonylContact O-C 3.54Å; L423-K426 PolarHBondContact O-N 2.81Å; L423-K426 VanDerWaalsContact O-N 3.07Å
424	K	92.8	Very high	94	Very high	88 Å²	88	46 Å²	46	38%	0.383	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	134	175.5	176.9	174	171.1	-178.6	0	109.9	H381 E382 K426	H381-K424 PolarHBondContact CE1-N 2.99Å; H381-K424 PolarHBondContact NE2-N 3.45Å; H381-K424 WeakPolarHBondContact O-CB 3.44Å; H381-K424 PolarHBondContact O-N 3.22Å; E382-K424 HydrophobicContact CB-CD 3.8Å; E382-K424 HydrophobicContact CG-CD 3.86Å; E382-K424 WeakPolarHBondContact OE2-CE 3.21Å; E382-K424 IonicContact OE2-NZ 2.58Å; E382-K424 PolarHBondContact OE2-NZ 2.93Å; K424-K426 PolarHBondContact O-N 3.38Å
425	N	90.3	Very high	94	Very high	142 Å²	142	49.6 Å²	49.6	76%	0.759	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	-17.1	-171.7	-50.7	-29.2	0	0	0	116.1	L423 V427	L423-N425 PolarHBondContact O-N 2.87Å; N425-V427 PolarHBondContact O-N 3.11Å
426	K	91.8	Very high	94	Very high	53 Å²	53	50.1 Å²	50.1	23%	0.23	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	79.2	179.3	-68.1	-71.7	173.7	170.5	0	111.8	F386 L423 K424 E436 D438	F386-K426 HydrophobicContact CE2-CB 4.21Å; F386-K426 HydrophobicContact CE2-CD 4.32Å; F386-K426 HydrophobicContact CE2-CG 4.12Å; F386-K426 HydrophobicContact CZ-CB 4.08Å; F386-K426 HydrophobicContact CZ-CG 4.49Å; L423-K426 HydrophobicContact CB-CB 4.13Å; L423-K426 CarbonylContact O-C 3.54Å; L423-K426 PolarHBondContact O-N 2.81Å; L423-K426 VanDerWaalsContact O-N 3.07Å; K424-K426 PolarHBondContact O-N 3.38Å; K426-E436 WeakPolarHBondContact CD-OE2 3.33Å; K426-E436 IonicContact NZ-OE2 3.69Å; K426-E436 PolarHBondContact NZ-OE2 3.2Å; K426-D438 VanDerWaalsContact CD-OD2 3.22Å; K426-D438 WeakPolarHBondContact CD-OD2 3.34Å; K426-D438 WeakPolarHBondContact CE-OD2 3.42Å; K426-D438 IonicContact NZ-OD1 3.62Å; K426-D438 PolarHBondContact NZ-OD1 3.03Å; K426-D438 IonicContact NZ-OD2 2.7Å; K426-D438 PolarHBondContact NZ-OD2 3.35Å
427	V	93.2	Very high	94.1	Very high	36 Å²	36	57.6 Å²	57.6	22%	0.218	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	106.7	177.8	-167.4	0	0	0	0	109.7	H419 L420 Y421 N425 T429 K432	H419-V427 HydrophobicContact CB-CG1 4.18Å; L420-V427 CarbonylContact O-C 3.52Å; L420-V427 WeakPolarHBondContact O-CA 3.29Å; Y421-V427 HydrophobicContact CD1-CB 4.39Å; Y421-V427 HydrophobicContact CD1-CG1 3.97Å; Y421-V427 HydrophobicContact CD1-CG2 3.81Å; Y421-V427 HydrophobicContact CE1-CB 4.33Å; Y421-V427 HydrophobicContact CE1-CG1 3.69Å; Y421-V427 HydrophobicContact CE1-CG2 3.69Å; N425-V427 PolarHBondContact O-N 3.11Å; V427-T429 HydrophobicContact CG1-CG2 4.06Å; V427-T429 PolarHBondContact O-N 3.42Å; V427-K432 WeakPolarHBondContact O-CD 3.49Å
428	A	95.7	Very high	94.1	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.008	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	119.2	175.4	0	0	0	0	0	109.7	H419 L420 L422 M439	H419-A428 CarbonylContact C-O 3.46Å; H419-A428 VanDerWaalsContact CA-O 3.25Å; H419-A428 WeakPolarHBondContact CA-O 3.41Å; L420-A428 HydrophobicContact CB-CB 4.33Å; L420-A428 PolarHBondContact N-O 2.8Å; L420-A428 PolarHBondContact O-N 3.31Å; L422-A428 HydrophobicContact CD1-CB 4.38Å; A428-M439 HydrophobicContact CB-SD 4.01Å
429	T	95.7	Very high	94.1	Very high	32 Å²	32	56.9 Å²	56.9	20%	0.196	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	157.5	173.1	77.5	0	0	0	0	108.3	H419 V427 A431 K432 V433	H419-T429 HydrophobicContact CB-CG2 3.87Å; V427-T429 HydrophobicContact CG1-CG2 4.06Å; V427-T429 PolarHBondContact O-N 3.42Å; T429-A431 PolarHBondContact O-N 3.38Å; T429-A431 VanDerWaalsContact O-N 3.13Å; T429-K432 HydrophobicContact CG2-CD 4.35Å; T429-K432 PolarHBondContact O-N 3.45Å; T429-K432 PolarHBondContact OG1-N 2.84Å; T429-V433 PolarHBondContact O-N 3.09Å
430	F	93.8	Very high	94.1	Very high	62 Å²	62	56.6 Å²	56.6	27%	0.272	27%	0.274	S	S	.	.	H	α-helix	trans	-51.4	-41.1	-178.5	76.5	-85.3	0	0	0	112.4	N472 K475 L476 N479	F430-N472 HydrophobicContact CD1-CB 3.89Å; F430-N472 HydrophobicContact CE1-CB 4Å; F430-K475 HydrophobicContact CB-CB 3.92Å; F430-K475 HydrophobicContact CD2-CB 4.42Å; F430-K475 HydrophobicContact CD2-CD 4.48Å; F430-K475 HydrophobicContact CG-CB 4.15Å; F430-L476 HydrophobicContact CB-CB 4.08Å; F430-N479 PolarHBondContact O-ND2 2.89Å
431	A	93.1	Very high	94.1	Very high	42 Å²	42	61 Å²	61	35%	0.347	29%	0.294	S	S	.	.	H	α-helix	trans	-82.3	-8.6	-178.6	0	0	0	0	0	115.2	T429 K435	T429-A431 PolarHBondContact O-N 3.38Å; T429-A431 VanDerWaalsContact O-N 3.13Å; A431-K435 VanDerWaalsContact O-CD 3.32Å; A431-K435 WeakPolarHBondContact O-CD 3.42Å; A431-K435 WeakPolarHBondContact O-CG 3.3Å
432	K	94.8	Very high	94.2	Very high	79 Å²	79	56.9 Å²	56.9	34%	0.343	28%	0.278	S	S	.	.	H	α-helix	trans	-103.1	-36.4	177.2	-82.8	179.3	157.3	-86.6	0	112.8	V427 T429 E434 K435 E436 M439	V427-K432 WeakPolarHBondContact O-CD 3.49Å; T429-K432 HydrophobicContact CG2-CD 4.35Å; T429-K432 PolarHBondContact O-N 3.45Å; T429-K432 PolarHBondContact OG1-N 2.84Å; K432-E434 PolarHBondContact O-N 2.94Å; K432-K435 PolarHBondContact O-N 2.93Å; K432-E436 VanDerWaalsContact CD-OE1 3.27Å; K432-E436 WeakPolarHBondContact CD-OE1 3.46Å; K432-E436 WeakPolarHBondContact CE-OE1 3.08Å; K432-E436 VanDerWaalsContact CG-OE1 3.29Å; K432-E436 WeakPolarHBondContact CG-OE1 3.41Å; K432-E436 IonicContact NZ-OE1 2.68Å; K432-E436 PolarHBondContact NZ-OE1 3.41Å; K432-E436 IonicContact NZ-OE2 3.44Å; K432-E436 PolarHBondContact O-N 3.45Å; K432-M439 HydrophobicContact CB-CE 3.9Å
433	V	94.7	Very high	94.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66.1	-23.5	-173.8	79	0	0	0	0	113	T429 M439 I440 L476 N479 L480 L483	T429-V433 PolarHBondContact O-N 3.09Å; V433-M439 HydrophobicContact CG2-CB 4.49Å; V433-I440 VanDerWaalsContact O-CG1 3.25Å; V433-I440 WeakPolarHBondContact O-CG1 3.32Å; V433-L476 HydrophobicContact CB-CD1 4.25Å; V433-L476 HydrophobicContact CG1-CD1 3.91Å; V433-N479 HydrophobicContact CG1-CB 3.91Å; V433-L480 HydrophobicContact CG2-CD2 3.86Å; V433-L483 HydrophobicContact CB-CD1 4.37Å; V433-L483 HydrophobicContact CG1-CD1 4.04Å; V433-L483 HydrophobicContact CG2-CD1 3.77Å; V433-L483 WeakPolarHBondContact O-CD1 3.47Å
434	E	92	Very high	94.1	Very high	95 Å²	95	62 Å²	62	44%	0.444	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	9.2	174.4	-58.3	176.5	139	0	0	113.3	K432 N479	K432-E434 PolarHBondContact O-N 2.94Å; E434-N479 VanDerWaalsContact CD-CG 3.4Å; E434-N479 HydrophobicContact CG-CB 4Å; E434-N479 WeakPolarHBondContact OE1-CB 3.27Å; E434-N479 PolarHBondContact OE1-ND2 3.42Å; E434-N479 VanDerWaalsContact OE1-ND2 3.16Å; E434-N479 PolarHBondContact OE2-ND2 3.22Å
435	K	93.2	Very high	94.2	Very high	159 Å²	159	61.2 Å²	61.2	69%	0.691	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136	-24.3	-173	-61	-164.3	-175.9	-167.4	0	115.7	A431 K432	A431-K435 VanDerWaalsContact O-CD 3.32Å; A431-K435 WeakPolarHBondContact O-CD 3.42Å; A431-K435 WeakPolarHBondContact O-CG 3.3Å; K432-K435 PolarHBondContact O-N 2.93Å
436	E	94.6	Very high	94.5	Very high	37 Å²	37	54.5 Å²	54.5	17%	0.173	26%	0.259	C	S	.	.			trans	-95.9	111.1	174.9	-70.4	-179.6	-118.9	0	0	109	K426 K432 D438 M439 I440	K426-E436 WeakPolarHBondContact CD-OE2 3.33Å; K426-E436 IonicContact NZ-OE2 3.69Å; K426-E436 PolarHBondContact NZ-OE2 3.2Å; K432-E436 VanDerWaalsContact CD-OE1 3.27Å; K432-E436 WeakPolarHBondContact CD-OE1 3.46Å; K432-E436 WeakPolarHBondContact CE-OE1 3.08Å; K432-E436 VanDerWaalsContact CG-OE1 3.29Å; K432-E436 WeakPolarHBondContact CG-OE1 3.41Å; K432-E436 IonicContact NZ-OE1 2.68Å; K432-E436 PolarHBondContact NZ-OE1 3.41Å; K432-E436 IonicContact NZ-OE2 3.44Å; K432-E436 PolarHBondContact O-N 3.45Å; E436-D438 VanDerWaalsContact C-N 3.25Å; E436-D438 PolarHBondContact O-N 3.32Å; E436-M439 HydrophobicContact CB-CB 4.48Å; E436-M439 HydrophobicContact CB-CE 3.68Å; E436-M439 VanDerWaalsContact CD-CE 3.45Å; E436-M439 HydrophobicContact CG-CE 4.02Å; E436-M439 PolarHBondContact O-N 3.23Å; E436-M439 WeakPolarHBondContact OE1-CE 3.34Å; E436-I440 PolarHBondContact O-N 3.32Å
437	E	95.1	Very high	94.6	Very high	165 Å²	165	52.2 Å²	52.2	77%	0.771	25%	0.25	S	C	*	.	H	α-helix	trans	-55	-36.5	-171.9	-67.5	165	177.1	0	0	113.3	I440 H441	E437-I440 PolarHBondContact O-N 2.72Å; E437-H441 WeakPolarHBondContact O-CB 3.33Å; E437-H441 PolarHBondContact O-N 2.9Å
438	D	94	Very high	94.6	Very high	55 Å²	55	52.5 Å²	52.5	29%	0.294	25%	0.247	S	C	.	.	H	α-helix	trans	-69.2	-33.8	176.9	66	-48.3	0	0	0	113	F386 K426 E436 F442	F386-D438 HydrophobicContact CD2-CB 4.28Å; F386-D438 WeakPolarHBondContact CE2-OD2 3.29Å; K426-D438 VanDerWaalsContact CD-OD2 3.22Å; K426-D438 WeakPolarHBondContact CD-OD2 3.34Å; K426-D438 WeakPolarHBondContact CE-OD2 3.42Å; K426-D438 IonicContact NZ-OD1 3.62Å; K426-D438 PolarHBondContact NZ-OD1 3.03Å; K426-D438 IonicContact NZ-OD2 2.7Å; K426-D438 PolarHBondContact NZ-OD2 3.35Å; E436-D438 VanDerWaalsContact C-N 3.25Å; E436-D438 PolarHBondContact O-N 3.32Å; D438-F442 VanDerWaalsContact O-CB 3.3Å; D438-F442 WeakPolarHBondContact O-CB 3.44Å; D438-F442 PolarHBondContact O-N 3.08Å
439	M	94.9	Very high	94.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-71.9	-39.1	170.3	-77.8	-167.8	-74.9	0	0	111.3	F386 A428 K432 V433 E436 F442 W443	F386-M439 HydrophobicContact CE2-CG 3.73Å; F386-M439 HydrophobicContact CZ-CG 3.72Å; A428-M439 HydrophobicContact CB-SD 4.01Å; K432-M439 HydrophobicContact CB-CE 3.9Å; V433-M439 HydrophobicContact CG2-CB 4.49Å; E436-M439 HydrophobicContact CB-CB 4.48Å; E436-M439 HydrophobicContact CB-CE 3.68Å; E436-M439 VanDerWaalsContact CD-CE 3.45Å; E436-M439 HydrophobicContact CG-CE 4.02Å; E436-M439 PolarHBondContact O-N 3.23Å; E436-M439 WeakPolarHBondContact OE1-CE 3.34Å; M439-F442 PolarHBondContact O-N 2.7Å; M439-W443 PolarHBondContact O-N 3.36Å; M439-W443 VanDerWaalsContact O-N 3.1Å
440	I	95	Very high	94.5	Very high	39 Å²	39	51.1 Å²	51.1	20%	0.2	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-47.2	174.6	-64.1	169.5	0	0	0	110.1	V433 E436 E437 W443 K444 L483	V433-I440 VanDerWaalsContact O-CG1 3.25Å; V433-I440 WeakPolarHBondContact O-CG1 3.32Å; E436-I440 PolarHBondContact O-N 3.32Å; E437-I440 PolarHBondContact O-N 2.72Å; I440-W443 PolarHBondContact O-N 2.6Å; I440-K444 HydrophobicContact CG2-CD 4.13Å; I440-K444 WeakPolarHBondContact O-CB 3.42Å; I440-K444 WeakPolarHBondContact O-CG 3.11Å; I440-K444 PolarHBondContact O-N 3.41Å; I440-L483 HydrophobicContact CG1-CD2 4.34Å; I440-L483 HydrophobicContact CG2-CD2 4.13Å
441	H	95.3	Very high	94.5	Very high	93 Å²	93	48.5 Å²	48.5	43%	0.431	23%	0.227	S	C	.	.	H	α-helix	trans	-60.7	-49.3	177.5	-167.9	94	0	0	0	111	E387 E437 W443 K444 R445	E387-H441 IonicContact OE1-CD2 2.91Å; E437-H441 WeakPolarHBondContact O-CB 3.33Å; E437-H441 PolarHBondContact O-N 2.9Å; H441-W443 PolarHBondContact O-N 3.22Å; H441-K444 PolarHBondContact O-N 3.47Å; H441-R445 WeakPolarHBondContact O-CB 3.49Å; H441-R445 PolarHBondContact O-N 2.74Å
442	F	96.7	Very high	94.3	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.009	21%	0.214	C	C	.	.	H	α-helix	trans	-53.7	-50.4	178	173.9	-104.2	0	0	0	112.7	F386 I389 L390 L422 D438 M439 R445 L446	F386-F442 HydrophobicContact CB-CB 3.97Å; F386-F442 HydrophobicContact CB-CD2 3.74Å; F386-F442 HydrophobicContact CB-CG 4.11Å; F386-F442 HydrophobicContact CD1-CB 3.89Å; F386-F442 AromaticContact CD1-CD1 3.95Å; F386-F442 HydrophobicContact CD1-CD1 3.95Å; F386-F442 AromaticContact CD1-CD2 3.47Å; F386-F442 HydrophobicContact CD1-CD2 3.47Å; F386-F442 VanDerWaalsContact CD1-CD2 3.47Å; F386-F442 HydrophobicContact CD1-CE1 4.38Å; F386-F442 AromaticContact CD1-CE2 3.94Å; F386-F442 HydrophobicContact CD1-CE2 3.94Å; F386-F442 AromaticContact CD1-CG 3.46Å; F386-F442 HydrophobicContact CD1-CG 3.46Å; F386-F442 VanDerWaalsContact CD1-CG 3.46Å; F386-F442 HydrophobicContact CD1-CZ 4.37Å; F386-F442 HydrophobicContact CD2-CB 4.34Å; F386-F442 HydrophobicContact CE1-CB 4.47Å; F386-F442 HydrophobicContact CE1-CD1 4.08Å; F386-F442 HydrophobicContact CE1-CD2 4.38Å; F386-F442 HydrophobicContact CE1-CE1 4.45Å; F386-F442 HydrophobicContact CE1-CG 4.04Å; F386-F442 HydrophobicContact CG-CB 3.82Å; F386-F442 AromaticContact CG-CD2 3.91Å; F386-F442 HydrophobicContact CG-CD2 3.91Å; F386-F442 AromaticContact CG-CG 3.89Å; F386-F442 HydrophobicContact CG-CG 3.89Å; I389-F442 HydrophobicContact CG2-CE2 4.02Å; I389-F442 HydrophobicContact CG2-CZ 4.49Å; L390-F442 HydrophobicContact CD1-CD2 3.85Å; L390-F442 HydrophobicContact CD2-CD2 4.15Å; L390-F442 HydrophobicContact CD2-CE2 4.11Å; L390-F442 HydrophobicContact CG-CD2 3.87Å; L390-F442 HydrophobicContact CG-CE2 4.03Å; L422-F442 HydrophobicContact CD1-CE1 4.41Å; D438-F442 VanDerWaalsContact O-CB 3.3Å; D438-F442 WeakPolarHBondContact O-CB 3.44Å; D438-F442 PolarHBondContact O-N 3.08Å; M439-F442 PolarHBondContact O-N 2.7Å; F442-R445 PolarHBondContact O-N 3.25Å; F442-L446 HydrophobicContact CE1-CD2 4.18Å; F442-L446 HydrophobicContact CZ-CD2 4.11Å; F442-L446 WeakPolarHBondContact O-CB 3.1Å; F442-L446 PolarHBondContact O-N 3.46Å
443	W	96.2	Very high	93.9	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.9	-34.7	-179.1	-68	113.6	0	0	0	112.8	I411 L422 M439 I440 H441 L446 S447 I460 L480 L483 M484 F491	I411-W443 HydrophobicContact CD1-CH2 3.86Å; I411-W443 HydrophobicContact CD1-CZ3 4.3Å; L422-W443 HydrophobicContact CD1-CZ2 3.9Å; M439-W443 PolarHBondContact O-N 3.36Å; M439-W443 VanDerWaalsContact O-N 3.1Å; I440-W443 PolarHBondContact O-N 2.6Å; H441-W443 PolarHBondContact O-N 3.22Å; W443-L446 HydrophobicContact CE3-CD2 3.87Å; W443-L446 HydrophobicContact CZ3-CD2 3.83Å; W443-S447 WeakPolarHBondContact O-CB 3.37Å; W443-S447 PolarHBondContact O-N 2.9Å; W443-I460 HydrophobicContact CZ3-CD1 4.48Å; W443-L480 HydrophobicContact CD2-CD2 3.46Å; W443-L480 VanDerWaalsContact CD2-CD2 3.46Å; W443-L480 HydrophobicContact CE3-CD2 4Å; W443-L480 HydrophobicContact CG-CD2 3.83Å; W443-L480 HydrophobicContact CH2-CD2 4.07Å; W443-L480 HydrophobicContact CZ2-CD1 4.49Å; W443-L480 HydrophobicContact CZ2-CD2 3.53Å; W443-L480 HydrophobicContact CZ3-CD2 4.28Å; W443-L483 HydrophobicContact CB-CB 4.31Å; W443-M484 HydrophobicContact CB-CG 4.46Å; W443-M484 HydrophobicContact CE3-SD 3.88Å; W443-M484 HydrophobicContact CZ3-SD 4.37Å; W443-F491 HydrophobicContact CE3-CZ 4.22Å; W443-F491 HydrophobicContact CH2-CE1 4.08Å; W443-F491 HydrophobicContact CH2-CZ 4.36Å; W443-F491 AromaticContact CZ3-CE1 3.9Å; W443-F491 HydrophobicContact CZ3-CE1 3.9Å; W443-F491 AromaticContact CZ3-CZ 3.79Å; W443-F491 HydrophobicContact CZ3-CZ 3.79Å
444	K	94.4	Very high	93.3	Very high	121 Å²	121	47.8 Å²	47.8	53%	0.526	22%	0.222	S	C	.	.	H	α-helix	trans	-67.6	-43.6	173.1	-77	-174.9	174.5	-170.9	0	112.8	I440 H441 S447	I440-K444 HydrophobicContact CG2-CD 4.13Å; I440-K444 WeakPolarHBondContact O-CB 3.42Å; I440-K444 WeakPolarHBondContact O-CG 3.11Å; I440-K444 PolarHBondContact O-N 3.41Å; H441-K444 PolarHBondContact O-N 3.47Å; K444-S447 PolarHBondContact O-N 2.93Å; K444-S447 PolarHBondContact O-OG 2.93Å
445	R	94.9	Very high	92.5	Very high	73 Å²	73	49.7 Å²	49.7	28%	0.275	24%	0.243	S	C	.	.	H	α-helix	trans	-70.4	-39.5	178.8	-172.7	66.8	-172.2	-177.4	6.5	111	L390 E394 H441 F442 S447 R448	L390-R445 HydrophobicContact CD1-CB 3.88Å; L390-R445 HydrophobicContact CD1-CG 3.87Å; L390-R445 HydrophobicContact CD2-CB 4.39Å; L390-R445 HydrophobicContact CD2-CG 4.3Å; E394-R445 IonicContact OE2-NH2 3.38Å; E394-R445 PolarHBondContact OE2-NH2 3.07Å; H441-R445 WeakPolarHBondContact O-CB 3.49Å; H441-R445 PolarHBondContact O-N 2.74Å; F442-R445 PolarHBondContact O-N 3.25Å; R445-S447 VanDerWaalsContact C-N 3.28Å; R445-S447 PolarHBondContact O-N 3.27Å; R445-R448 PolarHBondContact O-N 3.33Å
446	L	96.2	Very high	92	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-35.3	172.2	-176.5	61.4	0	0	0	112.2	L390 I393 I406 M409 F442 W443 R448 L449 M450 M484	L390-L446 HydrophobicContact CD2-CB 4.01Å; L390-L446 HydrophobicContact CD2-CD1 4.39Å; I393-L446 HydrophobicContact CD1-CD1 4.23Å; I406-L446 HydrophobicContact CD1-CD1 4.19Å; M409-L446 HydrophobicContact CE-CD1 4.29Å; M409-L446 HydrophobicContact CE-CD2 4.4Å; M409-L446 HydrophobicContact SD-CD1 4.31Å; M409-L446 HydrophobicContact SD-CD2 4.08Å; F442-L446 HydrophobicContact CE1-CD2 4.18Å; F442-L446 HydrophobicContact CZ-CD2 4.11Å; F442-L446 WeakPolarHBondContact O-CB 3.1Å; F442-L446 PolarHBondContact O-N 3.46Å; W443-L446 HydrophobicContact CE3-CD2 3.87Å; W443-L446 HydrophobicContact CZ3-CD2 3.83Å; L446-R448 PolarHBondContact O-N 3.31Å; L446-L449 WeakPolarHBondContact O-CB 3.14Å; L446-L449 PolarHBondContact O-N 2.95Å; L446-M450 PolarHBondContact O-N 3.2Å; L446-M484 HydrophobicContact CB-CE 4.33Å; L446-M484 HydrophobicContact CD2-CE 4.28Å; L446-M484 HydrophobicContact CG-CE 4.03Å
447	S	93.8	Very high	91.6	Very high	6 Å²	6	48 Å²	48	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-66.1	-35.2	-179	81.4	0	0	0	0	113.1	W443 K444 R445 L449 M450 Y487	W443-S447 WeakPolarHBondContact O-CB 3.37Å; W443-S447 PolarHBondContact O-N 2.9Å; K444-S447 PolarHBondContact O-N 2.93Å; K444-S447 PolarHBondContact O-OG 2.93Å; R445-S447 VanDerWaalsContact C-N 3.28Å; R445-S447 PolarHBondContact O-N 3.27Å; S447-L449 PolarHBondContact O-N 3.11Å; S447-M450 WeakPolarHBondContact O-CB 3.39Å; S447-M450 PolarHBondContact O-N 3.23Å; S447-Y487 WeakPolarHBondContact O-CD2 3.35Å; S447-Y487 VanDerWaalsContact OG-CD2 3.26Å; S447-Y487 WeakPolarHBondContact OG-CD2 3.36Å
448	R	92.3	Very high	91.5	Very high	41 Å²	41	40.4 Å²	40.4	16%	0.155	21%	0.207	C	C	.	.	H	α-helix	trans	-65.6	-18.5	171.7	-66.8	-175.7	67.5	-162.7	-7	114	E325 E332 K405 R445 L446 K452 Y487	E325-R448 IonicContact OE2-CZ 2.95Å; E325-R448 VanDerWaalsContact OE2-CZ 3.26Å; E325-R448 IonicContact OE2-NH1 2.84Å; E325-R448 PolarHBondContact OE2-NH1 3.01Å; E325-R448 IonicContact OE2-NH2 2.79Å; E325-R448 PolarHBondContact OE2-NH2 3.05Å; E332-R448 IonicContact OE1-CZ 2.69Å; E332-R448 IonicContact OE1-NE 3.46Å; E332-R448 PolarHBondContact OE1-NE 3.38Å; E332-R448 IonicContact OE1-NH2 2.67Å; E332-R448 PolarHBondContact OE1-NH2 2.92Å; K405-R448 PolarHBondContact NZ-O 3.4Å; R445-R448 PolarHBondContact O-N 3.33Å; L446-R448 PolarHBondContact O-N 3.31Å; R448-K452 PolarHBondContact O-NZ 3.25Å; R448-Y487 HydrophobicContact CG-CE2 4.2Å
449	L	94.5	Very high	91.6	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-11.5	173.7	-57.5	178.9	0	0	0	113.2	L390 I393 E394 K405 I406 L446 S447	L390-L449 HydrophobicContact CD2-CD1 4.14Å; I393-L449 HydrophobicContact CB-CD1 4.47Å; I393-L449 HydrophobicContact CG2-CD1 3.86Å; E394-L449 HydrophobicContact CB-CD2 4.36Å; E394-L449 HydrophobicContact CG-CD2 4.47Å; K405-L449 WeakPolarHBondContact CA-O 3.49Å; K405-L449 WeakPolarHBondContact CB-O 3.38Å; I406-L449 HydrophobicContact CD1-CB 4.34Å; I406-L449 PolarHBondContact N-O 3.39Å; L446-L449 WeakPolarHBondContact O-CB 3.14Å; L446-L449 PolarHBondContact O-N 2.95Å; S447-L449 PolarHBondContact O-N 3.11Å
450	M	94.9	Very high	91.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-77.6	152.7	173	-50.3	-58.7	-60.6	0	0	111.1	I406 L446 S447 N458 I460 M484 V489	I406-M450 HydrophobicContact CB-CE 4Å; I406-M450 HydrophobicContact CB-SD 3.86Å; I406-M450 HydrophobicContact CD1-SD 4.12Å; I406-M450 HydrophobicContact CG1-SD 4.5Å; I406-M450 HydrophobicContact CG2-CE 3.86Å; I406-M450 HydrophobicContact CG2-SD 4.13Å; L446-M450 PolarHBondContact O-N 3.2Å; S447-M450 WeakPolarHBondContact O-CB 3.39Å; S447-M450 PolarHBondContact O-N 3.23Å; M450-N458 HydrophobicContact CE-CB 3.59Å; M450-I460 HydrophobicContact CE-CD1 4.38Å; M450-I460 HydrophobicContact CE-CG1 4.19Å; M450-I460 HydrophobicContact SD-CD1 4.39Å; M450-M484 HydrophobicContact CG-CE 3.89Å; M450-M484 HydrophobicContact SD-CE 4.36Å; M450-V489 HydrophobicContact CB-CG2 4.4Å; M450-V489 HydrophobicContact CG-CG2 3.98Å
451	S	93.4	Very high	91.8	Very high	7 Å²	7	37.2 Å²	37.2	5%	0.049	19%	0.191	C	C	.	.			trans	-70.7	143.6	-176	175.5	0	0	0	0	114	E336 I406 V453 N454 N458	E336-S451 VanDerWaalsContact OE1-CA 3.24Å; E336-S451 WeakPolarHBondContact OE1-CA 3.41Å; E336-S451 WeakPolarHBondContact OE1-CB 3.2Å; E336-S451 PolarHBondContact OE1-OG 3.46Å; I406-S451 PolarHBondContact O-N 3.43Å; S451-V453 PolarHBondContact OG-N 2.76Å; S451-N454 WeakPolarHBondContact CB-ND2 3.42Å; S451-N454 PolarHBondContact OG-N 3.16Å; S451-N454 PolarHBondContact OG-ND2 3.27Å; S451-N458 PolarHBondContact O-ND2 2.81Å
452	K	89.8	Confident	91.9	Very high	17 Å²	17	32.9 Å²	32.9	7%	0.074	17%	0.171	C	C	.	.	S	Bend	trans	-106.3	-9.3	173	-60.5	118.7	-161.8	166.1	0	113.9	W329 E332 K333 E336 R448 Y487	W329-K452 HydrophobicContact CZ2-CB 4.43Å; E332-K452 HydrophobicContact CB-CD 4.19Å; E332-K452 WeakPolarHBondContact OE2-CE 3.47Å; E332-K452 IonicContact OE2-NZ 2.87Å; E332-K452 PolarHBondContact OE2-NZ 3.24Å; K333-K452 HydrophobicContact CB-CB 3.69Å; K333-K452 HydrophobicContact CD-CB 4.22Å; K333-K452 HydrophobicContact CG-CB 3.84Å; E336-K452 PolarHBondContact OE1-N 3.35Å; E336-K452 PolarHBondContact OE2-N 3.11Å; R448-K452 PolarHBondContact O-NZ 3.25Å; K452-Y487 HydrophobicContact CD-CE1 4.07Å; K452-Y487 HydrophobicContact CG-CD1 3.98Å; K452-Y487 HydrophobicContact CG-CE1 3.78Å
453	V	86.8	Confident	91.8	Very high	52 Å²	52	32.9 Å²	32.9	32%	0.315	17%	0.171	S	C	.	.	S	Bend	trans	-100.7	-20.6	-173.9	-52.9	0	0	0	0	114.4	K333 E336 A337 S451	K333-V453 HydrophobicContact CG-CG1 4.13Å; K333-V453 WeakPolarHBondContact O-CG1 3.44Å; E336-V453 HydrophobicContact CB-CG1 3.93Å; E336-V453 HydrophobicContact CG-CG1 3.87Å; E336-V453 HydrophobicContact CG-CG2 4.24Å; E336-V453 WeakPolarHBondContact OE1-CG2 3.3Å; A337-V453 HydrophobicContact CB-CG1 3.89Å; S451-V453 PolarHBondContact OG-N 2.76Å
454	N	81.8	Confident	91.6	Very high	37 Å²	37	34.5 Å²	34.5	20%	0.198	19%	0.188	C	C	.	.			trans	-65.1	140.5	-177.6	-73.8	-45.3	0	0	0	112.4	W407 S451	W407-N454 WeakPolarHBondContact CB-ND2 3.46Å; S451-N454 WeakPolarHBondContact CB-ND2 3.42Å; S451-N454 PolarHBondContact OG-N 3.16Å; S451-N454 PolarHBondContact OG-ND2 3.27Å
455	P	75	Confident	91.5	Very high	135 Å²	135	30 Å²	30	88%	0.877	17%	0.171	S	C	*	.	S	Bend	trans	-75.3	-29.2	177	30.4	-35	0	0	0	112.7
456	E	81.7	Confident	91.3	Very high	100 Å²	100	31.1 Å²	31.1	47%	0.467	18%	0.176	S	C	.	.	S	Bend	trans	-82.4	146.1	169.6	-67.4	-168.6	164.3	0	0	110.7	W407 K408	W407-E456 VanDerWaalsContact CZ2-OE2 3.29Å; W407-E456 WeakPolarHBondContact CZ2-OE2 3.42Å; K408-E456 IonicContact NZ-OE2 3.91Å; K408-E456 PolarHBondContact NZ-OE2 3.02Å
457	P	86.7	Confident	91.2	Very high	61 Å²	61	31.1 Å²	31.1	40%	0.396	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-61.2	147.5	168.4	29.6	-35.6	0	0	0	110.7	K488 T490	P457-K488 CarbonylContact C-O 3.6Å; P457-K488 WeakPolarHBondContact CA-O 3.48Å; P457-K488 HydrophobicContact CB-CB 4.26Å; P457-K488 WeakPolarHBondContact CB-O 3.14Å; P457-T490 HydrophobicContact CB-CG2 4.17Å; P457-T490 HydrophobicContact CG-CG2 4.13Å
458	N	93.9	Very high	91.1	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.027	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	140.7	179	-56.7	-59.1	0	0	0	110.1	I406 W407 M450 S451 K488 V489 T490	I406-N458 PolarHBondContact O-OD1 2.87Å; W407-N458 CarbonylContact O-C 3.58Å; W407-N458 WeakPolarHBondContact O-CA 3.46Å; W407-N458 VanDerWaalsContact O-CB 3.32Å; W407-N458 WeakPolarHBondContact O-CB 3.44Å; M450-N458 HydrophobicContact CE-CB 3.59Å; S451-N458 PolarHBondContact O-ND2 2.81Å; N458-K488 PolarHBondContact N-O 2.61Å; N458-V489 CarbonylContact O-C 3.56Å; N458-V489 VanDerWaalsContact O-CA 3.3Å; N458-V489 WeakPolarHBondContact O-CA 3.15Å; N458-T490 PolarHBondContact O-N 2.69Å; N458-T490 PolarHBondContact O-OG1 3.3Å
459	V	95.6	Very high	91	Very high	14 Å²	14	33.1 Å²	33.1	9%	0.085	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.5	-171.6	-170	0	0	0	0	111.4	W407 K408 M409 E492	W407-V459 PolarHBondContact O-N 3.3Å; W407-V459 VanDerWaalsContact O-N 3.11Å; K408-V459 CarbonylContact C-O 3.47Å; K408-V459 WeakPolarHBondContact CA-O 3.28Å; K408-V459 HydrophobicContact CD-CG2 4.5Å; K408-V459 HydrophobicContact CG-CB 4.3Å; M409-V459 PolarHBondContact N-O 3.09Å; V459-E492 HydrophobicContact CG1-CG 4.31Å
460	I	97.5	Very high	90.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	106.9	169.6	-56.9	-172.8	0	0	0	109.5	M409 I411 W443 M450 I462 M484 V489 T490 F491 E492	M409-I460 HydrophobicContact CB-CB 4.46Å; M409-I460 HydrophobicContact CB-CG1 3.99Å; M409-I460 HydrophobicContact CB-CG2 4.33Å; M409-I460 HydrophobicContact SD-CD1 4.31Å; I411-I460 HydrophobicContact CD1-CG2 3.94Å; I411-I460 HydrophobicContact CG1-CG2 4.19Å; W443-I460 HydrophobicContact CZ3-CD1 4.48Å; M450-I460 HydrophobicContact CE-CD1 4.38Å; M450-I460 HydrophobicContact CE-CG1 4.19Å; M450-I460 HydrophobicContact SD-CD1 4.39Å; I460-I462 HydrophobicContact CG2-CD1 3.91Å; I460-M484 HydrophobicContact CD1-CE 3.94Å; I460-M484 HydrophobicContact CD1-SD 3.87Å; I460-V489 HydrophobicContact CB-CG1 4.43Å; I460-V489 HydrophobicContact CD1-CG1 3.7Å; I460-V489 HydrophobicContact CG1-CG1 3.66Å; I460-T490 PolarHBondContact N-O 3.27Å; I460-F491 HydrophobicContact CB-CD1 3.98Å; I460-F491 HydrophobicContact CB-CE1 3.89Å; I460-F491 HydrophobicContact CB-CG 4.47Å; I460-F491 HydrophobicContact CB-CZ 4.31Å; I460-F491 HydrophobicContact CD1-CE1 4.12Å; I460-F491 HydrophobicContact CD1-CE2 4.4Å; I460-F491 HydrophobicContact CD1-CZ 3.82Å; I460-F491 HydrophobicContact CG2-CD1 4.02Å; I460-F491 HydrophobicContact CG2-CE1 3.74Å; I460-F491 HydrophobicContact CG2-CZ 4.47Å; I460-F491 WeakPolarHBondContact O-CA 3.37Å; I460-E492 PolarHBondContact O-N 2.93Å
461	H	97.4	Very high	90.8	Very high	14 Å²	14	39.6 Å²	39.6	7%	0.065	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.1	174	-61.4	107.3	0	0	0	110.9	M409 L410 I411 E492 M504 Y508	M409-H461 PolarHBondContact O-N 2.79Å; L410-H461 CarbonylContact C-O 3.52Å; L410-H461 WeakPolarHBondContact CA-O 3.39Å; L410-H461 HydrophobicContact CD1-CB 3.72Å; I411-H461 PolarHBondContact N-O 2.96Å; H461-E492 CarbonylContact C-O 3.59Å; H461-E492 WeakPolarHBondContact CA-O 3.35Å; H461-M504 HydrophobicContact CB-CG 4.09Å; H461-M504 HydrophobicContact CB-SD 3.85Å; H461-Y508 AromaticContact ND1-CE2 3.54Å; H461-Y508 AromaticContact ND1-CZ 3.71Å; H461-Y508 PolarHBondContact ND1-OH 2.88Å
462	I	96.8	Very high	90.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.4	175.3	-51.2	-58.8	0	0	0	109.3	I411 L420 I460 F477 F491 E492 S493	I411-I462 HydrophobicContact CB-CD1 3.87Å; I411-I462 HydrophobicContact CD1-CD1 3.97Å; I411-I462 HydrophobicContact CG1-CD1 4.2Å; L420-I462 HydrophobicContact CD1-CD1 4.31Å; L420-I462 HydrophobicContact CD1-CG2 4.09Å; L420-I462 HydrophobicContact CD2-CG2 3.65Å; I460-I462 HydrophobicContact CG2-CD1 3.91Å; I462-F477 HydrophobicContact CB-CZ 4.32Å; I462-F477 HydrophobicContact CG1-CE1 3.92Å; I462-F477 HydrophobicContact CG1-CZ 3.8Å; I462-F491 HydrophobicContact CD1-CD1 4.45Å; I462-F491 HydrophobicContact CG1-CD1 4.5Å; I462-E492 PolarHBondContact N-O 3.15Å; I462-S493 WeakPolarHBondContact O-CB 3.46Å; I462-S493 PolarHBondContact O-OG 3.28Å
463	M	94.7	Very high	91	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	159.2	-178.4	-166.2	179.5	65.4	0	0	111.6	L410 I411 F412 C413 E496 M504 I505 F509 Y514	L410-M463 HydrophobicContact CD1-CB 3.85Å; L410-M463 HydrophobicContact CD2-CE 4.19Å; I411-M463 PolarHBondContact O-N 3.13Å; F412-M463 HydrophobicContact CB-CE 4.47Å; F412-M463 HydrophobicContact CD1-CE 3.37Å; F412-M463 HydrophobicContact CD2-CB 4.46Å; F412-M463 HydrophobicContact CD2-CE 4Å; F412-M463 HydrophobicContact CE1-CE 3.36Å; F412-M463 HydrophobicContact CE2-CE 3.99Å; F412-M463 HydrophobicContact CG-CE 3.7Å; F412-M463 HydrophobicContact CZ-CE 3.68Å; C413-M463 PolarHBondContact N-O 2.94Å; M463-E496 HydrophobicContact CG-CG 4.16Å; M463-E496 WeakPolarHBondContact CG-OE1 3.34Å; M463-E496 HydrophobicContact SD-CG 4.45Å; M463-M504 HydrophobicContact CB-CE 4.11Å; M463-M504 HydrophobicContact CG-CE 3.82Å; M463-M504 HydrophobicContact SD-CE 3.66Å; M463-I505 HydrophobicContact SD-CG1 4.13Å; M463-F509 HydrophobicContact CE-CE2 3.62Å; M463-F509 HydrophobicContact CE-CZ 3.91Å; M463-F509 HydrophobicContact SD-CE2 4.45Å; M463-Y514 HydrophobicContact CE-CE2 3.85Å; M463-Y514 HydrophobicContact SD-CE2 4.13Å; M463-Y514 PolarHBondContact SD-OH 3.23Å; M463-Y514 VanDerWaalsContact SD-OH 3.36Å
464	G	91.6	Very high	91.5	Very high	35 Å²	35	43.9 Å²	43.9	36%	0.361	25%	0.254	S	S	.	.	S	Bend	trans	95.9	-9.7	-177.7	0	0	0	0	0	114.7	C413	C413-G464 CarbonylContact O-C 3.59Å
465	C	91.9	Very high	92.1	Very high	25 Å²	25	46.9 Å²	46.9	17%	0.169	27%	0.266	C	S	.	.	S	Bend	trans	-142.8	174.9	172.4	68.8	0	0	0	0	111.6	L420	L420-C465 WeakPolarHBondContact CD2-SG 3.3Å
466	Y	90.6	Very high	93.2	Very high	97 Å²	97	40.5 Å²	40.5	38%	0.38	22%	0.224	S	C	.	.			trans	-116.9	77.8	173.1	178.8	-145.4	0	0	0	109.5	P417 L468 G469 L495	P417-Y466 WeakPolarHBondContact CA-O 3.29Å; Y466-L468 VanDerWaalsContact CE2-C 3.48Å; Y466-L468 HydrophobicContact CE2-CB 4.07Å; Y466-L468 PolarHBondContact OH-O 3.26Å; Y466-G469 VanDerWaalsContact CZ-CA 3.47Å; Y466-G469 PolarHBondContact O-N 3.17Å; Y466-L495 HydrophobicContact CD1-CD2 4.19Å; Y466-L495 HydrophobicContact CD2-CD2 3.51Å; Y466-L495 HydrophobicContact CD2-CG 4.37Å; Y466-L495 HydrophobicContact CE1-CD2 4.41Å; Y466-L495 HydrophobicContact CE2-CD2 3.8Å; Y466-L495 HydrophobicContact CE2-CG 4.26Å; Y466-L495 HydrophobicContact CG-CD2 3.75Å
467	I	93.5	Very high	93.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-41.2	-178.5	-179.5	162.5	0	0	0	112.3	G416 G418 L420 G469 L476 F477 S493	G416-I467 WeakPolarHBondContact O-CA 3.47Å; G418-I467 PolarHBondContact N-O 3.47Å; L420-I467 HydrophobicContact CD1-CD1 4.22Å; L420-I467 HydrophobicContact CD2-CB 4.3Å; L420-I467 HydrophobicContact CD2-CD1 3.76Å; L420-I467 HydrophobicContact CG-CD1 3.88Å; I467-G469 PolarHBondContact O-N 3.04Å; I467-G469 VanDerWaalsContact O-N 3.08Å; I467-L476 HydrophobicContact CD1-CD2 3.49Å; I467-L476 VanDerWaalsContact CD1-CD2 3.49Å; I467-L476 HydrophobicContact CD1-CG 4.06Å; I467-L476 HydrophobicContact CG1-CD2 4.45Å; I467-F477 HydrophobicContact CD1-CD1 4.03Å; I467-F477 HydrophobicContact CD1-CE1 3.6Å; I467-F477 HydrophobicContact CD1-CZ 4.42Å; I467-F477 HydrophobicContact CG1-CE1 4.35Å; I467-F477 HydrophobicContact CG2-CE1 3.96Å; I467-F477 HydrophobicContact CG2-CE2 4.41Å; I467-F477 HydrophobicContact CG2-CZ 3.68Å; I467-S493 VanDerWaalsContact CG2-CB 3.47Å; I467-S493 WeakPolarHBondContact CG2-OG 3.42Å
468	L	93.3	Very high	94.2	Very high	55 Å²	55	38.1 Å²	38.1	29%	0.288	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	16.6	177.4	-57.1	-179.4	0	0	0	113.9	Y466 N470 E474 F477	Y466-L468 VanDerWaalsContact CE2-C 3.48Å; Y466-L468 HydrophobicContact CE2-CB 4.07Å; Y466-L468 PolarHBondContact OH-O 3.26Å; L468-N470 PolarHBondContact O-N 2.7Å; L468-E474 HydrophobicContact CD2-CG 4.01Å; L468-F477 HydrophobicContact CD1-CE2 4.25Å; L468-F477 HydrophobicContact CD2-CD2 3.86Å; L468-F477 HydrophobicContact CD2-CE2 4.03Å; L468-F477 HydrophobicContact CD2-CG 4.44Å; L468-F477 HydrophobicContact CG-CE2 4.25Å
469	G	89.4	Confident	94.3	Very high	35 Å²	35	38.9 Å²	38.9	36%	0.361	21%	0.212	S	C	.	.	S	Bend	trans	-78.1	8.3	172	0	0	0	0	0	114.8	Y466 I467	Y466-G469 VanDerWaalsContact CZ-CA 3.47Å; Y466-G469 PolarHBondContact O-N 3.17Å; I467-G469 PolarHBondContact O-N 3.04Å; I467-G469 VanDerWaalsContact O-N 3.08Å
470	N	90.5	Very high	94.3	Very high	59 Å²	59	38.2 Å²	38.2	32%	0.316	21%	0.208	S	C	.	.	S	Bend	trans	-162.6	141.1	-178.3	-179.1	-46.3	0	0	0	108.2	P417 L468 N472 G473	P417-N470 HydrophobicContact CB-CB 3.65Å; L468-N470 PolarHBondContact O-N 2.7Å; N470-N472 PolarHBondContact O-N 3.45Å; N470-N472 WeakPolarHBondContact OD1-CB 3.32Å; N470-N472 PolarHBondContact OD1-N 2.72Å; N470-G473 PolarHBondContact O-N 3.2Å
471	P	93.8	Very high	94.2	Very high	81 Å²	81	43.1 Å²	43.1	53%	0.526	23%	0.226	S	C	.	.	H	α-helix	trans	-52.1	-24.4	174.9	-30	36.7	0	0	0	115.5	G473 E474 K475	P471-G473 PolarHBondContact O-N 3.33Å; P471-E474 WeakPolarHBondContact O-CB 3.4Å; P471-E474 PolarHBondContact O-N 2.91Å; P471-E474 VanDerWaalsContact O-N 3.13Å; P471-K475 PolarHBondContact O-N 3.03Å; P471-K475 VanDerWaalsContact O-N 3.08Å
472	N	94.4	Very high	94	Very high	61 Å²	61	46.9 Å²	46.9	33%	0.326	25%	0.25	S	S	.	.	H	α-helix	trans	-60.5	-23.1	171.4	-69.4	-8.6	0	0	0	113.3	F430 N470 L476	F430-N472 HydrophobicContact CD1-CB 3.89Å; F430-N472 HydrophobicContact CE1-CB 4Å; N470-N472 PolarHBondContact O-N 3.45Å; N470-N472 WeakPolarHBondContact OD1-CB 3.32Å; N470-N472 PolarHBondContact OD1-N 2.72Å; N472-L476 WeakPolarHBondContact O-CB 3.41Å; N472-L476 PolarHBondContact O-N 2.89Å
473	G	94.8	Very high	93.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-76	-36.4	173.6	0	0	0	0	0	113	N470 P471 L476 F477	N470-G473 PolarHBondContact O-N 3.2Å; P471-G473 PolarHBondContact O-N 3.33Å; G473-L476 PolarHBondContact O-N 3.46Å; G473-F477 PolarHBondContact O-N 2.93Å
474	E	95.4	Very high	93.7	Very high	104 Å²	104	48 Å²	48	49%	0.486	26%	0.256	S	S	.	.	H	α-helix	trans	-66	-43.1	172.9	-63.7	166.8	177.1	0	0	110.2	L468 P471 F477 Q478	L468-E474 HydrophobicContact CD2-CG 4.01Å; P471-E474 WeakPolarHBondContact O-CB 3.4Å; P471-E474 PolarHBondContact O-N 2.91Å; P471-E474 VanDerWaalsContact O-N 3.13Å; E474-F477 CarbonylContact O-C 3.51Å; E474-F477 PolarHBondContact O-N 3.42Å; E474-Q478 WeakPolarHBondContact O-CG 3.38Å; E474-Q478 PolarHBondContact O-N 3.2Å
475	K	96.2	Very high	93.5	Very high	101 Å²	101	50.9 Å²	50.9	44%	0.439	27%	0.267	S	S	.	.	H	α-helix	trans	-60.3	-45.4	171.9	-66.8	-173.3	177	-169.5	0	112.3	F430 P471 F477 Q478 N479	F430-K475 HydrophobicContact CB-CB 3.92Å; F430-K475 HydrophobicContact CD2-CB 4.42Å; F430-K475 HydrophobicContact CD2-CD 4.48Å; F430-K475 HydrophobicContact CG-CB 4.15Å; P471-K475 PolarHBondContact O-N 3.03Å; P471-K475 VanDerWaalsContact O-N 3.08Å; K475-F477 VanDerWaalsContact C-N 3.29Å; K475-F477 PolarHBondContact O-N 2.86Å; K475-Q478 PolarHBondContact O-N 3.36Å; K475-Q478 VanDerWaalsContact O-N 3.14Å; K475-N479 WeakPolarHBondContact O-CB 3.34Å; K475-N479 PolarHBondContact O-N 3.45Å; K475-N479 PolarHBondContact O-OD1 2.99Å
476	L	96.5	Very high	93	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.7	-41.8	174.7	175.6	52.2	0	0	0	111.3	F430 V433 I467 N472 G473 L480	F430-L476 HydrophobicContact CB-CB 4.08Å; V433-L476 HydrophobicContact CB-CD1 4.25Å; V433-L476 HydrophobicContact CG1-CD1 3.91Å; I467-L476 HydrophobicContact CD1-CD2 3.49Å; I467-L476 VanDerWaalsContact CD1-CD2 3.49Å; I467-L476 HydrophobicContact CD1-CG 4.06Å; I467-L476 HydrophobicContact CG1-CD2 4.45Å; N472-L476 WeakPolarHBondContact O-CB 3.41Å; N472-L476 PolarHBondContact O-N 2.89Å; G473-L476 PolarHBondContact O-N 3.46Å; L476-L480 HydrophobicContact CD1-CD1 3.84Å; L476-L480 HydrophobicContact CD1-CG 3.99Å; L476-L480 HydrophobicContact CG-CD1 4Å; L476-L480 WeakPolarHBondContact O-CB 3.35Å; L476-L480 WeakPolarHBondContact O-CD1 3.44Å; L476-L480 WeakPolarHBondContact O-CG 3.27Å; L476-L480 PolarHBondContact O-N 3.44Å
477	F	95.9	Very high	92.6	Very high	5 Å²	5	50.5 Å²	50.5	2%	0.022	27%	0.273	C	S	.	.	H	α-helix	trans	-68	-32.9	174.7	-81.5	10.7	0	0	0	113.8	I462 I467 L468 G473 E474 K475 L480 R481 F491	I462-F477 HydrophobicContact CB-CZ 4.32Å; I462-F477 HydrophobicContact CG1-CE1 3.92Å; I462-F477 HydrophobicContact CG1-CZ 3.8Å; I467-F477 HydrophobicContact CD1-CD1 4.03Å; I467-F477 HydrophobicContact CD1-CE1 3.6Å; I467-F477 HydrophobicContact CD1-CZ 4.42Å; I467-F477 HydrophobicContact CG1-CE1 4.35Å; I467-F477 HydrophobicContact CG2-CE1 3.96Å; I467-F477 HydrophobicContact CG2-CE2 4.41Å; I467-F477 HydrophobicContact CG2-CZ 3.68Å; L468-F477 HydrophobicContact CD1-CE2 4.25Å; L468-F477 HydrophobicContact CD2-CD2 3.86Å; L468-F477 HydrophobicContact CD2-CE2 4.03Å; L468-F477 HydrophobicContact CD2-CG 4.44Å; L468-F477 HydrophobicContact CG-CE2 4.25Å; G473-F477 PolarHBondContact O-N 2.93Å; E474-F477 CarbonylContact O-C 3.51Å; E474-F477 PolarHBondContact O-N 3.42Å; K475-F477 VanDerWaalsContact C-N 3.29Å; K475-F477 PolarHBondContact O-N 2.86Å; F477-L480 HydrophobicContact CD1-CD1 4.25Å; F477-R481 WeakPolarHBondContact O-CD 3.42Å; F477-R481 WeakPolarHBondContact O-CG 3.39Å; F477-R481 PolarHBondContact O-N 2.89Å; F477-F491 HydrophobicContact CB-CB 4.25Å; F477-F491 HydrophobicContact CD1-CB 3.99Å; F477-F491 HydrophobicContact CD1-CD1 4.4Å; F477-F491 HydrophobicContact CD1-CG 4.46Å; F477-F491 HydrophobicContact CD2-CB 3.73Å; F477-F491 WeakPolarHBondContact CD2-O 3.34Å; F477-F491 HydrophobicContact CE1-CB 4.16Å; F477-F491 HydrophobicContact CE1-CD1 4.26Å; F477-F491 HydrophobicContact CE2-CB 3.93Å; F477-F491 WeakPolarHBondContact CE2-O 3.08Å; F477-F491 HydrophobicContact CG-CB 3.75Å; F477-F491 HydrophobicContact CZ-CB 4.12Å
478	Q	95	Very high	91.9	Very high	107 Å²	107	58.7 Å²	58.7	50%	0.5	31%	0.308	S	S	.	.	H	α-helix	trans	-65.5	-53.8	172.4	-72	162.8	1.4	0	0	110.4	E474 K475 L480 R481 T482	E474-Q478 WeakPolarHBondContact O-CG 3.38Å; E474-Q478 PolarHBondContact O-N 3.2Å; K475-Q478 PolarHBondContact O-N 3.36Å; K475-Q478 VanDerWaalsContact O-N 3.14Å; Q478-L480 VanDerWaalsContact C-N 3.28Å; Q478-L480 PolarHBondContact O-N 2.79Å; Q478-R481 WeakPolarHBondContact O-CB 3.34Å; Q478-R481 PolarHBondContact O-N 3.02Å; Q478-T482 PolarHBondContact O-N 3.36Å; Q478-T482 PolarHBondContact O-OG1 3.49Å
479	N	95.2	Very high	91.9	Very high	21 Å²	21	56.6 Å²	56.6	11%	0.112	30%	0.298	C	S	.	.	H	α-helix	trans	-57.6	-40.1	-179.9	-62.8	16.4	0	0	0	111.7	F430 V433 E434 K475 T482 L483	F430-N479 PolarHBondContact O-ND2 2.89Å; V433-N479 HydrophobicContact CG1-CB 3.91Å; E434-N479 VanDerWaalsContact CD-CG 3.4Å; E434-N479 HydrophobicContact CG-CB 4Å; E434-N479 WeakPolarHBondContact OE1-CB 3.27Å; E434-N479 PolarHBondContact OE1-ND2 3.42Å; E434-N479 VanDerWaalsContact OE1-ND2 3.16Å; E434-N479 PolarHBondContact OE2-ND2 3.22Å; K475-N479 WeakPolarHBondContact O-CB 3.34Å; K475-N479 PolarHBondContact O-N 3.45Å; K475-N479 PolarHBondContact O-OD1 2.99Å; N479-T482 WeakPolarHBondContact O-CB 3.33Å; N479-T482 PolarHBondContact O-N 2.93Å; N479-L483 WeakPolarHBondContact O-CG 3.3Å; N479-L483 PolarHBondContact O-N 3.45Å
480	L	96	Very high	92.2	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-40	174.8	-75.2	168.6	0	0	0	113.3	V433 W443 L476 F477 Q478 L483 M484 F491	V433-L480 HydrophobicContact CG2-CD2 3.86Å; W443-L480 HydrophobicContact CD2-CD2 3.46Å; W443-L480 VanDerWaalsContact CD2-CD2 3.46Å; W443-L480 HydrophobicContact CE3-CD2 4Å; W443-L480 HydrophobicContact CG-CD2 3.83Å; W443-L480 HydrophobicContact CH2-CD2 4.07Å; W443-L480 HydrophobicContact CZ2-CD1 4.49Å; W443-L480 HydrophobicContact CZ2-CD2 3.53Å; W443-L480 HydrophobicContact CZ3-CD2 4.28Å; L476-L480 HydrophobicContact CD1-CD1 3.84Å; L476-L480 HydrophobicContact CD1-CG 3.99Å; L476-L480 HydrophobicContact CG-CD1 4Å; L476-L480 WeakPolarHBondContact O-CB 3.35Å; L476-L480 WeakPolarHBondContact O-CD1 3.44Å; L476-L480 WeakPolarHBondContact O-CG 3.27Å; L476-L480 PolarHBondContact O-N 3.44Å; F477-L480 HydrophobicContact CD1-CD1 4.25Å; Q478-L480 VanDerWaalsContact C-N 3.28Å; Q478-L480 PolarHBondContact O-N 2.79Å; L480-L483 PolarHBondContact O-N 2.81Å; L480-M484 WeakPolarHBondContact O-CG 3.4Å; L480-M484 PolarHBondContact O-N 2.81Å; L480-M484 VanDerWaalsContact O-N 3.12Å; L480-F491 HydrophobicContact CB-CD2 4.17Å; L480-F491 HydrophobicContact CB-CE1 4.17Å; L480-F491 HydrophobicContact CB-CE2 3.73Å; L480-F491 HydrophobicContact CB-CZ 3.72Å; L480-F491 HydrophobicContact CD1-CD1 4.13Å; L480-F491 HydrophobicContact CD1-CE1 3.84Å; L480-F491 HydrophobicContact CD1-CZ 4.22Å; L480-F491 HydrophobicContact CD2-CZ 4.42Å; L480-F491 HydrophobicContact CG-CE1 4.46Å; L480-F491 HydrophobicContact CG-CZ 4.35Å
481	R	94.5	Very high	92.4	Very high	103 Å²	103	54.3 Å²	54.3	39%	0.389	28%	0.278	S	S	.	.	H	α-helix	trans	-66.2	-39.9	175.3	-67.2	165.9	-166.3	178.1	1	111.1	F477 Q478 M484 T485 F491	F477-R481 WeakPolarHBondContact O-CD 3.42Å; F477-R481 WeakPolarHBondContact O-CG 3.39Å; F477-R481 PolarHBondContact O-N 2.89Å; Q478-R481 WeakPolarHBondContact O-CB 3.34Å; Q478-R481 PolarHBondContact O-N 3.02Å; R481-M484 PolarHBondContact O-N 3.13Å; R481-T485 PolarHBondContact O-N 2.93Å; R481-T485 VanDerWaalsContact O-N 3.11Å; R481-T485 PolarHBondContact O-OG1 3.22Å; R481-F491 HydrophobicContact CG-CD2 3.78Å; R481-F491 HydrophobicContact CG-CE2 4.41Å; R481-F491 PolarHBondContact NH2-O 3.36Å
482	T	93.3	Very high	92.5	Very high	93 Å²	93	53.4 Å²	53.4	57%	0.571	27%	0.267	S	S	*	.	H	α-helix	trans	-60.4	-46.9	173.4	-51.1	0	0	0	0	111.2	Q478 N479 M484 T485	Q478-T482 PolarHBondContact O-N 3.36Å; Q478-T482 PolarHBondContact O-OG1 3.49Å; N479-T482 WeakPolarHBondContact O-CB 3.33Å; N479-T482 PolarHBondContact O-N 2.93Å; T482-M484 VanDerWaalsContact C-N 3.25Å; T482-M484 PolarHBondContact O-N 2.86Å; T482-T485 VanDerWaalsContact O-CB 3.28Å; T482-T485 WeakPolarHBondContact O-CB 3.26Å; T482-T485 PolarHBondContact O-N 3.24Å; T482-T485 PolarHBondContact O-OG1 3.49Å
483	L	93.2	Very high	92.6	Very high	26 Å²	26	50.9 Å²	50.9	14%	0.136	26%	0.255	C	S	.	.	H	α-helix	trans	-65.4	-23.2	178.9	-73.2	167.4	0	0	0	114.4	V433 I440 W443 N479 L480	V433-L483 HydrophobicContact CB-CD1 4.37Å; V433-L483 HydrophobicContact CG1-CD1 4.04Å; V433-L483 HydrophobicContact CG2-CD1 3.77Å; V433-L483 WeakPolarHBondContact O-CD1 3.47Å; I440-L483 HydrophobicContact CG1-CD2 4.34Å; I440-L483 HydrophobicContact CG2-CD2 4.13Å; W443-L483 HydrophobicContact CB-CB 4.31Å; N479-L483 WeakPolarHBondContact O-CG 3.3Å; N479-L483 PolarHBondContact O-N 3.45Å; L480-L483 PolarHBondContact O-N 2.81Å
484	M	93.5	Very high	92.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-98.8	-0.6	177	-61.7	-170.5	83.6	0	0	113.9	W443 L446 M450 I460 L480 R481 T482 Y487 V489 F491	W443-M484 HydrophobicContact CB-CG 4.46Å; W443-M484 HydrophobicContact CE3-SD 3.88Å; W443-M484 HydrophobicContact CZ3-SD 4.37Å; L446-M484 HydrophobicContact CB-CE 4.33Å; L446-M484 HydrophobicContact CD2-CE 4.28Å; L446-M484 HydrophobicContact CG-CE 4.03Å; M450-M484 HydrophobicContact CG-CE 3.89Å; M450-M484 HydrophobicContact SD-CE 4.36Å; I460-M484 HydrophobicContact CD1-CE 3.94Å; I460-M484 HydrophobicContact CD1-SD 3.87Å; L480-M484 WeakPolarHBondContact O-CG 3.4Å; L480-M484 PolarHBondContact O-N 2.81Å; L480-M484 VanDerWaalsContact O-N 3.12Å; R481-M484 PolarHBondContact O-N 3.13Å; T482-M484 VanDerWaalsContact C-N 3.25Å; T482-M484 PolarHBondContact O-N 2.86Å; M484-Y487 WeakPolarHBondContact O-CB 3.41Å; M484-Y487 WeakPolarHBondContact O-CD2 3.46Å; M484-Y487 PolarHBondContact O-N 3.39Å; M484-V489 HydrophobicContact CB-CB 4.41Å; M484-V489 HydrophobicContact CB-CG2 4.24Å; M484-V489 HydrophobicContact CE-CG2 4.13Å; M484-V489 HydrophobicContact SD-CB 4.37Å; M484-V489 HydrophobicContact SD-CG1 4.04Å; M484-V489 HydrophobicContact SD-CG2 4.32Å; M484-F491 HydrophobicContact SD-CE2 3.73Å; M484-F491 HydrophobicContact SD-CZ 3.59Å; M484-F491 VanDerWaalsContact SD-CZ 3.59Å
485	T	86.1	Confident	92.3	Very high	96 Å²	96	49.3 Å²	49.3	59%	0.589	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	139.2	172	-62.6	0	0	0	0	109.5	R481 T482	R481-T485 PolarHBondContact O-N 2.93Å; R481-T485 VanDerWaalsContact O-N 3.11Å; R481-T485 PolarHBondContact O-OG1 3.22Å; T482-T485 VanDerWaalsContact O-CB 3.28Å; T482-T485 WeakPolarHBondContact O-CB 3.26Å; T482-T485 PolarHBondContact O-N 3.24Å; T482-T485 PolarHBondContact O-OG1 3.49Å
486	P	82.6	Confident	91.8	Very high	85 Å²	85	47.3 Å²	47.3	55%	0.552	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	cis	-82.1	-4.7	13	34.3	-38.2	0	0	0	115.9	K488	P486-K488 PolarHBondContact O-N 2.79Å
487	Y	81.2	Confident	91.2	Very high	29 Å²	29	55.7 Å²	55.7	11%	0.114	29%	0.286	C	S	.	.	S	Bend	trans	-70.7	125	-175.3	-52.2	-72.8	0	0	0	110.6	W329 S447 R448 K452 M484 V489	W329-Y487 AromaticContact CD1-CE1 3.65Å; W329-Y487 AromaticContact NE1-CD1 3.95Å; W329-Y487 AromaticContact NE1-CE1 3.63Å; S447-Y487 WeakPolarHBondContact O-CD2 3.35Å; S447-Y487 VanDerWaalsContact OG-CD2 3.26Å; S447-Y487 WeakPolarHBondContact OG-CD2 3.36Å; R448-Y487 HydrophobicContact CG-CE2 4.2Å; K452-Y487 HydrophobicContact CD-CE1 4.07Å; K452-Y487 HydrophobicContact CG-CD1 3.98Å; K452-Y487 HydrophobicContact CG-CE1 3.78Å; M484-Y487 WeakPolarHBondContact O-CB 3.41Å; M484-Y487 WeakPolarHBondContact O-CD2 3.46Å; M484-Y487 PolarHBondContact O-N 3.39Å; Y487-V489 VanDerWaalsContact C-N 3.26Å; Y487-V489 PolarHBondContact O-N 3.34Å
488	K	80	Confident	91	Very high	172 Å²	172	57.6 Å²	57.6	75%	0.748	30%	0.3	S	S	*	.			trans	-73.5	79.2	-176.4	-67	179.3	-179.5	173.6	0	110.6	P457 N458 P486	P457-K488 CarbonylContact C-O 3.6Å; P457-K488 WeakPolarHBondContact CA-O 3.48Å; P457-K488 HydrophobicContact CB-CB 4.26Å; P457-K488 WeakPolarHBondContact CB-O 3.14Å; N458-K488 PolarHBondContact N-O 2.61Å; P486-K488 PolarHBondContact O-N 2.79Å
489	V	93	Very high	90.9	Very high	11 Å²	11	56.1 Å²	56.1	7%	0.067	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	124.3	179.4	-177.5	0	0	0	0	110.1	M450 N458 I460 M484 Y487 F491	M450-V489 HydrophobicContact CB-CG2 4.4Å; M450-V489 HydrophobicContact CG-CG2 3.98Å; N458-V489 CarbonylContact O-C 3.56Å; N458-V489 VanDerWaalsContact O-CA 3.3Å; N458-V489 WeakPolarHBondContact O-CA 3.15Å; I460-V489 HydrophobicContact CB-CG1 4.43Å; I460-V489 HydrophobicContact CD1-CG1 3.7Å; I460-V489 HydrophobicContact CG1-CG1 3.66Å; M484-V489 HydrophobicContact CB-CB 4.41Å; M484-V489 HydrophobicContact CB-CG2 4.24Å; M484-V489 HydrophobicContact CE-CG2 4.13Å; M484-V489 HydrophobicContact SD-CB 4.37Å; M484-V489 HydrophobicContact SD-CG1 4.04Å; M484-V489 HydrophobicContact SD-CG2 4.32Å; Y487-V489 VanDerWaalsContact C-N 3.26Å; Y487-V489 PolarHBondContact O-N 3.34Å; V489-F491 HydrophobicContact CG1-CD2 4.12Å; V489-F491 HydrophobicContact CG1-CE2 3.76Å; V489-F491 HydrophobicContact CG1-CZ 4.44Å
490	T	94.5	Very high	90.8	Very high	42 Å²	42	59.6 Å²	59.6	26%	0.258	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	151.3	166.1	62.1	0	0	0	0	110.3	P457 N458 I460	P457-T490 HydrophobicContact CB-CG2 4.17Å; P457-T490 HydrophobicContact CG-CG2 4.13Å; N458-T490 PolarHBondContact O-N 2.69Å; N458-T490 PolarHBondContact O-OG1 3.3Å; I460-T490 PolarHBondContact N-O 3.27Å
491	F	95.9	Very high	90.6	Very high	3 Å²	3	59.6 Å²	59.6	1%	0.013	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.6	174.5	-82.3	-96.9	0	0	0	109.1	W443 I460 I462 F477 L480 R481 M484 V489	W443-F491 HydrophobicContact CE3-CZ 4.22Å; W443-F491 HydrophobicContact CH2-CE1 4.08Å; W443-F491 HydrophobicContact CH2-CZ 4.36Å; W443-F491 AromaticContact CZ3-CE1 3.9Å; W443-F491 HydrophobicContact CZ3-CE1 3.9Å; W443-F491 AromaticContact CZ3-CZ 3.79Å; W443-F491 HydrophobicContact CZ3-CZ 3.79Å; I460-F491 HydrophobicContact CB-CD1 3.98Å; I460-F491 HydrophobicContact CB-CE1 3.89Å; I460-F491 HydrophobicContact CB-CG 4.47Å; I460-F491 HydrophobicContact CB-CZ 4.31Å; I460-F491 HydrophobicContact CD1-CE1 4.12Å; I460-F491 HydrophobicContact CD1-CE2 4.4Å; I460-F491 HydrophobicContact CD1-CZ 3.82Å; I460-F491 HydrophobicContact CG2-CD1 4.02Å; I460-F491 HydrophobicContact CG2-CE1 3.74Å; I460-F491 HydrophobicContact CG2-CZ 4.47Å; I460-F491 WeakPolarHBondContact O-CA 3.37Å; I462-F491 HydrophobicContact CD1-CD1 4.45Å; I462-F491 HydrophobicContact CG1-CD1 4.5Å; F477-F491 HydrophobicContact CB-CB 4.25Å; F477-F491 HydrophobicContact CD1-CB 3.99Å; F477-F491 HydrophobicContact CD1-CD1 4.4Å; F477-F491 HydrophobicContact CD1-CG 4.46Å; F477-F491 HydrophobicContact CD2-CB 3.73Å; F477-F491 WeakPolarHBondContact CD2-O 3.34Å; F477-F491 HydrophobicContact CE1-CB 4.16Å; F477-F491 HydrophobicContact CE1-CD1 4.26Å; F477-F491 HydrophobicContact CE2-CB 3.93Å; F477-F491 WeakPolarHBondContact CE2-O 3.08Å; F477-F491 HydrophobicContact CG-CB 3.75Å; F477-F491 HydrophobicContact CZ-CB 4.12Å; L480-F491 HydrophobicContact CB-CD2 4.17Å; L480-F491 HydrophobicContact CB-CE1 4.17Å; L480-F491 HydrophobicContact CB-CE2 3.73Å; L480-F491 HydrophobicContact CB-CZ 3.72Å; L480-F491 HydrophobicContact CD1-CD1 4.13Å; L480-F491 HydrophobicContact CD1-CE1 3.84Å; L480-F491 HydrophobicContact CD1-CZ 4.22Å; L480-F491 HydrophobicContact CD2-CZ 4.42Å; L480-F491 HydrophobicContact CG-CE1 4.46Å; L480-F491 HydrophobicContact CG-CZ 4.35Å; R481-F491 HydrophobicContact CG-CD2 3.78Å; R481-F491 HydrophobicContact CG-CE2 4.41Å; R481-F491 PolarHBondContact NH2-O 3.36Å; M484-F491 HydrophobicContact SD-CE2 3.73Å; M484-F491 HydrophobicContact SD-CZ 3.59Å; M484-F491 VanDerWaalsContact SD-CZ 3.59Å; V489-F491 HydrophobicContact CG1-CD2 4.12Å; V489-F491 HydrophobicContact CG1-CE2 3.76Å; V489-F491 HydrophobicContact CG1-CZ 4.44Å
492	E	95.6	Very high	90.6	Very high	62 Å²	62	58.6 Å²	58.6	29%	0.29	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.5	-177	-70.4	-166.3	-145.4	0	0	111.7	V459 I460 H461 I462 Q500	V459-E492 HydrophobicContact CG1-CG 4.31Å; I460-E492 PolarHBondContact O-N 2.93Å; H461-E492 CarbonylContact C-O 3.59Å; H461-E492 WeakPolarHBondContact CA-O 3.35Å; I462-E492 PolarHBondContact N-O 3.15Å; E492-Q500 PolarHBondContact OE2-NE2 2.81Å
493	S	95.5	Very high	90.6	Very high	9 Å²	9	60 Å²	60	6%	0.063	32%	0.32	C	S	.	.			trans	-149.3	68.3	171.8	-167.7	0	0	0	0	110.1	I462 I467	I462-S493 WeakPolarHBondContact O-CB 3.46Å; I462-S493 PolarHBondContact O-OG 3.28Å; I467-S493 VanDerWaalsContact CG2-CB 3.47Å; I467-S493 WeakPolarHBondContact CG2-OG 3.42Å
494	P	93.1	Very high	90.8	Very high	14 Å²	14	59 Å²	59	9%	0.091	32%	0.315	C	S	.	.			trans	-66.8	142.9	177	30	-36	0	0	0	110.6	E496 Q500 M504	P494-E496 PolarHBondContact O-N 3.4Å; P494-Q500 HydrophobicContact CB-CB 3.88Å; P494-Q500 HydrophobicContact CB-CG 3.68Å; P494-Q500 HydrophobicContact CG-CG 4.07Å; P494-M504 HydrophobicContact CG-CB 3.98Å; P494-M504 HydrophobicContact CG-CE 4.15Å; P494-M504 HydrophobicContact CG-CG 4.36Å; P494-M504 HydrophobicContact CG-SD 3.6Å; P494-M504 VanDerWaalsContact CG-SD 3.6Å
495	L	90.5	Very high	90.9	Very high	56 Å²	56	59.1 Å²	59.1	29%	0.293	32%	0.316	S	S	.	.			trans	-61	126.2	174.4	-69.3	174.2	0	0	0	110.1	Y466 L497 S498 G501	Y466-L495 HydrophobicContact CD1-CD2 4.19Å; Y466-L495 HydrophobicContact CD2-CD2 3.51Å; Y466-L495 HydrophobicContact CD2-CG 4.37Å; Y466-L495 HydrophobicContact CE1-CD2 4.41Å; Y466-L495 HydrophobicContact CE2-CD2 3.8Å; Y466-L495 HydrophobicContact CE2-CG 4.26Å; Y466-L495 HydrophobicContact CG-CD2 3.75Å; L495-L497 PolarHBondContact O-N 3.39Å; L495-S498 WeakPolarHBondContact O-CB 3.44Å; L495-S498 PolarHBondContact O-N 2.71Å; L495-S498 PolarHBondContact O-OG 3Å; L495-G501 WeakPolarHBondContact O-CA 3.31Å
496	E	86.7	Confident	91.3	Very high	59 Å²	59	57.3 Å²	57.3	28%	0.276	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-18.8	-179	-59.5	172.5	169.7	0	0	115.3	M463 P494 I505 Y514 K518	M463-E496 HydrophobicContact CG-CG 4.16Å; M463-E496 WeakPolarHBondContact CG-OE1 3.34Å; M463-E496 HydrophobicContact SD-CG 4.45Å; P494-E496 PolarHBondContact O-N 3.4Å; E496-I505 HydrophobicContact CB-CD1 4.15Å; E496-Y514 PolarHBondContact OE1-OH 3.42Å; E496-K518 IonicContact OE1-NZ 2.76Å; E496-K518 PolarHBondContact OE1-NZ 3.31Å; E496-K518 WeakPolarHBondContact OE2-CE 3.49Å; E496-K518 IonicContact OE2-NZ 3.26Å; E496-K518 PolarHBondContact OE2-NZ 3.29Å
497	L	84.3	Confident	91.9	Very high	176 Å²	176	55.4 Å²	55.4	92%	0.921	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	0.5	178.3	-59.9	177.1	0	0	0	114	L495	L495-L497 PolarHBondContact O-N 3.39Å
498	S	90.7	Very high	92.7	Very high	45 Å²	45	54 Å²	54	32%	0.315	28%	0.282	S	S	.	.	S	Bend	trans	-93.6	167.8	176.7	80.5	0	0	0	0	111.8	L495 G501 K502	L495-S498 WeakPolarHBondContact O-CB 3.44Å; L495-S498 PolarHBondContact O-N 2.71Å; L495-S498 PolarHBondContact O-OG 3Å; S498-G501 PolarHBondContact O-N 3.35Å; S498-G501 PolarHBondContact OG-N 3.24Å; S498-K502 PolarHBondContact O-N 3.34Å
499	A	92.6	Very high	93.4	Very high	76 Å²	76	46 Å²	46	63%	0.628	25%	0.247	S	C	*	.	H	α-helix	trans	-60.5	-45.1	175.2	0	0	0	0	0	112.4	G501 K502 Q503	A499-G501 VanDerWaalsContact C-N 3.32Å; A499-G501 PolarHBondContact O-N 3.38Å; A499-K502 WeakPolarHBondContact O-CB 3.23Å; A499-K502 PolarHBondContact O-N 3.48Å; A499-Q503 WeakPolarHBondContact O-CG 3.32Å; A499-Q503 PolarHBondContact O-N 3.01Å
500	Q	93.1	Very high	93.5	Very high	95 Å²	95	48.2 Å²	48.2	44%	0.444	26%	0.258	S	S	.	.	H	α-helix	trans	-63.3	-37.2	174	-169.4	-173.5	3	0	0	111.7	E492 P494 Q503 M504	E492-Q500 PolarHBondContact OE2-NE2 2.81Å; P494-Q500 HydrophobicContact CB-CB 3.88Å; P494-Q500 HydrophobicContact CB-CG 3.68Å; P494-Q500 HydrophobicContact CG-CG 4.07Å; Q500-Q503 PolarHBondContact O-N 3.47Å; Q500-M504 WeakPolarHBondContact O-CB 3.2Å; Q500-M504 PolarHBondContact O-N 2.81Å
501	G	93.2	Very high	93.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.2	-39.2	174.7	0	0	0	0	0	112.6	L495 S498 A499 I505	L495-G501 WeakPolarHBondContact O-CA 3.31Å; S498-G501 PolarHBondContact O-N 3.35Å; S498-G501 PolarHBondContact OG-N 3.24Å; A499-G501 VanDerWaalsContact C-N 3.32Å; A499-G501 PolarHBondContact O-N 3.38Å; G501-I505 WeakPolarHBondContact O-CD1 3.41Å; G501-I505 VanDerWaalsContact O-CG1 3.22Å; G501-I505 WeakPolarHBondContact O-CG1 3.28Å; G501-I505 PolarHBondContact O-N 3.31Å
502	K	94.1	Very high	93.2	Very high	82 Å²	82	58.9 Å²	58.9	36%	0.357	30%	0.296	S	S	.	.	H	α-helix	trans	-62.5	-47	171.7	172.2	173.5	-176.3	-68.2	0	111.5	S498 A499 M504 I505 E506 F511	S498-K502 PolarHBondContact O-N 3.34Å; A499-K502 WeakPolarHBondContact O-CB 3.23Å; A499-K502 PolarHBondContact O-N 3.48Å; K502-M504 PolarHBondContact O-N 2.77Å; K502-I505 PolarHBondContact O-N 2.82Å; K502-E506 WeakPolarHBondContact CE-OE1 3.22Å; K502-E506 HydrophobicContact CG-CG 4.46Å; K502-E506 WeakPolarHBondContact CG-OE2 3.24Å; K502-E506 IonicContact NZ-OE1 2.7Å; K502-E506 PolarHBondContact NZ-OE1 3Å; K502-E506 IonicContact NZ-OE2 2.68Å; K502-E506 PolarHBondContact NZ-OE2 2.78Å; K502-E506 WeakPolarHBondContact O-CB 3.39Å; K502-E506 WeakPolarHBondContact O-CG 3.3Å; K502-E506 PolarHBondContact O-N 2.94Å; K502-F511 HydrophobicContact CB-CE2 4.23Å; K502-F511 HydrophobicContact CD-CE1 4.38Å; K502-F511 HydrophobicContact CD-CE2 4.21Å; K502-F511 HydrophobicContact CD-CZ 3.95Å; K502-F511 HydrophobicContact CG-CD2 4.22Å; K502-F511 HydrophobicContact CG-CE2 3.75Å; K502-F511 HydrophobicContact CG-CZ 4.02Å
503	Q	94.4	Very high	93.1	Very high	122 Å²	122	57.7 Å²	57.7	57%	0.57	29%	0.291	S	S	*	.	H	α-helix	trans	-60.5	-43.7	177	-71.9	167.4	-30.9	0	0	112.1	A499 Q500 E506 T507	A499-Q503 WeakPolarHBondContact O-CG 3.32Å; A499-Q503 PolarHBondContact O-N 3.01Å; Q500-Q503 PolarHBondContact O-N 3.47Å; Q503-E506 PolarHBondContact O-N 3.25Å; Q503-T507 PolarHBondContact O-N 2.97Å; Q503-T507 PolarHBondContact O-OG1 2.82Å
504	M	95.4	Very high	93	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.025	29%	0.29	C	S	.	.	H	α-helix	trans	-59	-47.7	172.7	178.1	-166.5	70.4	0	0	111.1	H461 M463 P494 Q500 K502 E506 T507 Y508	H461-M504 HydrophobicContact CB-CG 4.09Å; H461-M504 HydrophobicContact CB-SD 3.85Å; M463-M504 HydrophobicContact CB-CE 4.11Å; M463-M504 HydrophobicContact CG-CE 3.82Å; M463-M504 HydrophobicContact SD-CE 3.66Å; P494-M504 HydrophobicContact CG-CB 3.98Å; P494-M504 HydrophobicContact CG-CE 4.15Å; P494-M504 HydrophobicContact CG-CG 4.36Å; P494-M504 HydrophobicContact CG-SD 3.6Å; P494-M504 VanDerWaalsContact CG-SD 3.6Å; Q500-M504 WeakPolarHBondContact O-CB 3.2Å; Q500-M504 PolarHBondContact O-N 2.81Å; K502-M504 PolarHBondContact O-N 2.77Å; M504-E506 PolarHBondContact O-N 3.19Å; M504-T507 VanDerWaalsContact O-CB 3.32Å; M504-T507 WeakPolarHBondContact O-CB 3.35Å; M504-T507 PolarHBondContact O-N 2.89Å; M504-T507 VanDerWaalsContact O-N 3.14Å; M504-Y508 VanDerWaalsContact O-CD2 3.3Å; M504-Y508 WeakPolarHBondContact O-CD2 3.44Å
505	I	95.6	Very high	92.9	Very high	3 Å²	3	65.5 Å²	65.5	2%	0.015	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-44.9	177.7	-69.4	160.2	0	0	0	110.6	M463 E496 G501 K502 T507 Y508 F509 F511 Y514	M463-I505 HydrophobicContact SD-CG1 4.13Å; E496-I505 HydrophobicContact CB-CD1 4.15Å; G501-I505 WeakPolarHBondContact O-CD1 3.41Å; G501-I505 VanDerWaalsContact O-CG1 3.22Å; G501-I505 WeakPolarHBondContact O-CG1 3.28Å; G501-I505 PolarHBondContact O-N 3.31Å; K502-I505 PolarHBondContact O-N 2.82Å; I505-T507 PolarHBondContact O-N 3.27Å; I505-Y508 PolarHBondContact O-N 2.84Å; I505-Y508 VanDerWaalsContact O-N 3.09Å; I505-F509 HydrophobicContact CG2-CB 4.18Å; I505-F509 HydrophobicContact CG2-CD2 4.06Å; I505-F509 PolarHBondContact O-N 2.79Å; I505-F511 HydrophobicContact CB-CD2 4.48Å; I505-F511 HydrophobicContact CG2-CD2 3.88Å; I505-Y514 HydrophobicContact CD1-CD1 4.13Å; I505-Y514 HydrophobicContact CD1-CE1 3.58Å; I505-Y514 HydrophobicContact CG1-CE1 4.12Å; I505-Y514 HydrophobicContact CG1-CE2 4.43Å; I505-Y514 HydrophobicContact CG2-CD1 3.72Å; I505-Y514 HydrophobicContact CG2-CD2 3.99Å; I505-Y514 HydrophobicContact CG2-CE1 4.18Å; I505-Y514 HydrophobicContact CG2-CE2 4.4Å; I505-Y514 HydrophobicContact CG2-CG 3.63Å
506	E	95.3	Very high	92.9	Very high	58 Å²	58	65.6 Å²	65.6	27%	0.271	32%	0.318	S	S	.	.	H	α-helix	trans	-67.6	-10.1	177.6	-75.1	173.2	149.7	0	0	114.1	R368 K502 Q503 M504 F511	R368-E506 VanDerWaalsContact CD-O 3.28Å; R368-E506 WeakPolarHBondContact CD-O 3.44Å; R368-E506 PolarHBondContact NH1-O 2.79Å; K502-E506 WeakPolarHBondContact CE-OE1 3.22Å; K502-E506 HydrophobicContact CG-CG 4.46Å; K502-E506 WeakPolarHBondContact CG-OE2 3.24Å; K502-E506 IonicContact NZ-OE1 2.7Å; K502-E506 PolarHBondContact NZ-OE1 3Å; K502-E506 IonicContact NZ-OE2 2.68Å; K502-E506 PolarHBondContact NZ-OE2 2.78Å; K502-E506 WeakPolarHBondContact O-CB 3.39Å; K502-E506 WeakPolarHBondContact O-CG 3.3Å; K502-E506 PolarHBondContact O-N 2.94Å; Q503-E506 PolarHBondContact O-N 3.25Å; M504-E506 PolarHBondContact O-N 3.19Å; E506-F511 HydrophobicContact CG-CB 3.83Å; E506-F511 HydrophobicContact CG-CD2 4.12Å; E506-F511 HydrophobicContact CG-CG 4.16Å
507	T	95.5	Very high	93.2	Very high	45 Å²	45	62.8 Å²	62.8	28%	0.276	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-19.7	171.8	-56.6	0	0	0	0	112.6	K349 Q503 M504 I505	K349-T507 HydrophobicContact CD-CG2 4.32Å; Q503-T507 PolarHBondContact O-N 2.97Å; Q503-T507 PolarHBondContact O-OG1 2.82Å; M504-T507 VanDerWaalsContact O-CB 3.32Å; M504-T507 WeakPolarHBondContact O-CB 3.35Å; M504-T507 PolarHBondContact O-N 2.89Å; M504-T507 VanDerWaalsContact O-N 3.14Å; I505-T507 PolarHBondContact O-N 3.27Å
508	Y	97.1	Very high	93.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	-29.6	-173.6	-61.5	-79.6	0	0	0	114.5	K349 M351 R368 M409 L410 H461 M504 I505	K349-Y508 HydrophobicContact CB-CE1 4.08Å; M351-Y508 HydrophobicContact CG-CD1 3.51Å; M351-Y508 HydrophobicContact CG-CE1 4.05Å; M351-Y508 HydrophobicContact CG-CG 4.28Å; M351-Y508 HydrophobicContact SD-CD1 3.82Å; M351-Y508 HydrophobicContact SD-CG 4.23Å; R368-Y508 PolarHBondContact N-O 3.4Å; M409-Y508 VanDerWaalsContact C-OH 3.29Å; M409-Y508 PolarHBondContact O-OH 3.35Å; L410-Y508 HydrophobicContact CB-CD1 4.16Å; L410-Y508 HydrophobicContact CB-CD2 4.21Å; L410-Y508 HydrophobicContact CB-CE1 3.83Å; L410-Y508 HydrophobicContact CB-CE2 3.92Å; L410-Y508 HydrophobicContact CB-CG 4.34Å; L410-Y508 HydrophobicContact CD1-CD2 4.43Å; L410-Y508 HydrophobicContact CD1-CE2 4.3Å; L410-Y508 HydrophobicContact CD2-CD1 4.46Å; L410-Y508 HydrophobicContact CD2-CD2 4.02Å; L410-Y508 HydrophobicContact CD2-CG 4.01Å; L410-Y508 HydrophobicContact CG-CD2 4.46Å; L410-Y508 HydrophobicContact CG-CE2 4.48Å; H461-Y508 AromaticContact ND1-CE2 3.54Å; H461-Y508 AromaticContact ND1-CZ 3.71Å; H461-Y508 PolarHBondContact ND1-OH 2.88Å; M504-Y508 VanDerWaalsContact O-CD2 3.3Å; M504-Y508 WeakPolarHBondContact O-CD2 3.44Å; I505-Y508 PolarHBondContact O-N 2.84Å; I505-Y508 VanDerWaalsContact O-N 3.09Å
509	F	96.6	Very high	93.3	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.009	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-124.3	150.8	-170.8	-54.4	-78	0	0	0	112.7	M351 I363 I366 I367 R368 L410 F412 M463 I505 F511 Y514	M351-F509 HydrophobicContact CE-CD1 4.18Å; M351-F509 HydrophobicContact CE-CE1 3.31Å; M351-F509 HydrophobicContact CE-CE2 4.25Å; M351-F509 HydrophobicContact CE-CZ 3.36Å; I363-F509 HydrophobicContact CG2-CE1 3.7Å; I363-F509 HydrophobicContact CG2-CZ 4.31Å; I366-F509 HydrophobicContact CD1-CD1 3.92Å; I366-F509 HydrophobicContact CD1-CE1 4.23Å; I366-F509 HydrophobicContact CG1-CD1 3.96Å; I366-F509 HydrophobicContact CG1-CE1 4.38Å; I366-F509 WeakPolarHBondContact O-CA 3.39Å; I367-F509 HydrophobicContact CG1-CD1 4.35Å; I367-F509 HydrophobicContact CG1-CE1 4.43Å; R368-F509 WeakPolarHBondContact CG-O 3.37Å; L410-F509 HydrophobicContact CD2-CE2 3.68Å; L410-F509 HydrophobicContact CD2-CZ 3.76Å; F412-F509 HydrophobicContact CD1-CZ 4.4Å; M463-F509 HydrophobicContact CE-CE2 3.62Å; M463-F509 HydrophobicContact CE-CZ 3.91Å; M463-F509 HydrophobicContact SD-CE2 4.45Å; I505-F509 HydrophobicContact CG2-CB 4.18Å; I505-F509 HydrophobicContact CG2-CD2 4.06Å; I505-F509 PolarHBondContact O-N 2.79Å; F509-F511 PolarHBondContact O-N 3.03Å; F509-Y514 HydrophobicContact CB-CD2 4.1Å; F509-Y514 HydrophobicContact CB-CG 4.37Å; F509-Y514 HydrophobicContact CD1-CD2 4.12Å; F509-Y514 AromaticContact CD2-CD2 3.66Å; F509-Y514 HydrophobicContact CD2-CD2 3.66Å; F509-Y514 HydrophobicContact CD2-CE2 4.01Å; F509-Y514 HydrophobicContact CE1-CD2 4.46Å; F509-Y514 HydrophobicContact CE2-CD2 4.06Å; F509-Y514 AromaticContact CE2-CE2 4Å; F509-Y514 HydrophobicContact CE2-CE2 4Å; F509-Y514 AromaticContact CG-CD2 3.69Å; F509-Y514 HydrophobicContact CG-CD2 3.69Å; F509-Y514 HydrophobicContact CG-CE2 4.45Å; F509-Y514 HydrophobicContact CG-CG 4.43Å; F509-Y514 HydrophobicContact CZ-CD2 4.43Å; F509-Y514 HydrophobicContact CZ-CE2 4.41Å
510	D	94.7	Very high	92.9	Very high	58 Å²	58	58.8 Å²	58.8	31%	0.31	27%	0.27	S	S	.	.			trans	-63.9	120.1	158.2	175.6	-63.7	0	0	0	107.6	I366 R512 L513 Y514	I366-D510 PolarHBondContact O-N 2.77Å; D510-R512 PolarHBondContact O-N 2.8Å; D510-R512 VanDerWaalsContact OD1-CA 3.27Å; D510-R512 WeakPolarHBondContact OD1-CA 3.26Å; D510-R512 WeakPolarHBondContact OD1-CB 3.14Å; D510-R512 PolarHBondContact OD1-N 3.32Å; D510-L513 HydrophobicContact CB-CB 4.05Å; D510-L513 HydrophobicContact CB-CD1 4.01Å; D510-L513 HydrophobicContact CB-CG 3.99Å; D510-L513 PolarHBondContact O-N 2.82Å; D510-L513 PolarHBondContact OD1-N 3.04Å; D510-Y514 VanDerWaalsContact O-CB 3.31Å; D510-Y514 WeakPolarHBondContact O-CB 3.37Å; D510-Y514 PolarHBondContact O-N 3.44Å
511	F	92.4	Very high	92.4	Very high	64 Å²	64	55.6 Å²	55.6	28%	0.281	26%	0.255	S	S	.	.	H	α-helix	trans	-64.8	-26.2	-173.9	-175.1	-106.8	0	0	0	113.4	K502 I505 E506 F509 R515	K502-F511 HydrophobicContact CB-CE2 4.23Å; K502-F511 HydrophobicContact CD-CE1 4.38Å; K502-F511 HydrophobicContact CD-CE2 4.21Å; K502-F511 HydrophobicContact CD-CZ 3.95Å; K502-F511 HydrophobicContact CG-CD2 4.22Å; K502-F511 HydrophobicContact CG-CE2 3.75Å; K502-F511 HydrophobicContact CG-CZ 4.02Å; I505-F511 HydrophobicContact CB-CD2 4.48Å; I505-F511 HydrophobicContact CG2-CD2 3.88Å; E506-F511 HydrophobicContact CG-CB 3.83Å; E506-F511 HydrophobicContact CG-CD2 4.12Å; E506-F511 HydrophobicContact CG-CG 4.16Å; F509-F511 PolarHBondContact O-N 3.03Å; F511-R515 WeakPolarHBondContact O-CB 3.32Å; F511-R515 PolarHBondContact O-N 3.45Å; F511-R515 VanDerWaalsContact O-N 3.14Å
512	R	92	Very high	91.6	Very high	206 Å²	206	62.7 Å²	62.7	78%	0.777	29%	0.288	S	S	*	.	H	α-helix	trans	-75.4	-48.8	176	-54.8	167.4	58.4	-169.2	-4.3	110	D510 R515 L516	D510-R512 PolarHBondContact O-N 2.8Å; D510-R512 VanDerWaalsContact OD1-CA 3.27Å; D510-R512 WeakPolarHBondContact OD1-CA 3.26Å; D510-R512 WeakPolarHBondContact OD1-CB 3.14Å; D510-R512 PolarHBondContact OD1-N 3.32Å; R512-R515 PolarHBondContact O-N 3.29Å; R512-L516 WeakPolarHBondContact O-CB 3.29Å; R512-L516 PolarHBondContact O-N 3.41Å
513	L	93	Very high	90.9	Very high	37 Å²	37	61.1 Å²	61.1	19%	0.194	29%	0.287	C	S	.	.	H	α-helix	trans	-64.8	-43.4	178.2	-62.1	-176.4	0	0	0	111.2	I366 D510 R515 L516 W517 L532	I366-L513 HydrophobicContact CB-CB 3.79Å; I366-L513 HydrophobicContact CG2-CB 3.78Å; D510-L513 HydrophobicContact CB-CB 4.05Å; D510-L513 HydrophobicContact CB-CD1 4.01Å; D510-L513 HydrophobicContact CB-CG 3.99Å; D510-L513 PolarHBondContact O-N 2.82Å; D510-L513 PolarHBondContact OD1-N 3.04Å; L513-R515 PolarHBondContact O-N 3.22Å; L513-L516 WeakPolarHBondContact O-CB 3.15Å; L513-L516 PolarHBondContact O-N 2.8Å; L513-W517 WeakPolarHBondContact O-CB 3.22Å; L513-W517 PolarHBondContact O-N 3.45Å; L513-L532 HydrophobicContact CD2-CD2 4.17Å
514	Y	93.3	Very high	89.6	Confident	10 Å²	10	65 Å²	65	4%	0.039	30%	0.302	C	S	.	.	H	α-helix	trans	-55.9	-50.2	171.9	-178	-87	0	0	0	111.5	I366 M463 E496 I505 F509 D510 L516 W517 K518	I366-Y514 HydrophobicContact CD1-CD2 4.13Å; M463-Y514 HydrophobicContact CE-CE2 3.85Å; M463-Y514 HydrophobicContact SD-CE2 4.13Å; M463-Y514 PolarHBondContact SD-OH 3.23Å; M463-Y514 VanDerWaalsContact SD-OH 3.36Å; E496-Y514 PolarHBondContact OE1-OH 3.42Å; I505-Y514 HydrophobicContact CD1-CD1 4.13Å; I505-Y514 HydrophobicContact CD1-CE1 3.58Å; I505-Y514 HydrophobicContact CG1-CE1 4.12Å; I505-Y514 HydrophobicContact CG1-CE2 4.43Å; I505-Y514 HydrophobicContact CG2-CD1 3.72Å; I505-Y514 HydrophobicContact CG2-CD2 3.99Å; I505-Y514 HydrophobicContact CG2-CE1 4.18Å; I505-Y514 HydrophobicContact CG2-CE2 4.4Å; I505-Y514 HydrophobicContact CG2-CG 3.63Å; F509-Y514 HydrophobicContact CB-CD2 4.1Å; F509-Y514 HydrophobicContact CB-CG 4.37Å; F509-Y514 HydrophobicContact CD1-CD2 4.12Å; F509-Y514 AromaticContact CD2-CD2 3.66Å; F509-Y514 HydrophobicContact CD2-CD2 3.66Å; F509-Y514 HydrophobicContact CD2-CE2 4.01Å; F509-Y514 HydrophobicContact CE1-CD2 4.46Å; F509-Y514 HydrophobicContact CE2-CD2 4.06Å; F509-Y514 AromaticContact CE2-CE2 4Å; F509-Y514 HydrophobicContact CE2-CE2 4Å; F509-Y514 AromaticContact CG-CD2 3.69Å; F509-Y514 HydrophobicContact CG-CD2 3.69Å; F509-Y514 HydrophobicContact CG-CE2 4.45Å; F509-Y514 HydrophobicContact CG-CG 4.43Å; F509-Y514 HydrophobicContact CZ-CD2 4.43Å; F509-Y514 HydrophobicContact CZ-CE2 4.41Å; D510-Y514 VanDerWaalsContact O-CB 3.31Å; D510-Y514 WeakPolarHBondContact O-CB 3.37Å; D510-Y514 PolarHBondContact O-N 3.44Å; Y514-L516 VanDerWaalsContact C-N 3.3Å; Y514-L516 PolarHBondContact O-N 3.44Å; Y514-W517 HydrophobicContact CE2-CZ3 4.4Å; Y514-W517 PolarHBondContact O-N 3.32Å; Y514-K518 HydrophobicContact CD1-CB 4.46Å; Y514-K518 HydrophobicContact CE1-CB 4.27Å; Y514-K518 HydrophobicContact CE1-CD 3.98Å; Y514-K518 HydrophobicContact CE1-CG 4.23Å; Y514-K518 WeakPolarHBondContact O-CB 3.43Å; Y514-K518 PolarHBondContact O-N 2.85Å; Y514-K518 PolarHBondContact OH-NZ 3.5Å
515	R	91.3	Very high	87.8	Confident	177 Å²	177	69.8 Å²	69.8	67%	0.668	33%	0.327	S	S	*	.	H	α-helix	trans	-62.3	-37.6	179.3	-178.8	175.2	174.9	176.2	-2.2	112.2	F511 R512 L513 S519	F511-R515 WeakPolarHBondContact O-CB 3.32Å; F511-R515 PolarHBondContact O-N 3.45Å; F511-R515 VanDerWaalsContact O-N 3.14Å; R512-R515 PolarHBondContact O-N 3.29Å; L513-R515 PolarHBondContact O-N 3.22Å; R515-S519 WeakPolarHBondContact O-CB 3.16Å; R515-S519 PolarHBondContact O-N 3.37Å
516	L	90.5	Very high	85.9	Confident	58 Å²	58	76.3 Å²	76.3	30%	0.304	36%	0.361	S	S	.	.	H	α-helix	trans	-65.4	-55.4	176.3	-180	55	0	0	0	111.1	R512 L513 Y514 K518 S519 R520 V531 L532	R512-L516 WeakPolarHBondContact O-CB 3.29Å; R512-L516 PolarHBondContact O-N 3.41Å; L513-L516 WeakPolarHBondContact O-CB 3.15Å; L513-L516 PolarHBondContact O-N 2.8Å; Y514-L516 VanDerWaalsContact C-N 3.3Å; Y514-L516 PolarHBondContact O-N 3.44Å; L516-K518 PolarHBondContact O-N 2.68Å; L516-S519 PolarHBondContact O-N 2.83Å; L516-S519 VanDerWaalsContact O-N 3.17Å; L516-S519 PolarHBondContact O-OG 2.72Å; L516-R520 PolarHBondContact O-N 2.73Å; L516-R520 VanDerWaalsContact O-N 3.13Å; L516-V531 HydrophobicContact CD2-CG1 3.84Å; L516-V531 HydrophobicContact CG-CG1 4.38Å; L516-L532 HydrophobicContact CD2-CD2 4.11Å; L516-L532 HydrophobicContact CG-CD2 4.43Å
517	W	91.4	Very high	84.1	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-53.4	-50.1	173.7	172.3	95.6	0	0	0	111.4	V357 P358 K359 I363 I366 F412 L513 Y514 S519 R520 Q521 F528	V357-W517 HydrophobicContact CG1-CH2 3.76Å; V357-W517 HydrophobicContact CG1-CZ2 4.02Å; P358-W517 WeakPolarHBondContact O-CZ2 3.47Å; K359-W517 PolarHBondContact O-NE1 3.25Å; I363-W517 HydrophobicContact CD1-CH2 4.01Å; I363-W517 HydrophobicContact CD1-CZ2 3.64Å; I363-W517 HydrophobicContact CG1-CH2 4.25Å; I363-W517 HydrophobicContact CG1-CZ2 3.56Å; I366-W517 HydrophobicContact CD1-CB 4.01Å; I366-W517 HydrophobicContact CD1-CD2 3.98Å; I366-W517 HydrophobicContact CD1-CE3 4.15Å; I366-W517 HydrophobicContact CD1-CG 3.91Å; I366-W517 HydrophobicContact CG2-CB 4.17Å; F412-W517 AromaticContact CE1-CH2 3.74Å; F412-W517 HydrophobicContact CE1-CH2 3.74Å; F412-W517 HydrophobicContact CE1-CZ3 4.07Å; F412-W517 AromaticContact CZ-CH2 3.6Å; F412-W517 HydrophobicContact CZ-CH2 3.6Å; F412-W517 AromaticContact CZ-CZ3 3.94Å; F412-W517 HydrophobicContact CZ-CZ3 3.94Å; L513-W517 WeakPolarHBondContact O-CB 3.22Å; L513-W517 PolarHBondContact O-N 3.45Å; Y514-W517 HydrophobicContact CE2-CZ3 4.4Å; Y514-W517 PolarHBondContact O-N 3.32Å; W517-S519 VanDerWaalsContact C-N 3.28Å; W517-S519 PolarHBondContact O-N 3.48Å; W517-R520 CarbonylContact O-C 3.44Å; W517-R520 PolarHBondContact O-N 2.92Å; W517-Q521 PolarHBondContact O-N 2.77Å; W517-F528 AromaticContact CD1-CE1 3.84Å; W517-F528 HydrophobicContact CG-CE1 4.49Å
518	K	90.4	Very high	82.4	Confident	46 Å²	46	74 Å²	74	20%	0.2	35%	0.349	C	S	.	.	H	α-helix	trans	-59.3	-37.2	179.7	-161.3	79.7	173.5	-162.7	0	112.4	E496 Y514 L516 R520 Q521	E496-K518 IonicContact OE1-NZ 2.76Å; E496-K518 PolarHBondContact OE1-NZ 3.31Å; E496-K518 WeakPolarHBondContact OE2-CE 3.49Å; E496-K518 IonicContact OE2-NZ 3.26Å; E496-K518 PolarHBondContact OE2-NZ 3.29Å; Y514-K518 HydrophobicContact CD1-CB 4.46Å; Y514-K518 HydrophobicContact CE1-CB 4.27Å; Y514-K518 HydrophobicContact CE1-CD 3.98Å; Y514-K518 HydrophobicContact CE1-CG 4.23Å; Y514-K518 WeakPolarHBondContact O-CB 3.43Å; Y514-K518 PolarHBondContact O-N 2.85Å; Y514-K518 PolarHBondContact OH-NZ 3.5Å; L516-K518 PolarHBondContact O-N 2.68Å; K518-R520 VanDerWaalsContact C-N 3.33Å; K518-Q521 VanDerWaalsContact CD-NE2 3.33Å; K518-Q521 PolarHBondContact O-NE2 2.91Å
519	S	87.1	Confident	80.6	Confident	92 Å²	92	79.4 Å²	79.4	64%	0.643	38%	0.378	S	S	*	.	H	α-helix	trans	-69.7	-30.4	176	78.6	0	0	0	0	113	R515 L516 W517	R515-S519 WeakPolarHBondContact O-CB 3.16Å; R515-S519 PolarHBondContact O-N 3.37Å; L516-S519 PolarHBondContact O-N 2.83Å; L516-S519 VanDerWaalsContact O-N 3.17Å; L516-S519 PolarHBondContact O-OG 2.72Å; W517-S519 VanDerWaalsContact C-N 3.28Å; W517-S519 PolarHBondContact O-N 3.48Å
520	R	85.6	Confident	78.8	Confident	74 Å²	74	85.9 Å²	85.9	28%	0.279	41%	0.413	S	S	.	.	H	α-helix	trans	-99.6	-10	-176.9	-65.1	-175	176.2	-133.7	1.5	114.4	L516 W517 K518 H522 S523 D527 F528	L516-R520 PolarHBondContact O-N 2.73Å; L516-R520 VanDerWaalsContact O-N 3.13Å; W517-R520 CarbonylContact O-C 3.44Å; W517-R520 PolarHBondContact O-N 2.92Å; K518-R520 VanDerWaalsContact C-N 3.33Å; R520-H522 PolarHBondContact O-N 2.99Å; R520-S523 WeakPolarHBondContact O-CB 3.45Å; R520-S523 PolarHBondContact O-N 3.04Å; R520-D527 PolarHBondContact NH1-O 3.25Å; R520-D527 IonicContact NH1-OD2 2.76Å; R520-F528 HydrophobicContact CB-CE1 4.21Å; R520-F528 HydrophobicContact CB-CE2 3.47Å; R520-F528 VanDerWaalsContact CB-CE2 3.47Å; R520-F528 HydrophobicContact CB-CZ 3.25Å; R520-F528 HydrophobicContact CG-CE2 4.46Å; R520-F528 HydrophobicContact CG-CZ 4.46Å; R520-F528 WeakPolarHBondContact O-CZ 3.24Å
521	Q	81.1	Confident	77.1	Confident	28 Å²	28	85.5 Å²	85.5	13%	0.131	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-18.9	-171	84.6	-168.2	-83.4	0	0	115.4	P358 W517 K518	P358-Q521 HydrophobicContact CB-CB 4.31Å; P358-Q521 HydrophobicContact CB-CG 4.23Å; W517-Q521 PolarHBondContact O-N 2.77Å; K518-Q521 VanDerWaalsContact CD-NE2 3.33Å; K518-Q521 PolarHBondContact O-NE2 2.91Å
522	H	77.9	Confident	75.4	Confident	149 Å²	149	85.2 Å²	85.2	69%	0.69	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	7.1	176.7	-59.8	-36.4	0	0	0	113	R520	R520-H522 PolarHBondContact O-N 2.99Å
523	S	78.2	Confident	74.6	Confident	49 Å²	49	79.2 Å²	79.2	34%	0.343	40%	0.395	S	S	.	.			trans	-68.9	145.8	172.8	-165.9	0	0	0	0	110.2	R520 L525	R520-S523 WeakPolarHBondContact O-CB 3.45Å; R520-S523 PolarHBondContact O-N 3.04Å; S523-L525 WeakPolarHBondContact OG-CB 3.5Å; S523-L525 PolarHBondContact OG-N 2.9Å
524	K	67.1	Low	73.6	Confident	203 Å²	203	81.4 Å²	81.4	88%	0.883	41%	0.406	S	S	*	.			trans	-91.7	-9.7	172.4	-64.5	-174.5	178.2	-176.2	0	113
525	L	58.2	Low	72.5	Confident	106 Å²	106	85.4 Å²	85.4	56%	0.555	43%	0.426	S	S	*	.			trans	-66.8	136	171.9	-76.5	166.7	0	0	0	108.8	S523 D527	S523-L525 WeakPolarHBondContact OG-CB 3.5Å; S523-L525 PolarHBondContact OG-N 2.9Å; L525-D527 VanDerWaalsContact CB-OD1 3.3Å; L525-D527 WeakPolarHBondContact CB-OD1 3.18Å
526	L	55	Low	71.4	Confident	140 Å²	140	80 Å²	80	73%	0.733	41%	0.412	S	S	*	.			trans	-85.6	-21.3	-174.2	-70.4	168.5	0	0	0	111.6	F528	L526-F528 PolarHBondContact O-N 3.09Å
527	D	58.9	Low	70.2	Confident	54 Å²	54	81.4 Å²	81.4	29%	0.289	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	70.1	174.5	33.1	-65.2	0	0	0	113.3	R520 L525	R520-D527 PolarHBondContact NH1-O 3.25Å; R520-D527 IonicContact NH1-OD2 2.76Å; L525-D527 VanDerWaalsContact CB-OD1 3.3Å; L525-D527 WeakPolarHBondContact CB-OD1 3.18Å
528	F	58.6	Low	68.8	Low	2 Å²	2	86.8 Å²	86.8	1%	0.009	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-38.5	162.1	-93.2	-114.6	0	0	0	110.1	K359 Y362 W517 R520 L526 D530 V531 L532	K359-F528 HydrophobicContact CD-CD1 4.03Å; K359-F528 HydrophobicContact CD-CD2 4.04Å; K359-F528 HydrophobicContact CD-CE1 3.58Å; K359-F528 HydrophobicContact CD-CE2 3.53Å; K359-F528 HydrophobicContact CD-CG 4.24Å; K359-F528 HydrophobicContact CD-CZ 3.27Å; K359-F528 VanDerWaalsContact NZ-CE2 3.32Å; Y362-F528 HydrophobicContact CD1-CB 4.04Å; Y362-F528 HydrophobicContact CD1-CD1 4.08Å; Y362-F528 HydrophobicContact CD2-CD1 4.16Å; Y362-F528 HydrophobicContact CE1-CB 3.59Å; Y362-F528 HydrophobicContact CE1-CD1 4.42Å; Y362-F528 HydrophobicContact CE1-CG 4.43Å; Y362-F528 HydrophobicContact CE2-CB 4.27Å; Y362-F528 HydrophobicContact CE2-CD1 4.5Å; Y362-F528 AromaticContact CG-CD1 3.93Å; Y362-F528 HydrophobicContact CG-CD1 3.93Å; W517-F528 AromaticContact CD1-CE1 3.84Å; W517-F528 HydrophobicContact CG-CE1 4.49Å; R520-F528 HydrophobicContact CB-CE1 4.21Å; R520-F528 HydrophobicContact CB-CE2 3.47Å; R520-F528 VanDerWaalsContact CB-CE2 3.47Å; R520-F528 HydrophobicContact CB-CZ 3.25Å; R520-F528 HydrophobicContact CG-CE2 4.46Å; R520-F528 HydrophobicContact CG-CZ 4.46Å; R520-F528 WeakPolarHBondContact O-CZ 3.24Å; L526-F528 PolarHBondContact O-N 3.09Å; F528-D530 PolarHBondContact O-N 3.2Å; F528-V531 PolarHBondContact O-N 2.79Å; F528-L532 HydrophobicContact CD1-CD1 3.78Å; F528-L532 HydrophobicContact CE1-CD1 4.35Å; F528-L532 PolarHBondContact O-N 2.97Å
529	D	59.7	Low	67.2	Low	113 Å²	113	89.7 Å²	89.7	60%	0.604	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-31.2	179.6	-49.1	-39.9	0	0	0	111.4	Y362 V531	Y362-D529 WeakPolarHBondContact CE1-OD1 3.21Å; Y362-D529 VanDerWaalsContact CZ-OD1 3.28Å; Y362-D529 PolarHBondContact OH-OD1 3.19Å; D529-V531 VanDerWaalsContact C-N 3.29Å; D529-V531 PolarHBondContact O-N 3.46Å
530	D	58.6	Low	65.7	Low	138 Å²	138	89.5 Å²	89.5	74%	0.738	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	2.9	175.5	-47.4	-62.1	0	0	0	114.4	F528	F528-D530 PolarHBondContact O-N 3.2Å
531	V	59.1	Low	64	Low	50 Å²	50	90.8 Å²	90.8	30%	0.303	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.9	-9.9	-159.4	177.8	0	0	0	0	116.1	L516 F528 D529	L516-V531 HydrophobicContact CD2-CG1 3.84Å; L516-V531 HydrophobicContact CG-CG1 4.38Å; F528-V531 PolarHBondContact O-N 2.79Å; D529-V531 VanDerWaalsContact C-N 3.29Å; D529-V531 PolarHBondContact O-N 3.46Å
532	L	56.2	Low	62.5	Low	58 Å²	58	96.5 Å²	96.5	30%	0.304	50%	0.495	S	S	.	.			trans	-130.1	0	-176.3	-65.7	-179.8	0	0	0	114.1	Y362 I366 R369 L513 L516 F528	Y362-L532 HydrophobicContact CD1-CD1 4.35Å; I366-L532 HydrophobicContact CG2-CD1 3.96Å; I366-L532 HydrophobicContact CG2-CD2 3.97Å; R369-L532 PolarHBondContact NH2-O 3.07Å; L513-L532 HydrophobicContact CD2-CD2 4.17Å; L516-L532 HydrophobicContact CD2-CD2 4.11Å; L516-L532 HydrophobicContact CG-CD2 4.43Å; F528-L532 HydrophobicContact CD1-CD1 3.78Å; F528-L532 HydrophobicContact CE1-CD1 4.35Å; F528-L532 PolarHBondContact O-N 2.97Å

Retrieved 532 of 532 residues in 718.5 ms (Link to these results)

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