A0A077ZDL0_TRITR Loading...

Origin recognition complex subunit 3

AlphaFold DB , UniProt , Accession A0A077ZDL0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 626 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	29.7	Very low	32.6	Very low	207 Å²	207	116.1 Å²	116.1	100%	1.02	62%	0.617	S	S	*	*				0	116.4	0	-74.2	-178.4	55.3	0	0	107.2
2	S	30.4	Very low	32.7	Very low	72 Å²	72	110 Å²	110	50%	0.503	60%	0.603	S	S	.	*			trans	-71.6	142.1	178.2	51.4	0	0	0	0	109.6	S4 E5	S2-S4 PolarHBondContact O-N 3.17Å; S2-S4 PolarHBondContact OG-OG 2.98Å; S2-E5 PolarHBondContact O-N 3.16Å; S2-E5 VanDerWaalsContact O-N 3.12Å
3	D	30.2	Very low	33.3	Very low	159 Å²	159	106.5 Å²	106.5	85%	0.85	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	-7.3	178.4	-72	-41.7	0	0	0	114.3
4	S	30.5	Very low	34.1	Very low	95 Å²	95	100.9 Å²	100.9	66%	0.664	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-18.5	174.9	56.9	0	0	0	0	115.1	S2	S2-S4 PolarHBondContact O-N 3.17Å; S2-S4 PolarHBondContact OG-OG 2.98Å
5	E	30.5	Very low	34.5	Very low	118 Å²	118	98 Å²	98	55%	0.551	55%	0.55	S	S	*	.	S	Bend	trans	-89.3	-8.3	-178.4	-70.3	-177.9	151.3	0	0	113.9	S2 F7	S2-E5 PolarHBondContact O-N 3.16Å; S2-E5 VanDerWaalsContact O-N 3.12Å; E5-F7 VanDerWaalsContact C-N 3.26Å; E5-F7 PolarHBondContact O-N 3.25Å; E5-F7 VanDerWaalsContact O-N 3.14Å
6	A	29.6	Very low	34.8	Very low	49 Å²	49	102.6 Å²	102.6	41%	0.405	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.8	1.2	-169	0	0	0	0	0	115.8
7	F	33.2	Very low	35.7	Very low	85 Å²	85	99 Å²	99	37%	0.373	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	4.5	-179.2	-106.5	-85.9	0	0	0	115.6	E5 F9 C279 R281	E5-F7 VanDerWaalsContact C-N 3.26Å; E5-F7 PolarHBondContact O-N 3.25Å; E5-F7 VanDerWaalsContact O-N 3.14Å; F7-F9 VanDerWaalsContact C-N 3.26Å; F7-F9 PolarHBondContact O-N 3.39Å; F7-C279 WeakPolarHBondContact CZ-O 3.39Å; F7-R281 HydrophobicContact CE2-CG 4.27Å
8	H	31.8	Very low	36.7	Very low	166 Å²	166	101.5 Å²	101.5	77%	0.769	54%	0.535	S	S	*	.			trans	-88	29.4	174.7	-75.2	-55.2	0	0	0	114.6	F10	H8-F10 PolarHBondContact O-N 2.94Å
9	F	35.1	Very low	38.1	Very low	157 Å²	157	103.6 Å²	103.6	69%	0.689	54%	0.539	S	S	*	.			trans	-81.5	119.9	173.5	-109.5	-94.8	0	0	0	111	F7	F7-F9 VanDerWaalsContact C-N 3.26Å; F7-F9 PolarHBondContact O-N 3.39Å
10	F	39.7	Very low	39.9	Very low	63 Å²	63	103.5 Å²	103.5	28%	0.276	53%	0.534	S	S	.	.			trans	95.3	83	173.8	-73.1	-96.3	0	0	0	119.3	H8 T13 I14 Y296 I534	H8-F10 PolarHBondContact O-N 2.94Å; F10-T13 HydrophobicContact CE1-CG2 4.47Å; F10-T13 VanDerWaalsContact CE1-OG1 3.31Å; F10-T13 WeakPolarHBondContact CE1-OG1 3.49Å; F10-I14 HydrophobicContact CB-CD1 4.19Å; F10-I14 HydrophobicContact CD1-CD1 4.04Å; F10-I14 HydrophobicContact CD1-CG1 3.93Å; F10-I14 HydrophobicContact CG-CD1 4.42Å; F10-Y296 HydrophobicContact CE1-CD2 4.41Å; F10-Y296 HydrophobicContact CE1-CE2 4.06Å; F10-Y296 HydrophobicContact CZ-CE2 4Å; F10-I534 HydrophobicContact CE2-CG2 4.18Å; F10-I534 HydrophobicContact CZ-CG2 4.37Å
11	P	38.3	Very low	41.4	Very low	106 Å²	106	105.4 Å²	105.4	69%	0.688	54%	0.541	S	S	*	.	S	Bend	trans	-111.7	-22	139.8	-4	23.3	0	0	0	113.7	A15	P11-A15 WeakPolarHBondContact O-CB 3.32Å
12	G	33.9	Very low	43.3	Very low	43 Å²	43	99.1 Å²	99.1	44%	0.443	51%	0.51	S	S	.	.	H	α-helix	trans	-78.4	-42.2	-166.4	0	0	0	0	0	115.7	R16	G12-R16 WeakPolarHBondContact O-CG 3.48Å
13	T	40	Very low	45	Very low	65 Å²	65	95.7 Å²	95.7	40%	0.399	49%	0.487	S	S	.	.	H	α-helix	trans	-86.9	-42.3	-167.9	-22.2	0	0	0	0	112.4	F10 A15 R16 F17	F10-T13 HydrophobicContact CE1-CG2 4.47Å; F10-T13 VanDerWaalsContact CE1-OG1 3.31Å; F10-T13 WeakPolarHBondContact CE1-OG1 3.49Å; T13-A15 VanDerWaalsContact C-N 3.31Å; T13-A15 PolarHBondContact O-N 3.01Å; T13-R16 WeakPolarHBondContact O-CB 3.44Å; T13-R16 PolarHBondContact O-N 3.22Å; T13-R16 VanDerWaalsContact O-N 3.12Å; T13-F17 HydrophobicContact CG2-CE2 4.02Å; T13-F17 VanDerWaalsContact O-CD2 3.25Å; T13-F17 WeakPolarHBondContact O-CD2 3.19Å; T13-F17 PolarHBondContact O-N 3.09Å
14	I	43.8	Very low	46.7	Very low	27 Å²	27	88.8 Å²	88.8	14%	0.138	45%	0.45	C	S	.	.	H	α-helix	trans	-64.3	-38	178.2	-63.5	167.7	0	0	0	110.6	F10 R16 F17 R18 L295 Y296 L299	F10-I14 HydrophobicContact CB-CD1 4.19Å; F10-I14 HydrophobicContact CD1-CD1 4.04Å; F10-I14 HydrophobicContact CD1-CG1 3.93Å; F10-I14 HydrophobicContact CG-CD1 4.42Å; I14-R16 VanDerWaalsContact C-N 3.26Å; I14-R16 PolarHBondContact O-N 3.5Å; I14-F17 PolarHBondContact O-N 2.9Å; I14-R18 PolarHBondContact O-N 3.11Å; I14-L295 HydrophobicContact CG2-CD2 3.95Å; I14-L295 HydrophobicContact CG2-CG 4.45Å; I14-Y296 HydrophobicContact CD1-CD2 4.21Å; I14-Y296 HydrophobicContact CG1-CD2 4.43Å; I14-L299 HydrophobicContact CG1-CD2 4.33Å
15	A	41.1	Very low	48.6	Very low	58 Å²	58	89.9 Å²	89.9	48%	0.479	44%	0.442	S	S	.	.	H	α-helix	trans	-61.3	-33.8	175.4	0	0	0	0	0	112.5	P11 T13	P11-A15 WeakPolarHBondContact O-CB 3.32Å; T13-A15 VanDerWaalsContact C-N 3.31Å; T13-A15 PolarHBondContact O-N 3.01Å
16	R	39.5	Very low	50.2	Low	171 Å²	171	86 Å²	86	65%	0.645	43%	0.43	S	S	*	.	H	α-helix	trans	-69.4	-40	177.2	-71.1	173	-177.7	-170.6	0.9	111.9	G12 T13 I14 R18 K19 L22	G12-R16 WeakPolarHBondContact O-CG 3.48Å; T13-R16 WeakPolarHBondContact O-CB 3.44Å; T13-R16 PolarHBondContact O-N 3.22Å; T13-R16 VanDerWaalsContact O-N 3.12Å; I14-R16 VanDerWaalsContact C-N 3.26Å; I14-R16 PolarHBondContact O-N 3.5Å; R16-R18 PolarHBondContact O-N 3.33Å; R16-K19 WeakPolarHBondContact O-CB 3.49Å; R16-K19 PolarHBondContact O-N 3.29Å; R16-K19 VanDerWaalsContact O-N 3.08Å; R16-L22 HydrophobicContact CB-CD1 4.11Å; R16-L22 WeakPolarHBondContact O-CD1 3.35Å
17	F	49.8	Very low	52	Low	42 Å²	42	83.7 Å²	83.7	18%	0.184	41%	0.411	C	S	.	.	H	α-helix	trans	-73.3	-9.9	179.6	-73.5	-70.8	0	0	0	114.9	T13 I14 K19 F23 A26 L299	T13-F17 HydrophobicContact CG2-CE2 4.02Å; T13-F17 VanDerWaalsContact O-CD2 3.25Å; T13-F17 WeakPolarHBondContact O-CD2 3.19Å; T13-F17 PolarHBondContact O-N 3.09Å; I14-F17 PolarHBondContact O-N 2.9Å; F17-K19 PolarHBondContact O-N 3.49Å; F17-F23 HydrophobicContact CB-CD2 4.42Å; F17-F23 HydrophobicContact CD1-CB 4.46Å; F17-F23 HydrophobicContact CD1-CD2 4.15Å; F17-A26 HydrophobicContact CE1-CB 3.91Å; F17-L299 HydrophobicContact CB-CD1 3.76Å; F17-L299 HydrophobicContact CB-CD2 4.23Å; F17-L299 HydrophobicContact CD2-CD2 3.9Å; F17-L299 HydrophobicContact CG-CD1 4.16Å; F17-L299 HydrophobicContact CG-CD2 4.26Å
18	R	53.8	Low	53.2	Low	144 Å²	144	84.7 Å²	84.7	54%	0.543	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-14.5	165.8	-68	-175.5	177.4	-177.9	0.6	112.9	I14 R16 Y41	I14-R18 PolarHBondContact O-N 3.11Å; R16-R18 PolarHBondContact O-N 3.33Å; R18-Y41 PolarHBondContact O-OH 3.41Å; R18-Y41 VanDerWaalsContact O-OH 3.07Å
19	K	63.6	Low	54.1	Low	142 Å²	142	85.9 Å²	85.9	62%	0.617	42%	0.42	S	S	*	.	S	Bend	trans	-84.2	113.1	172.6	-62.7	-173.8	177.3	-175	0	109.5	R16 F17 E21 L22 F23	R16-K19 WeakPolarHBondContact O-CB 3.49Å; R16-K19 PolarHBondContact O-N 3.29Å; R16-K19 VanDerWaalsContact O-N 3.08Å; F17-K19 PolarHBondContact O-N 3.49Å; K19-E21 PolarHBondContact O-N 3.42Å; K19-E21 VanDerWaalsContact O-N 3.1Å; K19-L22 HydrophobicContact CB-CB 4.39Å; K19-L22 HydrophobicContact CB-CD1 4.13Å; K19-L22 HydrophobicContact CB-CG 4.23Å; K19-L22 HydrophobicContact CD-CD1 4.08Å; K19-L22 PolarHBondContact O-N 2.87Å; K19-F23 PolarHBondContact O-N 3.23Å
20	K	73.5	Confident	55.1	Low	100 Å²	100	81.5 Å²	81.5	44%	0.435	41%	0.409	S	S	.	.	H	α-helix	trans	-43	-45.8	178.4	178.8	176.5	178	-172.4	0	113.8	F23 I24 Y41	K20-F23 PolarHBondContact O-N 2.89Å; K20-I24 HydrophobicContact CD-CD1 4.31Å; K20-I24 HydrophobicContact CG-CD1 3.6Å; K20-I24 HydrophobicContact CG-CG1 4.38Å; K20-I24 WeakPolarHBondContact O-CB 3.25Å; K20-I24 VanDerWaalsContact O-CG1 3.28Å; K20-I24 WeakPolarHBondContact O-CG1 3.12Å; K20-I24 PolarHBondContact O-N 2.99Å; K20-Y41 VanDerWaalsContact CA-CZ 3.41Å; K20-Y41 WeakPolarHBondContact CA-OH 3.45Å; K20-Y41 HydrophobicContact CB-CD1 4.16Å; K20-Y41 HydrophobicContact CB-CE1 3.48Å; K20-Y41 VanDerWaalsContact CB-CE1 3.48Å; K20-Y41 HydrophobicContact CB-CE2 4.48Å; K20-Y41 HydrophobicContact CD-CD1 4.27Å; K20-Y41 HydrophobicContact CD-CE1 4.06Å; K20-Y41 HydrophobicContact CG-CD1 3.73Å; K20-Y41 HydrophobicContact CG-CE1 3.54Å; K20-Y41 HydrophobicContact CG-CG 4.5Å; K20-Y41 PolarHBondContact N-OH 3.25Å
21	E	72.2	Confident	56	Low	145 Å²	145	79.1 Å²	79.1	68%	0.678	40%	0.399	S	S	*	.	H	α-helix	trans	-64.4	-41	-178.1	-66.3	172.6	-171.2	0	0	112.9	K19 K25	K19-E21 PolarHBondContact O-N 3.42Å; K19-E21 VanDerWaalsContact O-N 3.1Å; E21-K25 VanDerWaalsContact O-CB 3.24Å; E21-K25 WeakPolarHBondContact O-CB 3.48Å; E21-K25 WeakPolarHBondContact O-CG 3.14Å; E21-K25 PolarHBondContact O-N 2.93Å
22	L	67.9	Low	57.3	Low	74 Å²	74	77.1 Å²	77.1	39%	0.387	40%	0.398	S	S	.	.	H	α-helix	trans	-70.1	-38.9	180	-68	179.1	0	0	0	111.2	R16 K19 A26	R16-L22 HydrophobicContact CB-CD1 4.11Å; R16-L22 WeakPolarHBondContact O-CD1 3.35Å; K19-L22 HydrophobicContact CB-CB 4.39Å; K19-L22 HydrophobicContact CB-CD1 4.13Å; K19-L22 HydrophobicContact CB-CG 4.23Å; K19-L22 HydrophobicContact CD-CD1 4.08Å; K19-L22 PolarHBondContact O-N 2.87Å; L22-A26 WeakPolarHBondContact O-CB 3.4Å; L22-A26 PolarHBondContact O-N 3.08Å
23	F	67.4	Low	59.3	Low	1 Å²	1	77.8 Å²	77.8	0%	0.004	39%	0.394	C	S	.	.	H	α-helix	trans	-65.4	-49.7	175.4	-169.8	-85.7	0	0	0	111.6	F17 K19 K20 K25 A26 L27 Y41 F44 L299 F302	F17-F23 HydrophobicContact CB-CD2 4.42Å; F17-F23 HydrophobicContact CD1-CB 4.46Å; F17-F23 HydrophobicContact CD1-CD2 4.15Å; K19-F23 PolarHBondContact O-N 3.23Å; K20-F23 PolarHBondContact O-N 2.89Å; F23-K25 VanDerWaalsContact C-N 3.35Å; F23-K25 PolarHBondContact O-N 3.31Å; F23-A26 WeakPolarHBondContact O-CB 3.27Å; F23-A26 PolarHBondContact O-N 3.03Å; F23-A26 VanDerWaalsContact O-N 3.14Å; F23-L27 HydrophobicContact CD1-CD1 3.57Å; F23-L27 HydrophobicContact CD1-CG 4.21Å; F23-L27 HydrophobicContact CE1-CD1 3.26Å; F23-L27 HydrophobicContact CE1-CG 4.1Å; F23-L27 HydrophobicContact CZ-CD1 4.2Å; F23-L27 WeakPolarHBondContact O-CG 3.38Å; F23-L27 PolarHBondContact O-N 2.89Å; F23-Y41 HydrophobicContact CB-CD2 3.65Å; F23-Y41 HydrophobicContact CB-CE2 3.82Å; F23-Y41 AromaticContact CD1-CD2 3.31Å; F23-Y41 HydrophobicContact CD1-CD2 3.31Å; F23-Y41 HydrophobicContact CD1-CE2 4.29Å; F23-Y41 AromaticContact CD1-CG 3.94Å; F23-Y41 HydrophobicContact CD1-CG 3.94Å; F23-Y41 HydrophobicContact CD2-CD2 4.16Å; F23-Y41 AromaticContact CE1-CD2 3.85Å; F23-Y41 HydrophobicContact CE1-CD2 3.85Å; F23-Y41 HydrophobicContact CE1-CG 4.36Å; F23-Y41 AromaticContact CG-CD2 3.45Å; F23-Y41 HydrophobicContact CG-CD2 3.45Å; F23-Y41 VanDerWaalsContact CG-CD2 3.45Å; F23-Y41 AromaticContact CG-CE2 3.99Å; F23-Y41 HydrophobicContact CG-CE2 3.99Å; F23-Y41 HydrophobicContact CG-CG 4.45Å; F23-F44 HydrophobicContact CD2-CD1 4.46Å; F23-F44 HydrophobicContact CE2-CD1 4.03Å; F23-F44 HydrophobicContact CE2-CE1 4.32Å; F23-F44 HydrophobicContact CE2-CG 4.34Å; F23-F44 HydrophobicContact CZ-CB 4.33Å; F23-F44 HydrophobicContact CZ-CD1 4.29Å; F23-F44 HydrophobicContact CZ-CG 4.31Å; F23-L299 HydrophobicContact CD2-CD1 4.06Å; F23-L299 HydrophobicContact CE2-CD1 3.75Å; F23-F302 HydrophobicContact CZ-CB 4.13Å; F23-F302 WeakPolarHBondContact CZ-O 3.45Å
24	I	66.6	Low	61.3	Low	14 Å²	14	79 Å²	79	7%	0.072	40%	0.397	C	S	.	.	H	α-helix	trans	-62.4	-42.5	178.7	-67.3	172.3	0	0	0	110.8	K20 A26 L27 Q28 A37 K38	K20-I24 HydrophobicContact CD-CD1 4.31Å; K20-I24 HydrophobicContact CG-CD1 3.6Å; K20-I24 HydrophobicContact CG-CG1 4.38Å; K20-I24 WeakPolarHBondContact O-CB 3.25Å; K20-I24 VanDerWaalsContact O-CG1 3.28Å; K20-I24 WeakPolarHBondContact O-CG1 3.12Å; K20-I24 PolarHBondContact O-N 2.99Å; I24-A26 VanDerWaalsContact C-N 3.28Å; I24-A26 PolarHBondContact O-N 2.89Å; I24-L27 WeakPolarHBondContact O-CB 3.5Å; I24-L27 PolarHBondContact O-N 3.34Å; I24-Q28 HydrophobicContact CG2-CG 4.35Å; I24-Q28 WeakPolarHBondContact O-CG 3.48Å; I24-Q28 PolarHBondContact O-N 2.88Å; I24-A37 HydrophobicContact CG2-CB 4.44Å; I24-K38 HydrophobicContact CD1-CG 3.93Å
25	K	69.1	Low	63.3	Low	118 Å²	118	82 Å²	82	51%	0.513	41%	0.411	S	S	.	.	H	α-helix	trans	-59.9	-37.7	175.2	-78.5	176.5	178.9	-178.1	0	112.5	E21 F23 L27 Q28	E21-K25 VanDerWaalsContact O-CB 3.24Å; E21-K25 WeakPolarHBondContact O-CB 3.48Å; E21-K25 WeakPolarHBondContact O-CG 3.14Å; E21-K25 PolarHBondContact O-N 2.93Å; F23-K25 VanDerWaalsContact C-N 3.35Å; F23-K25 PolarHBondContact O-N 3.31Å; K25-L27 PolarHBondContact O-N 3.08Å; K25-Q28 PolarHBondContact O-N 2.9Å
26	A	64.6	Low	65.5	Low	36 Å²	36	80.2 Å²	80.2	30%	0.298	39%	0.393	S	S	.	.	H	α-helix	trans	-67.6	-22.5	175.8	0	0	0	0	0	113.2	F17 L22 F23 I24	F17-A26 HydrophobicContact CE1-CB 3.91Å; L22-A26 WeakPolarHBondContact O-CB 3.4Å; L22-A26 PolarHBondContact O-N 3.08Å; F23-A26 WeakPolarHBondContact O-CB 3.27Å; F23-A26 PolarHBondContact O-N 3.03Å; F23-A26 VanDerWaalsContact O-N 3.14Å; I24-A26 VanDerWaalsContact C-N 3.28Å; I24-A26 PolarHBondContact O-N 2.89Å
27	L	67.2	Low	67.6	Low	1 Å²	1	72.2 Å²	72.2	1%	0.005	36%	0.363	C	S	.	.	H	α-helix	trans	-91.8	-23.1	177.7	-67.2	178.8	0	0	0	114	F23 I24 K25 F29 S30 E31 A37 R303	F23-L27 HydrophobicContact CD1-CD1 3.57Å; F23-L27 HydrophobicContact CD1-CG 4.21Å; F23-L27 HydrophobicContact CE1-CD1 3.26Å; F23-L27 HydrophobicContact CE1-CG 4.1Å; F23-L27 HydrophobicContact CZ-CD1 4.2Å; F23-L27 WeakPolarHBondContact O-CG 3.38Å; F23-L27 PolarHBondContact O-N 2.89Å; I24-L27 WeakPolarHBondContact O-CB 3.5Å; I24-L27 PolarHBondContact O-N 3.34Å; K25-L27 PolarHBondContact O-N 3.08Å; L27-F29 PolarHBondContact O-N 3.49Å; L27-S30 PolarHBondContact O-N 3.3Å; L27-E31 HydrophobicContact CB-CG 4.17Å; L27-E31 WeakPolarHBondContact CD1-OE2 3.33Å; L27-E31 HydrophobicContact CD2-CG 4.37Å; L27-E31 PolarHBondContact O-N 2.84Å; L27-A37 HydrophobicContact CB-CB 4.18Å; L27-A37 HydrophobicContact CD1-CB 4.25Å; L27-R303 VanDerWaalsContact CD2-O 3.28Å; L27-R303 WeakPolarHBondContact CD2-O 3.48Å
28	Q	57.7	Low	69.4	Low	105 Å²	105	74.4 Å²	74.4	49%	0.491	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.8	-173.4	-86.4	173.5	-13.6	0	0	114.3	I24 K25	I24-Q28 HydrophobicContact CG2-CG 4.35Å; I24-Q28 WeakPolarHBondContact O-CG 3.48Å; I24-Q28 PolarHBondContact O-N 2.88Å; K25-Q28 PolarHBondContact O-N 2.9Å
29	F	52.4	Low	71.2	Confident	192 Å²	192	67.6 Å²	67.6	84%	0.842	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-11.2	177.5	-64.7	-77.2	0	0	0	113.7	L27	L27-F29 PolarHBondContact O-N 3.49Å
30	S	55.7	Low	72.4	Confident	65 Å²	65	60.9 Å²	60.9	46%	0.455	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-36.8	-171.3	-40.8	0	0	0	0	111.8	L27	L27-S30 PolarHBondContact O-N 3.3Å
31	E	57.8	Low	73.1	Confident	13 Å²	13	57.2 Å²	57.2	6%	0.061	30%	0.301	C	S	.	.			trans	-112.2	127.7	-166	-47.8	-160	127.4	0	0	111.3	L27 A37 R40 E306	L27-E31 HydrophobicContact CB-CG 4.17Å; L27-E31 WeakPolarHBondContact CD1-OE2 3.33Å; L27-E31 HydrophobicContact CD2-CG 4.37Å; L27-E31 PolarHBondContact O-N 2.84Å; E31-A37 WeakPolarHBondContact OE2-CA 3.24Å; E31-A37 WeakPolarHBondContact OE2-CB 3.35Å; E31-R40 WeakPolarHBondContact OE1-CD 3.41Å; E31-R40 IonicContact OE1-CZ 2.73Å; E31-R40 VanDerWaalsContact OE1-CZ 3.29Å; E31-R40 IonicContact OE1-NE 2.72Å; E31-R40 PolarHBondContact OE1-NE 3.37Å; E31-R40 IonicContact OE1-NH1 2.76Å; E31-R40 PolarHBondContact OE1-NH1 3.44Å; E31-E306 HydrophobicContact CG-CG 4.06Å
32	G	65	Low	74	Confident	64 Å²	64	55.9 Å²	55.9	66%	0.66	29%	0.29	S	S	*	.	S	Bend	trans	-52.6	-103.2	-175.6	0	0	0	0	0	115.5	I34	G32-I34 PolarHBondContact O-N 3.33Å
33	P	76.5	Confident	75.3	Confident	57 Å²	57	52.3 Å²	52.3	37%	0.37	27%	0.272	S	S	.	.	S	Bend	trans	-63.4	135.7	-177.8	-24.2	34.2	0	0	0	113	E35 L36 K327	P33-E35 PolarHBondContact O-N 3.19Å; P33-L36 WeakPolarHBondContact O-CB 3.18Å; P33-L36 PolarHBondContact O-N 3.12Å; P33-K327 HydrophobicContact CB-CD 4.11Å; P33-K327 HydrophobicContact CG-CD 4.13Å
34	I	83	Confident	76.5	Confident	90 Å²	90	53 Å²	53	46%	0.462	27%	0.274	S	S	.	.	H	α-helix	trans	-53.5	-25.6	177.8	-164.7	167.4	0	0	0	114.1	G32 A37 K38	G32-I34 PolarHBondContact O-N 3.33Å; I34-A37 PolarHBondContact O-N 3.47Å; I34-K38 WeakPolarHBondContact O-CG 3.3Å; I34-K38 PolarHBondContact O-N 3.29Å
35	E	85.1	Confident	77.7	Confident	91 Å²	91	59 Å²	59	43%	0.425	30%	0.296	S	S	.	.	H	α-helix	trans	-63.9	-38	174.7	-74.9	176.4	-161.4	0	0	112.7	P33 K38 L39 K327	P33-E35 PolarHBondContact O-N 3.19Å; E35-K38 PolarHBondContact O-N 3.32Å; E35-L39 WeakPolarHBondContact O-CB 3.32Å; E35-L39 PolarHBondContact O-N 2.95Å; E35-K327 IonicContact OE1-NZ 3.66Å; E35-K327 PolarHBondContact OE1-NZ 2.89Å; E35-K327 IonicContact OE2-NZ 3.47Å; E35-K327 PolarHBondContact OE2-NZ 3.31Å
36	L	86.2	Confident	78.9	Confident	20 Å²	20	53.9 Å²	53.9	11%	0.105	28%	0.275	C	S	.	.	H	α-helix	trans	-67.5	-43.1	177.4	-62.5	-177.8	0	0	0	110.7	P33 K38 L39 R40 V309 I323 K327 V329	P33-L36 WeakPolarHBondContact O-CB 3.18Å; P33-L36 PolarHBondContact O-N 3.12Å; L36-K38 VanDerWaalsContact C-N 3.31Å; L36-K38 PolarHBondContact O-N 3.45Å; L36-L39 PolarHBondContact O-N 2.93Å; L36-R40 WeakPolarHBondContact O-CB 3.5Å; L36-R40 PolarHBondContact O-N 3.31Å; L36-V309 HydrophobicContact CD2-CG2 4.18Å; L36-I323 HydrophobicContact CD2-CG2 3.89Å; L36-K327 HydrophobicContact CD2-CB 4.27Å; L36-V329 HydrophobicContact CD1-CG2 3.79Å; L36-V329 HydrophobicContact CD2-CG2 4.37Å
37	A	84.1	Confident	80.3	Confident	2 Å²	2	52.1 Å²	52.1	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-38.9	175.1	0	0	0	0	0	112.5	I24 L27 E31 I34 Y41	I24-A37 HydrophobicContact CG2-CB 4.44Å; L27-A37 HydrophobicContact CB-CB 4.18Å; L27-A37 HydrophobicContact CD1-CB 4.25Å; E31-A37 WeakPolarHBondContact OE2-CA 3.24Å; E31-A37 WeakPolarHBondContact OE2-CB 3.35Å; I34-A37 PolarHBondContact O-N 3.47Å; A37-Y41 PolarHBondContact O-N 2.91Å; A37-Y41 VanDerWaalsContact O-N 3.07Å
38	K	88.3	Confident	81.5	Confident	89 Å²	89	52.8 Å²	52.8	39%	0.387	27%	0.265	S	S	.	.	H	α-helix	trans	-64.8	-44	173.7	-75.9	173.2	-179.9	176.1	0	111.9	I24 I34 E35 L36 Y41 R42	I24-K38 HydrophobicContact CD1-CG 3.93Å; I34-K38 WeakPolarHBondContact O-CG 3.3Å; I34-K38 PolarHBondContact O-N 3.29Å; E35-K38 PolarHBondContact O-N 3.32Å; L36-K38 VanDerWaalsContact C-N 3.31Å; L36-K38 PolarHBondContact O-N 3.45Å; K38-Y41 PolarHBondContact O-N 3.12Å; K38-R42 WeakPolarHBondContact O-CG 3.41Å; K38-R42 PolarHBondContact O-N 2.97Å
39	L	90.3	Very high	83.1	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-45	177.8	176.6	59.5	0	0	0	111.2	E35 L36 Y41 R42 N43 V309 E319 A320 I323	E35-L39 WeakPolarHBondContact O-CB 3.32Å; E35-L39 PolarHBondContact O-N 2.95Å; L36-L39 PolarHBondContact O-N 2.93Å; L39-Y41 VanDerWaalsContact C-N 3.33Å; L39-Y41 PolarHBondContact O-N 3.47Å; L39-R42 WeakPolarHBondContact O-CB 3.3Å; L39-R42 PolarHBondContact O-N 3.21Å; L39-R42 VanDerWaalsContact O-N 3.07Å; L39-N43 PolarHBondContact O-N 3.3Å; L39-V309 HydrophobicContact CB-CG2 4.23Å; L39-V309 HydrophobicContact CD2-CG2 3.43Å; L39-V309 VanDerWaalsContact CD2-CG2 3.43Å; L39-V309 HydrophobicContact CG-CG2 3.83Å; L39-E319 HydrophobicContact CD1-CG 4.44Å; L39-A320 HydrophobicContact CD1-CB 4.14Å; L39-A320 HydrophobicContact CD2-CB 4.04Å; L39-I323 HydrophobicContact CB-CD1 4.26Å; L39-I323 HydrophobicContact CD1-CD1 4.34Å; L39-I323 HydrophobicContact CD2-CB 3.99Å; L39-I323 HydrophobicContact CD2-CD1 4Å; L39-I323 HydrophobicContact CD2-CG2 3.91Å; L39-I323 HydrophobicContact CG-CD1 4.43Å
40	R	89.1	Confident	85	Confident	1 Å²	1	43.8 Å²	43.8	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-59.8	-42.4	177.4	-167.8	173.4	-175.3	-144.3	-14.6	112.1	E31 L36 N43 F44 H301 F302 R303 C304 N305 T308	E31-R40 WeakPolarHBondContact OE1-CD 3.41Å; E31-R40 IonicContact OE1-CZ 2.73Å; E31-R40 VanDerWaalsContact OE1-CZ 3.29Å; E31-R40 IonicContact OE1-NE 2.72Å; E31-R40 PolarHBondContact OE1-NE 3.37Å; E31-R40 IonicContact OE1-NH1 2.76Å; E31-R40 PolarHBondContact OE1-NH1 3.44Å; L36-R40 WeakPolarHBondContact O-CB 3.5Å; L36-R40 PolarHBondContact O-N 3.31Å; R40-N43 PolarHBondContact O-N 3.01Å; R40-F44 WeakPolarHBondContact O-CB 3.4Å; R40-F44 PolarHBondContact O-N 2.89Å; R40-H301 PolarHBondContact NH2-O 2.9Å; R40-F302 HydrophobicContact CG-CD1 4.02Å; R40-F302 PolarHBondContact NE-O 2.89Å; R40-F302 PolarHBondContact NH1-O 3.39Å; R40-F302 PolarHBondContact NH2-O 3.05Å; R40-R303 PolarHBondContact NH1-O 3.02Å; R40-R303 VanDerWaalsContact NH2-N 3.18Å; R40-R303 PolarHBondContact NH2-O 2.77Å; R40-C304 VanDerWaalsContact NH2-N 3.19Å; R40-N305 VanDerWaalsContact CZ-C 3.42Å; R40-N305 PolarHBondContact NE-O 3.14Å; R40-N305 PolarHBondContact NH2-O 3.42Å; R40-T308 PolarHBondContact NE-OG1 3.04Å
41	Y	89.5	Confident	86.7	Confident	22 Å²	22	40.9 Å²	40.9	9%	0.086	21%	0.205	C	C	.	.	H	α-helix	trans	-63.7	-40.5	172.3	179.1	-104.3	0	0	0	113	R18 K20 F23 A37 K38 L39 F44 R45	R18-Y41 PolarHBondContact O-OH 3.41Å; R18-Y41 VanDerWaalsContact O-OH 3.07Å; K20-Y41 VanDerWaalsContact CA-CZ 3.41Å; K20-Y41 WeakPolarHBondContact CA-OH 3.45Å; K20-Y41 HydrophobicContact CB-CD1 4.16Å; K20-Y41 HydrophobicContact CB-CE1 3.48Å; K20-Y41 VanDerWaalsContact CB-CE1 3.48Å; K20-Y41 HydrophobicContact CB-CE2 4.48Å; K20-Y41 HydrophobicContact CD-CD1 4.27Å; K20-Y41 HydrophobicContact CD-CE1 4.06Å; K20-Y41 HydrophobicContact CG-CD1 3.73Å; K20-Y41 HydrophobicContact CG-CE1 3.54Å; K20-Y41 HydrophobicContact CG-CG 4.5Å; K20-Y41 PolarHBondContact N-OH 3.25Å; F23-Y41 HydrophobicContact CB-CD2 3.65Å; F23-Y41 HydrophobicContact CB-CE2 3.82Å; F23-Y41 AromaticContact CD1-CD2 3.31Å; F23-Y41 HydrophobicContact CD1-CD2 3.31Å; F23-Y41 HydrophobicContact CD1-CE2 4.29Å; F23-Y41 AromaticContact CD1-CG 3.94Å; F23-Y41 HydrophobicContact CD1-CG 3.94Å; F23-Y41 HydrophobicContact CD2-CD2 4.16Å; F23-Y41 AromaticContact CE1-CD2 3.85Å; F23-Y41 HydrophobicContact CE1-CD2 3.85Å; F23-Y41 HydrophobicContact CE1-CG 4.36Å; F23-Y41 AromaticContact CG-CD2 3.45Å; F23-Y41 HydrophobicContact CG-CD2 3.45Å; F23-Y41 VanDerWaalsContact CG-CD2 3.45Å; F23-Y41 AromaticContact CG-CE2 3.99Å; F23-Y41 HydrophobicContact CG-CE2 3.99Å; F23-Y41 HydrophobicContact CG-CG 4.45Å; A37-Y41 PolarHBondContact O-N 2.91Å; A37-Y41 VanDerWaalsContact O-N 3.07Å; K38-Y41 PolarHBondContact O-N 3.12Å; L39-Y41 VanDerWaalsContact C-N 3.33Å; L39-Y41 PolarHBondContact O-N 3.47Å; Y41-F44 HydrophobicContact CD2-CD1 4.34Å; Y41-F44 HydrophobicContact CE2-CD1 4.41Å; Y41-F44 PolarHBondContact O-N 3.48Å; Y41-R45 WeakPolarHBondContact O-CB 3.33Å; Y41-R45 PolarHBondContact O-N 3.04Å
42	R	91.3	Very high	88.2	Confident	117 Å²	117	45.2 Å²	45.2	44%	0.442	22%	0.221	S	C	.	.	H	α-helix	trans	-61.6	-46.3	175.6	-77	176.3	171.8	178.3	-7.8	111.3	K38 L39 R45 S46 E319	K38-R42 WeakPolarHBondContact O-CG 3.41Å; K38-R42 PolarHBondContact O-N 2.97Å; L39-R42 WeakPolarHBondContact O-CB 3.3Å; L39-R42 PolarHBondContact O-N 3.21Å; L39-R42 VanDerWaalsContact O-N 3.07Å; R42-R45 PolarHBondContact O-N 3.31Å; R42-S46 WeakPolarHBondContact O-CB 3.43Å; R42-S46 PolarHBondContact O-N 3.46Å; R42-E319 WeakPolarHBondContact CD-OE1 3.4Å; R42-E319 IonicContact CZ-OE1 3.8Å; R42-E319 IonicContact CZ-OE2 2.63Å; R42-E319 IonicContact NE-OE1 3.83Å; R42-E319 IonicContact NH1-OE1 3.85Å; R42-E319 PolarHBondContact NH1-OE1 3.15Å; R42-E319 IonicContact NH1-OE2 2.63Å; R42-E319 PolarHBondContact NH1-OE2 3.44Å
43	N	93.6	Very high	89.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.2	-46.9	175.2	-73.6	-12.6	0	0	0	111.7	L39 R40 R45 S46 T47 F302 V309 C311 T316	L39-N43 PolarHBondContact O-N 3.3Å; R40-N43 PolarHBondContact O-N 3.01Å; N43-R45 PolarHBondContact O-N 3.45Å; N43-S46 PolarHBondContact O-N 3.04Å; N43-T47 WeakPolarHBondContact O-CB 3.49Å; N43-T47 PolarHBondContact O-N 2.9Å; N43-T47 PolarHBondContact O-OG1 3.3Å; N43-F302 HydrophobicContact CB-CD1 4.49Å; N43-F302 HydrophobicContact CB-CE1 3.62Å; N43-F302 HydrophobicContact CB-CZ 4.27Å; N43-V309 PolarHBondContact ND2-O 2.75Å; N43-C311 VanDerWaalsContact CB-O 3.3Å; N43-C311 WeakPolarHBondContact CB-O 3.4Å; N43-C311 PolarHBondContact ND2-O 3.2Å; N43-T316 WeakPolarHBondContact OD1-CB 3.46Å; N43-T316 PolarHBondContact OD1-OG1 3.04Å
44	F	92.3	Very high	90	Very high	14 Å²	14	46.6 Å²	46.6	6%	0.061	21%	0.205	C	C	.	.	H	α-helix	trans	-55.9	-52.3	174.7	170.3	-113.2	0	0	0	111.3	F23 R40 Y41 S46 T47 V48 M298 L299 F302	F23-F44 HydrophobicContact CD2-CD1 4.46Å; F23-F44 HydrophobicContact CE2-CD1 4.03Å; F23-F44 HydrophobicContact CE2-CE1 4.32Å; F23-F44 HydrophobicContact CE2-CG 4.34Å; F23-F44 HydrophobicContact CZ-CB 4.33Å; F23-F44 HydrophobicContact CZ-CD1 4.29Å; F23-F44 HydrophobicContact CZ-CG 4.31Å; R40-F44 WeakPolarHBondContact O-CB 3.4Å; R40-F44 PolarHBondContact O-N 2.89Å; Y41-F44 HydrophobicContact CD2-CD1 4.34Å; Y41-F44 HydrophobicContact CE2-CD1 4.41Å; Y41-F44 PolarHBondContact O-N 3.48Å; F44-S46 PolarHBondContact O-N 3.48Å; F44-T47 WeakPolarHBondContact O-CB 3.12Å; F44-T47 PolarHBondContact O-N 3.48Å; F44-V48 HydrophobicContact CD2-CG2 4.15Å; F44-V48 HydrophobicContact CE1-CG2 4.27Å; F44-V48 HydrophobicContact CE2-CG2 3.68Å; F44-V48 HydrophobicContact CZ-CG2 3.76Å; F44-V48 WeakPolarHBondContact O-CG2 3.43Å; F44-V48 PolarHBondContact O-N 2.93Å; F44-M298 HydrophobicContact CD2-CG 4.04Å; F44-M298 HydrophobicContact CD2-SD 4.19Å; F44-M298 HydrophobicContact CE2-CG 4.01Å; F44-M298 HydrophobicContact CE2-SD 4.08Å; F44-L299 HydrophobicContact CE1-CD1 4.04Å; F44-L299 HydrophobicContact CE2-CB 4.14Å; F44-L299 HydrophobicContact CE2-CD1 4.12Å; F44-L299 HydrophobicContact CZ-CB 4.24Å; F44-L299 HydrophobicContact CZ-CD1 3.61Å; F44-F302 HydrophobicContact CB-CB 3.92Å; F44-F302 HydrophobicContact CB-CD1 3.81Å; F44-F302 HydrophobicContact CB-CD2 4.21Å; F44-F302 HydrophobicContact CB-CE1 4.35Å; F44-F302 HydrophobicContact CB-CG 3.73Å; F44-F302 HydrophobicContact CD2-CB 3.9Å; F44-F302 AromaticContact CD2-CD2 3.86Å; F44-F302 HydrophobicContact CD2-CD2 3.86Å; F44-F302 AromaticContact CD2-CG 3.99Å; F44-F302 HydrophobicContact CD2-CG 3.99Å; F44-F302 HydrophobicContact CG-CB 4.16Å; F44-F302 HydrophobicContact CG-CG 4.29Å
45	R	92	Very high	90.1	Very high	141 Å²	141	45.3 Å²	45.3	53%	0.532	20%	0.197	S	C	.	.	H	α-helix	trans	-59	-46.3	-179.3	-178.1	-175.9	168.5	178.9	-0.1	112	Y41 R42 N43 T47 V48 E49	Y41-R45 WeakPolarHBondContact O-CB 3.33Å; Y41-R45 PolarHBondContact O-N 3.04Å; R42-R45 PolarHBondContact O-N 3.31Å; N43-R45 PolarHBondContact O-N 3.45Å; R45-T47 VanDerWaalsContact C-N 3.31Å; R45-T47 PolarHBondContact O-N 3.16Å; R45-V48 WeakPolarHBondContact O-CB 3.44Å; R45-V48 PolarHBondContact O-N 3.38Å; R45-E49 IonicContact CZ-OE1 2.96Å; R45-E49 IonicContact NE-OE1 3.97Å; R45-E49 PolarHBondContact NE-OE1 2.87Å; R45-E49 IonicContact NH2-OE1 2.74Å; R45-E49 PolarHBondContact NH2-OE1 3.43Å; R45-E49 PolarHBondContact O-N 2.98Å
46	S	94.1	Very high	90	Very high	10 Å²	10	44.7 Å²	44.7	7%	0.07	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-40.6	178.4	-169.6	0	0	0	0	111.8	R42 N43 F44 V48 E49 M50 T313 S315	R42-S46 WeakPolarHBondContact O-CB 3.43Å; R42-S46 PolarHBondContact O-N 3.46Å; N43-S46 PolarHBondContact O-N 3.04Å; F44-S46 PolarHBondContact O-N 3.48Å; S46-V48 VanDerWaalsContact C-N 3.3Å; S46-V48 PolarHBondContact O-N 3.49Å; S46-E49 PolarHBondContact O-N 3.23Å; S46-E49 VanDerWaalsContact O-N 3.16Å; S46-M50 WeakPolarHBondContact O-CG 3.48Å; S46-M50 PolarHBondContact O-N 3.36Å; S46-T313 VanDerWaalsContact CB-OG1 3.3Å; S46-T313 WeakPolarHBondContact CB-OG1 3.36Å; S46-T313 PolarHBondContact OG-OG1 3.46Å; S46-S315 PolarHBondContact OG-OG 2.99Å
47	T	94.3	Very high	90	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-37.6	175.2	-54.5	0	0	0	0	111.7	N43 F44 R45 L51 L263 F265 M298 F302	N43-T47 WeakPolarHBondContact O-CB 3.49Å; N43-T47 PolarHBondContact O-N 2.9Å; N43-T47 PolarHBondContact O-OG1 3.3Å; F44-T47 WeakPolarHBondContact O-CB 3.12Å; F44-T47 PolarHBondContact O-N 3.48Å; R45-T47 VanDerWaalsContact C-N 3.31Å; R45-T47 PolarHBondContact O-N 3.16Å; T47-L51 PolarHBondContact O-N 3.08Å; T47-L51 VanDerWaalsContact O-N 3.08Å; T47-L263 HydrophobicContact CG2-CD1 3.4Å; T47-L263 VanDerWaalsContact CG2-CD1 3.4Å; T47-F265 HydrophobicContact CG2-CB 3.68Å; T47-F265 HydrophobicContact CG2-CG 4.37Å; T47-M298 HydrophobicContact CG2-CE 3.54Å; T47-M298 HydrophobicContact CG2-CG 4.14Å; T47-M298 HydrophobicContact CG2-SD 3.47Å; T47-M298 WeakPolarHBondContact CG2-SD 3.34Å; T47-F302 HydrophobicContact CG2-CE2 4.2Å
48	V	92.4	Very high	89.9	Confident	14 Å²	14	46 Å²	46	9%	0.085	21%	0.209	C	C	.	.	H	α-helix	trans	-68.7	-37.3	174.5	173.4	0	0	0	0	112.2	F44 R45 S46 L51 R52 L295 M298	F44-V48 HydrophobicContact CD2-CG2 4.15Å; F44-V48 HydrophobicContact CE1-CG2 4.27Å; F44-V48 HydrophobicContact CE2-CG2 3.68Å; F44-V48 HydrophobicContact CZ-CG2 3.76Å; F44-V48 WeakPolarHBondContact O-CG2 3.43Å; F44-V48 PolarHBondContact O-N 2.93Å; R45-V48 WeakPolarHBondContact O-CB 3.44Å; R45-V48 PolarHBondContact O-N 3.38Å; S46-V48 VanDerWaalsContact C-N 3.3Å; S46-V48 PolarHBondContact O-N 3.49Å; V48-L51 PolarHBondContact O-N 2.88Å; V48-R52 WeakPolarHBondContact O-CG 3.49Å; V48-R52 PolarHBondContact O-N 2.82Å; V48-L295 HydrophobicContact CB-CD1 4.47Å; V48-L295 HydrophobicContact CG1-CD1 4.12Å; V48-L295 HydrophobicContact CG2-CD1 3.56Å; V48-M298 HydrophobicContact CG2-SD 3.54Å; V48-M298 VanDerWaalsContact CG2-SD 3.54Å
49	E	91.9	Very high	89.3	Confident	75 Å²	75	42.9 Å²	42.9	35%	0.35	20%	0.196	S	C	.	.	H	α-helix	trans	-63.9	-45.8	176	-73.3	167.8	-178.2	0	0	110.2	R45 S46 L51 R52 E53	R45-E49 IonicContact CZ-OE1 2.96Å; R45-E49 IonicContact NE-OE1 3.97Å; R45-E49 PolarHBondContact NE-OE1 2.87Å; R45-E49 IonicContact NH2-OE1 2.74Å; R45-E49 PolarHBondContact NH2-OE1 3.43Å; R45-E49 PolarHBondContact O-N 2.98Å; S46-E49 PolarHBondContact O-N 3.23Å; S46-E49 VanDerWaalsContact O-N 3.16Å; E49-L51 PolarHBondContact O-N 3.24Å; E49-R52 WeakPolarHBondContact O-CB 3.18Å; E49-R52 PolarHBondContact O-N 2.9Å; E49-R52 VanDerWaalsContact O-N 3.14Å; E49-E53 PolarHBondContact O-N 3.16Å; E49-E53 VanDerWaalsContact O-N 3.09Å
50	M	92.8	Very high	88.6	Confident	33 Å²	33	46.2 Å²	46.2	16%	0.163	21%	0.213	C	C	.	.	H	α-helix	trans	-57.3	-44.4	172.3	-67.9	-68.9	-63.4	0	0	112.6	S46 R52 E53 F54 D262 L263 T313	S46-M50 WeakPolarHBondContact O-CG 3.48Å; S46-M50 PolarHBondContact O-N 3.36Å; M50-R52 VanDerWaalsContact C-N 3.28Å; M50-R52 PolarHBondContact O-N 2.76Å; M50-E53 WeakPolarHBondContact O-CB 3.46Å; M50-E53 PolarHBondContact O-N 3.24Å; M50-E53 VanDerWaalsContact O-N 3.13Å; M50-F54 HydrophobicContact CE-CE2 4.13Å; M50-F54 WeakPolarHBondContact O-CD2 3.48Å; M50-F54 PolarHBondContact O-N 2.77Å; M50-D262 HydrophobicContact CE-CB 3.52Å; M50-L263 HydrophobicContact CB-CD1 4.07Å; M50-T313 HydrophobicContact CG-CG2 4.08Å
51	L	91.4	Very high	88.2	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-56.1	-43.5	176.5	172.5	62.9	0	0	0	111.6	T47 V48 E49 E53 F54 E55 L257 Y294 L295 M298	T47-L51 PolarHBondContact O-N 3.08Å; T47-L51 VanDerWaalsContact O-N 3.08Å; V48-L51 PolarHBondContact O-N 2.88Å; E49-L51 PolarHBondContact O-N 3.24Å; L51-E53 VanDerWaalsContact C-N 3.33Å; L51-E53 PolarHBondContact O-N 2.84Å; L51-F54 PolarHBondContact O-N 2.85Å; L51-E55 HydrophobicContact CD1-CG 4.4Å; L51-E55 WeakPolarHBondContact O-CG 3.47Å; L51-E55 PolarHBondContact O-N 2.89Å; L51-L257 HydrophobicContact CD1-CD1 3.66Å; L51-L257 HydrophobicContact CD1-CD2 3.72Å; L51-L257 HydrophobicContact CD1-CG 4.33Å; L51-Y294 HydrophobicContact CD1-CD1 4.06Å; L51-Y294 HydrophobicContact CD1-CE1 4.36Å; L51-Y294 HydrophobicContact CD2-CD1 4.02Å; L51-L295 HydrophobicContact CD2-CB 4.3Å; L51-M298 HydrophobicContact CB-CE 4.33Å; L51-M298 HydrophobicContact CD2-CE 4.14Å
52	R	88.9	Confident	87.5	Confident	104 Å²	104	52.2 Å²	52.2	39%	0.392	25%	0.246	S	C	.	.	H	α-helix	trans	-65.7	-36.3	178	-69.3	175	-178.5	174.3	3.9	112.4	V48 E49 M50 F54 E55 L56	V48-R52 WeakPolarHBondContact O-CG 3.49Å; V48-R52 PolarHBondContact O-N 2.82Å; E49-R52 WeakPolarHBondContact O-CB 3.18Å; E49-R52 PolarHBondContact O-N 2.9Å; E49-R52 VanDerWaalsContact O-N 3.14Å; M50-R52 VanDerWaalsContact C-N 3.28Å; M50-R52 PolarHBondContact O-N 2.76Å; R52-F54 VanDerWaalsContact C-N 3.34Å; R52-E55 PolarHBondContact O-N 2.83Å; R52-L56 WeakPolarHBondContact O-CB 3.22Å; R52-L56 VanDerWaalsContact O-CG 3.24Å; R52-L56 WeakPolarHBondContact O-CG 3.4Å; R52-L56 PolarHBondContact O-N 3.1Å
53	E	90	Very high	86.6	Confident	113 Å²	113	47.5 Å²	47.5	53%	0.528	23%	0.228	S	C	.	.	H	α-helix	trans	-63.1	-42.8	174.1	-68.2	173.4	-176.5	0	0	111	E49 M50 L51 L56 A57	E49-E53 PolarHBondContact O-N 3.16Å; E49-E53 VanDerWaalsContact O-N 3.09Å; M50-E53 WeakPolarHBondContact O-CB 3.46Å; M50-E53 PolarHBondContact O-N 3.24Å; M50-E53 VanDerWaalsContact O-N 3.13Å; L51-E53 VanDerWaalsContact C-N 3.33Å; L51-E53 PolarHBondContact O-N 2.84Å; E53-L56 PolarHBondContact O-N 3.16Å; E53-A57 WeakPolarHBondContact O-CB 3.31Å; E53-A57 PolarHBondContact O-N 2.91Å
54	F	89.9	Confident	85.8	Confident	38 Å²	38	52.8 Å²	52.8	17%	0.167	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-41.7	173.4	-82.2	-75	0	0	0	112.9	M50 L51 R52 L58 L253 K256 L257 S260	M50-F54 HydrophobicContact CE-CE2 4.13Å; M50-F54 WeakPolarHBondContact O-CD2 3.48Å; M50-F54 PolarHBondContact O-N 2.77Å; L51-F54 PolarHBondContact O-N 2.85Å; R52-F54 VanDerWaalsContact C-N 3.34Å; F54-L58 VanDerWaalsContact O-CB 3.27Å; F54-L58 WeakPolarHBondContact O-CB 3.47Å; F54-L58 PolarHBondContact O-N 2.87Å; F54-L253 HydrophobicContact CB-CD1 4.07Å; F54-K256 HydrophobicContact CD1-CB 3.95Å; F54-K256 HydrophobicContact CE1-CB 4.23Å; F54-L257 HydrophobicContact CB-CD2 3.96Å; F54-L257 HydrophobicContact CD2-CD2 3.85Å; F54-L257 HydrophobicContact CG-CD2 3.92Å; F54-S260 WeakPolarHBondContact CZ-OG 3.41Å
55	E	85.4	Confident	85.2	Confident	63 Å²	63	59.1 Å²	59.1	29%	0.294	28%	0.281	S	S	.	.	H	α-helix	trans	-62.6	-44.7	175.6	-72.4	172.8	160.9	0	0	111.8	L51 R52 L58 H59 L253 S291	L51-E55 HydrophobicContact CD1-CG 4.4Å; L51-E55 WeakPolarHBondContact O-CG 3.47Å; L51-E55 PolarHBondContact O-N 2.89Å; R52-E55 PolarHBondContact O-N 2.83Å; E55-L58 PolarHBondContact O-N 2.99Å; E55-H59 VanDerWaalsContact O-CB 3.24Å; E55-H59 WeakPolarHBondContact O-CB 3.4Å; E55-H59 PolarHBondContact O-N 2.93Å; E55-L253 HydrophobicContact CG-CD2 4.15Å; E55-S291 WeakPolarHBondContact OE1-CB 3.3Å; E55-S291 PolarHBondContact OE1-OG 2.89Å
56	L	82.3	Confident	84.5	Confident	78 Å²	78	52.8 Å²	52.8	41%	0.408	26%	0.257	S	S	.	.	H	α-helix	trans	-65.3	-45.1	177.9	-73.2	169.7	0	0	0	111.5	R52 E53 H59 D60	R52-L56 WeakPolarHBondContact O-CB 3.22Å; R52-L56 VanDerWaalsContact O-CG 3.24Å; R52-L56 WeakPolarHBondContact O-CG 3.4Å; R52-L56 PolarHBondContact O-N 3.1Å; E53-L56 PolarHBondContact O-N 3.16Å; L56-H59 WeakPolarHBondContact O-CB 3.06Å; L56-H59 PolarHBondContact O-N 3.25Å; L56-D60 VanDerWaalsContact O-CG 3.29Å; L56-D60 PolarHBondContact O-N 2.81Å
57	A	85	Confident	83.7	Confident	43 Å²	43	53.2 Å²	53.2	36%	0.355	26%	0.258	S	S	.	.	H	α-helix	trans	-64.3	-41	176.9	0	0	0	0	0	111.8	E53 H59 D60 D61	E53-A57 WeakPolarHBondContact O-CB 3.31Å; E53-A57 PolarHBondContact O-N 2.91Å; A57-H59 VanDerWaalsContact C-N 3.33Å; A57-D60 PolarHBondContact O-N 2.75Å; A57-D61 WeakPolarHBondContact O-CB 3.37Å; A57-D61 VanDerWaalsContact O-CG 3.22Å; A57-D61 PolarHBondContact O-N 3.01Å
58	L	83.3	Confident	83.1	Confident	6 Å²	6	56.4 Å²	56.4	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-44.2	174.4	178.5	67.3	0	0	0	111.7	F54 E55 D60 D61 M62 A249 I252 L253 V287	F54-L58 VanDerWaalsContact O-CB 3.27Å; F54-L58 WeakPolarHBondContact O-CB 3.47Å; F54-L58 PolarHBondContact O-N 2.87Å; E55-L58 PolarHBondContact O-N 2.99Å; L58-D60 VanDerWaalsContact C-N 3.34Å; L58-D61 PolarHBondContact O-N 3.1Å; L58-M62 HydrophobicContact CD1-CG 3.76Å; L58-M62 HydrophobicContact CD1-SD 3.64Å; L58-M62 HydrophobicContact CD2-SD 4.46Å; L58-M62 HydrophobicContact CG-CG 4.21Å; L58-M62 HydrophobicContact CG-SD 3.96Å; L58-M62 WeakPolarHBondContact O-CB 3.42Å; L58-M62 WeakPolarHBondContact O-CG 3.4Å; L58-M62 PolarHBondContact O-N 2.75Å; L58-A249 HydrophobicContact CD2-CB 4.42Å; L58-A249 WeakPolarHBondContact CD2-O 3.42Å; L58-I252 HydrophobicContact CD1-CB 4.02Å; L58-I252 HydrophobicContact CD1-CG2 3.47Å; L58-I252 VanDerWaalsContact CD1-CG2 3.47Å; L58-L253 HydrophobicContact CD2-CB 3.59Å; L58-L253 HydrophobicContact CD2-CD1 4.04Å; L58-L253 HydrophobicContact CD2-CD2 4.25Å; L58-L253 HydrophobicContact CD2-CG 4.14Å; L58-V287 HydrophobicContact CD2-CG2 3.84Å
59	H	74.7	Confident	82.7	Confident	24 Å²	24	59 Å²	59	11%	0.111	28%	0.284	C	S	.	.	H	α-helix	trans	-58.7	-48.5	176.5	169.9	-70.2	0	0	0	110.9	E55 L56 A57 D61 M62 Y63 V105	E55-H59 VanDerWaalsContact O-CB 3.24Å; E55-H59 WeakPolarHBondContact O-CB 3.4Å; E55-H59 PolarHBondContact O-N 2.93Å; L56-H59 WeakPolarHBondContact O-CB 3.06Å; L56-H59 PolarHBondContact O-N 3.25Å; A57-H59 VanDerWaalsContact C-N 3.33Å; H59-D61 VanDerWaalsContact C-N 3.32Å; H59-D61 PolarHBondContact O-N 2.87Å; H59-M62 PolarHBondContact O-N 2.69Å; H59-Y63 HydrophobicContact CB-CD2 4.37Å; H59-Y63 AromaticContact CD2-CD2 3.82Å; H59-Y63 AromaticContact CG-CD2 3.93Å; H59-Y63 WeakPolarHBondContact O-CB 3.43Å; H59-Y63 VanDerWaalsContact O-CD2 3.31Å; H59-Y63 WeakPolarHBondContact O-CD2 3.25Å; H59-Y63 PolarHBondContact O-N 2.77Å; H59-V105 WeakPolarHBondContact CD2-CG2 3.38Å; H59-V105 VanDerWaalsContact CE1-CG1 3.49Å; H59-V105 WeakPolarHBondContact CE1-CG1 3.47Å; H59-V105 WeakPolarHBondContact NE2-CA 3.5Å; H59-V105 WeakPolarHBondContact NE2-CB 3.32Å; H59-V105 WeakPolarHBondContact NE2-CG1 3.44Å; H59-V105 WeakPolarHBondContact NE2-CG2 3.24Å
60	D	77.3	Confident	82.4	Confident	71 Å²	71	55.5 Å²	55.5	38%	0.38	27%	0.267	S	S	.	.	H	α-helix	trans	-63.7	-38.7	179.9	-67.8	-13.6	0	0	0	111.5	L56 A57 L58 F64 R108	L56-D60 VanDerWaalsContact O-CG 3.29Å; L56-D60 PolarHBondContact O-N 2.81Å; A57-D60 PolarHBondContact O-N 2.75Å; L58-D60 VanDerWaalsContact C-N 3.34Å; D60-F64 VanDerWaalsContact O-CB 3.3Å; D60-F64 WeakPolarHBondContact O-CB 3.35Å; D60-F64 PolarHBondContact O-N 2.71Å; D60-R108 IonicContact OD1-NH1 3.29Å
61	D	78.9	Confident	81.8	Confident	106 Å²	106	55.4 Å²	55.4	57%	0.567	27%	0.267	S	S	*	.	H	α-helix	trans	-66.7	-47.9	175.7	-70.1	-20.4	0	0	0	112.6	A57 L58 H59 K256	A57-D61 WeakPolarHBondContact O-CB 3.37Å; A57-D61 VanDerWaalsContact O-CG 3.22Å; A57-D61 PolarHBondContact O-N 3.01Å; L58-D61 PolarHBondContact O-N 3.1Å; H59-D61 VanDerWaalsContact C-N 3.32Å; H59-D61 PolarHBondContact O-N 2.87Å; D61-K256 IonicContact OD2-NZ 3Å; D61-K256 PolarHBondContact OD2-NZ 3.26Å
62	M	75.1	Confident	81.5	Confident	43 Å²	43	60.2 Å²	60.2	21%	0.212	29%	0.289	C	S	.	.	H	α-helix	trans	-79.1	-37.6	-170.5	-75	-163.9	70.6	0	0	113.6	L58 H59 F64 A249 I252	L58-M62 HydrophobicContact CD1-CG 3.76Å; L58-M62 HydrophobicContact CD1-SD 3.64Å; L58-M62 HydrophobicContact CD2-SD 4.46Å; L58-M62 HydrophobicContact CG-CG 4.21Å; L58-M62 HydrophobicContact CG-SD 3.96Å; L58-M62 WeakPolarHBondContact O-CB 3.42Å; L58-M62 WeakPolarHBondContact O-CG 3.4Å; L58-M62 PolarHBondContact O-N 2.75Å; H59-M62 PolarHBondContact O-N 2.69Å; M62-F64 VanDerWaalsContact C-N 3.32Å; M62-A249 HydrophobicContact CE-CB 3.54Å; M62-A249 WeakPolarHBondContact SD-CA 3.04Å; M62-A249 HydrophobicContact SD-CB 3.16Å; M62-A249 WeakPolarHBondContact SD-CB 3.48Å; M62-I252 HydrophobicContact SD-CD1 4.27Å
63	Y	73.6	Confident	81.4	Confident	17 Å²	17	56.3 Å²	56.3	7%	0.067	28%	0.275	C	S	.	.	H	α-helix	trans	-89.6	-2.1	-179.7	-64.8	-80.5	0	0	0	111.8	H59 E65 R66 E67 V105 A244	H59-Y63 HydrophobicContact CB-CD2 4.37Å; H59-Y63 AromaticContact CD2-CD2 3.82Å; H59-Y63 AromaticContact CG-CD2 3.93Å; H59-Y63 WeakPolarHBondContact O-CB 3.43Å; H59-Y63 VanDerWaalsContact O-CD2 3.31Å; H59-Y63 WeakPolarHBondContact O-CD2 3.25Å; H59-Y63 PolarHBondContact O-N 2.77Å; Y63-E65 PolarHBondContact O-N 3.48Å; Y63-R66 CarbonylContact O-C 3.53Å; Y63-R66 WeakPolarHBondContact O-CA 3.34Å; Y63-R66 WeakPolarHBondContact O-CB 3.45Å; Y63-R66 PolarHBondContact O-N 2.87Å; Y63-E67 VanDerWaalsContact O-CG 3.29Å; Y63-E67 WeakPolarHBondContact O-CG 3.48Å; Y63-E67 PolarHBondContact O-N 2.95Å; Y63-V105 HydrophobicContact CD1-CG1 3.73Å; Y63-V105 HydrophobicContact CD2-CG1 3.75Å; Y63-V105 HydrophobicContact CE1-CG1 4.17Å; Y63-V105 HydrophobicContact CE2-CG1 4.22Å; Y63-V105 HydrophobicContact CE2-CG2 4.21Å; Y63-V105 HydrophobicContact CG-CG1 3.49Å; Y63-V105 VanDerWaalsContact CG-CG1 3.49Å; Y63-A244 HydrophobicContact CE1-CB 4.33Å
64	F	77.1	Confident	81.2	Confident	111 Å²	111	51 Å²	51	49%	0.487	25%	0.25	S	C	.	.	H	α-helix	trans	-51.4	-53.2	-179	-176	-103.8	0	0	0	112.8	D60 M62 R66 E67 Q68	D60-F64 VanDerWaalsContact O-CB 3.3Å; D60-F64 WeakPolarHBondContact O-CB 3.35Å; D60-F64 PolarHBondContact O-N 2.71Å; M62-F64 VanDerWaalsContact C-N 3.32Å; F64-R66 PolarHBondContact O-N 3.42Å; F64-E67 PolarHBondContact O-N 2.93Å; F64-Q68 HydrophobicContact CD1-CG 4.16Å; F64-Q68 HydrophobicContact CE1-CG 3.76Å; F64-Q68 HydrophobicContact CE2-CG 4.15Å; F64-Q68 HydrophobicContact CZ-CG 3.75Å; F64-Q68 WeakPolarHBondContact O-CG 3.34Å; F64-Q68 PolarHBondContact O-N 3.17Å
65	E	77.9	Confident	80.8	Confident	147 Å²	147	51.6 Å²	51.6	69%	0.687	25%	0.253	S	S	*	.	H	α-helix	trans	-61.1	-37.2	-180	-66.5	-173.6	171.9	0	0	111.8	Y63 Q68 F69	Y63-E65 PolarHBondContact O-N 3.48Å; E65-Q68 PolarHBondContact O-N 3.32Å; E65-F69 VanDerWaalsContact O-CB 3.25Å; E65-F69 WeakPolarHBondContact O-CB 3.48Å; E65-F69 PolarHBondContact O-N 3.46Å
66	R	77.7	Confident	80.6	Confident	8 Å²	8	50.4 Å²	50.4	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-70.8	-39.8	177	178.7	143.4	-179.6	-145.4	-4.8	112.5	Y63 F64 F69 L70 C94 E102 C241	Y63-R66 CarbonylContact O-C 3.53Å; Y63-R66 WeakPolarHBondContact O-CA 3.34Å; Y63-R66 WeakPolarHBondContact O-CB 3.45Å; Y63-R66 PolarHBondContact O-N 2.87Å; F64-R66 PolarHBondContact O-N 3.42Å; R66-F69 PolarHBondContact O-N 2.81Å; R66-L70 VanDerWaalsContact O-CB 3.3Å; R66-L70 WeakPolarHBondContact O-CB 3.46Å; R66-L70 PolarHBondContact O-N 3.34Å; R66-C94 PolarHBondContact NH2-SG 3.41Å; R66-C94 VanDerWaalsContact NH2-SG 3.42Å; R66-E102 IonicContact CZ-OE2 3Å; R66-E102 IonicContact NH1-OE1 2.8Å; R66-E102 PolarHBondContact NH1-OE1 3.43Å; R66-E102 VanDerWaalsContact NH1-OE1 3.16Å; R66-E102 IonicContact NH1-OE2 3.6Å; R66-E102 PolarHBondContact NH1-OE2 2.93Å; R66-E102 IonicContact NH2-OE2 2.74Å; R66-E102 PolarHBondContact NH2-OE2 3.47Å; R66-C241 WeakPolarHBondContact CD-SG 3.25Å; R66-C241 WeakPolarHBondContact CG-SG 3.43Å; R66-C241 PolarHBondContact NE-SG 3.46Å
67	E	77.6	Confident	80.6	Confident	19 Å²	19	47 Å²	47	9%	0.089	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-47.4	172.6	-64	-150.4	132	0	0	110.1	Y63 F64 L70 L71 S109 K112	Y63-E67 VanDerWaalsContact O-CG 3.29Å; Y63-E67 WeakPolarHBondContact O-CG 3.48Å; Y63-E67 PolarHBondContact O-N 2.95Å; F64-E67 PolarHBondContact O-N 2.93Å; E67-L70 PolarHBondContact O-N 2.91Å; E67-L71 WeakPolarHBondContact O-CB 3.43Å; E67-L71 PolarHBondContact O-N 2.75Å; E67-S109 VanDerWaalsContact CD-OG 3.32Å; E67-S109 VanDerWaalsContact CG-OG 3.27Å; E67-S109 WeakPolarHBondContact CG-OG 3.29Å; E67-S109 WeakPolarHBondContact OE1-CA 3.4Å; E67-S109 WeakPolarHBondContact OE1-CB 3.33Å; E67-S109 PolarHBondContact OE1-OG 3.18Å; E67-K112 IonicContact OE1-NZ 2.81Å; E67-K112 IonicContact OE2-NZ 3.65Å; E67-K112 PolarHBondContact OE2-NZ 3.25Å
68	Q	81.1	Confident	80.2	Confident	67 Å²	67	46.4 Å²	46.4	31%	0.313	23%	0.226	S	C	.	.	H	α-helix	trans	-61.8	-46.9	177.1	-69.9	-60	-30.9	0	0	110.9	F64 E65 L70 L71 H72	F64-Q68 HydrophobicContact CD1-CG 4.16Å; F64-Q68 HydrophobicContact CE1-CG 3.76Å; F64-Q68 HydrophobicContact CE2-CG 4.15Å; F64-Q68 HydrophobicContact CZ-CG 3.75Å; F64-Q68 WeakPolarHBondContact O-CG 3.34Å; F64-Q68 PolarHBondContact O-N 3.17Å; E65-Q68 PolarHBondContact O-N 3.32Å; Q68-L70 VanDerWaalsContact C-N 3.34Å; Q68-L70 PolarHBondContact O-N 3.48Å; Q68-L71 PolarHBondContact O-N 3.01Å; Q68-H72 PolarHBondContact O-N 3.04Å; Q68-H72 PolarHBondContact O-ND1 3.2Å; Q68-H72 PolarHBondContact OE1-CE1 3.3Å
69	F	85.4	Confident	80	Confident	69 Å²	69	52.8 Å²	52.8	30%	0.303	25%	0.25	S	C	.	.	H	α-helix	trans	-58.2	-47.1	177.3	-174	-84.9	0	0	0	111.5	E65 R66 L71 H72 W73 L92	E65-F69 VanDerWaalsContact O-CB 3.25Å; E65-F69 WeakPolarHBondContact O-CB 3.48Å; E65-F69 PolarHBondContact O-N 3.46Å; R66-F69 PolarHBondContact O-N 2.81Å; F69-L71 PolarHBondContact O-N 3.07Å; F69-H72 PolarHBondContact O-N 3.4Å; F69-W73 HydrophobicContact CE1-CB 4.43Å; F69-W73 WeakPolarHBondContact O-CB 3.3Å; F69-W73 PolarHBondContact O-N 3.35Å; F69-L92 HydrophobicContact CD1-CD1 4.29Å; F69-L92 HydrophobicContact CE1-CD1 3.62Å
70	L	84.7	Confident	80	Confident	2 Å²	2	57 Å²	57	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-44.3	177.9	-179.2	65.6	0	0	0	111.7	R66 E67 Q68 W73 M74 L92 L110 I214	R66-L70 VanDerWaalsContact O-CB 3.3Å; R66-L70 WeakPolarHBondContact O-CB 3.46Å; R66-L70 PolarHBondContact O-N 3.34Å; E67-L70 PolarHBondContact O-N 2.91Å; Q68-L70 VanDerWaalsContact C-N 3.34Å; Q68-L70 PolarHBondContact O-N 3.48Å; L70-W73 HydrophobicContact CD1-CE3 4.41Å; L70-W73 PolarHBondContact O-N 2.85Å; L70-M74 HydrophobicContact CD1-CG 4.38Å; L70-M74 HydrophobicContact CD1-SD 4.32Å; L70-M74 HydrophobicContact CG-SD 4.27Å; L70-M74 WeakPolarHBondContact O-CB 3.3Å; L70-M74 VanDerWaalsContact O-CG 3.31Å; L70-M74 WeakPolarHBondContact O-CG 3.43Å; L70-M74 PolarHBondContact O-N 3.01Å; L70-L92 HydrophobicContact CD1-CD2 3.61Å; L70-L110 HydrophobicContact CD1-CD2 4.43Å; L70-L110 HydrophobicContact CD2-CD2 3.87Å; L70-L110 HydrophobicContact CD2-CG 4.02Å; L70-L110 HydrophobicContact CG-CD2 4.38Å; L70-I214 HydrophobicContact CD1-CD1 3.85Å
71	L	80.8	Confident	79.6	Confident	31 Å²	31	54.5 Å²	54.5	16%	0.162	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-53.4	177.3	-176.5	74.5	0	0	0	111.1	E67 Q68 F69 W73 M74 E75 C113 Y116	E67-L71 WeakPolarHBondContact O-CB 3.43Å; E67-L71 PolarHBondContact O-N 2.75Å; Q68-L71 PolarHBondContact O-N 3.01Å; F69-L71 PolarHBondContact O-N 3.07Å; L71-W73 VanDerWaalsContact C-N 3.28Å; L71-W73 PolarHBondContact O-N 3.21Å; L71-M74 PolarHBondContact O-N 3.49Å; L71-E75 WeakPolarHBondContact O-CG 3.4Å; L71-E75 PolarHBondContact O-N 3.4Å; L71-C113 HydrophobicContact CD1-CB 4.16Å; L71-C113 VanDerWaalsContact CD1-SG 3.57Å; L71-Y116 HydrophobicContact CD1-CD2 4.13Å
72	H	85.3	Confident	79	Confident	104 Å²	104	53.9 Å²	53.9	48%	0.481	26%	0.257	S	S	.	.	H	α-helix	trans	-61.2	-38.3	179.6	-72.6	85.3	0	0	0	111.8	Q68 F69 A76	Q68-H72 PolarHBondContact O-N 3.04Å; Q68-H72 PolarHBondContact O-ND1 3.2Å; Q68-H72 PolarHBondContact OE1-CE1 3.3Å; F69-H72 PolarHBondContact O-N 3.4Å; H72-A76 VanDerWaalsContact O-CB 3.27Å; H72-A76 WeakPolarHBondContact O-CB 3.32Å; H72-A76 PolarHBondContact O-N 3.16Å
73	W	86.9	Confident	78.5	Confident	22 Å²	22	58.7 Å²	58.7	8%	0.083	28%	0.283	C	S	.	.	H	α-helix	trans	-64.9	-47	176.9	-176.6	82.7	0	0	0	111.6	F69 L70 L71 A76 I77 H90 L92 A212 I214 S239	F69-W73 HydrophobicContact CE1-CB 4.43Å; F69-W73 WeakPolarHBondContact O-CB 3.3Å; F69-W73 PolarHBondContact O-N 3.35Å; L70-W73 HydrophobicContact CD1-CE3 4.41Å; L70-W73 PolarHBondContact O-N 2.85Å; L71-W73 VanDerWaalsContact C-N 3.28Å; L71-W73 PolarHBondContact O-N 3.21Å; W73-A76 PolarHBondContact O-N 3.34Å; W73-I77 HydrophobicContact CD2-CD1 3.76Å; W73-I77 HydrophobicContact CE3-CD1 3.69Å; W73-I77 HydrophobicContact CH2-CD1 3.62Å; W73-I77 HydrophobicContact CZ2-CD1 3.69Å; W73-I77 HydrophobicContact CZ3-CD1 3.61Å; W73-I77 WeakPolarHBondContact O-CG1 3.25Å; W73-I77 PolarHBondContact O-N 3.34Å; W73-I77 VanDerWaalsContact O-N 3.12Å; W73-H90 HydrophobicContact CH2-CB 3.96Å; W73-H90 HydrophobicContact CZ2-CB 3.51Å; W73-L92 HydrophobicContact CD2-CB 4.34Å; W73-L92 HydrophobicContact CD2-CD2 4.48Å; W73-L92 HydrophobicContact CE3-CB 4.35Å; W73-L92 HydrophobicContact CE3-CD2 4.28Å; W73-L92 HydrophobicContact CH2-CB 3.7Å; W73-L92 HydrophobicContact CZ2-CB 3.66Å; W73-L92 HydrophobicContact CZ3-CB 4.06Å; W73-A212 HydrophobicContact CH2-CB 3.76Å; W73-A212 HydrophobicContact CZ3-CB 3.82Å; W73-I214 HydrophobicContact CZ3-CG1 4.38Å; W73-S239 PolarHBondContact NE1-OG 2.98Å
74	M	85.3	Confident	77.9	Confident	1 Å²	1	66 Å²	66	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-62.8	-43.6	176.9	-72.3	-177.1	68	0	0	112.5	L70 L71 A76 I77 Q78 L110 C113 T117 F119 L179 V181	L70-M74 HydrophobicContact CD1-CG 4.38Å; L70-M74 HydrophobicContact CD1-SD 4.32Å; L70-M74 HydrophobicContact CG-SD 4.27Å; L70-M74 WeakPolarHBondContact O-CB 3.3Å; L70-M74 VanDerWaalsContact O-CG 3.31Å; L70-M74 WeakPolarHBondContact O-CG 3.43Å; L70-M74 PolarHBondContact O-N 3.01Å; L71-M74 PolarHBondContact O-N 3.49Å; M74-A76 VanDerWaalsContact C-N 3.33Å; M74-A76 PolarHBondContact O-N 2.95Å; M74-I77 PolarHBondContact O-N 2.92Å; M74-Q78 PolarHBondContact O-N 3.46Å; M74-L110 HydrophobicContact CE-CD2 4.09Å; M74-L110 HydrophobicContact SD-CD2 3.42Å; M74-L110 WeakPolarHBondContact SD-CD2 3.46Å; M74-C113 HydrophobicContact CE-CB 4.18Å; M74-C113 HydrophobicContact SD-CB 3.96Å; M74-T117 HydrophobicContact CE-CG2 4.06Å; M74-F119 HydrophobicContact CE-CD1 3.62Å; M74-F119 HydrophobicContact CE-CE1 3.92Å; M74-F119 HydrophobicContact CE-CG 4.11Å; M74-L179 HydrophobicContact CE-CD2 4.18Å; M74-V181 HydrophobicContact CE-CG2 3.92Å
75	E	81.3	Confident	77	Confident	52 Å²	52	71.2 Å²	71.2	24%	0.243	33%	0.331	C	S	.	.	H	α-helix	trans	-62.9	-39.5	175.8	-72.6	-179.4	-174.1	0	0	112.2	L71 I77 Q78 R79	L71-E75 WeakPolarHBondContact O-CG 3.4Å; L71-E75 PolarHBondContact O-N 3.4Å; E75-I77 VanDerWaalsContact C-N 3.31Å; E75-I77 PolarHBondContact O-N 2.95Å; E75-Q78 PolarHBondContact O-N 2.88Å; E75-R79 WeakPolarHBondContact O-CB 3.3Å; E75-R79 WeakPolarHBondContact O-CG 3.31Å; E75-R79 PolarHBondContact O-N 3.01Å; E75-R79 IonicContact OE2-CZ 3.92Å; E75-R79 IonicContact OE2-NH2 3.3Å; E75-R79 PolarHBondContact OE2-NH2 3.01Å
76	A	82.5	Confident	76.2	Confident	37 Å²	37	65.8 Å²	65.8	31%	0.306	31%	0.309	S	S	.	.	H	α-helix	trans	-63.1	-38.3	177.8	0	0	0	0	0	111.9	H72 W73 M74 K80	H72-A76 VanDerWaalsContact O-CB 3.27Å; H72-A76 WeakPolarHBondContact O-CB 3.32Å; H72-A76 PolarHBondContact O-N 3.16Å; W73-A76 PolarHBondContact O-N 3.34Å; M74-A76 VanDerWaalsContact C-N 3.33Å; M74-A76 PolarHBondContact O-N 2.95Å; A76-K80 WeakPolarHBondContact O-CB 3.42Å; A76-K80 WeakPolarHBondContact O-CG 3.27Å; A76-K80 PolarHBondContact O-N 3.45Å
77	I	81.6	Confident	75.3	Confident	6 Å²	6	69.9 Å²	69.9	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-61.7	-48.9	175.3	-66.4	170.1	0	0	0	110.4	W73 M74 E75 K80 A81 H90 L179 A212	W73-I77 HydrophobicContact CD2-CD1 3.76Å; W73-I77 HydrophobicContact CE3-CD1 3.69Å; W73-I77 HydrophobicContact CH2-CD1 3.62Å; W73-I77 HydrophobicContact CZ2-CD1 3.69Å; W73-I77 HydrophobicContact CZ3-CD1 3.61Å; W73-I77 WeakPolarHBondContact O-CG1 3.25Å; W73-I77 PolarHBondContact O-N 3.34Å; W73-I77 VanDerWaalsContact O-N 3.12Å; M74-I77 PolarHBondContact O-N 2.92Å; E75-I77 VanDerWaalsContact C-N 3.31Å; E75-I77 PolarHBondContact O-N 2.95Å; I77-K80 PolarHBondContact O-N 2.92Å; I77-A81 WeakPolarHBondContact O-CB 3.19Å; I77-A81 PolarHBondContact O-N 3.39Å; I77-H90 HydrophobicContact CD1-CB 3.49Å; I77-H90 VanDerWaalsContact CD1-CB 3.49Å; I77-H90 HydrophobicContact CG1-CB 4.03Å; I77-L179 HydrophobicContact CG2-CD1 3.88Å; I77-A212 HydrophobicContact CD1-CB 3.96Å
78	Q	77.1	Confident	74.6	Confident	31 Å²	31	73.5 Å²	73.5	15%	0.145	35%	0.35	C	S	.	.	H	α-helix	trans	-64.2	-43.6	179.9	-69.9	-166	-52.3	0	0	112.4	M74 E75 K80 A81 T82 T117	M74-Q78 PolarHBondContact O-N 3.46Å; E75-Q78 PolarHBondContact O-N 2.88Å; Q78-K80 VanDerWaalsContact C-N 3.3Å; Q78-K80 PolarHBondContact O-N 3.48Å; Q78-A81 PolarHBondContact O-N 3.36Å; Q78-A81 VanDerWaalsContact O-N 3.09Å; Q78-T82 PolarHBondContact O-N 2.89Å; Q78-T82 VanDerWaalsContact O-N 3.11Å; Q78-T117 HydrophobicContact CG-CG2 4.04Å; Q78-T117 PolarHBondContact OE1-OG1 2.93Å
79	R	77.8	Confident	74.3	Confident	141 Å²	141	70.3 Å²	70.3	53%	0.532	34%	0.335	S	S	.	.	H	α-helix	trans	-61	-36.5	175.4	-73.3	-175.8	-117	156.6	-6.2	112.4	E75 A81 T82 L83	E75-R79 WeakPolarHBondContact O-CB 3.3Å; E75-R79 WeakPolarHBondContact O-CG 3.31Å; E75-R79 PolarHBondContact O-N 3.01Å; E75-R79 IonicContact OE2-CZ 3.92Å; E75-R79 IonicContact OE2-NH2 3.3Å; E75-R79 PolarHBondContact OE2-NH2 3.01Å; R79-A81 VanDerWaalsContact C-N 3.34Å; R79-T82 PolarHBondContact O-OG1 3.49Å; R79-L83 WeakPolarHBondContact O-CG 3.31Å
80	K	75.2	Confident	74.2	Confident	112 Å²	112	67.7 Å²	67.7	49%	0.487	32%	0.324	S	S	.	.	H	α-helix	trans	-66.7	-39	173.8	-76.7	177.8	-178.3	-179.1	0	111.2	A76 I77 Q78 T82 L83 K84 D237	A76-K80 WeakPolarHBondContact O-CB 3.42Å; A76-K80 WeakPolarHBondContact O-CG 3.27Å; A76-K80 PolarHBondContact O-N 3.45Å; I77-K80 PolarHBondContact O-N 2.92Å; Q78-K80 VanDerWaalsContact C-N 3.3Å; Q78-K80 PolarHBondContact O-N 3.48Å; K80-T82 PolarHBondContact O-N 3.2Å; K80-L83 PolarHBondContact O-N 3.49Å; K80-K84 PolarHBondContact O-N 2.94Å; K80-K84 VanDerWaalsContact O-N 3.17Å; K80-D237 IonicContact NZ-OD2 3.85Å; K80-D237 PolarHBondContact NZ-OD2 3.3Å; K80-D237 VanDerWaalsContact NZ-OD2 3.08Å
81	A	69.6	Low	74.2	Confident	18 Å²	18	67.7 Å²	67.7	15%	0.149	32%	0.324	C	S	.	.	H	α-helix	trans	-72.6	-26	-176	0	0	0	0	0	114.2	I77 Q78 R79 L83 P86 Q210	I77-A81 WeakPolarHBondContact O-CB 3.19Å; I77-A81 PolarHBondContact O-N 3.39Å; Q78-A81 PolarHBondContact O-N 3.36Å; Q78-A81 VanDerWaalsContact O-N 3.09Å; R79-A81 VanDerWaalsContact C-N 3.34Å; A81-L83 VanDerWaalsContact C-N 3.29Å; A81-P86 HydrophobicContact CB-CG 4.42Å; A81-Q210 HydrophobicContact CB-CG 4.15Å; A81-Q210 VanDerWaalsContact CB-OE1 3.26Å
82	T	66.1	Low	74.5	Confident	94 Å²	94	66.2 Å²	66.2	58%	0.577	32%	0.316	S	S	*	.	H	α-helix	trans	-72.1	-23.4	171.8	56.7	0	0	0	0	112.8	Q78 R79 K80	Q78-T82 PolarHBondContact O-N 2.89Å; Q78-T82 VanDerWaalsContact O-N 3.11Å; R79-T82 PolarHBondContact O-OG1 3.49Å; K80-T82 PolarHBondContact O-N 3.2Å
83	L	65.1	Low	74.4	Confident	143 Å²	143	61.4 Å²	61.4	75%	0.749	29%	0.294	S	S	*	.	H	α-helix	trans	-91.1	-38.2	-177.2	-67.4	169.9	0	0	0	113.2	R79 K80 A81	R79-L83 WeakPolarHBondContact O-CG 3.31Å; K80-L83 PolarHBondContact O-N 3.49Å; A81-L83 VanDerWaalsContact C-N 3.29Å
84	K	60.2	Low	74.2	Confident	172 Å²	172	60.4 Å²	60.4	75%	0.748	29%	0.291	S	S	*	.	S	Bend	trans	-148.9	148.6	-177.7	-66.8	-175.4	179.9	177.1	0	109.8	K80	K80-K84 PolarHBondContact O-N 2.94Å; K80-K84 VanDerWaalsContact O-N 3.17Å
85	R	59.2	Low	73.8	Confident	219 Å²	219	60.8 Å²	60.8	83%	0.826	29%	0.293	S	S	*	.			trans	-53.4	134.1	169.9	-79.1	-172.8	178.5	173	-0.6	109.2	T87	R85-T87 PolarHBondContact O-N 2.99Å; R85-T87 VanDerWaalsContact O-N 3.16Å
86	P	59	Low	73.4	Confident	34 Å²	34	58.7 Å²	58.7	22%	0.221	28%	0.284	C	S	.	.			trans	-61.1	121.1	-178	-11.5	21.2	0	0	0	110	A81 Q210	A81-P86 HydrophobicContact CB-CG 4.42Å; P86-Q210 HydrophobicContact CG-CG 3.87Å
87	T	59.2	Low	72.5	Confident	93 Å²	93	58.9 Å²	58.9	57%	0.571	28%	0.278	S	S	*	.			trans	-90.2	-7.6	173.6	45.6	0	0	0	0	112.6	R85 R206	R85-T87 PolarHBondContact O-N 2.99Å; R85-T87 VanDerWaalsContact O-N 3.16Å; T87-R206 PolarHBondContact O-NH1 2.72Å
88	F	63.5	Low	71.2	Confident	95 Å²	95	65.5 Å²	65.5	42%	0.417	30%	0.303	S	S	.	.	S	Bend	trans	-137.5	146.6	-173.3	-56.6	-78.3	0	0	0	110.7	R235 D237	F88-R235 WeakPolarHBondContact CD1-O 3.4Å; F88-D237 HydrophobicContact CB-CB 4.44Å
89	A	74.8	Confident	70	Confident	0 Å²	0	68 Å²	68	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	141.6	159.6	0	0	0	0	0	108.1	M236 D237	A89-M236 HydrophobicContact CB-CG 4.3Å; A89-M236 CarbonylContact O-C 3.5Å; A89-M236 WeakPolarHBondContact O-CA 3.49Å; A89-D237 PolarHBondContact O-N 3.38Å
90	H	83.5	Confident	68.7	Low	14 Å²	14	62.1 Å²	62.1	7%	0.065	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.3	178.5	-62.2	-85.3	0	0	0	109.4	W73 I77 I211 A212 I213 D237	W73-H90 HydrophobicContact CH2-CB 3.96Å; W73-H90 HydrophobicContact CZ2-CB 3.51Å; I77-H90 HydrophobicContact CD1-CB 3.49Å; I77-H90 VanDerWaalsContact CD1-CB 3.49Å; I77-H90 HydrophobicContact CG1-CB 4.03Å; H90-I211 PolarHBondContact N-O 2.84Å; H90-I211 VanDerWaalsContact N-O 3.16Å; H90-A212 CarbonylContact O-C 3.54Å; H90-I213 PolarHBondContact O-N 2.87Å; H90-D237 IonicContact CE1-OD2 3.09Å; H90-D237 IonicContact ND1-OD2 2.66Å; H90-D237 PolarHBondContact ND1-OD2 3.08Å
91	L	84.8	Confident	67.9	Low	2 Å²	2	61.8 Å²	61.8	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	115.3	178.8	175.2	63.6	0	0	0	109.8	I93 F199 I213 A215 F233 M236 D237 V238 S239	L91-I93 HydrophobicContact CD2-CD1 4.48Å; L91-I93 HydrophobicContact CD2-CG1 4.22Å; L91-I93 HydrophobicContact CG-CG1 4.14Å; L91-F199 HydrophobicContact CD1-CE1 4.26Å; L91-F199 HydrophobicContact CD2-CE1 4.3Å; L91-I213 CarbonylContact C-O 3.48Å; L91-I213 WeakPolarHBondContact CA-O 3.47Å; L91-I213 HydrophobicContact CD1-CB 3.79Å; L91-I213 HydrophobicContact CD1-CG2 3.62Å; L91-A215 HydrophobicContact CD1-CB 3.83Å; L91-F233 HydrophobicContact CD2-CD1 4.13Å; L91-F233 HydrophobicContact CD2-CE1 3.52Å; L91-M236 HydrophobicContact CB-SD 4.5Å; L91-M236 HydrophobicContact CD2-SD 4.49Å; L91-D237 PolarHBondContact N-O 2.91Å; L91-V238 HydrophobicContact CB-CG2 4.4Å; L91-V238 HydrophobicContact CD2-CG1 4.39Å; L91-V238 HydrophobicContact CD2-CG2 4.26Å; L91-V238 CarbonylContact O-C 3.52Å; L91-V238 WeakPolarHBondContact O-CA 3.47Å; L91-S239 PolarHBondContact O-N 3.27Å
92	L	86.2	Confident	67.7	Low	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	112.4	168.3	-178.9	60.1	0	0	0	109.2	F69 L70 W73 I213 I214 A215 S239 C241	F69-L92 HydrophobicContact CD1-CD1 4.29Å; F69-L92 HydrophobicContact CE1-CD1 3.62Å; L70-L92 HydrophobicContact CD1-CD2 3.61Å; W73-L92 HydrophobicContact CD2-CB 4.34Å; W73-L92 HydrophobicContact CD2-CD2 4.48Å; W73-L92 HydrophobicContact CE3-CB 4.35Å; W73-L92 HydrophobicContact CE3-CD2 4.28Å; W73-L92 HydrophobicContact CH2-CB 3.7Å; W73-L92 HydrophobicContact CZ2-CB 3.66Å; W73-L92 HydrophobicContact CZ3-CB 4.06Å; L92-I213 PolarHBondContact N-O 2.76Å; L92-I214 HydrophobicContact CB-CG1 4.48Å; L92-I214 CarbonylContact O-C 3.57Å; L92-I214 WeakPolarHBondContact O-CA 3.36Å; L92-A215 PolarHBondContact O-N 3.4Å; L92-S239 WeakPolarHBondContact CA-O 3.44Å; L92-C241 HydrophobicContact CD1-CB 3.92Å; L92-C241 HydrophobicContact CG-CB 4.41Å
93	I	84.4	Confident	68	Low	4 Å²	4	57 Å²	57	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	124.4	169.6	-57.5	-179.8	0	0	0	107.9	L91 P95 C217 T222 L226 V238 S239 V240 C241	L91-I93 HydrophobicContact CD2-CD1 4.48Å; L91-I93 HydrophobicContact CD2-CG1 4.22Å; L91-I93 HydrophobicContact CG-CG1 4.14Å; I93-P95 WeakPolarHBondContact O-CD 3.38Å; I93-C217 WeakPolarHBondContact CG2-SG 3.42Å; I93-T222 HydrophobicContact CG2-CG2 3.82Å; I93-L226 HydrophobicContact CD1-CD2 3.39Å; I93-L226 HydrophobicContact CD1-CG 3.79Å; I93-V238 HydrophobicContact CD1-CG1 3.95Å; I93-V238 HydrophobicContact CG1-CG1 4.29Å; I93-S239 PolarHBondContact N-O 3.32Å; I93-V240 HydrophobicContact CB-CG2 4.42Å; I93-C241 WeakPolarHBondContact O-CB 3.33Å; I93-C241 PolarHBondContact O-N 3.15Å
94	C	82.3	Confident	68.3	Low	1 Å²	1	53.8 Å²	53.8	1%	0.007	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	94.8	177.3	-84.8	0	0	0	0	107.8	R66 T96 A215 L216 C217	R66-C94 PolarHBondContact NH2-SG 3.41Å; R66-C94 VanDerWaalsContact NH2-SG 3.42Å; C94-T96 WeakPolarHBondContact O-CG2 3.31Å; C94-T96 PolarHBondContact O-N 3Å; C94-A215 WeakPolarHBondContact CB-O 3.49Å; C94-A215 PolarHBondContact N-O 2.83Å; C94-L216 HydrophobicContact CB-CD2 3.5Å; C94-L216 HydrophobicContact CB-CG 4.43Å; C94-C217 PolarHBondContact O-N 3.34Å; C94-C217 VanDerWaalsContact O-N 3.11Å
95	P	77.4	Confident	68.5	Low	8 Å²	8	46.2 Å²	46.2	5%	0.052	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	123	171.6	-19.8	33.4	0	0	0	109.2	I93 C217 N219 T222 V240	I93-P95 WeakPolarHBondContact O-CD 3.38Å; P95-C217 CarbonylContact C-O 3.54Å; P95-C217 WeakPolarHBondContact CA-O 3.23Å; P95-N219 VanDerWaalsContact CA-OD1 3.22Å; P95-N219 WeakPolarHBondContact CA-OD1 3.32Å; P95-N219 WeakPolarHBondContact CB-OD1 3.46Å; P95-N219 PolarHBondContact O-OD1 2.77Å; P95-T222 HydrophobicContact CG-CG2 4.21Å; P95-V240 HydrophobicContact CG-CG1 3.92Å
96	T	71.1	Confident	69.3	Low	9 Å²	9	36 Å²	36	6%	0.055	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	151.3	176.9	70	0	0	0	0	109.9	C94 E102 L216 C217 A218 N219	C94-T96 WeakPolarHBondContact O-CG2 3.31Å; C94-T96 PolarHBondContact O-N 3Å; T96-E102 HydrophobicContact CG2-CG 4.4Å; T96-E102 VanDerWaalsContact CG2-OE2 3.29Å; T96-E102 WeakPolarHBondContact CG2-OE2 3.32Å; T96-L216 HydrophobicContact CG2-CB 4.01Å; T96-L216 HydrophobicContact CG2-CD2 3.49Å; T96-L216 VanDerWaalsContact CG2-CD2 3.49Å; T96-L216 HydrophobicContact CG2-CG 4.36Å; T96-C217 PolarHBondContact N-O 3.11Å; T96-C217 PolarHBondContact OG1-O 3.4Å; T96-A218 CarbonylContact O-C 3.52Å; T96-A218 WeakPolarHBondContact O-CA 3.44Å; T96-N219 PolarHBondContact N-OD1 2.84Å; T96-N219 VanDerWaalsContact N-OD1 3.11Å; T96-N219 PolarHBondContact O-N 2.85Å; T96-N219 PolarHBondContact O-OD1 3.17Å
97	E	64.1	Low	70.3	Confident	40 Å²	40	36.3 Å²	36.3	19%	0.187	18%	0.179	C	C	.	.			trans	-76.8	137.7	164.7	-61.9	-169	-169.8	0	0	109	R99 L100 S245 D246 H247	E97-R99 PolarHBondContact O-N 2.83Å; E97-L100 HydrophobicContact CB-CD1 4.16Å; E97-L100 HydrophobicContact CB-CG 4.45Å; E97-L100 WeakPolarHBondContact O-CB 3.25Å; E97-L100 PolarHBondContact O-N 3.07Å; E97-S245 WeakPolarHBondContact OE1-CA 3.36Å; E97-D246 HydrophobicContact CB-CB 4.41Å; E97-D246 VanDerWaalsContact CD-CB 3.42Å; E97-D246 HydrophobicContact CG-CB 4.08Å; E97-D246 PolarHBondContact OE1-N 2.62Å; E97-D246 WeakPolarHBondContact OE2-CB 3.16Å; E97-H247 PolarHBondContact OE1-N 3.25Å
98	R	54.7	Low	71.1	Confident	146 Å²	146	36.2 Å²	36.2	55%	0.551	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-22.5	-169.8	-79.7	-170.7	-175.4	150.2	16.9	115.5	A218 E220	R98-A218 HydrophobicContact CG-CB 3.56Å; R98-E220 IonicContact CZ-OE2 2.7Å; R98-E220 IonicContact NH1-OE2 3.97Å; R98-E220 IonicContact NH2-OE2 3.07Å; R98-E220 PolarHBondContact NH2-OE2 3.34Å
99	R	52	Low	71.6	Confident	83 Å²	83	31.9 Å²	31.9	31%	0.313	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-3.3	-175.3	-60.4	-173.9	-178.4	-161.3	2.8	113.6	E97	E97-R99 PolarHBondContact O-N 2.83Å
100	L	50.7	Low	71.8	Confident	18 Å²	18	32 Å²	32	9%	0.094	15%	0.151	C	C	.	.			trans	-94.4	118.7	-176.5	-80.4	177.2	0	0	0	112.1	E97 E102 D246 V287	E97-L100 HydrophobicContact CB-CD1 4.16Å; E97-L100 HydrophobicContact CB-CG 4.45Å; E97-L100 WeakPolarHBondContact O-CB 3.25Å; E97-L100 PolarHBondContact O-N 3.07Å; L100-E102 HydrophobicContact CB-CG 3.76Å; L100-E102 HydrophobicContact CD1-CG 3.9Å; L100-E102 HydrophobicContact CG-CG 4.45Å; L100-E102 PolarHBondContact O-N 2.83Å; L100-E102 VanDerWaalsContact O-N 3.1Å; L100-D246 HydrophobicContact CD1-CB 3.31Å; L100-D246 WeakPolarHBondContact CD1-OD2 3.37Å; L100-D246 WeakPolarHBondContact CD2-OD2 3.43Å; L100-D246 HydrophobicContact CG-CB 4.09Å; L100-D246 VanDerWaalsContact CG-OD2 3.3Å; L100-D246 WeakPolarHBondContact CG-OD2 3.4Å; L100-V287 HydrophobicContact CD2-CG1 4.43Å
101	N	58.9	Low	71.7	Confident	105 Å²	105	39.1 Å²	39.1	56%	0.561	18%	0.182	S	C	*	.			trans	-80	77.7	156.2	-166.9	-2.1	0	0	0	108.3	V103 P104	N101-V103 PolarHBondContact O-N 3.15Å; N101-V103 WeakPolarHBondContact OD1-CB 3.43Å; N101-V103 WeakPolarHBondContact OD1-CG2 3.4Å; N101-V103 PolarHBondContact OD1-N 3.46Å; N101-P104 WeakPolarHBondContact O-CD 3.28Å
102	E	65.5	Low	71.1	Confident	3 Å²	3	43.7 Å²	43.7	1%	0.014	20%	0.201	C	C	.	.			trans	-71.5	-5.6	173.2	-61.7	-172.1	157.3	0	0	112.5	R66 T96 L100 P104 V105 L106	R66-E102 IonicContact CZ-OE2 3Å; R66-E102 IonicContact NH1-OE1 2.8Å; R66-E102 PolarHBondContact NH1-OE1 3.43Å; R66-E102 VanDerWaalsContact NH1-OE1 3.16Å; R66-E102 IonicContact NH1-OE2 3.6Å; R66-E102 PolarHBondContact NH1-OE2 2.93Å; R66-E102 IonicContact NH2-OE2 2.74Å; R66-E102 PolarHBondContact NH2-OE2 3.47Å; T96-E102 HydrophobicContact CG2-CG 4.4Å; T96-E102 VanDerWaalsContact CG2-OE2 3.29Å; T96-E102 WeakPolarHBondContact CG2-OE2 3.32Å; L100-E102 HydrophobicContact CB-CG 3.76Å; L100-E102 HydrophobicContact CD1-CG 3.9Å; L100-E102 HydrophobicContact CG-CG 4.45Å; L100-E102 PolarHBondContact O-N 2.83Å; L100-E102 VanDerWaalsContact O-N 3.1Å; E102-P104 VanDerWaalsContact C-CD 3.45Å; E102-V105 WeakPolarHBondContact O-CA 3.47Å; E102-V105 WeakPolarHBondContact O-CB 3.3Å; E102-V105 PolarHBondContact O-N 2.78Å; E102-L106 PolarHBondContact O-N 2.83Å
103	V	71.1	Confident	70.3	Confident	9 Å²	9	43.8 Å²	43.8	6%	0.055	20%	0.202	C	C	.	.	H	α-helix	trans	-55.2	-44.1	-176.8	-178.8	0	0	0	0	112.3	N101 V105 L106 L107 K123 M183 E185 L216	N101-V103 PolarHBondContact O-N 3.15Å; N101-V103 WeakPolarHBondContact OD1-CB 3.43Å; N101-V103 WeakPolarHBondContact OD1-CG2 3.4Å; N101-V103 PolarHBondContact OD1-N 3.46Å; V103-V105 PolarHBondContact O-N 3.09Å; V103-L106 PolarHBondContact O-N 3.38Å; V103-L107 HydrophobicContact CG1-CD1 3.67Å; V103-L107 HydrophobicContact CG1-CG 3.94Å; V103-L107 VanDerWaalsContact O-CB 3.23Å; V103-L107 WeakPolarHBondContact O-CB 3.49Å; V103-L107 WeakPolarHBondContact O-CG 3.32Å; V103-L107 PolarHBondContact O-N 2.79Å; V103-K123 VanDerWaalsContact CG1-CE 3.46Å; V103-M183 HydrophobicContact CG1-SD 3.85Å; V103-E185 HydrophobicContact CG2-CG 3.69Å; V103-L216 HydrophobicContact CG2-CD1 3.74Å
104	P	71.1	Confident	69.6	Low	74 Å²	74	46.2 Å²	46.2	48%	0.481	22%	0.223	S	C	.	.	H	α-helix	trans	-61	-32.5	177	-21.7	35.6	0	0	0	113	N101 E102 R108	N101-P104 WeakPolarHBondContact O-CD 3.28Å; E102-P104 VanDerWaalsContact C-CD 3.45Å; P104-R108 WeakPolarHBondContact O-CB 3.34Å; P104-R108 PolarHBondContact O-N 2.98Å; P104-R108 VanDerWaalsContact O-N 3.07Å
105	V	66	Low	68.9	Low	14 Å²	14	50.4 Å²	50.4	9%	0.085	25%	0.252	C	S	.	.	H	α-helix	trans	-65.3	-59.3	176.5	179.4	0	0	0	0	109.4	H59 Y63 E102 V103 L107 R108 S109	H59-V105 WeakPolarHBondContact CD2-CG2 3.38Å; H59-V105 VanDerWaalsContact CE1-CG1 3.49Å; H59-V105 WeakPolarHBondContact CE1-CG1 3.47Å; H59-V105 WeakPolarHBondContact NE2-CA 3.5Å; H59-V105 WeakPolarHBondContact NE2-CB 3.32Å; H59-V105 WeakPolarHBondContact NE2-CG1 3.44Å; H59-V105 WeakPolarHBondContact NE2-CG2 3.24Å; Y63-V105 HydrophobicContact CD1-CG1 3.73Å; Y63-V105 HydrophobicContact CD2-CG1 3.75Å; Y63-V105 HydrophobicContact CE1-CG1 4.17Å; Y63-V105 HydrophobicContact CE2-CG1 4.22Å; Y63-V105 HydrophobicContact CE2-CG2 4.21Å; Y63-V105 HydrophobicContact CG-CG1 3.49Å; Y63-V105 VanDerWaalsContact CG-CG1 3.49Å; E102-V105 WeakPolarHBondContact O-CA 3.47Å; E102-V105 WeakPolarHBondContact O-CB 3.3Å; E102-V105 PolarHBondContact O-N 2.78Å; V103-V105 PolarHBondContact O-N 3.09Å; V105-L107 VanDerWaalsContact C-N 3.25Å; V105-L107 PolarHBondContact O-N 3.42Å; V105-R108 WeakPolarHBondContact O-CA 3.45Å; V105-R108 VanDerWaalsContact O-CB 3.3Å; V105-R108 WeakPolarHBondContact O-CB 3.37Å; V105-R108 PolarHBondContact O-N 3.35Å; V105-S109 PolarHBondContact O-N 3.21Å; V105-S109 PolarHBondContact O-OG 3.16Å
106	L	75.5	Confident	68.3	Low	4 Å²	4	57.8 Å²	57.8	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-60.4	-36.6	-179.5	-65.4	170.7	0	0	0	111.9	E102 V103 R108 S109 L110 L216	E102-L106 PolarHBondContact O-N 2.83Å; V103-L106 PolarHBondContact O-N 3.38Å; L106-R108 VanDerWaalsContact C-N 3.34Å; L106-R108 PolarHBondContact O-N 3.29Å; L106-S109 PolarHBondContact O-N 2.9Å; L106-L110 WeakPolarHBondContact O-CB 3.07Å; L106-L110 WeakPolarHBondContact O-CG 3.41Å; L106-L110 PolarHBondContact O-N 3.46Å; L106-L216 HydrophobicContact CD1-CD1 4.19Å; L106-L216 HydrophobicContact CD1-CD2 3.25Å; L106-L216 HydrophobicContact CD1-CG 4.21Å
107	L	80.3	Confident	68.1	Low	40 Å²	40	57.5 Å²	57.5	21%	0.209	28%	0.278	C	S	.	.	H	α-helix	trans	-63.8	-37.9	173.9	-74.5	175.8	0	0	0	112.4	V103 V105 K111 L121 K123 M183	V103-L107 HydrophobicContact CG1-CD1 3.67Å; V103-L107 HydrophobicContact CG1-CG 3.94Å; V103-L107 VanDerWaalsContact O-CB 3.23Å; V103-L107 WeakPolarHBondContact O-CB 3.49Å; V103-L107 WeakPolarHBondContact O-CG 3.32Å; V103-L107 PolarHBondContact O-N 2.79Å; V105-L107 VanDerWaalsContact C-N 3.25Å; V105-L107 PolarHBondContact O-N 3.42Å; L107-K111 WeakPolarHBondContact O-CB 3.39Å; L107-K111 VanDerWaalsContact O-CG 3.25Å; L107-K111 WeakPolarHBondContact O-CG 3.39Å; L107-K111 PolarHBondContact O-N 3.44Å; L107-L121 HydrophobicContact CD2-CD2 3.37Å; L107-K123 HydrophobicContact CD1-CD 4.38Å; L107-K123 HydrophobicContact CD2-CD 4.15Å; L107-M183 HydrophobicContact CD2-CE 3.53Å; L107-M183 HydrophobicContact CG-CE 4.06Å
108	R	75.3	Confident	68.7	Low	92 Å²	92	58.8 Å²	58.8	35%	0.347	29%	0.29	S	S	.	.	H	α-helix	trans	-65.6	-43.7	174.8	-170.1	-172.2	-63.5	175.6	0.8	110.2	D60 P104 V105 L106 K111 K112	D60-R108 IonicContact OD1-NH1 3.29Å; P104-R108 WeakPolarHBondContact O-CB 3.34Å; P104-R108 PolarHBondContact O-N 2.98Å; P104-R108 VanDerWaalsContact O-N 3.07Å; V105-R108 WeakPolarHBondContact O-CA 3.45Å; V105-R108 VanDerWaalsContact O-CB 3.3Å; V105-R108 WeakPolarHBondContact O-CB 3.37Å; V105-R108 PolarHBondContact O-N 3.35Å; L106-R108 VanDerWaalsContact C-N 3.34Å; L106-R108 PolarHBondContact O-N 3.29Å; R108-K111 WeakPolarHBondContact O-CB 3.43Å; R108-K111 PolarHBondContact O-N 2.96Å; R108-K112 PolarHBondContact O-N 3.47Å; R108-K112 VanDerWaalsContact O-N 3.11Å
109	S	74.6	Confident	70.1	Confident	4 Å²	4	53.6 Å²	53.6	3%	0.028	27%	0.271	C	S	.	.	H	α-helix	trans	-64.2	-44.9	177.9	-39.8	0	0	0	0	111.8	E67 V105 L106 K111 K112 C113	E67-S109 VanDerWaalsContact CD-OG 3.32Å; E67-S109 VanDerWaalsContact CG-OG 3.27Å; E67-S109 WeakPolarHBondContact CG-OG 3.29Å; E67-S109 WeakPolarHBondContact OE1-CA 3.4Å; E67-S109 WeakPolarHBondContact OE1-CB 3.33Å; E67-S109 PolarHBondContact OE1-OG 3.18Å; V105-S109 PolarHBondContact O-N 3.21Å; V105-S109 PolarHBondContact O-OG 3.16Å; L106-S109 PolarHBondContact O-N 2.9Å; S109-K111 VanDerWaalsContact C-N 3.33Å; S109-K111 PolarHBondContact O-N 2.74Å; S109-K112 WeakPolarHBondContact O-CB 3.3Å; S109-K112 PolarHBondContact O-N 3.48Å; S109-K112 VanDerWaalsContact O-N 3.12Å; S109-C113 PolarHBondContact O-N 2.98Å; S109-C113 PolarHBondContact O-SG 2.82Å
110	L	79.3	Confident	71.8	Confident	1 Å²	1	50 Å²	50	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-40.7	174.2	-73.1	171.3	0	0	0	111.7	L70 M74 L106 K112 C113 A114 F119 L121 V181 M183 I214	L70-L110 HydrophobicContact CD1-CD2 4.43Å; L70-L110 HydrophobicContact CD2-CD2 3.87Å; L70-L110 HydrophobicContact CD2-CG 4.02Å; L70-L110 HydrophobicContact CG-CD2 4.38Å; M74-L110 HydrophobicContact CE-CD2 4.09Å; M74-L110 HydrophobicContact SD-CD2 3.42Å; M74-L110 WeakPolarHBondContact SD-CD2 3.46Å; L106-L110 WeakPolarHBondContact O-CB 3.07Å; L106-L110 WeakPolarHBondContact O-CG 3.41Å; L106-L110 PolarHBondContact O-N 3.46Å; L110-K112 VanDerWaalsContact C-N 3.29Å; L110-K112 PolarHBondContact O-N 3.49Å; L110-C113 WeakPolarHBondContact O-CA 3.33Å; L110-C113 VanDerWaalsContact O-CB 3.31Å; L110-C113 WeakPolarHBondContact O-CB 3.48Å; L110-C113 PolarHBondContact O-N 3.2Å; L110-A114 PolarHBondContact O-N 2.72Å; L110-F119 HydrophobicContact CB-CZ 4.12Å; L110-F119 VanDerWaalsContact O-CE1 3.32Å; L110-F119 WeakPolarHBondContact O-CE1 3.17Å; L110-F119 WeakPolarHBondContact O-CZ 3.48Å; L110-L121 HydrophobicContact CD1-CD1 3.92Å; L110-L121 HydrophobicContact CD1-CD2 4.06Å; L110-V181 HydrophobicContact CD2-CG1 4.43Å; L110-M183 HydrophobicContact CD1-CE 3.43Å; L110-M183 VanDerWaalsContact CD1-CE 3.43Å; L110-I214 HydrophobicContact CD1-CD1 4.15Å; L110-I214 HydrophobicContact CD2-CD1 3.96Å
111	K	80.6	Confident	73.7	Confident	165 Å²	165	51.1 Å²	51.1	72%	0.717	27%	0.265	S	S	*	.	H	α-helix	trans	-61	-36.7	174.6	-78.6	175	-178.3	-176.7	0	112.6	L107 R108 S109 C113 A114	L107-K111 WeakPolarHBondContact O-CB 3.39Å; L107-K111 VanDerWaalsContact O-CG 3.25Å; L107-K111 WeakPolarHBondContact O-CG 3.39Å; L107-K111 PolarHBondContact O-N 3.44Å; R108-K111 WeakPolarHBondContact O-CB 3.43Å; R108-K111 PolarHBondContact O-N 2.96Å; S109-K111 VanDerWaalsContact C-N 3.33Å; S109-K111 PolarHBondContact O-N 2.74Å; K111-C113 VanDerWaalsContact C-N 3.35Å; K111-A114 WeakPolarHBondContact O-CB 3.4Å; K111-A114 PolarHBondContact O-N 3.26Å
112	K	72.6	Confident	75.3	Confident	97 Å²	97	46.1 Å²	46.1	42%	0.422	24%	0.239	S	C	.	.	H	α-helix	trans	-65.7	-38.6	171.1	-64.9	176.2	-176	172.5	0	111	E67 R108 S109 L110 A114 S115 Y116	E67-K112 IonicContact OE1-NZ 2.81Å; E67-K112 IonicContact OE2-NZ 3.65Å; E67-K112 PolarHBondContact OE2-NZ 3.25Å; R108-K112 PolarHBondContact O-N 3.47Å; R108-K112 VanDerWaalsContact O-N 3.11Å; S109-K112 WeakPolarHBondContact O-CB 3.3Å; S109-K112 PolarHBondContact O-N 3.48Å; S109-K112 VanDerWaalsContact O-N 3.12Å; L110-K112 VanDerWaalsContact C-N 3.29Å; L110-K112 PolarHBondContact O-N 3.49Å; K112-A114 PolarHBondContact O-N 3.42Å; K112-S115 PolarHBondContact O-N 2.91Å; K112-S115 PolarHBondContact O-OG 3.5Å; K112-Y116 VanDerWaalsContact O-CD2 3.3Å; K112-Y116 WeakPolarHBondContact O-CD2 3.37Å; K112-Y116 WeakPolarHBondContact O-CE2 3.45Å
113	C	68.2	Low	76.5	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.02	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-30.4	175	-58.3	0	0	0	0	112.2	L71 M74 S109 L110 K111 S115 Y116 T117 F119	L71-C113 HydrophobicContact CD1-CB 4.16Å; L71-C113 VanDerWaalsContact CD1-SG 3.57Å; M74-C113 HydrophobicContact CE-CB 4.18Å; M74-C113 HydrophobicContact SD-CB 3.96Å; S109-C113 PolarHBondContact O-N 2.98Å; S109-C113 PolarHBondContact O-SG 2.82Å; L110-C113 WeakPolarHBondContact O-CA 3.33Å; L110-C113 VanDerWaalsContact O-CB 3.31Å; L110-C113 WeakPolarHBondContact O-CB 3.48Å; L110-C113 PolarHBondContact O-N 3.2Å; K111-C113 VanDerWaalsContact C-N 3.35Å; C113-S115 PolarHBondContact O-N 2.98Å; C113-S115 VanDerWaalsContact O-N 3.13Å; C113-Y116 PolarHBondContact O-N 3.4Å; C113-T117 PolarHBondContact O-N 3.46Å; C113-F119 HydrophobicContact CB-CE1 4.16Å
114	A	69.5	Low	77.5	Confident	55 Å²	55	48.6 Å²	48.6	46%	0.455	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.1	-177.3	0	0	0	0	0	113.4	L110 K111 K112 Y116 F119	L110-A114 PolarHBondContact O-N 2.72Å; K111-A114 WeakPolarHBondContact O-CB 3.4Å; K111-A114 PolarHBondContact O-N 3.26Å; K112-A114 PolarHBondContact O-N 3.42Å; A114-Y116 VanDerWaalsContact C-N 3.29Å; A114-F119 VanDerWaalsContact CA-CE1 3.48Å; A114-F119 HydrophobicContact CB-CD1 4.42Å; A114-F119 HydrophobicContact CB-CE1 3.57Å; A114-F119 HydrophobicContact CB-CZ 3.81Å
115	S	68.1	Low	78.3	Confident	89 Å²	89	49.1 Å²	49.1	62%	0.622	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-16.7	172.2	55.6	0	0	0	0	113.7	K112 C113	K112-S115 PolarHBondContact O-N 2.91Å; K112-S115 PolarHBondContact O-OG 3.5Å; C113-S115 PolarHBondContact O-N 2.98Å; C113-S115 VanDerWaalsContact O-N 3.13Å
116	Y	65	Low	79.1	Confident	163 Å²	163	49.7 Å²	49.7	64%	0.639	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-29.5	-177.6	-55.8	-79.4	0	0	0	112.6	L71 K112 C113 A114	L71-Y116 HydrophobicContact CD1-CD2 4.13Å; K112-Y116 VanDerWaalsContact O-CD2 3.3Å; K112-Y116 WeakPolarHBondContact O-CD2 3.37Å; K112-Y116 WeakPolarHBondContact O-CE2 3.45Å; C113-Y116 PolarHBondContact O-N 3.4Å; A114-Y116 VanDerWaalsContact C-N 3.29Å
117	T	67.3	Low	79.5	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.018	28%	0.275	C	S	.	.	S	Bend	trans	-134	115	-165.2	-68.2	0	0	0	0	109.4	M74 Q78 C113 F119	M74-T117 HydrophobicContact CE-CG2 4.06Å; Q78-T117 HydrophobicContact CG-CG2 4.04Å; Q78-T117 PolarHBondContact OE1-OG1 2.93Å; C113-T117 PolarHBondContact O-N 3.46Å; T117-F119 HydrophobicContact CG2-CD1 4.15Å; T117-F119 VanDerWaalsContact O-CD1 3.25Å; T117-F119 WeakPolarHBondContact O-CD1 3.43Å; T117-F119 PolarHBondContact O-N 3.37Å
118	P	76.4	Confident	79.8	Confident	67 Å²	67	58.6 Å²	58.6	44%	0.435	29%	0.288	S	S	.	.			trans	-69.6	116.8	172.9	26.7	-33.1	0	0	0	110.7	L179	P118-L179 PolarHBondContact O-N 2.82Å
119	F	84	Confident	80.6	Confident	36 Å²	36	54.9 Å²	54.9	16%	0.158	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	160.1	175.9	69.2	-98.6	0	0	0	112.9	M74 L110 C113 A114 T117 L121 L179 V181	M74-F119 HydrophobicContact CE-CD1 3.62Å; M74-F119 HydrophobicContact CE-CE1 3.92Å; M74-F119 HydrophobicContact CE-CG 4.11Å; L110-F119 HydrophobicContact CB-CZ 4.12Å; L110-F119 VanDerWaalsContact O-CE1 3.32Å; L110-F119 WeakPolarHBondContact O-CE1 3.17Å; L110-F119 WeakPolarHBondContact O-CZ 3.48Å; C113-F119 HydrophobicContact CB-CE1 4.16Å; A114-F119 VanDerWaalsContact CA-CE1 3.48Å; A114-F119 HydrophobicContact CB-CD1 4.42Å; A114-F119 HydrophobicContact CB-CE1 3.57Å; A114-F119 HydrophobicContact CB-CZ 3.81Å; T117-F119 HydrophobicContact CG2-CD1 4.15Å; T117-F119 VanDerWaalsContact O-CD1 3.25Å; T117-F119 WeakPolarHBondContact O-CD1 3.43Å; T117-F119 PolarHBondContact O-N 3.37Å; F119-L121 HydrophobicContact CD2-CB 4.18Å; F119-L121 HydrophobicContact CE2-CB 3.91Å; F119-L179 CarbonylContact C-O 3.59Å; F119-L179 WeakPolarHBondContact CA-O 3.38Å; F119-L179 HydrophobicContact CB-CB 4.03Å; F119-L179 VanDerWaalsContact CB-O 3.27Å; F119-L179 WeakPolarHBondContact CB-O 3.42Å; F119-V181 HydrophobicContact CB-CG2 3.92Å; F119-V181 HydrophobicContact CD2-CB 4.37Å; F119-V181 HydrophobicContact CD2-CG2 3.98Å; F119-V181 HydrophobicContact CG-CG2 4.03Å
120	S	87.7	Confident	81.3	Confident	9 Å²	9	64 Å²	64	6%	0.063	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.2	166.2	-75.7	0	0	0	0	109.8	Y146 L179 V181	S120-Y146 VanDerWaalsContact OG-CD2 3.31Å; S120-Y146 WeakPolarHBondContact OG-CD2 3.37Å; S120-L179 PolarHBondContact N-O 3.34Å; S120-V181 PolarHBondContact O-N 3.03Å
121	L	90.5	Very high	81.9	Confident	41 Å²	41	66.9 Å²	66.9	22%	0.215	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	123.6	-177.5	178.8	66.2	0	0	0	111.7	L107 L110 F119 I142 V181 M183	L107-L121 HydrophobicContact CD2-CD2 3.37Å; L110-L121 HydrophobicContact CD1-CD1 3.92Å; L110-L121 HydrophobicContact CD1-CD2 4.06Å; F119-L121 HydrophobicContact CD2-CB 4.18Å; F119-L121 HydrophobicContact CE2-CB 3.91Å; L121-I142 WeakPolarHBondContact O-CG2 3.3Å; L121-V181 CarbonylContact C-O 3.58Å; L121-V181 WeakPolarHBondContact CA-O 3.42Å; L121-V181 HydrophobicContact CD1-CB 3.96Å; L121-V181 HydrophobicContact CD1-CG1 3.66Å; L121-M183 HydrophobicContact CD1-CB 4.19Å; L121-M183 HydrophobicContact CD1-CE 4Å; L121-M183 HydrophobicContact CD2-CE 4.14Å
122	V	91.8	Very high	82.5	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.2	171.4	-173.2	0	0	0	0	108.8	I124 E138 I139 I142 L180 V181 M183	V122-I124 HydrophobicContact CG1-CD1 3.77Å; V122-I124 HydrophobicContact CG1-CG1 4.28Å; V122-E138 HydrophobicContact CG1-CG 3.95Å; V122-I139 HydrophobicContact CG1-CG1 4Å; V122-I139 HydrophobicContact CG2-CG1 4.36Å; V122-I142 HydrophobicContact CB-CG1 4.46Å; V122-I142 HydrophobicContact CG1-CG1 4.4Å; V122-I142 HydrophobicContact CG2-CB 3.76Å; V122-I142 HydrophobicContact CG2-CG1 3.93Å; V122-I142 HydrophobicContact CG2-CG2 3.78Å; V122-L180 HydrophobicContact CG2-CD1 3.59Å; V122-V181 PolarHBondContact N-O 3.34Å; V122-M183 PolarHBondContact O-N 3.45Å
123	K	92.1	Very high	83.4	Confident	60 Å²	60	59.5 Å²	59.5	26%	0.261	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.7	175.5	-60.5	-176.5	73.9	-141.6	0	109.5	V103 L107 M183 E185	V103-K123 VanDerWaalsContact CG1-CE 3.46Å; L107-K123 HydrophobicContact CD1-CD 4.38Å; L107-K123 HydrophobicContact CD2-CD 4.15Å; K123-M183 CarbonylContact C-O 3.57Å; K123-M183 WeakPolarHBondContact CA-O 3.4Å; K123-E185 WeakPolarHBondContact CE-OE1 3.44Å; K123-E185 IonicContact NZ-OE1 3.69Å; K123-E185 PolarHBondContact NZ-OE1 2.84Å
124	I	91	Very high	84.5	Confident	3 Å²	3	62.9 Å²	62.9	2%	0.015	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.2	178.9	-55.4	-59	0	0	0	108.2	V122 Q129 V135 E138 V182 M183 V184 E185 F190	V122-I124 HydrophobicContact CG1-CD1 3.77Å; V122-I124 HydrophobicContact CG1-CG1 4.28Å; I124-Q129 HydrophobicContact CD1-CG 4.47Å; I124-Q129 HydrophobicContact CG2-CB 4.22Å; I124-Q129 HydrophobicContact CG2-CG 4.35Å; I124-V135 HydrophobicContact CD1-CG1 3.98Å; I124-V135 HydrophobicContact CG1-CG1 4.36Å; I124-V135 HydrophobicContact CG2-CG2 4.11Å; I124-E138 HydrophobicContact CD1-CB 4.14Å; I124-E138 HydrophobicContact CD1-CG 4.15Å; I124-V182 HydrophobicContact CG1-CG1 3.86Å; I124-M183 PolarHBondContact N-O 3.16Å; I124-V184 HydrophobicContact CB-CG2 4.44Å; I124-E185 PolarHBondContact O-N 3.37Å; I124-F190 HydrophobicContact CG2-CE1 4.21Å; I124-F190 HydrophobicContact CG2-CZ 3.79Å
125	R	88.8	Confident	85.6	Confident	85 Å²	85	60.3 Å²	60.3	32%	0.321	30%	0.297	S	S	.	.			trans	-133.9	138.5	-172.1	-70.5	-177.6	-68.1	167.5	5.4	111	D127 F128 Q129 E185	R125-D127 PolarHBondContact O-N 2.88Å; R125-F128 HydrophobicContact CB-CB 4.46Å; R125-F128 HydrophobicContact CB-CD2 3.69Å; R125-F128 HydrophobicContact CG-CD2 4.42Å; R125-F128 VanDerWaalsContact NE-CD2 3.28Å; R125-F128 VanDerWaalsContact NH2-CD2 3.3Å; R125-F128 VanDerWaalsContact NH2-CZ 3.28Å; R125-F128 PolarHBondContact O-N 3.47Å; R125-F128 VanDerWaalsContact O-N 3.09Å; R125-Q129 PolarHBondContact O-N 3.15Å; R125-Q129 PolarHBondContact O-OE1 2.82Å; R125-E185 WeakPolarHBondContact CD-OE2 3.35Å; R125-E185 HydrophobicContact CG-CB 4.04Å; R125-E185 VanDerWaalsContact CG-CD 3.42Å; R125-E185 HydrophobicContact CG-CG 4.03Å; R125-E185 WeakPolarHBondContact CG-OE2 3.42Å
126	P	83.7	Confident	86.7	Confident	26 Å²	26	59.6 Å²	59.6	17%	0.169	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-30.8	-175.9	25.3	-34.6	0	0	0	112.7	F128 E185 E186 M189 F190	P126-F128 VanDerWaalsContact C-N 3.28Å; P126-F128 PolarHBondContact O-N 2.87Å; P126-E185 WeakPolarHBondContact CD-O 3.19Å; P126-E186 HydrophobicContact CG-CB 4.17Å; P126-M189 HydrophobicContact CB-CB 4Å; P126-M189 HydrophobicContact CG-CB 4.06Å; P126-F190 HydrophobicContact CB-CD2 4.32Å; P126-F190 HydrophobicContact CB-CE1 4.32Å; P126-F190 HydrophobicContact CB-CE2 4.04Å; P126-F190 HydrophobicContact CB-CZ 4.04Å; P126-F190 HydrophobicContact CG-CE2 4.39Å; P126-F190 VanDerWaalsContact N-CZ 3.28Å
127	D	83.8	Confident	87.9	Confident	122 Å²	122	55 Å²	55	65%	0.652	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-25.3	178.1	-66.4	-27	0	0	0	113.9	R125	R125-D127 PolarHBondContact O-N 2.88Å
128	F	86.8	Confident	89.1	Confident	109 Å²	109	57.3 Å²	57.3	48%	0.478	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-34.2	-169.6	-65.5	-88.4	0	0	0	113.4	R125 P126	R125-F128 HydrophobicContact CB-CB 4.46Å; R125-F128 HydrophobicContact CB-CD2 3.69Å; R125-F128 HydrophobicContact CG-CD2 4.42Å; R125-F128 VanDerWaalsContact NE-CD2 3.28Å; R125-F128 VanDerWaalsContact NH2-CD2 3.3Å; R125-F128 VanDerWaalsContact NH2-CZ 3.28Å; R125-F128 PolarHBondContact O-N 3.47Å; R125-F128 VanDerWaalsContact O-N 3.09Å; P126-F128 VanDerWaalsContact C-N 3.28Å; P126-F128 PolarHBondContact O-N 2.87Å
129	Q	91	Very high	89.8	Confident	15 Å²	15	54.2 Å²	54.2	7%	0.07	26%	0.258	C	S	.	.			trans	-113.2	107.9	179.5	-72.1	80.9	35.3	0	0	109.9	I124 R125 E134 V135 F190	I124-Q129 HydrophobicContact CD1-CG 4.47Å; I124-Q129 HydrophobicContact CG2-CB 4.22Å; I124-Q129 HydrophobicContact CG2-CG 4.35Å; R125-Q129 PolarHBondContact O-N 3.15Å; R125-Q129 PolarHBondContact O-OE1 2.82Å; Q129-E134 WeakPolarHBondContact CA-OE2 3.42Å; Q129-E134 HydrophobicContact CB-CB 4.37Å; Q129-E134 HydrophobicContact CG-CB 4.13Å; Q129-V135 HydrophobicContact CB-CG2 3.75Å; Q129-V135 HydrophobicContact CG-CG2 4.01Å; Q129-F190 WeakPolarHBondContact O-CE1 3.29Å
130	R	88.6	Confident	90.1	Very high	195 Å²	195	52.7 Å²	52.7	74%	0.736	25%	0.252	S	S	*	.			trans	-105.5	-11.4	-176.9	-60	-177.2	-178	-174.6	-0.2	113.5	E134	R130-E134 PolarHBondContact N-OE2 2.88Å
131	N	92.5	Very high	90.2	Very high	62 Å²	62	53.5 Å²	53.5	33%	0.332	26%	0.256	S	S	.	.	S	Bend	trans	-147.1	166.7	177.9	59.1	65.4	0	0	0	111.2	S133 E134 V135 L194	N131-S133 VanDerWaalsContact C-N 3.31Å; N131-S133 PolarHBondContact O-N 2.91Å; N131-S133 WeakPolarHBondContact OD1-CB 3.4Å; N131-S133 PolarHBondContact OD1-N 3.13Å; N131-E134 PolarHBondContact ND2-OE1 2.98Å; N131-E134 PolarHBondContact O-N 3.49Å; N131-E134 WeakPolarHBondContact OD1-CG 3.18Å; N131-E134 PolarHBondContact OD1-N 3.3Å; N131-V135 PolarHBondContact O-N 3.11Å; N131-L194 VanDerWaalsContact C-CD1 3.48Å
132	I	92.5	Very high	90.2	Very high	31 Å²	31	52.9 Å²	52.9	16%	0.159	25%	0.252	C	S	.	.	H	α-helix	trans	-65.1	-31.6	-176.7	-168.8	59.7	0	0	0	113.4	E134 V135 Q136 L194 E197 F198 L201	I132-E134 PolarHBondContact O-N 3.31Å; I132-V135 HydrophobicContact CD1-CB 4.4Å; I132-V135 WeakPolarHBondContact O-CB 3.45Å; I132-V135 PolarHBondContact O-N 3.29Å; I132-Q136 HydrophobicContact CG1-CG 4.46Å; I132-Q136 WeakPolarHBondContact O-CG 3.45Å; I132-Q136 PolarHBondContact O-N 3.22Å; I132-L194 HydrophobicContact CB-CD1 4.2Å; I132-E197 HydrophobicContact CB-CB 4.22Å; I132-E197 WeakPolarHBondContact CB-OE2 3.44Å; I132-E197 HydrophobicContact CD1-CB 4.09Å; I132-E197 HydrophobicContact CG1-CB 4.14Å; I132-F198 HydrophobicContact CD1-CB 4.46Å; I132-L201 HydrophobicContact CD1-CB 4.25Å; I132-L201 HydrophobicContact CD1-CD2 3.87Å
133	S	91.9	Very high	90	Very high	76 Å²	76	52.9 Å²	52.9	53%	0.531	25%	0.252	S	S	.	.	H	α-helix	trans	-63.8	-41	178.7	-55.1	0	0	0	0	111.6	N131 Q136 Q137	N131-S133 VanDerWaalsContact C-N 3.31Å; N131-S133 PolarHBondContact O-N 2.91Å; N131-S133 WeakPolarHBondContact OD1-CB 3.4Å; N131-S133 PolarHBondContact OD1-N 3.13Å; S133-Q136 PolarHBondContact O-N 2.94Å; S133-Q137 VanDerWaalsContact O-CB 3.32Å; S133-Q137 WeakPolarHBondContact O-CB 3.24Å; S133-Q137 PolarHBondContact O-N 3.24Å
134	E	92.4	Very high	89.8	Confident	73 Å²	73	50.4 Å²	50.4	34%	0.341	24%	0.243	S	C	.	.	H	α-helix	trans	-65.9	-37.5	175.2	-72.2	165.4	-165.8	0	0	112.1	Q129 R130 N131 I132 Q137 E138	Q129-E134 WeakPolarHBondContact CA-OE2 3.42Å; Q129-E134 HydrophobicContact CB-CB 4.37Å; Q129-E134 HydrophobicContact CG-CB 4.13Å; R130-E134 PolarHBondContact N-OE2 2.88Å; N131-E134 PolarHBondContact ND2-OE1 2.98Å; N131-E134 PolarHBondContact O-N 3.49Å; N131-E134 WeakPolarHBondContact OD1-CG 3.18Å; N131-E134 PolarHBondContact OD1-N 3.3Å; I132-E134 PolarHBondContact O-N 3.31Å; E134-Q137 PolarHBondContact O-N 3.35Å; E134-E138 PolarHBondContact O-N 2.75Å
135	V	91.7	Very high	89.5	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-64.5	-47.9	174.1	176.8	0	0	0	0	111	I124 Q129 N131 I132 Q137 E138 I139 F198	I124-V135 HydrophobicContact CD1-CG1 3.98Å; I124-V135 HydrophobicContact CG1-CG1 4.36Å; I124-V135 HydrophobicContact CG2-CG2 4.11Å; Q129-V135 HydrophobicContact CB-CG2 3.75Å; Q129-V135 HydrophobicContact CG-CG2 4.01Å; N131-V135 PolarHBondContact O-N 3.11Å; I132-V135 HydrophobicContact CD1-CB 4.4Å; I132-V135 WeakPolarHBondContact O-CB 3.45Å; I132-V135 PolarHBondContact O-N 3.29Å; V135-Q137 VanDerWaalsContact C-N 3.31Å; V135-Q137 PolarHBondContact O-N 3.06Å; V135-E138 PolarHBondContact O-N 2.95Å; V135-I139 HydrophobicContact CG1-CD1 4.09Å; V135-I139 WeakPolarHBondContact O-CG1 3.21Å; V135-I139 PolarHBondContact O-N 2.91Å; V135-F198 HydrophobicContact CG1-CD2 3.81Å; V135-F198 HydrophobicContact CG1-CE2 4.23Å
136	Q	92.4	Very high	89.3	Confident	73 Å²	73	56 Å²	56	34%	0.341	26%	0.264	S	S	.	.	H	α-helix	trans	-59.3	-42.7	176.5	-75.2	177.8	-9.9	0	0	111.8	I132 S133 I139 A140 L162 L201	I132-Q136 HydrophobicContact CG1-CG 4.46Å; I132-Q136 WeakPolarHBondContact O-CG 3.45Å; I132-Q136 PolarHBondContact O-N 3.22Å; S133-Q136 PolarHBondContact O-N 2.94Å; Q136-I139 PolarHBondContact O-N 3.2Å; Q136-A140 WeakPolarHBondContact O-CB 3.41Å; Q136-A140 PolarHBondContact O-N 3.35Å; Q136-L162 HydrophobicContact CG-CD2 4.46Å; Q136-L201 HydrophobicContact CG-CD1 4.18Å; Q136-L201 HydrophobicContact CG-CD2 3.46Å; Q136-L201 VanDerWaalsContact CG-CD2 3.46Å; Q136-L201 HydrophobicContact CG-CG 4.46Å
137	Q	90.2	Very high	89.4	Confident	68 Å²	68	54.8 Å²	54.8	32%	0.318	26%	0.256	S	S	.	.	H	α-helix	trans	-64.7	-40.5	179.1	-171.5	58.9	51.8	0	0	111.8	S133 E134 V135 A140 N141 A158	S133-Q137 VanDerWaalsContact O-CB 3.32Å; S133-Q137 WeakPolarHBondContact O-CB 3.24Å; S133-Q137 PolarHBondContact O-N 3.24Å; E134-Q137 PolarHBondContact O-N 3.35Å; V135-Q137 VanDerWaalsContact C-N 3.31Å; V135-Q137 PolarHBondContact O-N 3.06Å; Q137-A140 PolarHBondContact O-N 2.98Å; Q137-N141 PolarHBondContact NE2-OD1 2.83Å; Q137-N141 WeakPolarHBondContact O-CB 3.29Å; Q137-N141 PolarHBondContact O-N 3.23Å; Q137-N141 PolarHBondContact O-ND2 3.22Å; Q137-A158 PolarHBondContact NE2-O 2.82Å
138	E	91.6	Very high	89.4	Confident	51 Å²	51	53.1 Å²	53.1	24%	0.238	24%	0.243	C	C	.	.	H	α-helix	trans	-66.1	-41.9	177.1	-171.4	58.6	-159.4	0	0	111.6	V122 I124 E134 V135 N141 I142	V122-E138 HydrophobicContact CG1-CG 3.95Å; I124-E138 HydrophobicContact CD1-CB 4.14Å; I124-E138 HydrophobicContact CD1-CG 4.15Å; E134-E138 PolarHBondContact O-N 2.75Å; V135-E138 PolarHBondContact O-N 2.95Å; E138-N141 PolarHBondContact O-N 3.34Å; E138-I142 WeakPolarHBondContact O-CG1 3.27Å; E138-I142 PolarHBondContact O-N 3.39Å; E138-I142 VanDerWaalsContact O-N 3.16Å
139	I	91.3	Very high	89.2	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-59.8	-47.8	172.9	-66.2	168.3	0	0	0	110.4	V122 V135 Q136 N141 I142 L143 L162 L180 L201	V122-I139 HydrophobicContact CG1-CG1 4Å; V122-I139 HydrophobicContact CG2-CG1 4.36Å; V135-I139 HydrophobicContact CG1-CD1 4.09Å; V135-I139 WeakPolarHBondContact O-CG1 3.21Å; V135-I139 PolarHBondContact O-N 2.91Å; Q136-I139 PolarHBondContact O-N 3.2Å; I139-N141 PolarHBondContact O-N 3.08Å; I139-I142 PolarHBondContact O-N 3.33Å; I139-L143 HydrophobicContact CG2-CD1 3.87Å; I139-L143 HydrophobicContact CG2-CG 4.43Å; I139-L143 WeakPolarHBondContact O-CG 3.34Å; I139-L143 PolarHBondContact O-N 3.04Å; I139-L162 HydrophobicContact CG2-CD1 3.92Å; I139-L180 HydrophobicContact CG2-CD2 3.92Å; I139-L201 HydrophobicContact CD1-CD2 4.32Å
140	A	90.6	Very high	88.7	Confident	3 Å²	3	58.8 Å²	58.8	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-59.9	-44	178.5	0	0	0	0	0	111.8	Q136 Q137 I142 L143 A144 L162 I165	Q136-A140 WeakPolarHBondContact O-CB 3.41Å; Q136-A140 PolarHBondContact O-N 3.35Å; Q137-A140 PolarHBondContact O-N 2.98Å; A140-I142 PolarHBondContact O-N 3.28Å; A140-L143 PolarHBondContact O-N 3.37Å; A140-A144 WeakPolarHBondContact O-CB 3.34Å; A140-A144 PolarHBondContact O-N 3.29Å; A140-L162 HydrophobicContact CB-CB 4.38Å; A140-L162 HydrophobicContact CB-CD1 4.36Å; A140-I165 HydrophobicContact CB-CD1 3.68Å; A140-I165 VanDerWaalsContact O-CD1 3.3Å; A140-I165 WeakPolarHBondContact O-CD1 3.44Å
141	N	89.6	Confident	88.4	Confident	27 Å²	27	52.2 Å²	52.2	14%	0.144	27%	0.267	C	S	.	.	H	α-helix	trans	-59.1	-44.5	178.5	-74.7	-22.6	0	0	0	112.5	Q137 E138 I139 R145 A158	Q137-N141 PolarHBondContact NE2-OD1 2.83Å; Q137-N141 WeakPolarHBondContact O-CB 3.29Å; Q137-N141 PolarHBondContact O-N 3.23Å; Q137-N141 PolarHBondContact O-ND2 3.22Å; E138-N141 PolarHBondContact O-N 3.34Å; I139-N141 PolarHBondContact O-N 3.08Å; N141-R145 VanDerWaalsContact O-CG 3.3Å; N141-R145 WeakPolarHBondContact O-CG 3.49Å; N141-R145 PolarHBondContact O-N 3.15Å; N141-R145 VanDerWaalsContact O-N 3.15Å; N141-A158 PolarHBondContact OD1-O 3.48Å
142	I	89.5	Confident	87.8	Confident	28 Å²	28	52.1 Å²	52.1	14%	0.144	27%	0.266	C	S	.	.	H	α-helix	trans	-69.1	-45.3	179.9	-65.5	-62.2	0	0	0	111.1	L121 V122 E138 I139 A140 R145 Y146	L121-I142 WeakPolarHBondContact O-CG2 3.3Å; V122-I142 HydrophobicContact CB-CG1 4.46Å; V122-I142 HydrophobicContact CG1-CG1 4.4Å; V122-I142 HydrophobicContact CG2-CB 3.76Å; V122-I142 HydrophobicContact CG2-CG1 3.93Å; V122-I142 HydrophobicContact CG2-CG2 3.78Å; E138-I142 WeakPolarHBondContact O-CG1 3.27Å; E138-I142 PolarHBondContact O-N 3.39Å; E138-I142 VanDerWaalsContact O-N 3.16Å; I139-I142 PolarHBondContact O-N 3.33Å; A140-I142 PolarHBondContact O-N 3.28Å; I142-R145 WeakPolarHBondContact O-CB 3.48Å; I142-R145 PolarHBondContact O-N 3.4Å; I142-Y146 PolarHBondContact O-N 2.8Å
143	L	88.6	Confident	87	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.5	-36.6	178.5	-69.1	176.7	0	0	0	112.2	I139 A140 R145 Y146 L147 L162 I165 L169 L178 L180 L209	I139-L143 HydrophobicContact CG2-CD1 3.87Å; I139-L143 HydrophobicContact CG2-CG 4.43Å; I139-L143 WeakPolarHBondContact O-CG 3.34Å; I139-L143 PolarHBondContact O-N 3.04Å; A140-L143 PolarHBondContact O-N 3.37Å; L143-R145 VanDerWaalsContact C-N 3.34Å; L143-R145 PolarHBondContact O-N 3.04Å; L143-Y146 WeakPolarHBondContact O-CB 3.4Å; L143-Y146 PolarHBondContact O-N 3.05Å; L143-Y146 VanDerWaalsContact O-N 3.15Å; L143-L147 WeakPolarHBondContact O-CG 3.31Å; L143-L147 PolarHBondContact O-N 3.11Å; L143-L162 HydrophobicContact CD1-CD1 4.12Å; L143-I165 HydrophobicContact CB-CG2 3.48Å; L143-I165 VanDerWaalsContact CB-CG2 3.48Å; L143-I165 HydrophobicContact CD1-CG2 4.09Å; L143-I165 HydrophobicContact CG-CG2 4.43Å; L143-L169 HydrophobicContact CD1-CD1 4.42Å; L143-L169 HydrophobicContact CD2-CD1 4.22Å; L143-L178 HydrophobicContact CD2-CD2 4.19Å; L143-L180 HydrophobicContact CD1-CD2 4.36Å; L143-L180 HydrophobicContact CD2-CD1 3.97Å; L143-L180 HydrophobicContact CG-CD1 4.33Å; L143-L209 HydrophobicContact CD1-CD1 4.23Å
144	A	87.3	Confident	86.1	Confident	8 Å²	8	55.1 Å²	55.1	7%	0.066	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-40.8	173.8	0	0	0	0	0	111.8	A140 Y146 L147 F148 L160 I165	A140-A144 WeakPolarHBondContact O-CB 3.34Å; A140-A144 PolarHBondContact O-N 3.29Å; A144-Y146 VanDerWaalsContact C-N 3.3Å; A144-Y146 PolarHBondContact O-N 3.16Å; A144-L147 PolarHBondContact O-N 3.04Å; A144-F148 WeakPolarHBondContact O-CB 3.3Å; A144-F148 PolarHBondContact O-N 3.2Å; A144-L160 HydrophobicContact CB-CD1 4.11Å; A144-I165 HydrophobicContact CB-CD1 4.08Å
145	R	85.7	Confident	85	Confident	160 Å²	160	55.1 Å²	55.1	60%	0.604	28%	0.283	S	S	*	.	H	α-helix	trans	-62.1	-38.9	172.9	-72.6	172.8	-169.5	160.7	6.8	111.8	N141 I142 L143 K149	N141-R145 VanDerWaalsContact O-CG 3.3Å; N141-R145 WeakPolarHBondContact O-CG 3.49Å; N141-R145 PolarHBondContact O-N 3.15Å; N141-R145 VanDerWaalsContact O-N 3.15Å; I142-R145 WeakPolarHBondContact O-CB 3.48Å; I142-R145 PolarHBondContact O-N 3.4Å; L143-R145 VanDerWaalsContact C-N 3.34Å; L143-R145 PolarHBondContact O-N 3.04Å; R145-K149 WeakPolarHBondContact O-CB 3.42Å; R145-K149 PolarHBondContact O-N 3.46Å
146	Y	84.7	Confident	83.7	Confident	46 Å²	46	65.2 Å²	65.2	18%	0.18	32%	0.32	C	S	.	.	H	α-helix	trans	-63	-51.2	174.3	178.2	-90.6	0	0	0	111.4	S120 I142 L143 A144 F148 K149 C150 L169 N175 L178	S120-Y146 VanDerWaalsContact OG-CD2 3.31Å; S120-Y146 WeakPolarHBondContact OG-CD2 3.37Å; I142-Y146 PolarHBondContact O-N 2.8Å; L143-Y146 WeakPolarHBondContact O-CB 3.4Å; L143-Y146 PolarHBondContact O-N 3.05Å; L143-Y146 VanDerWaalsContact O-N 3.15Å; A144-Y146 VanDerWaalsContact C-N 3.3Å; A144-Y146 PolarHBondContact O-N 3.16Å; Y146-F148 VanDerWaalsContact C-N 3.28Å; Y146-F148 PolarHBondContact O-N 3.3Å; Y146-K149 PolarHBondContact O-N 3.37Å; Y146-K149 VanDerWaalsContact O-N 3.11Å; Y146-C150 VanDerWaalsContact CZ-SG 3.51Å; Y146-C150 PolarHBondContact O-N 2.82Å; Y146-C150 PolarHBondContact O-SG 3.34Å; Y146-L169 HydrophobicContact CD1-CD2 4.26Å; Y146-L169 HydrophobicContact CE1-CD2 4.23Å; Y146-N175 WeakPolarHBondContact CE1-OD1 3.39Å; Y146-N175 PolarHBondContact OH-OD1 2.97Å; Y146-L178 HydrophobicContact CD1-CD2 3.69Å; Y146-L178 HydrophobicContact CD2-CD1 4.18Å; Y146-L178 HydrophobicContact CE1-CD1 4.15Å; Y146-L178 HydrophobicContact CE1-CD2 3.55Å; Y146-L178 HydrophobicContact CE1-CG 4.33Å; Y146-L178 HydrophobicContact CE2-CD1 3.64Å; Y146-L178 HydrophobicContact CE2-CD2 4.43Å; Y146-L178 HydrophobicContact CG-CD2 4.21Å
147	L	84.8	Confident	82.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-54.7	-44.7	177.2	-72.2	-177.4	0	0	0	111.9	L143 A144 C150 G151 L152 T153 I165 T168 L169	L143-L147 WeakPolarHBondContact O-CG 3.31Å; L143-L147 PolarHBondContact O-N 3.11Å; A144-L147 PolarHBondContact O-N 3.04Å; L147-C150 PolarHBondContact O-N 3.43Å; L147-G151 PolarHBondContact O-N 2.88Å; L147-L152 HydrophobicContact CB-CB 4.32Å; L147-L152 HydrophobicContact CD2-CB 3.88Å; L147-L152 HydrophobicContact CD2-CD1 3.52Å; L147-L152 HydrophobicContact CD2-CG 4.36Å; L147-L152 PolarHBondContact O-N 3.11Å; L147-T153 HydrophobicContact CB-CG2 3.66Å; L147-I165 HydrophobicContact CD1-CB 4.21Å; L147-I165 HydrophobicContact CD1-CG1 4.24Å; L147-I165 HydrophobicContact CD1-CG2 3.76Å; L147-I165 HydrophobicContact CG-CG2 4.42Å; L147-T168 HydrophobicContact CD1-CG2 4.11Å; L147-T168 HydrophobicContact CD2-CG2 4.08Å; L147-L169 HydrophobicContact CD2-CD2 3.45Å; L147-L169 VanDerWaalsContact CD2-CD2 3.45Å; L147-L169 HydrophobicContact CD2-CG 3.85Å; L147-L169 HydrophobicContact CG-CD2 4.4Å
148	F	83.7	Confident	80.8	Confident	87 Å²	87	62.7 Å²	62.7	38%	0.382	32%	0.321	S	S	.	.	H	α-helix	trans	-63.1	-45.7	177.5	-177.8	-97.3	0	0	0	111.6	A144 Y146 C150 G151 T153 R156	A144-F148 WeakPolarHBondContact O-CB 3.3Å; A144-F148 PolarHBondContact O-N 3.2Å; Y146-F148 VanDerWaalsContact C-N 3.28Å; Y146-F148 PolarHBondContact O-N 3.3Å; F148-C150 VanDerWaalsContact C-N 3.25Å; F148-C150 PolarHBondContact O-N 3.37Å; F148-G151 PolarHBondContact O-N 3.23Å; F148-G151 VanDerWaalsContact O-N 3.08Å; F148-T153 HydrophobicContact CB-CG2 4.19Å; F148-R156 HydrophobicContact CD2-CB 4.3Å; F148-R156 HydrophobicContact CE1-CG 4.49Å; F148-R156 HydrophobicContact CE2-CB 4.16Å; F148-R156 HydrophobicContact CE2-CG 4.44Å; F148-R156 HydrophobicContact CZ-CG 4.43Å
149	K	83.7	Confident	79.8	Confident	184 Å²	184	69.2 Å²	69.2	80%	0.8	35%	0.345	S	S	*	.	H	α-helix	trans	-61.8	-33.9	178	-171.6	-176.5	176.9	-172	0	112.3	R145 Y146 G151	R145-K149 WeakPolarHBondContact O-CB 3.42Å; R145-K149 PolarHBondContact O-N 3.46Å; Y146-K149 PolarHBondContact O-N 3.37Å; Y146-K149 VanDerWaalsContact O-N 3.11Å; K149-G151 VanDerWaalsContact C-N 3.31Å
150	C	80	Confident	79.1	Confident	59 Å²	59	70.2 Å²	70.2	40%	0.399	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	1	177.7	-67.5	0	0	0	0	113.9	Y146 L147 F148 L152	Y146-C150 VanDerWaalsContact CZ-SG 3.51Å; Y146-C150 PolarHBondContact O-N 2.82Å; Y146-C150 PolarHBondContact O-SG 3.34Å; L147-C150 PolarHBondContact O-N 3.43Å; F148-C150 VanDerWaalsContact C-N 3.25Å; F148-C150 PolarHBondContact O-N 3.37Å; C150-L152 VanDerWaalsContact C-N 3.27Å; C150-L152 HydrophobicContact CB-CD1 3.84Å; C150-L152 HydrophobicContact CB-CG 4.04Å; C150-L152 PolarHBondContact O-N 3.47Å
151	G	81.3	Confident	78.8	Confident	57 Å²	57	74 Å²	74	59%	0.588	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	20	-179.1	0	0	0	0	0	114.4	L147 F148 K149	L147-G151 PolarHBondContact O-N 2.88Å; F148-G151 PolarHBondContact O-N 3.23Å; F148-G151 VanDerWaalsContact O-N 3.08Å; K149-G151 VanDerWaalsContact C-N 3.31Å
152	L	80.9	Confident	78.6	Confident	59 Å²	59	73.9 Å²	73.9	31%	0.309	37%	0.374	S	S	.	.	S	Bend	trans	-86.6	-12.9	179.8	-62.1	164.8	0	0	0	112.6	L147 C150 T168 N175	L147-L152 HydrophobicContact CB-CB 4.32Å; L147-L152 HydrophobicContact CD2-CB 3.88Å; L147-L152 HydrophobicContact CD2-CD1 3.52Å; L147-L152 HydrophobicContact CD2-CG 4.36Å; L147-L152 PolarHBondContact O-N 3.11Å; C150-L152 VanDerWaalsContact C-N 3.27Å; C150-L152 HydrophobicContact CB-CD1 3.84Å; C150-L152 HydrophobicContact CB-CG 4.04Å; C150-L152 PolarHBondContact O-N 3.47Å; L152-T168 HydrophobicContact CB-CG2 4.47Å; L152-N175 WeakPolarHBondContact CD1-ND2 3.44Å
153	T	75.5	Confident	78.4	Confident	15 Å²	15	77.1 Å²	77.1	9%	0.092	39%	0.389	C	S	.	.			trans	-145.3	142.6	171.9	-179.6	0	0	0	0	109.8	L147 F148 T155	L147-T153 HydrophobicContact CB-CG2 3.66Å; F148-T153 HydrophobicContact CB-CG2 4.19Å; T153-T155 VanDerWaalsContact C-N 3.32Å; T153-T155 PolarHBondContact OG1-N 2.88Å; T153-T155 PolarHBondContact OG1-OG1 2.9Å
154	N	73.1	Confident	78.3	Confident	156 Å²	156	82 Å²	82	83%	0.834	41%	0.41	S	S	*	.	S	Bend	trans	-88.3	-7.5	171.6	-66.2	-20.6	0	0	0	111.8
155	T	68.5	Low	78.2	Confident	73 Å²	73	81.7 Å²	81.7	45%	0.448	41%	0.407	S	S	.	.			trans	-93.7	113.1	-175.5	-19.7	0	0	0	0	109.8	T153 S157	T153-T155 VanDerWaalsContact C-N 3.32Å; T153-T155 PolarHBondContact OG1-N 2.88Å; T153-T155 PolarHBondContact OG1-OG1 2.9Å; T155-S157 PolarHBondContact O-N 3.41Å; T155-S157 VanDerWaalsContact O-N 3.13Å
156	R	65.4	Low	78.3	Confident	213 Å²	213	74 Å²	74	80%	0.804	38%	0.378	S	S	*	.			trans	-77.3	14.5	172.9	-154.2	176.8	179.2	-179.7	0.3	112.9	F148 A158	F148-R156 HydrophobicContact CD2-CB 4.3Å; F148-R156 HydrophobicContact CE1-CG 4.49Å; F148-R156 HydrophobicContact CE2-CB 4.16Å; F148-R156 HydrophobicContact CE2-CG 4.44Å; F148-R156 HydrophobicContact CZ-CG 4.43Å; R156-A158 PolarHBondContact O-N 3.3Å
157	S	59.9	Low	78.3	Confident	41 Å²	41	74.7 Å²	74.7	29%	0.287	39%	0.385	S	S	.	.			trans	-66	128.6	-168.5	-178	0	0	0	0	111.4	T155 Y159	T155-S157 PolarHBondContact O-N 3.41Å; T155-S157 VanDerWaalsContact O-N 3.13Å; S157-Y159 PolarHBondContact O-N 3.38Å; S157-Y159 PolarHBondContact OG-N 2.86Å
158	A	61.5	Low	78.4	Confident	48 Å²	48	76.1 Å²	76.1	40%	0.397	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	12.4	172.3	0	0	0	0	0	113	Q137 N141 R156	Q137-A158 PolarHBondContact NE2-O 2.82Å; N141-A158 PolarHBondContact OD1-O 3.48Å; R156-A158 PolarHBondContact O-N 3.3Å
159	Y	70.1	Confident	78.4	Confident	188 Å²	188	72.2 Å²	72.2	74%	0.737	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.6	22.8	-173.5	-58.4	-76.4	0	0	0	112.7	S157 P161	S157-Y159 PolarHBondContact O-N 3.38Å; S157-Y159 PolarHBondContact OG-N 2.86Å; Y159-P161 WeakPolarHBondContact O-CD 3.5Å
160	L	75.9	Confident	78.2	Confident	22 Å²	22	66.9 Å²	66.9	12%	0.115	36%	0.355	C	S	.	.			trans	-67.6	126.7	172.1	-69.9	176.3	0	0	0	109.2	A144 L162 F164 I165	A144-L160 HydrophobicContact CB-CD1 4.11Å; L160-L162 PolarHBondContact O-N 2.62Å; L160-F164 HydrophobicContact CB-CD1 4.5Å; L160-F164 HydrophobicContact CD1-CD1 4.44Å; L160-F164 HydrophobicContact CD1-CE1 4.42Å; L160-F164 HydrophobicContact CD2-CD1 4Å; L160-F164 HydrophobicContact CD2-CE1 4.08Å; L160-I165 HydrophobicContact CB-CD1 3.84Å; L160-I165 HydrophobicContact CB-CG1 3.86Å; L160-I165 HydrophobicContact CD1-CG1 4.46Å
161	P	84.7	Confident	78.3	Confident	83 Å²	83	72.7 Å²	72.7	54%	0.539	37%	0.373	S	S	.	.			trans	-57.1	138.4	174.5	-24.3	33.8	0	0	0	110.7	Y159 E163 F164 I165	Y159-P161 WeakPolarHBondContact O-CD 3.5Å; P161-E163 PolarHBondContact O-N 3.39Å; P161-E163 VanDerWaalsContact O-N 3.15Å; P161-F164 HydrophobicContact CB-CB 4.4Å; P161-F164 WeakPolarHBondContact O-CB 3.16Å; P161-F164 PolarHBondContact O-N 3.29Å; P161-I165 PolarHBondContact O-N 3.49Å; P161-I165 VanDerWaalsContact O-N 3.16Å
162	L	85.7	Confident	78.1	Confident	25 Å²	25	70.9 Å²	70.9	13%	0.131	35%	0.351	C	S	.	.	H	α-helix	trans	-53.3	-38.8	179.2	-177.8	59.2	0	0	0	111.7	Q136 I139 A140 L143 L160 F164 I165 V166 L201 L205	Q136-L162 HydrophobicContact CG-CD2 4.46Å; I139-L162 HydrophobicContact CG2-CD1 3.92Å; A140-L162 HydrophobicContact CB-CB 4.38Å; A140-L162 HydrophobicContact CB-CD1 4.36Å; L143-L162 HydrophobicContact CD1-CD1 4.12Å; L160-L162 PolarHBondContact O-N 2.62Å; L162-F164 PolarHBondContact O-N 2.86Å; L162-I165 WeakPolarHBondContact O-CB 3.38Å; L162-I165 PolarHBondContact O-N 3.21Å; L162-V166 HydrophobicContact CD1-CG2 4.1Å; L162-V166 HydrophobicContact CG-CG2 4.15Å; L162-V166 WeakPolarHBondContact O-CG2 3.39Å; L162-V166 PolarHBondContact O-N 3.16Å; L162-L201 HydrophobicContact CD2-CD1 4.47Å; L162-L205 HydrophobicContact CD2-CD1 4.1Å
163	E	86.4	Confident	77.6	Confident	96 Å²	96	75.2 Å²	75.2	45%	0.449	37%	0.37	S	S	.	.	H	α-helix	trans	-60.8	-40.9	177.1	-171.8	54.2	-141.5	0	0	112.8	P161 I165 N167 R208	P161-E163 PolarHBondContact O-N 3.39Å; P161-E163 VanDerWaalsContact O-N 3.15Å; E163-I165 VanDerWaalsContact C-N 3.34Å; E163-N167 WeakPolarHBondContact O-CB 2.82Å; E163-N167 VanDerWaalsContact O-CG 3.29Å; E163-N167 PolarHBondContact O-N 3.25Å; E163-N167 PolarHBondContact O-ND2 2.88Å; E163-N167 PolarHBondContact OE1-ND2 3.32Å; E163-R208 IonicContact OE1-CZ 3.26Å; E163-R208 VanDerWaalsContact OE1-CZ 3.26Å; E163-R208 IonicContact OE1-NH1 3.89Å; E163-R208 PolarHBondContact OE1-NH1 3.12Å; E163-R208 IonicContact OE1-NH2 2.87Å; E163-R208 PolarHBondContact OE1-NH2 3.33Å; E163-R208 IonicContact OE2-CZ 3.8Å; E163-R208 IonicContact OE2-NH1 2.84Å; E163-R208 PolarHBondContact OE2-NH1 3.11Å; E163-R208 IonicContact OE2-NH2 3.16Å
164	F	85.2	Confident	77.1	Confident	103 Å²	103	85.5 Å²	85.5	45%	0.452	41%	0.407	S	S	.	.	H	α-helix	trans	-64.8	-42.3	175.7	176.4	-93.6	0	0	0	111	L160 P161 L162 T168	L160-F164 HydrophobicContact CB-CD1 4.5Å; L160-F164 HydrophobicContact CD1-CD1 4.44Å; L160-F164 HydrophobicContact CD1-CE1 4.42Å; L160-F164 HydrophobicContact CD2-CD1 4Å; L160-F164 HydrophobicContact CD2-CE1 4.08Å; P161-F164 HydrophobicContact CB-CB 4.4Å; P161-F164 WeakPolarHBondContact O-CB 3.16Å; P161-F164 PolarHBondContact O-N 3.29Å; L162-F164 PolarHBondContact O-N 2.86Å; F164-T168 WeakPolarHBondContact O-CB 3.4Å; F164-T168 PolarHBondContact O-N 3.46Å; F164-T168 PolarHBondContact O-OG1 2.75Å
165	I	86.6	Confident	76.8	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-63.7	-47.7	179.2	-65.9	161.8	0	0	0	110.7	A140 L143 A144 L147 L160 P161 L162 E163 T168 L169	A140-I165 HydrophobicContact CB-CD1 3.68Å; A140-I165 VanDerWaalsContact O-CD1 3.3Å; A140-I165 WeakPolarHBondContact O-CD1 3.44Å; L143-I165 HydrophobicContact CB-CG2 3.48Å; L143-I165 VanDerWaalsContact CB-CG2 3.48Å; L143-I165 HydrophobicContact CD1-CG2 4.09Å; L143-I165 HydrophobicContact CG-CG2 4.43Å; A144-I165 HydrophobicContact CB-CD1 4.08Å; L147-I165 HydrophobicContact CD1-CB 4.21Å; L147-I165 HydrophobicContact CD1-CG1 4.24Å; L147-I165 HydrophobicContact CD1-CG2 3.76Å; L147-I165 HydrophobicContact CG-CG2 4.42Å; L160-I165 HydrophobicContact CB-CD1 3.84Å; L160-I165 HydrophobicContact CB-CG1 3.86Å; L160-I165 HydrophobicContact CD1-CG1 4.46Å; P161-I165 PolarHBondContact O-N 3.49Å; P161-I165 VanDerWaalsContact O-N 3.16Å; L162-I165 WeakPolarHBondContact O-CB 3.38Å; L162-I165 PolarHBondContact O-N 3.21Å; E163-I165 VanDerWaalsContact C-N 3.34Å; I165-T168 WeakPolarHBondContact O-CB 3.37Å; I165-T168 PolarHBondContact O-N 3.43Å; I165-L169 HydrophobicContact CG2-CD1 4.15Å; I165-L169 WeakPolarHBondContact O-CG 3.22Å; I165-L169 PolarHBondContact O-N 2.83Å
166	V	86.3	Confident	76.7	Confident	0 Å²	0	81.2 Å²	81.2	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-61.9	-47.9	179	-179.8	0	0	0	0	110.6	L162 T168 L169 E170 L205 R208 L209	L162-V166 HydrophobicContact CD1-CG2 4.1Å; L162-V166 HydrophobicContact CG-CG2 4.15Å; L162-V166 WeakPolarHBondContact O-CG2 3.39Å; L162-V166 PolarHBondContact O-N 3.16Å; V166-T168 PolarHBondContact O-N 2.74Å; V166-L169 PolarHBondContact O-N 2.88Å; V166-L169 VanDerWaalsContact O-N 3.1Å; V166-E170 HydrophobicContact CG1-CG 4.37Å; V166-E170 WeakPolarHBondContact O-CG 3.18Å; V166-E170 PolarHBondContact O-N 2.8Å; V166-L205 HydrophobicContact CG2-CD2 4.06Å; V166-R208 HydrophobicContact CG1-CB 3.76Å; V166-R208 VanDerWaalsContact CG1-CZ 3.42Å; V166-L209 HydrophobicContact CG1-CD1 4.37Å; V166-L209 HydrophobicContact CG1-CD2 4.42Å; V166-L209 HydrophobicContact CG1-CG 4.12Å; V166-L209 HydrophobicContact CG2-CD1 3.82Å; V166-L209 HydrophobicContact CG2-CG 4.46Å
167	N	86.3	Confident	76.8	Confident	60 Å²	60	76.4 Å²	76.4	32%	0.321	36%	0.362	S	S	.	.	H	α-helix	trans	-59.2	-34	176.4	-78	-50.4	0	0	0	112.9	E163 E170 K171 R208	E163-N167 WeakPolarHBondContact O-CB 2.82Å; E163-N167 VanDerWaalsContact O-CG 3.29Å; E163-N167 PolarHBondContact O-N 3.25Å; E163-N167 PolarHBondContact O-ND2 2.88Å; E163-N167 PolarHBondContact OE1-ND2 3.32Å; N167-E170 PolarHBondContact OD1-OE2 3.48Å; N167-K171 WeakPolarHBondContact O-CG 3.36Å; N167-K171 PolarHBondContact O-N 2.87Å; N167-R208 PolarHBondContact OD1-NH2 3.42Å
168	T	85.3	Confident	77.8	Confident	29 Å²	29	75 Å²	75	18%	0.178	35%	0.351	C	S	.	.	H	α-helix	trans	-70.7	-40.3	176.9	-56.4	0	0	0	0	111.4	L147 L152 F164 I165 V166	L147-T168 HydrophobicContact CD1-CG2 4.11Å; L147-T168 HydrophobicContact CD2-CG2 4.08Å; L152-T168 HydrophobicContact CB-CG2 4.47Å; F164-T168 WeakPolarHBondContact O-CB 3.4Å; F164-T168 PolarHBondContact O-N 3.46Å; F164-T168 PolarHBondContact O-OG1 2.75Å; I165-T168 WeakPolarHBondContact O-CB 3.37Å; I165-T168 PolarHBondContact O-N 3.43Å; V166-T168 PolarHBondContact O-N 2.74Å
169	L	84	Confident	79	Confident	6 Å²	6	72.7 Å²	72.7	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-65.2	-43.3	175.5	-71.4	168.7	0	0	0	111.7	L143 Y146 L147 I165 V166 K171 S172 N175 L178 L209	L143-L169 HydrophobicContact CD1-CD1 4.42Å; L143-L169 HydrophobicContact CD2-CD1 4.22Å; Y146-L169 HydrophobicContact CD1-CD2 4.26Å; Y146-L169 HydrophobicContact CE1-CD2 4.23Å; L147-L169 HydrophobicContact CD2-CD2 3.45Å; L147-L169 VanDerWaalsContact CD2-CD2 3.45Å; L147-L169 HydrophobicContact CD2-CG 3.85Å; L147-L169 HydrophobicContact CG-CD2 4.4Å; I165-L169 HydrophobicContact CG2-CD1 4.15Å; I165-L169 WeakPolarHBondContact O-CG 3.22Å; I165-L169 PolarHBondContact O-N 2.83Å; V166-L169 PolarHBondContact O-N 2.88Å; V166-L169 VanDerWaalsContact O-N 3.1Å; L169-K171 VanDerWaalsContact C-N 3.28Å; L169-K171 PolarHBondContact O-N 3.38Å; L169-S172 PolarHBondContact O-N 2.83Å; L169-N175 HydrophobicContact CD2-CB 4.1Å; L169-L178 HydrophobicContact CD1-CD2 4.32Å; L169-L178 HydrophobicContact CD2-CD2 3.97Å; L169-L209 HydrophobicContact CB-CD2 4.25Å; L169-L209 HydrophobicContact CD1-CD2 3.76Å
170	E	80.5	Confident	79.9	Confident	72 Å²	72	63.9 Å²	63.9	34%	0.336	30%	0.298	S	S	.	.	H	α-helix	trans	-60.2	-35.3	179.6	-74.6	175.3	138.6	0	0	113.1	V166 N167 S172 R208	V166-E170 HydrophobicContact CG1-CG 4.37Å; V166-E170 WeakPolarHBondContact O-CG 3.18Å; V166-E170 PolarHBondContact O-N 2.8Å; N167-E170 PolarHBondContact OD1-OE2 3.48Å; E170-S172 VanDerWaalsContact C-N 3.26Å; E170-S172 PolarHBondContact O-N 3.43Å; E170-R208 WeakPolarHBondContact OE1-CB 2.99Å; E170-R208 WeakPolarHBondContact OE1-CG 3.21Å; E170-R208 IonicContact OE1-CZ 3.8Å; E170-R208 IonicContact OE1-NE 2.88Å; E170-R208 PolarHBondContact OE1-NE 2.99Å; E170-R208 IonicContact OE1-NH2 3.34Å; E170-R208 IonicContact OE2-CZ 3.51Å; E170-R208 IonicContact OE2-NE 3.08Å; E170-R208 PolarHBondContact OE2-NE 3.38Å; E170-R208 IonicContact OE2-NH2 3.57Å; E170-R208 PolarHBondContact OE2-NH2 3.28Å
171	K	82	Confident	80.6	Confident	181 Å²	181	62.9 Å²	62.9	79%	0.787	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-15.5	177.7	-72	176.4	-176.9	-179.9	0	113.4	N167 L169	N167-K171 WeakPolarHBondContact O-CG 3.36Å; N167-K171 PolarHBondContact O-N 2.87Å; L169-K171 VanDerWaalsContact C-N 3.28Å; L169-K171 PolarHBondContact O-N 3.38Å
172	S	77.3	Confident	80.9	Confident	19 Å²	19	59 Å²	59	13%	0.133	27%	0.267	C	S	.	.			trans	-98.4	107.7	-174.4	-167.8	0	0	0	0	111.4	L169 E170 R174 N175 K176	L169-S172 PolarHBondContact O-N 2.83Å; E170-S172 VanDerWaalsContact C-N 3.26Å; E170-S172 PolarHBondContact O-N 3.43Å; S172-R174 PolarHBondContact O-N 3.29Å; S172-N175 WeakPolarHBondContact CB-ND2 3.28Å; S172-N175 PolarHBondContact O-N 3.07Å; S172-N175 PolarHBondContact OG-ND2 3.31Å; S172-K176 PolarHBondContact O-N 3.43Å
173	E	69.7	Low	81.2	Confident	150 Å²	150	57.8 Å²	57.8	70%	0.701	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-57.4	-36.6	-178.8	-62	-142.1	116.2	0	0	113.5	N175 K176	E173-N175 PolarHBondContact O-N 3.19Å; E173-K176 PolarHBondContact O-N 3.16Å; E173-K176 IonicContact OE1-NZ 2.9Å; E173-K176 PolarHBondContact OE1-NZ 2.67Å
174	R	64.6	Low	81.3	Confident	230 Å²	230	53.3 Å²	53.3	87%	0.868	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-66.9	-18.3	178	-68.9	-175	178.9	177.4	-0.3	113.8	S172	S172-R174 PolarHBondContact O-N 3.29Å
175	N	67.9	Low	81.4	Confident	18 Å²	18	49.5 Å²	49.5	10%	0.096	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-110.9	5.2	-174.3	-59.6	-68.8	0	0	0	113.2	Y146 L152 L169 S172 E173 E177 L178	Y146-N175 WeakPolarHBondContact CE1-OD1 3.39Å; Y146-N175 PolarHBondContact OH-OD1 2.97Å; L152-N175 WeakPolarHBondContact CD1-ND2 3.44Å; L169-N175 HydrophobicContact CD2-CB 4.1Å; S172-N175 WeakPolarHBondContact CB-ND2 3.28Å; S172-N175 PolarHBondContact O-N 3.07Å; S172-N175 PolarHBondContact OG-ND2 3.31Å; E173-N175 PolarHBondContact O-N 3.19Å; N175-E177 PolarHBondContact O-N 3.42Å; N175-E177 VanDerWaalsContact O-N 3.12Å; N175-L178 WeakPolarHBondContact O-CB 3.38Å; N175-L178 PolarHBondContact O-N 2.73Å
176	K	66.2	Low	81.2	Confident	122 Å²	122	53.4 Å²	53.4	53%	0.53	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-21.8	170.5	-70.6	176.1	179.4	167.5	0	112.3	S172 E173 Q210	S172-K176 PolarHBondContact O-N 3.43Å; E173-K176 PolarHBondContact O-N 3.16Å; E173-K176 IonicContact OE1-NZ 2.9Å; E173-K176 PolarHBondContact OE1-NZ 2.67Å; K176-Q210 PolarHBondContact O-NE2 2.99Å
177	E	67.3	Low	81	Confident	111 Å²	111	53.7 Å²	53.7	52%	0.519	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-1.7	179.6	-61.3	-176.8	172	0	0	114.4	N175 L179	N175-E177 PolarHBondContact O-N 3.42Å; N175-E177 VanDerWaalsContact O-N 3.12Å; E177-L179 PolarHBondContact O-N 2.85Å; E177-L179 VanDerWaalsContact O-N 3.17Å
178	L	81	Confident	80.7	Confident	11 Å²	11	52.9 Å²	52.9	6%	0.058	24%	0.238	C	C	.	.			trans	-65.1	119.6	179.9	177.4	65.9	0	0	0	110.3	L143 Y146 L169 N175	L143-L178 HydrophobicContact CD2-CD2 4.19Å; Y146-L178 HydrophobicContact CD1-CD2 3.69Å; Y146-L178 HydrophobicContact CD2-CD1 4.18Å; Y146-L178 HydrophobicContact CE1-CD1 4.15Å; Y146-L178 HydrophobicContact CE1-CD2 3.55Å; Y146-L178 HydrophobicContact CE1-CG 4.33Å; Y146-L178 HydrophobicContact CE2-CD1 3.64Å; Y146-L178 HydrophobicContact CE2-CD2 4.43Å; Y146-L178 HydrophobicContact CG-CD2 4.21Å; L169-L178 HydrophobicContact CD1-CD2 4.32Å; L169-L178 HydrophobicContact CD2-CD2 3.97Å; N175-L178 WeakPolarHBondContact O-CB 3.38Å; N175-L178 PolarHBondContact O-N 2.73Å
179	L	86	Confident	80.5	Confident	0 Å²	0	57 Å²	57	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	121.4	170.7	-175.9	62.1	0	0	0	110.7	M74 I77 P118 F119 S120 E177 V181 Q210 A212	M74-L179 HydrophobicContact CE-CD2 4.18Å; I77-L179 HydrophobicContact CG2-CD1 3.88Å; P118-L179 PolarHBondContact O-N 2.82Å; F119-L179 CarbonylContact C-O 3.59Å; F119-L179 WeakPolarHBondContact CA-O 3.38Å; F119-L179 HydrophobicContact CB-CB 4.03Å; F119-L179 VanDerWaalsContact CB-O 3.27Å; F119-L179 WeakPolarHBondContact CB-O 3.42Å; S120-L179 PolarHBondContact N-O 3.34Å; E177-L179 PolarHBondContact O-N 2.85Å; E177-L179 VanDerWaalsContact O-N 3.17Å; L179-V181 HydrophobicContact CD2-CG2 3.96Å; L179-V181 HydrophobicContact CG-CG2 3.97Å; L179-Q210 HydrophobicContact CD1-CB 3.87Å; L179-A212 HydrophobicContact CD1-CB 3.94Å; L179-A212 HydrophobicContact CD2-CB 4.25Å; L179-A212 HydrophobicContact CG-CB 4.29Å
180	L	89.3	Confident	80.4	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	109	167	178.7	61.4	0	0	0	109	V122 I139 L143 V182 Q210 I211 A212	V122-L180 HydrophobicContact CG2-CD1 3.59Å; I139-L180 HydrophobicContact CG2-CD2 3.92Å; L143-L180 HydrophobicContact CD1-CD2 4.36Å; L143-L180 HydrophobicContact CD2-CD1 3.97Å; L143-L180 HydrophobicContact CG-CD1 4.33Å; L180-V182 HydrophobicContact CD2-CG2 4.2Å; L180-V182 HydrophobicContact CG-CG2 3.95Å; L180-Q210 WeakPolarHBondContact CB-O 3.39Å; L180-Q210 PolarHBondContact N-O 3.46Å; L180-I211 HydrophobicContact CB-CG1 4.46Å; L180-I211 HydrophobicContact CD2-CG1 4.42Å; L180-I211 WeakPolarHBondContact O-CA 3.34Å; L180-A212 PolarHBondContact O-N 2.95Å
181	V	90.6	Very high	80.7	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	116.8	174.1	-176.8	0	0	0	0	108.5	M74 L110 F119 S120 L121 V122 L179 A212 I214	M74-V181 HydrophobicContact CE-CG2 3.92Å; L110-V181 HydrophobicContact CD2-CG1 4.43Å; F119-V181 HydrophobicContact CB-CG2 3.92Å; F119-V181 HydrophobicContact CD2-CB 4.37Å; F119-V181 HydrophobicContact CD2-CG2 3.98Å; F119-V181 HydrophobicContact CG-CG2 4.03Å; S120-V181 PolarHBondContact O-N 3.03Å; L121-V181 CarbonylContact C-O 3.58Å; L121-V181 WeakPolarHBondContact CA-O 3.42Å; L121-V181 HydrophobicContact CD1-CB 3.96Å; L121-V181 HydrophobicContact CD1-CG1 3.66Å; V122-V181 PolarHBondContact N-O 3.34Å; L179-V181 HydrophobicContact CD2-CG2 3.96Å; L179-V181 HydrophobicContact CG-CG2 3.97Å; V181-A212 CarbonylContact C-O 3.58Å; V181-A212 VanDerWaalsContact CA-O 3.3Å; V181-A212 WeakPolarHBondContact CA-O 3.49Å; V181-A212 HydrophobicContact CG2-CB 4.42Å; V181-I214 HydrophobicContact CG1-CD1 3.68Å; V181-I214 HydrophobicContact CG1-CG1 4.25Å
182	V	91.5	Very high	80.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	108	176.7	-172.7	0	0	0	0	109	I124 L180 V184 F198 I211 A212 I213 I214	I124-V182 HydrophobicContact CG1-CG1 3.86Å; L180-V182 HydrophobicContact CD2-CG2 4.2Å; L180-V182 HydrophobicContact CG-CG2 3.95Å; V182-V184 HydrophobicContact CG1-CG2 4.2Å; V182-F198 HydrophobicContact CG1-CE2 3.94Å; V182-F198 HydrophobicContact CG1-CZ 3.8Å; V182-I211 HydrophobicContact CG2-CG2 4.5Å; V182-A212 PolarHBondContact N-O 2.86Å; V182-I213 CarbonylContact O-C 3.36Å; V182-I213 WeakPolarHBondContact O-CA 3.3Å; V182-I214 PolarHBondContact O-N 3.18Å
183	M	91.1	Very high	81.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	116	174	-170.9	-172.5	-41.7	0	0	109.6	V103 L107 L110 L121 V122 K123 I124 I214 L216	V103-M183 HydrophobicContact CG1-SD 3.85Å; L107-M183 HydrophobicContact CD2-CE 3.53Å; L107-M183 HydrophobicContact CG-CE 4.06Å; L110-M183 HydrophobicContact CD1-CE 3.43Å; L110-M183 VanDerWaalsContact CD1-CE 3.43Å; L121-M183 HydrophobicContact CD1-CB 4.19Å; L121-M183 HydrophobicContact CD1-CE 4Å; L121-M183 HydrophobicContact CD2-CE 4.14Å; V122-M183 PolarHBondContact O-N 3.45Å; K123-M183 CarbonylContact C-O 3.57Å; K123-M183 WeakPolarHBondContact CA-O 3.4Å; I124-M183 PolarHBondContact N-O 3.16Å; M183-I214 CarbonylContact C-O 3.59Å; M183-I214 WeakPolarHBondContact CA-O 3.44Å; M183-L216 HydrophobicContact CG-CD1 4.12Å; M183-L216 HydrophobicContact SD-CD1 4.14Å
184	V	89.5	Confident	82	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	107.5	176.6	-172.3	0	0	0	0	108.3	I124 V182 L187 F190 F198 I213 I214 L216	I124-V184 HydrophobicContact CB-CG2 4.44Å; V182-V184 HydrophobicContact CG1-CG2 4.2Å; V184-L187 HydrophobicContact CG1-CB 4.29Å; V184-L187 HydrophobicContact CG1-CD1 3.88Å; V184-F190 HydrophobicContact CG1-CD2 4.25Å; V184-F190 HydrophobicContact CG1-CE2 3.72Å; V184-F190 HydrophobicContact CG1-CZ 4.39Å; V184-F198 HydrophobicContact CG2-CE1 3.7Å; V184-F198 HydrophobicContact CG2-CE2 4.49Å; V184-F198 HydrophobicContact CG2-CZ 3.62Å; V184-I213 HydrophobicContact CG2-CG2 4.18Å; V184-I214 PolarHBondContact N-O 3.2Å; V184-L216 PolarHBondContact O-N 3.19Å
185	E	87	Confident	83	Confident	23 Å²	23	39.8 Å²	39.8	11%	0.107	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	134.5	175.6	-62.5	-179.1	-152	0	0	109.4	V103 K123 I124 R125 P126 L187 F190 L216	V103-E185 HydrophobicContact CG2-CG 3.69Å; K123-E185 WeakPolarHBondContact CE-OE1 3.44Å; K123-E185 IonicContact NZ-OE1 3.69Å; K123-E185 PolarHBondContact NZ-OE1 2.84Å; I124-E185 PolarHBondContact O-N 3.37Å; R125-E185 WeakPolarHBondContact CD-OE2 3.35Å; R125-E185 HydrophobicContact CG-CB 4.04Å; R125-E185 VanDerWaalsContact CG-CD 3.42Å; R125-E185 HydrophobicContact CG-CG 4.03Å; R125-E185 WeakPolarHBondContact CG-OE2 3.42Å; P126-E185 WeakPolarHBondContact CD-O 3.19Å; E185-L187 PolarHBondContact O-N 2.8Å; E185-F190 WeakPolarHBondContact O-CE2 3.17Å; E185-L216 HydrophobicContact CG-CD1 4.1Å
186	E	80.9	Confident	83.8	Confident	82 Å²	82	42.5 Å²	42.5	38%	0.383	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	51.6	174.4	-58.1	179.3	171.8	0	0	114	P126 H188 M189 L216	P126-E186 HydrophobicContact CG-CB 4.17Å; E186-H188 PolarHBondContact O-N 3.41Å; E186-M189 HydrophobicContact CB-CB 4.22Å; E186-M189 HydrophobicContact CB-CG 3.86Å; E186-M189 WeakPolarHBondContact O-CB 3.49Å; E186-M189 PolarHBondContact O-N 3.26Å; E186-L216 CarbonylContact C-O 3.58Å; E186-L216 VanDerWaalsContact CA-O 3.28Å; E186-L216 WeakPolarHBondContact CA-O 3.11Å; E186-L216 PolarHBondContact N-O 2.89Å
187	L	84	Confident	84.9	Confident	6 Å²	6	41.1 Å²	41.1	3%	0.031	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-46.8	-39.7	-177.2	178.9	66.6	0	0	0	112.6	V184 E185 M189 F190 R195 F199 A215 L216	V184-L187 HydrophobicContact CG1-CB 4.29Å; V184-L187 HydrophobicContact CG1-CD1 3.88Å; E185-L187 PolarHBondContact O-N 2.8Å; L187-M189 PolarHBondContact O-N 3Å; L187-F190 PolarHBondContact O-N 3.39Å; L187-R195 HydrophobicContact CD1-CG 3.94Å; L187-R195 WeakPolarHBondContact O-CD 3.28Å; L187-F199 HydrophobicContact CD1-CE2 4.33Å; L187-F199 HydrophobicContact CD1-CZ 4.31Å; L187-F199 HydrophobicContact CD2-CE2 4.42Å; L187-F199 HydrophobicContact CD2-CZ 4.09Å; L187-A215 HydrophobicContact CB-CB 4.45Å; L187-A215 HydrophobicContact CD2-CB 3.86Å; L187-L216 PolarHBondContact N-O 3.06Å
188	H	78.5	Confident	85.9	Confident	42 Å²	42	36.2 Å²	36.2	19%	0.194	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-62.9	-17.3	179.3	64.5	-76.4	0	0	0	115.8	E186 L221	E186-H188 PolarHBondContact O-N 3.41Å; H188-L221 HydrophobicContact CB-CB 4.4Å; H188-L221 HydrophobicContact CB-CD1 3.62Å; H188-L221 WeakPolarHBondContact CD2-CD1 3.18Å
189	M	81.7	Confident	86.1	Confident	115 Å²	115	35.7 Å²	35.7	57%	0.567	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-85.5	-16.4	177.7	-66.2	-62	-69.8	0	0	112.8	P126 E186 L187	P126-M189 HydrophobicContact CB-CB 4Å; P126-M189 HydrophobicContact CG-CB 4.06Å; E186-M189 HydrophobicContact CB-CB 4.22Å; E186-M189 HydrophobicContact CB-CG 3.86Å; E186-M189 WeakPolarHBondContact O-CB 3.49Å; E186-M189 PolarHBondContact O-N 3.26Å; L187-M189 PolarHBondContact O-N 3Å
190	F	82.8	Confident	86.1	Confident	12 Å²	12	38.8 Å²	38.8	5%	0.053	21%	0.206	C	C	.	.	S	Bend	trans	-74.7	140	176.8	-72.3	-90.1	0	0	0	111.3	I124 P126 Q129 V184 E185 L187 L194 R195	I124-F190 HydrophobicContact CG2-CE1 4.21Å; I124-F190 HydrophobicContact CG2-CZ 3.79Å; P126-F190 HydrophobicContact CB-CD2 4.32Å; P126-F190 HydrophobicContact CB-CE1 4.32Å; P126-F190 HydrophobicContact CB-CE2 4.04Å; P126-F190 HydrophobicContact CB-CZ 4.04Å; P126-F190 HydrophobicContact CG-CE2 4.39Å; P126-F190 VanDerWaalsContact N-CZ 3.28Å; Q129-F190 WeakPolarHBondContact O-CE1 3.29Å; V184-F190 HydrophobicContact CG1-CD2 4.25Å; V184-F190 HydrophobicContact CG1-CE2 3.72Å; V184-F190 HydrophobicContact CG1-CZ 4.39Å; E185-F190 WeakPolarHBondContact O-CE2 3.17Å; L187-F190 PolarHBondContact O-N 3.39Å; F190-L194 HydrophobicContact CD1-CD2 3.7Å; F190-L194 HydrophobicContact CD1-CG 4.27Å; F190-L194 HydrophobicContact CE1-CD2 4.29Å; F190-R195 HydrophobicContact CB-CG 3.61Å; F190-R195 PolarHBondContact O-NE 3.45Å
191	P	85.3	Confident	86	Confident	84 Å²	84	39.6 Å²	39.6	55%	0.545	21%	0.211	S	C	.	.			trans	-51.4	142.9	168.7	-24.4	33.5	0	0	0	111.2	A193 L194 R195	P191-A193 VanDerWaalsContact C-N 3.34Å; P191-A193 PolarHBondContact O-N 3.32Å; P191-L194 HydrophobicContact CB-CB 4.41Å; P191-L194 PolarHBondContact O-N 3.14Å; P191-L194 VanDerWaalsContact O-N 3.16Å; P191-R195 PolarHBondContact O-N 3.42Å; P191-R195 VanDerWaalsContact O-N 3.11Å
192	E	82.5	Confident	85.8	Confident	98 Å²	98	39.7 Å²	39.7	46%	0.458	21%	0.211	S	C	.	.	H	α-helix	trans	-54.8	-47.4	-179.5	-173.2	167.3	-161.4	0	0	112.6	L194 R195 E196	E192-L194 VanDerWaalsContact C-N 3.31Å; E192-L194 PolarHBondContact O-N 3.01Å; E192-R195 WeakPolarHBondContact O-CB 3.44Å; E192-R195 PolarHBondContact O-N 3.01Å; E192-E196 PolarHBondContact O-N 3.11Å
193	A	86	Confident	85.3	Confident	60 Å²	60	40.6 Å²	40.6	50%	0.496	22%	0.216	S	C	.	.	H	α-helix	trans	-54.3	-44.4	176.5	0	0	0	0	0	112.9	P191 R195 E196 E197	P191-A193 VanDerWaalsContact C-N 3.34Å; P191-A193 PolarHBondContact O-N 3.32Å; A193-R195 VanDerWaalsContact C-N 3.34Å; A193-R195 PolarHBondContact O-N 3.21Å; A193-E196 PolarHBondContact O-N 2.9Å; A193-E197 WeakPolarHBondContact O-CB 3.48Å; A193-E197 WeakPolarHBondContact O-CG 3.2Å; A193-E197 PolarHBondContact O-N 3.04Å
194	L	89.3	Confident	84.9	Confident	9 Å²	9	44 Å²	44	5%	0.047	24%	0.244	C	C	.	.	H	α-helix	trans	-68.5	-34.2	179.3	179.3	54.2	0	0	0	112	N131 I132 F190 P191 E192 F198	N131-L194 VanDerWaalsContact C-CD1 3.48Å; I132-L194 HydrophobicContact CB-CD1 4.2Å; F190-L194 HydrophobicContact CD1-CD2 3.7Å; F190-L194 HydrophobicContact CD1-CG 4.27Å; F190-L194 HydrophobicContact CE1-CD2 4.29Å; P191-L194 HydrophobicContact CB-CB 4.41Å; P191-L194 PolarHBondContact O-N 3.14Å; P191-L194 VanDerWaalsContact O-N 3.16Å; E192-L194 VanDerWaalsContact C-N 3.31Å; E192-L194 PolarHBondContact O-N 3.01Å; L194-F198 VanDerWaalsContact O-CB 3.28Å; L194-F198 WeakPolarHBondContact O-CB 3.43Å; L194-F198 PolarHBondContact O-N 3.37Å
195	R	85.6	Confident	84.6	Confident	34 Å²	34	44.4 Å²	44.4	13%	0.128	25%	0.246	C	C	.	.	H	α-helix	trans	-66.1	-44.1	174.7	-67.6	-176.3	-85	155.6	5.9	111.2	L187 F190 P191 E192 A193 F198 F199 M228	L187-R195 HydrophobicContact CD1-CG 3.94Å; L187-R195 WeakPolarHBondContact O-CD 3.28Å; F190-R195 HydrophobicContact CB-CG 3.61Å; F190-R195 PolarHBondContact O-NE 3.45Å; P191-R195 PolarHBondContact O-N 3.42Å; P191-R195 VanDerWaalsContact O-N 3.11Å; E192-R195 WeakPolarHBondContact O-CB 3.44Å; E192-R195 PolarHBondContact O-N 3.01Å; A193-R195 VanDerWaalsContact C-N 3.34Å; A193-R195 PolarHBondContact O-N 3.21Å; R195-F198 PolarHBondContact O-N 3.34Å; R195-F199 HydrophobicContact CB-CE2 4.45Å; R195-F199 WeakPolarHBondContact O-CD2 3.47Å; R195-F199 PolarHBondContact O-N 2.84Å; R195-M228 HydrophobicContact CB-CE 3.91Å; R195-M228 HydrophobicContact CB-SD 4.07Å; R195-M228 VanDerWaalsContact CZ-SD 3.54Å; R195-M228 PolarHBondContact NH1-SD 2.77Å
196	E	84.1	Confident	84.1	Confident	76 Å²	76	45.6 Å²	45.6	36%	0.355	25%	0.25	S	C	.	.	H	α-helix	trans	-61.9	-44.8	176.2	-69.6	-180	168.1	0	0	111.9	E192 A193 F199 S200	E192-E196 PolarHBondContact O-N 3.11Å; A193-E196 PolarHBondContact O-N 2.9Å; E196-F199 PolarHBondContact O-N 3.26Å; E196-S200 VanDerWaalsContact O-CB 3.24Å; E196-S200 WeakPolarHBondContact O-CB 2.86Å; E196-S200 PolarHBondContact O-N 3.36Å; E196-S200 PolarHBondContact O-OG 3.31Å
197	E	88.4	Confident	83.8	Confident	92 Å²	92	44.2 Å²	44.2	43%	0.43	26%	0.257	S	S	.	.	H	α-helix	trans	-60.2	-44.6	174.4	-74.3	176.7	169.3	0	0	111.8	I132 A193 S200 L201	I132-E197 HydrophobicContact CB-CB 4.22Å; I132-E197 WeakPolarHBondContact CB-OE2 3.44Å; I132-E197 HydrophobicContact CD1-CB 4.09Å; I132-E197 HydrophobicContact CG1-CB 4.14Å; A193-E197 WeakPolarHBondContact O-CB 3.48Å; A193-E197 WeakPolarHBondContact O-CG 3.2Å; A193-E197 PolarHBondContact O-N 3.04Å; E197-S200 PolarHBondContact O-N 3.38Å; E197-L201 WeakPolarHBondContact O-CB 3.41Å; E197-L201 PolarHBondContact O-N 2.73Å
198	F	89.2	Confident	83.7	Confident	9 Å²	9	47.1 Å²	47.1	4%	0.039	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-49.9	177.4	167.6	-108.8	0	0	0	112.2	I132 V135 V182 V184 L194 R195 S200 L201 C202 I213	I132-F198 HydrophobicContact CD1-CB 4.46Å; V135-F198 HydrophobicContact CG1-CD2 3.81Å; V135-F198 HydrophobicContact CG1-CE2 4.23Å; V182-F198 HydrophobicContact CG1-CE2 3.94Å; V182-F198 HydrophobicContact CG1-CZ 3.8Å; V184-F198 HydrophobicContact CG2-CE1 3.7Å; V184-F198 HydrophobicContact CG2-CE2 4.49Å; V184-F198 HydrophobicContact CG2-CZ 3.62Å; L194-F198 VanDerWaalsContact O-CB 3.28Å; L194-F198 WeakPolarHBondContact O-CB 3.43Å; L194-F198 PolarHBondContact O-N 3.37Å; R195-F198 PolarHBondContact O-N 3.34Å; F198-S200 VanDerWaalsContact C-N 3.29Å; F198-S200 PolarHBondContact O-N 3.34Å; F198-L201 WeakPolarHBondContact O-CB 3.13Å; F198-L201 PolarHBondContact O-N 3.21Å; F198-C202 VanDerWaalsContact CE2-SG 3.59Å; F198-C202 PolarHBondContact O-N 3.31Å; F198-C202 PolarHBondContact O-SG 3.17Å; F198-I213 HydrophobicContact CE1-CD1 4.19Å; F198-I213 HydrophobicContact CE1-CG2 4.1Å; F198-I213 HydrophobicContact CZ-CD1 4.26Å; F198-I213 HydrophobicContact CZ-CG2 4.19Å
199	F	85.7	Confident	83.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67	-33	178.9	-74.6	-56.3	0	0	0	112	L91 L187 R195 E196 C202 N203 I213 M228 P232 F233 M236	L91-F199 HydrophobicContact CD1-CE1 4.26Å; L91-F199 HydrophobicContact CD2-CE1 4.3Å; L187-F199 HydrophobicContact CD1-CE2 4.33Å; L187-F199 HydrophobicContact CD1-CZ 4.31Å; L187-F199 HydrophobicContact CD2-CE2 4.42Å; L187-F199 HydrophobicContact CD2-CZ 4.09Å; R195-F199 HydrophobicContact CB-CE2 4.45Å; R195-F199 WeakPolarHBondContact O-CD2 3.47Å; R195-F199 PolarHBondContact O-N 2.84Å; E196-F199 PolarHBondContact O-N 3.26Å; F199-C202 PolarHBondContact O-N 2.99Å; F199-N203 VanDerWaalsContact O-CB 3.32Å; F199-N203 WeakPolarHBondContact O-CB 3.49Å; F199-N203 PolarHBondContact O-N 3.49Å; F199-I213 HydrophobicContact CD1-CD1 4.06Å; F199-I213 HydrophobicContact CE1-CD1 4.1Å; F199-M228 HydrophobicContact CD2-CE 3.54Å; F199-M228 HydrophobicContact CE2-CE 3.4Å; F199-M228 VanDerWaalsContact CE2-CE 3.4Å; F199-P232 HydrophobicContact CB-CB 3.99Å; F199-P232 HydrophobicContact CB-CG 3.38Å; F199-P232 HydrophobicContact CG-CG 4.26Å; F199-F233 HydrophobicContact CD2-CE2 4.37Å; F199-F233 HydrophobicContact CD2-CZ 4.13Å; F199-F233 HydrophobicContact CE2-CE2 4.41Å; F199-F233 AromaticContact CE2-CZ 3.79Å; F199-F233 HydrophobicContact CE2-CZ 3.79Å; F199-F233 HydrophobicContact CZ-CE1 4.43Å; F199-F233 HydrophobicContact CZ-CZ 4.02Å; F199-M236 HydrophobicContact CB-CE 3.84Å; F199-M236 HydrophobicContact CD1-CE 3.54Å; F199-M236 HydrophobicContact CD1-SD 3.78Å; F199-M236 HydrophobicContact CE1-CE 4.48Å; F199-M236 HydrophobicContact CE1-SD 4.19Å; F199-M236 HydrophobicContact CG-CE 4.06Å
200	S	84.9	Confident	83.8	Confident	64 Å²	64	41.2 Å²	41.2	45%	0.448	24%	0.239	S	C	.	.	H	α-helix	trans	-64.2	-42.9	171.8	-63.1	0	0	0	0	112	E196 E197 F198 N203 A204	E196-S200 VanDerWaalsContact O-CB 3.24Å; E196-S200 WeakPolarHBondContact O-CB 2.86Å; E196-S200 PolarHBondContact O-N 3.36Å; E196-S200 PolarHBondContact O-OG 3.31Å; E197-S200 PolarHBondContact O-N 3.38Å; F198-S200 VanDerWaalsContact C-N 3.29Å; F198-S200 PolarHBondContact O-N 3.34Å; S200-N203 PolarHBondContact O-N 2.81Å; S200-A204 PolarHBondContact O-N 3.06Å
201	L	88	Confident	84	Confident	22 Å²	22	40.8 Å²	40.8	12%	0.115	24%	0.238	C	C	.	.	H	α-helix	trans	-60	-49.5	173.8	172.6	65.8	0	0	0	111.6	I132 Q136 I139 L162 E197 F198 N203 A204 L205	I132-L201 HydrophobicContact CD1-CB 4.25Å; I132-L201 HydrophobicContact CD1-CD2 3.87Å; Q136-L201 HydrophobicContact CG-CD1 4.18Å; Q136-L201 HydrophobicContact CG-CD2 3.46Å; Q136-L201 VanDerWaalsContact CG-CD2 3.46Å; Q136-L201 HydrophobicContact CG-CG 4.46Å; I139-L201 HydrophobicContact CD1-CD2 4.32Å; L162-L201 HydrophobicContact CD2-CD1 4.47Å; E197-L201 WeakPolarHBondContact O-CB 3.41Å; E197-L201 PolarHBondContact O-N 2.73Å; F198-L201 WeakPolarHBondContact O-CB 3.13Å; F198-L201 PolarHBondContact O-N 3.21Å; L201-N203 VanDerWaalsContact C-N 3.28Å; L201-N203 PolarHBondContact O-N 3.3Å; L201-A204 WeakPolarHBondContact O-CB 3.31Å; L201-A204 PolarHBondContact O-N 3.3Å; L201-A204 VanDerWaalsContact O-N 3.16Å; L201-L205 HydrophobicContact CD1-CD1 4.01Å; L201-L205 HydrophobicContact CD1-CG 4.35Å; L201-L205 HydrophobicContact CG-CD1 4.17Å; L201-L205 WeakPolarHBondContact O-CG 3.49Å; L201-L205 PolarHBondContact O-N 3.05Å; L201-L205 VanDerWaalsContact O-N 3.08Å
202	C	86.4	Confident	84.2	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.014	21%	0.212	C	C	.	.	H	α-helix	trans	-60.5	-40.1	177	-69.3	0	0	0	0	111.7	F198 F199 A204 L205 R206 I213	F198-C202 VanDerWaalsContact CE2-SG 3.59Å; F198-C202 PolarHBondContact O-N 3.31Å; F198-C202 PolarHBondContact O-SG 3.17Å; F199-C202 PolarHBondContact O-N 2.99Å; C202-A204 VanDerWaalsContact C-N 3.34Å; C202-A204 PolarHBondContact O-N 3.15Å; C202-L205 PolarHBondContact O-N 2.63Å; C202-R206 PolarHBondContact O-N 3.28Å; C202-I213 HydrophobicContact CB-CD1 3.86Å
203	N	80.5	Confident	84.6	Confident	20 Å²	20	32.1 Å²	32.1	11%	0.107	19%	0.19	C	C	.	.	H	α-helix	trans	-65.8	-33.6	175.7	-86	-13.1	0	0	0	113.4	F199 S200 L201 L205 R206 P232 M236	F199-N203 VanDerWaalsContact O-CB 3.32Å; F199-N203 WeakPolarHBondContact O-CB 3.49Å; F199-N203 PolarHBondContact O-N 3.49Å; S200-N203 PolarHBondContact O-N 2.81Å; L201-N203 VanDerWaalsContact C-N 3.28Å; L201-N203 PolarHBondContact O-N 3.3Å; N203-L205 VanDerWaalsContact C-N 3.34Å; N203-R206 WeakPolarHBondContact O-CD 3.32Å; N203-R206 VanDerWaalsContact O-CG 3.25Å; N203-R206 WeakPolarHBondContact O-CG 3.37Å; N203-R206 PolarHBondContact O-NE 2.91Å; N203-P232 WeakPolarHBondContact ND2-CB 3.43Å; N203-P232 PolarHBondContact ND2-O 3.29Å; N203-M236 VanDerWaalsContact OD1-CE 3.3Å; N203-M236 WeakPolarHBondContact OD1-CE 3.25Å
204	A	82.8	Confident	84.7	Confident	72 Å²	72	29.3 Å²	29.3	60%	0.595	17%	0.167	S	C	*	.	H	α-helix	trans	-68.9	-33.9	174.2	0	0	0	0	0	111.9	S200 L201 C202	S200-A204 PolarHBondContact O-N 3.06Å; L201-A204 WeakPolarHBondContact O-CB 3.31Å; L201-A204 PolarHBondContact O-N 3.3Å; L201-A204 VanDerWaalsContact O-N 3.16Å; C202-A204 VanDerWaalsContact C-N 3.34Å; C202-A204 PolarHBondContact O-N 3.15Å
205	L	83.2	Confident	84.6	Confident	11 Å²	11	29 Å²	29	6%	0.058	17%	0.165	C	C	.	.	H	α-helix	trans	-85.2	-19.5	-178	-66.7	172.7	0	0	0	114.4	L162 V166 L201 C202 N203 G207 R208 L209 I211	L162-L205 HydrophobicContact CD2-CD1 4.1Å; V166-L205 HydrophobicContact CG2-CD2 4.06Å; L201-L205 HydrophobicContact CD1-CD1 4.01Å; L201-L205 HydrophobicContact CD1-CG 4.35Å; L201-L205 HydrophobicContact CG-CD1 4.17Å; L201-L205 WeakPolarHBondContact O-CG 3.49Å; L201-L205 PolarHBondContact O-N 3.05Å; L201-L205 VanDerWaalsContact O-N 3.08Å; C202-L205 PolarHBondContact O-N 2.63Å; N203-L205 VanDerWaalsContact C-N 3.34Å; L205-G207 PolarHBondContact O-N 3.02Å; L205-G207 VanDerWaalsContact O-N 3.08Å; L205-R208 WeakPolarHBondContact O-CA 3.4Å; L205-R208 WeakPolarHBondContact O-CB 3.1Å; L205-R208 PolarHBondContact O-N 2.86Å; L205-L209 PolarHBondContact O-N 3.32Å; L205-I211 HydrophobicContact CB-CD1 3.49Å; L205-I211 VanDerWaalsContact CB-CD1 3.49Å; L205-I211 HydrophobicContact CD1-CD1 4.44Å
206	R	77.3	Confident	84.6	Confident	47 Å²	47	27.7 Å²	27.7	18%	0.177	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.8	-172.4	76.6	-168.2	170.2	145.1	10.8	115.5	T87 C202 N203 R208 L209 R235	T87-R206 PolarHBondContact O-NH1 2.72Å; C202-R206 PolarHBondContact O-N 3.28Å; N203-R206 WeakPolarHBondContact O-CD 3.32Å; N203-R206 VanDerWaalsContact O-CG 3.25Å; N203-R206 WeakPolarHBondContact O-CG 3.37Å; N203-R206 PolarHBondContact O-NE 2.91Å; R206-R208 VanDerWaalsContact C-N 3.26Å; R206-L209 CarbonylContact C-O 3.42Å; R206-L209 VanDerWaalsContact O-O 3.14Å; R206-R235 PolarHBondContact NH1-O 2.66Å
207	G	73.7	Confident	84.3	Confident	53 Å²	53	24.1 Å²	24.1	55%	0.546	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-11.8	178.2	0	0	0	0	0	113.8	L205	L205-G207 PolarHBondContact O-N 3.02Å; L205-G207 VanDerWaalsContact O-N 3.08Å
208	R	81.7	Confident	83.6	Confident	68 Å²	68	19.8 Å²	19.8	26%	0.257	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-31.1	-172	-57.4	-176.3	66.3	-169.6	2.4	112.2	E163 V166 N167 E170 L205 R206	E163-R208 IonicContact OE1-CZ 3.26Å; E163-R208 VanDerWaalsContact OE1-CZ 3.26Å; E163-R208 IonicContact OE1-NH1 3.89Å; E163-R208 PolarHBondContact OE1-NH1 3.12Å; E163-R208 IonicContact OE1-NH2 2.87Å; E163-R208 PolarHBondContact OE1-NH2 3.33Å; E163-R208 IonicContact OE2-CZ 3.8Å; E163-R208 IonicContact OE2-NH1 2.84Å; E163-R208 PolarHBondContact OE2-NH1 3.11Å; E163-R208 IonicContact OE2-NH2 3.16Å; V166-R208 HydrophobicContact CG1-CB 3.76Å; V166-R208 VanDerWaalsContact CG1-CZ 3.42Å; N167-R208 PolarHBondContact OD1-NH2 3.42Å; E170-R208 WeakPolarHBondContact OE1-CB 2.99Å; E170-R208 WeakPolarHBondContact OE1-CG 3.21Å; E170-R208 IonicContact OE1-CZ 3.8Å; E170-R208 IonicContact OE1-NE 2.88Å; E170-R208 PolarHBondContact OE1-NE 2.99Å; E170-R208 IonicContact OE1-NH2 3.34Å; E170-R208 IonicContact OE2-CZ 3.51Å; E170-R208 IonicContact OE2-NE 3.08Å; E170-R208 PolarHBondContact OE2-NE 3.38Å; E170-R208 IonicContact OE2-NH2 3.57Å; E170-R208 PolarHBondContact OE2-NH2 3.28Å; L205-R208 WeakPolarHBondContact O-CA 3.4Å; L205-R208 WeakPolarHBondContact O-CB 3.1Å; L205-R208 PolarHBondContact O-N 2.86Å; R206-R208 VanDerWaalsContact C-N 3.26Å
209	L	81.1	Confident	82.6	Confident	15 Å²	15	22 Å²	22	8%	0.079	14%	0.136	C	C	.	.	S	Bend	trans	-132.7	145.3	179.5	-64.8	177.1	0	0	0	110.4	L143 V166 L169 L205 R206 I211	L143-L209 HydrophobicContact CD1-CD1 4.23Å; V166-L209 HydrophobicContact CG1-CD1 4.37Å; V166-L209 HydrophobicContact CG1-CD2 4.42Å; V166-L209 HydrophobicContact CG1-CG 4.12Å; V166-L209 HydrophobicContact CG2-CD1 3.82Å; V166-L209 HydrophobicContact CG2-CG 4.46Å; L169-L209 HydrophobicContact CB-CD2 4.25Å; L169-L209 HydrophobicContact CD1-CD2 3.76Å; L205-L209 PolarHBondContact O-N 3.32Å; R206-L209 CarbonylContact C-O 3.42Å; R206-L209 VanDerWaalsContact O-O 3.14Å; L209-I211 HydrophobicContact CB-CD1 4.4Å; L209-I211 HydrophobicContact CB-CG1 4.13Å; L209-I211 PolarHBondContact O-N 2.98Å
210	Q	81.9	Confident	81.6	Confident	17 Å²	17	28.7 Å²	28.7	8%	0.079	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	122.8	166.9	-53.5	-174.7	18.7	0	0	108.7	A81 P86 K176 L179 L180	A81-Q210 HydrophobicContact CB-CG 4.15Å; A81-Q210 VanDerWaalsContact CB-OE1 3.26Å; P86-Q210 HydrophobicContact CG-CG 3.87Å; K176-Q210 PolarHBondContact O-NE2 2.99Å; L179-Q210 HydrophobicContact CD1-CB 3.87Å; L180-Q210 WeakPolarHBondContact CB-O 3.39Å; L180-Q210 PolarHBondContact N-O 3.46Å
211	I	86.8	Confident	80.5	Confident	4 Å²	4	27 Å²	27	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.9	-174.9	-58.6	174.5	0	0	0	110	H90 L180 V182 L205 L209 I213	H90-I211 PolarHBondContact N-O 2.84Å; H90-I211 VanDerWaalsContact N-O 3.16Å; L180-I211 HydrophobicContact CB-CG1 4.46Å; L180-I211 HydrophobicContact CD2-CG1 4.42Å; L180-I211 WeakPolarHBondContact O-CA 3.34Å; V182-I211 HydrophobicContact CG2-CG2 4.5Å; L205-I211 HydrophobicContact CB-CD1 3.49Å; L205-I211 VanDerWaalsContact CB-CD1 3.49Å; L205-I211 HydrophobicContact CD1-CD1 4.44Å; L209-I211 HydrophobicContact CB-CD1 4.4Å; L209-I211 HydrophobicContact CB-CG1 4.13Å; L209-I211 PolarHBondContact O-N 2.98Å; I211-I213 HydrophobicContact CG2-CG1 3.98Å
212	A	89.3	Confident	79.5	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.6	169.2	0	0	0	0	0	109	W73 I77 H90 L179 L180 V181 V182	W73-A212 HydrophobicContact CH2-CB 3.76Å; W73-A212 HydrophobicContact CZ3-CB 3.82Å; I77-A212 HydrophobicContact CD1-CB 3.96Å; H90-A212 CarbonylContact O-C 3.54Å; L179-A212 HydrophobicContact CD1-CB 3.94Å; L179-A212 HydrophobicContact CD2-CB 4.25Å; L179-A212 HydrophobicContact CG-CB 4.29Å; L180-A212 PolarHBondContact O-N 2.95Å; V181-A212 CarbonylContact C-O 3.58Å; V181-A212 VanDerWaalsContact CA-O 3.3Å; V181-A212 WeakPolarHBondContact CA-O 3.49Å; V181-A212 HydrophobicContact CG2-CB 4.42Å; V182-A212 PolarHBondContact N-O 2.86Å
213	I	89.8	Confident	78.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.3	178.1	-54	174	0	0	0	108	H90 L91 L92 V182 V184 F198 F199 C202 I211	H90-I213 PolarHBondContact O-N 2.87Å; L91-I213 CarbonylContact C-O 3.48Å; L91-I213 WeakPolarHBondContact CA-O 3.47Å; L91-I213 HydrophobicContact CD1-CB 3.79Å; L91-I213 HydrophobicContact CD1-CG2 3.62Å; L92-I213 PolarHBondContact N-O 2.76Å; V182-I213 CarbonylContact O-C 3.36Å; V182-I213 WeakPolarHBondContact O-CA 3.3Å; V184-I213 HydrophobicContact CG2-CG2 4.18Å; F198-I213 HydrophobicContact CE1-CD1 4.19Å; F198-I213 HydrophobicContact CE1-CG2 4.1Å; F198-I213 HydrophobicContact CZ-CD1 4.26Å; F198-I213 HydrophobicContact CZ-CG2 4.19Å; F199-I213 HydrophobicContact CD1-CD1 4.06Å; F199-I213 HydrophobicContact CE1-CD1 4.1Å; C202-I213 HydrophobicContact CB-CD1 3.86Å; I211-I213 HydrophobicContact CG2-CG1 3.98Å
214	I	89.4	Confident	77.5	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	104.5	171.9	-57.4	172.2	0	0	0	107	L70 W73 L92 L110 V181 V182 M183 V184	L70-I214 HydrophobicContact CD1-CD1 3.85Å; W73-I214 HydrophobicContact CZ3-CG1 4.38Å; L92-I214 HydrophobicContact CB-CG1 4.48Å; L92-I214 CarbonylContact O-C 3.57Å; L92-I214 WeakPolarHBondContact O-CA 3.36Å; L110-I214 HydrophobicContact CD1-CD1 4.15Å; L110-I214 HydrophobicContact CD2-CD1 3.96Å; V181-I214 HydrophobicContact CG1-CD1 3.68Å; V181-I214 HydrophobicContact CG1-CG1 4.25Å; V182-I214 PolarHBondContact O-N 3.18Å; M183-I214 CarbonylContact C-O 3.59Å; M183-I214 WeakPolarHBondContact CA-O 3.44Å; V184-I214 PolarHBondContact N-O 3.2Å
215	A	87.3	Confident	76.3	Confident	1 Å²	1	33 Å²	33	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	116.9	-178	0	0	0	0	0	110.9	L91 L92 C94 L187	L91-A215 HydrophobicContact CD1-CB 3.83Å; L92-A215 PolarHBondContact O-N 3.4Å; C94-A215 WeakPolarHBondContact CB-O 3.49Å; C94-A215 PolarHBondContact N-O 2.83Å; L187-A215 HydrophobicContact CB-CB 4.45Å; L187-A215 HydrophobicContact CD2-CB 3.86Å
216	L	85.2	Confident	75.3	Confident	7 Å²	7	36.2 Å²	36.2	4%	0.037	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	116.7	174.2	-64.3	162.3	0	0	0	108.9	C94 T96 V103 L106 M183 V184 E185 E186 L187	C94-L216 HydrophobicContact CB-CD2 3.5Å; C94-L216 HydrophobicContact CB-CG 4.43Å; T96-L216 HydrophobicContact CG2-CB 4.01Å; T96-L216 HydrophobicContact CG2-CD2 3.49Å; T96-L216 VanDerWaalsContact CG2-CD2 3.49Å; T96-L216 HydrophobicContact CG2-CG 4.36Å; V103-L216 HydrophobicContact CG2-CD1 3.74Å; L106-L216 HydrophobicContact CD1-CD1 4.19Å; L106-L216 HydrophobicContact CD1-CD2 3.25Å; L106-L216 HydrophobicContact CD1-CG 4.21Å; M183-L216 HydrophobicContact CG-CD1 4.12Å; M183-L216 HydrophobicContact SD-CD1 4.14Å; V184-L216 PolarHBondContact O-N 3.19Å; E185-L216 HydrophobicContact CG-CD1 4.1Å; E186-L216 CarbonylContact C-O 3.58Å; E186-L216 VanDerWaalsContact CA-O 3.28Å; E186-L216 WeakPolarHBondContact CA-O 3.11Å; E186-L216 PolarHBondContact N-O 2.89Å; L187-L216 PolarHBondContact N-O 3.06Å
217	C	77.8	Confident	74.2	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.1	-179.3	66.9	0	0	0	0	111.1	I93 C94 P95 T96 N219	I93-C217 WeakPolarHBondContact CG2-SG 3.42Å; C94-C217 PolarHBondContact O-N 3.34Å; C94-C217 VanDerWaalsContact O-N 3.11Å; P95-C217 CarbonylContact C-O 3.54Å; P95-C217 WeakPolarHBondContact CA-O 3.23Å; T96-C217 PolarHBondContact N-O 3.11Å; T96-C217 PolarHBondContact OG1-O 3.4Å; C217-N219 PolarHBondContact O-N 3.38Å
218	A	72.9	Confident	73.3	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	135.8	174.2	0	0	0	0	0	111.3	T96 R98 E220 L221 T222	T96-A218 CarbonylContact O-C 3.52Å; T96-A218 WeakPolarHBondContact O-CA 3.44Å; R98-A218 HydrophobicContact CG-CB 3.56Å; A218-E220 PolarHBondContact O-N 2.95Å; A218-L221 HydrophobicContact CB-CB 4.28Å; A218-L221 HydrophobicContact CB-CD1 3.93Å; A218-L221 HydrophobicContact CB-CG 4.08Å; A218-L221 CarbonylContact O-C 3.59Å; A218-L221 WeakPolarHBondContact O-CA 3.4Å; A218-L221 PolarHBondContact O-N 2.71Å; A218-T222 PolarHBondContact O-N 2.96Å
219	N	68.6	Low	71.8	Confident	56 Å²	56	39.3 Å²	39.3	30%	0.299	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-48.6	-44.4	179.1	-76.5	3.6	0	0	0	112.8	P95 T96 C217 L221 T222 S243	P95-N219 VanDerWaalsContact CA-OD1 3.22Å; P95-N219 WeakPolarHBondContact CA-OD1 3.32Å; P95-N219 WeakPolarHBondContact CB-OD1 3.46Å; P95-N219 PolarHBondContact O-OD1 2.77Å; T96-N219 PolarHBondContact N-OD1 2.84Å; T96-N219 VanDerWaalsContact N-OD1 3.11Å; T96-N219 PolarHBondContact O-N 2.85Å; T96-N219 PolarHBondContact O-OD1 3.17Å; C217-N219 PolarHBondContact O-N 3.38Å; N219-L221 PolarHBondContact O-N 3.37Å; N219-L221 VanDerWaalsContact O-N 3.15Å; N219-T222 PolarHBondContact O-N 3.35Å; N219-T222 PolarHBondContact O-OG1 3.14Å; N219-S243 PolarHBondContact ND2-OG 3.42Å
220	E	64.7	Low	70.4	Confident	140 Å²	140	43.3 Å²	43.3	65%	0.654	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-64.6	-19.3	179.7	-61.9	174.1	-178.8	0	0	113.5	R98 A218	R98-E220 IonicContact CZ-OE2 2.7Å; R98-E220 IonicContact NH1-OE2 3.97Å; R98-E220 IonicContact NH2-OE2 3.07Å; R98-E220 PolarHBondContact NH2-OE2 3.34Å; A218-E220 PolarHBondContact O-N 2.95Å
221	L	63	Low	69.2	Low	28 Å²	28	46.4 Å²	46.4	15%	0.147	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-107.3	0.8	-174.8	-57.2	177.1	0	0	0	112	H188 A218 N219 S223 K224 C225	H188-L221 HydrophobicContact CB-CB 4.4Å; H188-L221 HydrophobicContact CB-CD1 3.62Å; H188-L221 WeakPolarHBondContact CD2-CD1 3.18Å; A218-L221 HydrophobicContact CB-CB 4.28Å; A218-L221 HydrophobicContact CB-CD1 3.93Å; A218-L221 HydrophobicContact CB-CG 4.08Å; A218-L221 CarbonylContact O-C 3.59Å; A218-L221 WeakPolarHBondContact O-CA 3.4Å; A218-L221 PolarHBondContact O-N 2.71Å; N219-L221 PolarHBondContact O-N 3.37Å; N219-L221 VanDerWaalsContact O-N 3.15Å; L221-S223 VanDerWaalsContact C-N 3.25Å; L221-S223 PolarHBondContact O-N 3.19Å; L221-K224 HydrophobicContact CD2-CD 3.88Å; L221-K224 CarbonylContact O-C 3.58Å; L221-K224 PolarHBondContact O-N 3.27Å; L221-C225 PolarHBondContact O-N 3.23Å; L221-C225 PolarHBondContact O-SG 2.92Å; L221-C225 VanDerWaalsContact O-SG 3.4Å
222	T	65.3	Low	67.8	Low	21 Å²	21	46.6 Å²	46.6	13%	0.129	27%	0.265	C	S	.	.	H	α-helix	trans	-57	-42	179	-45.3	0	0	0	0	111	I93 P95 A218 N219 C225 L226	I93-T222 HydrophobicContact CG2-CG2 3.82Å; P95-T222 HydrophobicContact CG-CG2 4.21Å; A218-T222 PolarHBondContact O-N 2.96Å; N219-T222 PolarHBondContact O-N 3.35Å; N219-T222 PolarHBondContact O-OG1 3.14Å; T222-C225 PolarHBondContact O-N 2.97Å; T222-L226 HydrophobicContact CG2-CD1 4.41Å; T222-L226 WeakPolarHBondContact O-CB 3.37Å; T222-L226 VanDerWaalsContact O-CG 3.31Å; T222-L226 WeakPolarHBondContact O-CG 3.31Å; T222-L226 PolarHBondContact O-N 3.47Å
223	S	62.2	Low	66.4	Low	74 Å²	74	47.9 Å²	47.9	52%	0.517	27%	0.27	S	S	.	.	H	α-helix	trans	-63.9	-43.3	174.3	58.1	0	0	0	0	112.3	L221 C225 L226 C227	L221-S223 VanDerWaalsContact C-N 3.25Å; L221-S223 PolarHBondContact O-N 3.19Å; S223-C225 PolarHBondContact O-N 3.36Å; S223-L226 CarbonylContact O-C 3.53Å; S223-L226 PolarHBondContact O-N 3.05Å; S223-C227 WeakPolarHBondContact O-CB 3.38Å; S223-C227 PolarHBondContact O-N 3.38Å; S223-C227 PolarHBondContact O-SG 3.09Å
224	K	62.7	Low	65	Low	145 Å²	145	53.5 Å²	53.5	63%	0.63	30%	0.301	S	S	*	.	H	α-helix	trans	-66.1	-36.2	176.7	-69.6	-169.6	-176.3	178.4	0	112.8	L221 L226 C227	L221-K224 HydrophobicContact CD2-CD 3.88Å; L221-K224 CarbonylContact O-C 3.58Å; L221-K224 PolarHBondContact O-N 3.27Å; K224-L226 VanDerWaalsContact C-N 3.31Å; K224-C227 PolarHBondContact O-N 3.04Å
225	C	59	Low	63.9	Low	4 Å²	4	60.1 Å²	60.1	3%	0.027	33%	0.325	C	S	.	.	H	α-helix	trans	-67.2	-33.5	174	-70.9	0	0	0	0	111.8	L221 T222 S223	L221-C225 PolarHBondContact O-N 3.23Å; L221-C225 PolarHBondContact O-SG 2.92Å; L221-C225 VanDerWaalsContact O-SG 3.4Å; T222-C225 PolarHBondContact O-N 2.97Å; S223-C225 PolarHBondContact O-N 3.36Å
226	L	60.7	Low	63.3	Low	78 Å²	78	60.7 Å²	60.7	41%	0.408	33%	0.328	S	S	.	.	H	α-helix	trans	-76.9	-26.9	173.6	-74	167.6	0	0	0	113.2	I93 T222 S223 K224 M228 V238	I93-L226 HydrophobicContact CD1-CD2 3.39Å; I93-L226 HydrophobicContact CD1-CG 3.79Å; T222-L226 HydrophobicContact CG2-CD1 4.41Å; T222-L226 WeakPolarHBondContact O-CB 3.37Å; T222-L226 VanDerWaalsContact O-CG 3.31Å; T222-L226 WeakPolarHBondContact O-CG 3.31Å; T222-L226 PolarHBondContact O-N 3.47Å; S223-L226 CarbonylContact O-C 3.53Å; S223-L226 PolarHBondContact O-N 3.05Å; K224-L226 VanDerWaalsContact C-N 3.31Å; L226-M228 VanDerWaalsContact C-N 3.25Å; L226-M228 PolarHBondContact O-N 3.37Å; L226-V238 HydrophobicContact CD2-CG1 4.06Å
227	C	55.3	Low	63	Low	100 Å²	100	63 Å²	63	68%	0.676	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	7.8	178.9	-66.7	0	0	0	0	113.9	S223 K224 L229	S223-C227 WeakPolarHBondContact O-CB 3.38Å; S223-C227 PolarHBondContact O-N 3.38Å; S223-C227 PolarHBondContact O-SG 3.09Å; K224-C227 PolarHBondContact O-N 3.04Å; C227-L229 PolarHBondContact O-N 3.43Å
228	M	54.7	Low	63	Low	14 Å²	14	65.4 Å²	65.4	7%	0.069	36%	0.355	C	S	.	.	S	Bend	trans	-60.7	130.2	168.9	-64.2	-149.3	-37	0	0	108.4	R195 F199 L226 F233	R195-M228 HydrophobicContact CB-CE 3.91Å; R195-M228 HydrophobicContact CB-SD 4.07Å; R195-M228 VanDerWaalsContact CZ-SD 3.54Å; R195-M228 PolarHBondContact NH1-SD 2.77Å; F199-M228 HydrophobicContact CD2-CE 3.54Å; F199-M228 HydrophobicContact CE2-CE 3.4Å; F199-M228 VanDerWaalsContact CE2-CE 3.4Å; L226-M228 VanDerWaalsContact C-N 3.25Å; L226-M228 PolarHBondContact O-N 3.37Å; M228-F233 HydrophobicContact CB-CD2 4.28Å; M228-F233 HydrophobicContact CB-CE2 3.56Å; M228-F233 HydrophobicContact CB-CZ 4.27Å; M228-F233 HydrophobicContact CE-CE2 3.5Å; M228-F233 HydrophobicContact CE-CZ 3.71Å; M228-F233 HydrophobicContact CG-CE2 4.41Å
229	L	50.5	Low	63.6	Low	119 Å²	119	66.7 Å²	66.7	62%	0.623	36%	0.364	S	S	*	.			trans	-48.1	140.6	-165.3	-67.4	157.7	0	0	0	112.5	C227 S231	C227-L229 PolarHBondContact O-N 3.43Å; L229-S231 CarbonylContact O-C 3.55Å; L229-S231 PolarHBondContact O-N 2.89Å
230	S	50.6	Low	64.2	Low	98 Å²	98	67.4 Å²	67.4	69%	0.685	37%	0.37	S	S	*	.	S	Bend	trans	-40.3	125.4	173.4	41.7	0	0	0	0	111.8
231	S	56.9	Low	65	Low	83 Å²	83	60.9 Å²	60.9	58%	0.58	34%	0.34	S	S	*	.	S	Bend	trans	67.1	102.7	-163.9	178	0	0	0	0	114.4	L229 D234	L229-S231 CarbonylContact O-C 3.55Å; L229-S231 PolarHBondContact O-N 2.89Å; S231-D234 PolarHBondContact N-OD2 3.02Å
232	P	58.1	Low	65.5	Low	8 Å²	8	62.2 Å²	62.2	5%	0.052	35%	0.351	C	S	.	.	S	Bend	cis	-100.5	-1.9	40.7	30.4	-32	0	0	0	117.9	F199 N203 D234 R235 M236	F199-P232 HydrophobicContact CB-CB 3.99Å; F199-P232 HydrophobicContact CB-CG 3.38Å; F199-P232 HydrophobicContact CG-CG 4.26Å; N203-P232 WeakPolarHBondContact ND2-CB 3.43Å; N203-P232 PolarHBondContact ND2-O 3.29Å; P232-D234 PolarHBondContact O-N 3.04Å; P232-R235 PolarHBondContact O-N 3.17Å; P232-M236 HydrophobicContact CB-CE 4.47Å
233	F	59.2	Low	65.6	Low	26 Å²	26	64.4 Å²	64.4	11%	0.114	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-72.4	-25.6	-172.1	-73.8	-88.8	0	0	0	115.5	L91 F199 M228 R235 M236 V238	L91-F233 HydrophobicContact CD2-CD1 4.13Å; L91-F233 HydrophobicContact CD2-CE1 3.52Å; F199-F233 HydrophobicContact CD2-CE2 4.37Å; F199-F233 HydrophobicContact CD2-CZ 4.13Å; F199-F233 HydrophobicContact CE2-CE2 4.41Å; F199-F233 AromaticContact CE2-CZ 3.79Å; F199-F233 HydrophobicContact CE2-CZ 3.79Å; F199-F233 HydrophobicContact CZ-CE1 4.43Å; F199-F233 HydrophobicContact CZ-CZ 4.02Å; M228-F233 HydrophobicContact CB-CD2 4.28Å; M228-F233 HydrophobicContact CB-CE2 3.56Å; M228-F233 HydrophobicContact CB-CZ 4.27Å; M228-F233 HydrophobicContact CE-CE2 3.5Å; M228-F233 HydrophobicContact CE-CZ 3.71Å; M228-F233 HydrophobicContact CG-CE2 4.41Å; F233-R235 PolarHBondContact O-N 3Å; F233-M236 PolarHBondContact O-N 3Å; F233-V238 HydrophobicContact CD1-CG2 4.3Å
234	D	61.5	Low	65.6	Low	119 Å²	119	61.6 Å²	61.6	64%	0.636	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-59.8	-11.3	176.8	-55.4	-29.7	0	0	0	113.1	S231 P232	S231-D234 PolarHBondContact N-OD2 3.02Å; P232-D234 PolarHBondContact O-N 3.04Å
235	R	66.3	Low	65.7	Low	139 Å²	139	57 Å²	57	53%	0.525	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-113.8	11.7	-174.9	-79.5	-178.7	-175.3	-169.1	7	112.9	F88 R206 P232 F233	F88-R235 WeakPolarHBondContact CD1-O 3.4Å; R206-R235 PolarHBondContact NH1-O 2.66Å; P232-R235 PolarHBondContact O-N 3.17Å; F233-R235 PolarHBondContact O-N 3Å
236	M	74.2	Confident	66	Low	14 Å²	14	56.9 Å²	56.9	7%	0.069	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.5	179.1	-61.7	-173.2	-179.8	0	0	111.8	A89 L91 F199 N203 P232 F233 V238	A89-M236 HydrophobicContact CB-CG 4.3Å; A89-M236 CarbonylContact O-C 3.5Å; A89-M236 WeakPolarHBondContact O-CA 3.49Å; L91-M236 HydrophobicContact CB-SD 4.5Å; L91-M236 HydrophobicContact CD2-SD 4.49Å; F199-M236 HydrophobicContact CB-CE 3.84Å; F199-M236 HydrophobicContact CD1-CE 3.54Å; F199-M236 HydrophobicContact CD1-SD 3.78Å; F199-M236 HydrophobicContact CE1-CE 4.48Å; F199-M236 HydrophobicContact CE1-SD 4.19Å; F199-M236 HydrophobicContact CG-CE 4.06Å; N203-M236 VanDerWaalsContact OD1-CE 3.3Å; N203-M236 WeakPolarHBondContact OD1-CE 3.25Å; P232-M236 HydrophobicContact CB-CE 4.47Å; F233-M236 PolarHBondContact O-N 3Å; M236-V238 HydrophobicContact CB-CG2 4.19Å; M236-V238 PolarHBondContact O-N 2.88Å
237	D	78.1	Confident	66.2	Low	54 Å²	54	55.4 Å²	55.4	29%	0.289	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	99.6	169.5	-172.6	7.3	0	0	0	107.7	K80 F88 A89 H90 L91	K80-D237 IonicContact NZ-OD2 3.85Å; K80-D237 PolarHBondContact NZ-OD2 3.3Å; K80-D237 VanDerWaalsContact NZ-OD2 3.08Å; F88-D237 HydrophobicContact CB-CB 4.44Å; A89-D237 PolarHBondContact O-N 3.38Å; H90-D237 IonicContact CE1-OD2 3.09Å; H90-D237 IonicContact ND1-OD2 2.66Å; H90-D237 PolarHBondContact ND1-OD2 3.08Å; L91-D237 PolarHBondContact N-O 2.91Å
238	V	79.6	Confident	67.1	Low	52 Å²	52	54.1 Å²	54.1	32%	0.315	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	123.8	-172.9	-173.7	0	0	0	0	110.2	L91 I93 L226 F233 M236	L91-V238 HydrophobicContact CB-CG2 4.4Å; L91-V238 HydrophobicContact CD2-CG1 4.39Å; L91-V238 HydrophobicContact CD2-CG2 4.26Å; L91-V238 CarbonylContact O-C 3.52Å; L91-V238 WeakPolarHBondContact O-CA 3.47Å; I93-V238 HydrophobicContact CD1-CG1 3.95Å; I93-V238 HydrophobicContact CG1-CG1 4.29Å; L226-V238 HydrophobicContact CD2-CG1 4.06Å; F233-V238 HydrophobicContact CD1-CG2 4.3Å; M236-V238 HydrophobicContact CB-CG2 4.19Å; M236-V238 PolarHBondContact O-N 2.88Å
239	S	84.5	Confident	68.3	Low	28 Å²	28	53.5 Å²	53.5	20%	0.196	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146.7	171.7	-59.5	0	0	0	0	109.4	W73 L91 L92 I93	W73-S239 PolarHBondContact NE1-OG 2.98Å; L91-S239 PolarHBondContact O-N 3.27Å; L92-S239 WeakPolarHBondContact CA-O 3.44Å; I93-S239 PolarHBondContact N-O 3.32Å
240	V	81.9	Confident	69.9	Low	71 Å²	71	47.9 Å²	47.9	43%	0.43	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.7	174.9	-174.4	0	0	0	0	108.2	I93 P95	I93-V240 HydrophobicContact CB-CG2 4.42Å; P95-V240 HydrophobicContact CG-CG1 3.92Å
241	C	79.9	Confident	71.5	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.02	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-70.5	142.9	176.1	-156.7	0	0	0	0	109.8	R66 L92 I93 S243	R66-C241 WeakPolarHBondContact CD-SG 3.25Å; R66-C241 WeakPolarHBondContact CG-SG 3.43Å; R66-C241 PolarHBondContact NE-SG 3.46Å; L92-C241 HydrophobicContact CD1-CB 3.92Å; L92-C241 HydrophobicContact CG-CB 4.41Å; I93-C241 WeakPolarHBondContact O-CB 3.33Å; I93-C241 PolarHBondContact O-N 3.15Å; C241-S243 PolarHBondContact O-N 3.29Å
242	P	74.1	Confident	72.9	Confident	57 Å²	57	44.9 Å²	44.9	37%	0.37	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-51.1	129.4	170.1	-25.4	33.7	0	0	0	110.6	A244	P242-A244 PolarHBondContact O-N 3.05Å
243	S	66.9	Low	74.4	Confident	67 Å²	67	44.5 Å²	44.5	47%	0.469	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-73.3	125.2	175.5	-171.3	0	0	0	0	108.7	N219 C241	N219-S243 PolarHBondContact ND2-OG 3.42Å; C241-S243 PolarHBondContact O-N 3.29Å
244	A	63.6	Low	75.9	Confident	15 Å²	15	43.4 Å²	43.4	12%	0.124	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-88	124.9	162.3	0	0	0	0	0	107.4	Y63 P242 D246	Y63-A244 HydrophobicContact CE1-CB 4.33Å; P242-A244 PolarHBondContact O-N 3.05Å; A244-D246 PolarHBondContact O-N 2.95Å
245	S	64.8	Low	77.1	Confident	47 Å²	47	39.9 Å²	39.9	33%	0.329	22%	0.218	S	C	.	.			trans	-80.7	109	172.5	52.4	0	0	0	0	109.5	E97 H247 D248 A249	E97-S245 WeakPolarHBondContact OE1-CA 3.36Å; S245-H247 VanDerWaalsContact C-N 3.26Å; S245-H247 PolarHBondContact O-N 3.23Å; S245-D248 PolarHBondContact O-N 3.36Å; S245-D248 VanDerWaalsContact O-N 3.07Å; S245-D248 WeakPolarHBondContact OG-CB 3.39Å; S245-D248 PolarHBondContact OG-OD2 3.02Å; S245-D248 VanDerWaalsContact OG-OD2 3.09Å; S245-A249 PolarHBondContact O-N 2.98Å; S245-A249 VanDerWaalsContact O-N 3.15Å
246	D	64.6	Low	78.3	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.011	20%	0.203	C	C	.	.	H	α-helix	trans	-69	-27.7	-178.8	-169.2	48	0	0	0	112.6	E97 L100 A244 D248 A249 A250 S286 V287	E97-D246 HydrophobicContact CB-CB 4.41Å; E97-D246 VanDerWaalsContact CD-CB 3.42Å; E97-D246 HydrophobicContact CG-CB 4.08Å; E97-D246 PolarHBondContact OE1-N 2.62Å; E97-D246 WeakPolarHBondContact OE2-CB 3.16Å; L100-D246 HydrophobicContact CD1-CB 3.31Å; L100-D246 WeakPolarHBondContact CD1-OD2 3.37Å; L100-D246 WeakPolarHBondContact CD2-OD2 3.43Å; L100-D246 HydrophobicContact CG-CB 4.09Å; L100-D246 VanDerWaalsContact CG-OD2 3.3Å; L100-D246 WeakPolarHBondContact CG-OD2 3.4Å; A244-D246 PolarHBondContact O-N 2.95Å; D246-D248 VanDerWaalsContact C-N 3.26Å; D246-D248 PolarHBondContact O-N 2.93Å; D246-A249 CarbonylContact O-C 3.56Å; D246-A249 WeakPolarHBondContact O-CA 3.22Å; D246-A249 WeakPolarHBondContact O-CB 3.3Å; D246-A249 PolarHBondContact O-N 3.29Å; D246-A250 PolarHBondContact O-N 3.28Å; D246-S286 WeakPolarHBondContact OD2-CA 3.21Å; D246-S286 WeakPolarHBondContact OD2-CB 3.41Å; D246-V287 VanDerWaalsContact OD1-CB 3.29Å; D246-V287 WeakPolarHBondContact OD1-CB 3.29Å; D246-V287 WeakPolarHBondContact OD1-CG1 3.5Å; D246-V287 PolarHBondContact OD1-N 2.77Å; D246-V287 PolarHBondContact OD2-N 3.04Å
247	H	65.4	Low	79.1	Confident	48 Å²	48	34.8 Å²	34.8	22%	0.222	20%	0.2	C	C	.	.	H	α-helix	trans	-57.2	-41.6	168.3	166.3	-96.3	0	0	0	112.5	E97 S245 A249 A250 K251 P284	E97-H247 PolarHBondContact OE1-N 3.25Å; S245-H247 VanDerWaalsContact C-N 3.26Å; S245-H247 PolarHBondContact O-N 3.23Å; H247-A249 VanDerWaalsContact C-N 3.29Å; H247-A250 PolarHBondContact O-N 3.18Å; H247-K251 WeakPolarHBondContact CE1-CE 3.42Å; H247-K251 PolarHBondContact CE1-NZ 3.44Å; H247-K251 WeakPolarHBondContact NE2-CE 3.38Å; H247-K251 PolarHBondContact NE2-NZ 3.38Å; H247-K251 VanDerWaalsContact NE2-NZ 3.13Å; H247-K251 WeakPolarHBondContact O-CG 3.09Å; H247-K251 PolarHBondContact O-N 2.69Å; H247-K251 VanDerWaalsContact O-N 3.17Å; H247-P284 HydrophobicContact CB-CB 3.73Å
248	D	74.6	Confident	79.7	Confident	72 Å²	72	32.5 Å²	32.5	39%	0.385	19%	0.188	S	C	.	.	H	α-helix	trans	-71.7	-31.7	176.1	-67.7	-7.7	0	0	0	110.1	S245 D246 K251 I252	S245-D248 PolarHBondContact O-N 3.36Å; S245-D248 VanDerWaalsContact O-N 3.07Å; S245-D248 WeakPolarHBondContact OG-CB 3.39Å; S245-D248 PolarHBondContact OG-OD2 3.02Å; S245-D248 VanDerWaalsContact OG-OD2 3.09Å; D246-D248 VanDerWaalsContact C-N 3.26Å; D246-D248 PolarHBondContact O-N 2.93Å; D248-K251 PolarHBondContact O-N 3.45Å; D248-I252 WeakPolarHBondContact O-CB 3.19Å; D248-I252 WeakPolarHBondContact O-CD1 3.07Å; D248-I252 WeakPolarHBondContact O-CG1 3.5Å; D248-I252 PolarHBondContact O-N 3.01Å
249	A	79.5	Confident	80.1	Confident	2 Å²	2	31 Å²	31	2%	0.017	18%	0.18	C	C	.	.	H	α-helix	trans	-57.6	-48.8	170.7	0	0	0	0	0	112.3	L58 M62 S245 D246 H247 K251 I252 L253 V287	L58-A249 HydrophobicContact CD2-CB 4.42Å; L58-A249 WeakPolarHBondContact CD2-O 3.42Å; M62-A249 HydrophobicContact CE-CB 3.54Å; M62-A249 WeakPolarHBondContact SD-CA 3.04Å; M62-A249 HydrophobicContact SD-CB 3.16Å; M62-A249 WeakPolarHBondContact SD-CB 3.48Å; S245-A249 PolarHBondContact O-N 2.98Å; S245-A249 VanDerWaalsContact O-N 3.15Å; D246-A249 CarbonylContact O-C 3.56Å; D246-A249 WeakPolarHBondContact O-CA 3.22Å; D246-A249 WeakPolarHBondContact O-CB 3.3Å; D246-A249 PolarHBondContact O-N 3.29Å; H247-A249 VanDerWaalsContact C-N 3.29Å; A249-K251 VanDerWaalsContact C-N 3.32Å; A249-K251 PolarHBondContact O-N 3.38Å; A249-I252 PolarHBondContact O-N 2.93Å; A249-L253 WeakPolarHBondContact O-CB 3.5Å; A249-L253 PolarHBondContact O-N 2.97Å; A249-V287 HydrophobicContact CB-CB 3.87Å; A249-V287 HydrophobicContact CB-CG1 4.39Å; A249-V287 HydrophobicContact CB-CG2 4.12Å
250	A	83.4	Confident	80.4	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.9	-42.1	176.9	0	0	0	0	0	111.8	D246 H247 L253 S254 F276 L285 V287 F290	D246-A250 PolarHBondContact O-N 3.28Å; H247-A250 PolarHBondContact O-N 3.18Å; A250-L253 PolarHBondContact O-N 2.96Å; A250-S254 VanDerWaalsContact O-CB 3.27Å; A250-S254 WeakPolarHBondContact O-CB 3.5Å; A250-S254 PolarHBondContact O-N 2.87Å; A250-F276 HydrophobicContact CB-CE1 4.07Å; A250-F276 HydrophobicContact CB-CZ 4.25Å; A250-L285 VanDerWaalsContact CB-O 3.28Å; A250-L285 WeakPolarHBondContact CB-O 3.36Å; A250-V287 HydrophobicContact CB-CB 4.47Å; A250-F290 HydrophobicContact CB-CB 4.12Å; A250-F290 HydrophobicContact CB-CG 4.48Å
251	K	84.7	Confident	80.5	Confident	57 Å²	57	29.1 Å²	29.1	25%	0.248	17%	0.168	C	C	.	.	H	α-helix	trans	-65.9	-43.7	176.4	-71.9	-176.3	174.6	179.3	0	112.5	H247 D248 A249 S254 L255 F276	H247-K251 WeakPolarHBondContact CE1-CE 3.42Å; H247-K251 PolarHBondContact CE1-NZ 3.44Å; H247-K251 WeakPolarHBondContact NE2-CE 3.38Å; H247-K251 PolarHBondContact NE2-NZ 3.38Å; H247-K251 VanDerWaalsContact NE2-NZ 3.13Å; H247-K251 WeakPolarHBondContact O-CG 3.09Å; H247-K251 PolarHBondContact O-N 2.69Å; H247-K251 VanDerWaalsContact O-N 3.17Å; D248-K251 PolarHBondContact O-N 3.45Å; A249-K251 VanDerWaalsContact C-N 3.32Å; A249-K251 PolarHBondContact O-N 3.38Å; K251-S254 PolarHBondContact O-N 3.43Å; K251-L255 WeakPolarHBondContact O-CB 3.37Å; K251-L255 PolarHBondContact O-N 3.35Å; K251-F276 HydrophobicContact CG-CE1 3.91Å; K251-F276 HydrophobicContact CG-CZ 4.26Å
252	I	86	Confident	80.8	Confident	61 Å²	61	33 Å²	33	31%	0.313	19%	0.189	S	C	.	.	H	α-helix	trans	-63.8	-43.7	176.4	-66.2	161.8	0	0	0	109.8	L58 M62 D248 A249 L255 K256	L58-I252 HydrophobicContact CD1-CB 4.02Å; L58-I252 HydrophobicContact CD1-CG2 3.47Å; L58-I252 VanDerWaalsContact CD1-CG2 3.47Å; M62-I252 HydrophobicContact SD-CD1 4.27Å; D248-I252 WeakPolarHBondContact O-CB 3.19Å; D248-I252 WeakPolarHBondContact O-CD1 3.07Å; D248-I252 WeakPolarHBondContact O-CG1 3.5Å; D248-I252 PolarHBondContact O-N 3.01Å; A249-I252 PolarHBondContact O-N 2.93Å; I252-L255 PolarHBondContact O-N 3.25Å; I252-K256 HydrophobicContact CG2-CD 4.16Å; I252-K256 HydrophobicContact CG2-CG 4.35Å; I252-K256 WeakPolarHBondContact O-CB 3.48Å; I252-K256 WeakPolarHBondContact O-CG 3.49Å; I252-K256 PolarHBondContact O-N 3.28Å
253	L	89.1	Confident	81.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-49.5	176.7	-169.3	50.4	0	0	0	111	F54 E55 L58 A249 A250 L255 K256 L257 V287 F290 S291	F54-L253 HydrophobicContact CB-CD1 4.07Å; E55-L253 HydrophobicContact CG-CD2 4.15Å; L58-L253 HydrophobicContact CD2-CB 3.59Å; L58-L253 HydrophobicContact CD2-CD1 4.04Å; L58-L253 HydrophobicContact CD2-CD2 4.25Å; L58-L253 HydrophobicContact CD2-CG 4.14Å; A249-L253 WeakPolarHBondContact O-CB 3.5Å; A249-L253 PolarHBondContact O-N 2.97Å; A250-L253 PolarHBondContact O-N 2.96Å; L253-L255 VanDerWaalsContact C-N 3.28Å; L253-L255 PolarHBondContact O-N 3.41Å; L253-K256 PolarHBondContact O-N 2.91Å; L253-K256 VanDerWaalsContact O-N 3.16Å; L253-L257 HydrophobicContact CD1-CD1 4.07Å; L253-L257 HydrophobicContact CD1-CG 4.06Å; L253-L257 HydrophobicContact CG-CD1 3.83Å; L253-L257 HydrophobicContact CG-CG 4.29Å; L253-L257 WeakPolarHBondContact O-CB 3.18Å; L253-L257 VanDerWaalsContact O-CG 3.3Å; L253-L257 WeakPolarHBondContact O-CG 3.36Å; L253-L257 PolarHBondContact O-N 3.07Å; L253-V287 HydrophobicContact CB-CG2 4.19Å; L253-V287 HydrophobicContact CD2-CG2 3.58Å; L253-F290 HydrophobicContact CB-CD1 4.42Å; L253-F290 HydrophobicContact CB-CE1 4.32Å; L253-F290 HydrophobicContact CD2-CD1 4.09Å; L253-F290 HydrophobicContact CD2-CE1 4.34Å; L253-F290 HydrophobicContact CG-CD1 4.34Å; L253-F290 HydrophobicContact CG-CE1 4.16Å; L253-S291 WeakPolarHBondContact CD2-OG 3.26Å
254	S	90.7	Very high	82.7	Confident	3 Å²	3	27.5 Å²	27.5	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-52.9	-47	175.9	177.5	0	0	0	0	111.2	A250 K251 A258	A250-S254 VanDerWaalsContact O-CB 3.27Å; A250-S254 WeakPolarHBondContact O-CB 3.5Å; A250-S254 PolarHBondContact O-N 2.87Å; K251-S254 PolarHBondContact O-N 3.43Å; S254-A258 WeakPolarHBondContact O-CB 3.36Å; S254-A258 PolarHBondContact O-N 2.83Å
255	L	88.1	Confident	84.2	Confident	45 Å²	45	26.8 Å²	26.8	24%	0.236	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-47.4	175.7	163.1	62.1	0	0	0	112.9	K251 I252 L253 A258 S259 F387	K251-L255 WeakPolarHBondContact O-CB 3.37Å; K251-L255 PolarHBondContact O-N 3.35Å; I252-L255 PolarHBondContact O-N 3.25Å; L253-L255 VanDerWaalsContact C-N 3.28Å; L253-L255 PolarHBondContact O-N 3.41Å; L255-A258 PolarHBondContact O-N 3.13Å; L255-S259 WeakPolarHBondContact O-CB 3.39Å; L255-S259 PolarHBondContact O-N 2.88Å; L255-S259 PolarHBondContact O-OG 3.49Å; L255-F387 HydrophobicContact CB-CD1 4.03Å; L255-F387 HydrophobicContact CB-CE1 4.23Å; L255-F387 HydrophobicContact CD1-CD1 3.53Å; L255-F387 HydrophobicContact CD1-CD2 3.67Å; L255-F387 HydrophobicContact CD1-CE1 3.24Å; L255-F387 HydrophobicContact CD1-CE2 3.33Å; L255-F387 HydrophobicContact CD1-CG 3.76Å; L255-F387 HydrophobicContact CD1-CZ 3.15Å; L255-F387 HydrophobicContact CD2-CD2 4.49Å; L255-F387 HydrophobicContact CD2-CG 4.33Å; L255-F387 HydrophobicContact CG-CD1 4.23Å; L255-F387 HydrophobicContact CG-CE1 4.29Å; L255-F387 HydrophobicContact CG-CG 4.45Å
256	K	90.2	Very high	85.6	Confident	47 Å²	47	24.5 Å²	24.5	20%	0.204	13%	0.129	C	C	.	.	H	α-helix	trans	-60.4	-46.9	179.3	-77	-177.8	175.1	-175.7	0	110.6	F54 D61 I252 L253 S260	F54-K256 HydrophobicContact CD1-CB 3.95Å; F54-K256 HydrophobicContact CE1-CB 4.23Å; D61-K256 IonicContact OD2-NZ 3Å; D61-K256 PolarHBondContact OD2-NZ 3.26Å; I252-K256 HydrophobicContact CG2-CD 4.16Å; I252-K256 HydrophobicContact CG2-CG 4.35Å; I252-K256 WeakPolarHBondContact O-CB 3.48Å; I252-K256 WeakPolarHBondContact O-CG 3.49Å; I252-K256 PolarHBondContact O-N 3.28Å; L253-K256 PolarHBondContact O-N 2.91Å; L253-K256 VanDerWaalsContact O-N 3.16Å; K256-S260 WeakPolarHBondContact O-CB 3.12Å; K256-S260 PolarHBondContact O-N 3.44Å; K256-S260 VanDerWaalsContact O-N 3.15Å
257	L	92.5	Very high	86.9	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.4	-46	176.8	-68.1	171.5	0	0	0	111.6	L51 F54 L253 S259 L263 K266 F290 Y294	L51-L257 HydrophobicContact CD1-CD1 3.66Å; L51-L257 HydrophobicContact CD1-CD2 3.72Å; L51-L257 HydrophobicContact CD1-CG 4.33Å; F54-L257 HydrophobicContact CB-CD2 3.96Å; F54-L257 HydrophobicContact CD2-CD2 3.85Å; F54-L257 HydrophobicContact CG-CD2 3.92Å; L253-L257 HydrophobicContact CD1-CD1 4.07Å; L253-L257 HydrophobicContact CD1-CG 4.06Å; L253-L257 HydrophobicContact CG-CD1 3.83Å; L253-L257 HydrophobicContact CG-CG 4.29Å; L253-L257 WeakPolarHBondContact O-CB 3.18Å; L253-L257 VanDerWaalsContact O-CG 3.3Å; L253-L257 WeakPolarHBondContact O-CG 3.36Å; L253-L257 PolarHBondContact O-N 3.07Å; L257-S259 PolarHBondContact O-N 3.15Å; L257-L263 HydrophobicContact CB-CD2 4.29Å; L257-L263 HydrophobicContact CD2-CD2 3.63Å; L257-K266 PolarHBondContact O-NZ 2.9Å; L257-F290 HydrophobicContact CD1-CE1 4.03Å; L257-Y294 HydrophobicContact CB-CE2 4.33Å; L257-Y294 HydrophobicContact CD1-CD1 4.21Å; L257-Y294 HydrophobicContact CD1-CD2 4.01Å; L257-Y294 HydrophobicContact CD1-CE1 4.03Å; L257-Y294 HydrophobicContact CD1-CE2 3.84Å; L257-Y294 HydrophobicContact CD1-CG 4.21Å
258	A	90.5	Very high	88	Confident	5 Å²	5	22.4 Å²	22.4	4%	0.041	12%	0.12	C	C	.	.	H	α-helix	trans	-61.1	-45.6	-179.9	0	0	0	0	0	111.1	S254 L255 K266 H361 F365 Y391	S254-A258 WeakPolarHBondContact O-CB 3.36Å; S254-A258 PolarHBondContact O-N 2.83Å; L255-A258 PolarHBondContact O-N 3.13Å; A258-K266 WeakPolarHBondContact O-CD 3.38Å; A258-K266 VanDerWaalsContact O-CE 3.26Å; A258-K266 WeakPolarHBondContact O-CE 3.11Å; A258-K266 PolarHBondContact O-NZ 3.23Å; A258-H361 PolarHBondContact O-CE1 3.04Å; A258-H361 PolarHBondContact O-NE2 2.95Å; A258-F365 VanDerWaalsContact C-CE1 3.47Å; A258-F365 HydrophobicContact CB-CE1 3.71Å; A258-F365 HydrophobicContact CB-CZ 3.67Å; A258-F365 VanDerWaalsContact O-CE2 3.24Å; A258-F365 WeakPolarHBondContact O-CE2 3.41Å; A258-F365 WeakPolarHBondContact O-CZ 3.03Å; A258-Y391 HydrophobicContact CB-CE2 4.11Å
259	S	88.2	Confident	88.5	Confident	22 Å²	22	19.5 Å²	19.5	15%	0.154	11%	0.106	C	C	.	.	H	α-helix	trans	-83.4	-8.2	-174.2	65.2	0	0	0	0	116.2	L255 L257 T261 F365	L255-S259 WeakPolarHBondContact O-CB 3.39Å; L255-S259 PolarHBondContact O-N 2.88Å; L255-S259 PolarHBondContact O-OG 3.49Å; L257-S259 PolarHBondContact O-N 3.15Å; S259-T261 PolarHBondContact O-N 2.97Å; S259-F365 VanDerWaalsContact CA-CD1 3.5Å
260	S	89.3	Confident	88.8	Confident	11 Å²	11	21.4 Å²	21.4	8%	0.077	12%	0.121	C	C	.	.			trans	-68	127.4	179.8	172.9	0	0	0	0	112.2	F54 K256 D262 L263 K266 H361	F54-S260 WeakPolarHBondContact CZ-OG 3.41Å; K256-S260 WeakPolarHBondContact O-CB 3.12Å; K256-S260 PolarHBondContact O-N 3.44Å; K256-S260 VanDerWaalsContact O-N 3.15Å; S260-D262 VanDerWaalsContact C-N 3.34Å; S260-D262 PolarHBondContact OG-N 3.25Å; S260-L263 PolarHBondContact OG-N 3.01Å; S260-K266 PolarHBondContact O-NZ 2.89Å; S260-H361 PolarHBondContact O-NE2 2.8Å
261	T	85	Confident	89	Confident	48 Å²	48	21.4 Å²	21.4	29%	0.294	12%	0.121	S	C	.	.	S	Bend	trans	-77.3	-22.9	171.5	45.9	0	0	0	0	112.8	S259 L263 F264	S259-T261 PolarHBondContact O-N 2.97Å; T261-L263 VanDerWaalsContact C-N 3.34Å; T261-F264 WeakPolarHBondContact O-CE1 3.39Å
262	D	85.3	Confident	89.2	Confident	85 Å²	85	19 Å²	19	46%	0.455	11%	0.111	S	C	.	.	S	Bend	trans	-81.6	-20.2	-175.2	-53.5	-34.7	0	0	0	112.2	M50 S260	M50-D262 HydrophobicContact CE-CB 3.52Å; S260-D262 VanDerWaalsContact C-N 3.34Å; S260-D262 PolarHBondContact OG-N 3.25Å
263	L	88.8	Confident	89.1	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.106	C	C	.	.			trans	-103.5	99.2	176.7	-174.4	74.5	0	0	0	109.6	T47 M50 L257 S260 T261 F265 K266	T47-L263 HydrophobicContact CG2-CD1 3.4Å; T47-L263 VanDerWaalsContact CG2-CD1 3.4Å; M50-L263 HydrophobicContact CB-CD1 4.07Å; L257-L263 HydrophobicContact CB-CD2 4.29Å; L257-L263 HydrophobicContact CD2-CD2 3.63Å; S260-L263 PolarHBondContact OG-N 3.01Å; T261-L263 VanDerWaalsContact C-N 3.34Å; L263-F265 VanDerWaalsContact C-N 3.29Å; L263-F265 PolarHBondContact O-N 3.05Å; L263-K266 WeakPolarHBondContact O-CE 3.45Å; L263-K266 PolarHBondContact O-NZ 3.12Å
264	F	93	Very high	88.8	Confident	7 Å²	7	17.7 Å²	17.7	3%	0.031	11%	0.107	C	C	.	.			trans	-70.1	-27.6	179.6	-84.2	33	0	0	0	112.9	T261 K266 V312 C354 Y357 M358 L519 T523	T261-F264 WeakPolarHBondContact O-CE1 3.39Å; F264-K266 PolarHBondContact O-N 2.65Å; F264-V312 VanDerWaalsContact CB-O 3.31Å; F264-V312 WeakPolarHBondContact CB-O 2.96Å; F264-V312 HydrophobicContact CD2-CG2 4.02Å; F264-V312 HydrophobicContact CE2-CG2 3.98Å; F264-V312 WeakPolarHBondContact CG-O 3.16Å; F264-V312 HydrophobicContact CZ-CG2 4.47Å; F264-C354 HydrophobicContact CE2-CB 4.21Å; F264-C354 HydrophobicContact CZ-CB 4.25Å; F264-Y357 HydrophobicContact CD1-CD1 4.27Å; F264-Y357 AromaticContact CD1-CE1 3.76Å; F264-Y357 HydrophobicContact CD1-CE1 3.76Å; F264-Y357 HydrophobicContact CD2-CD1 4.17Å; F264-Y357 HydrophobicContact CD2-CE1 4.11Å; F264-Y357 AromaticContact CE1-CD1 3.94Å; F264-Y357 HydrophobicContact CE1-CD1 3.94Å; F264-Y357 AromaticContact CE1-CE1 3.84Å; F264-Y357 HydrophobicContact CE1-CE1 3.84Å; F264-Y357 AromaticContact CE2-CD1 3.83Å; F264-Y357 HydrophobicContact CE2-CD1 3.83Å; F264-Y357 HydrophobicContact CE2-CE1 4.18Å; F264-Y357 HydrophobicContact CE2-CG 4.5Å; F264-Y357 HydrophobicContact CG-CD1 4.37Å; F264-Y357 AromaticContact CG-CE1 3.89Å; F264-Y357 HydrophobicContact CG-CE1 3.89Å; F264-Y357 AromaticContact CZ-CD1 3.7Å; F264-Y357 HydrophobicContact CZ-CD1 3.7Å; F264-Y357 HydrophobicContact CZ-CE1 4.05Å; F264-Y357 PolarHBondContact O-OH 3.13Å; F264-M358 HydrophobicContact CE1-CE 4.35Å; F264-M358 HydrophobicContact CE1-CG 4.19Å; F264-M358 HydrophobicContact CZ-CE 3.95Å; F264-M358 HydrophobicContact CZ-CG 4.12Å; F264-L519 HydrophobicContact CE2-CD1 4.26Å; F264-T523 HydrophobicContact CB-CG2 4.02Å; F264-T523 HydrophobicContact CD2-CG2 4.1Å; F264-T523 HydrophobicContact CG-CG2 4.45Å; F264-T523 VanDerWaalsContact O-CB 3.22Å; F264-T523 WeakPolarHBondContact O-CB 3.16Å
265	F	94.9	Very high	88.5	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.106	C	C	.	.			trans	-67.4	126.2	177.1	176.6	-104.8	0	0	0	111.4	T47 L263 L267 Y294 C297 M298 H301 F302 C311 T523	T47-F265 HydrophobicContact CG2-CB 3.68Å; T47-F265 HydrophobicContact CG2-CG 4.37Å; L263-F265 VanDerWaalsContact C-N 3.29Å; L263-F265 PolarHBondContact O-N 3.05Å; F265-L267 HydrophobicContact CE1-CD2 3.94Å; F265-L267 HydrophobicContact CZ-CD2 3.64Å; F265-Y294 AromaticContact CD1-CE1 3.62Å; F265-Y294 HydrophobicContact CD1-CE1 3.62Å; F265-Y294 AromaticContact CD1-CZ 3.7Å; F265-Y294 WeakPolarHBondContact CD1-OH 3.28Å; F265-Y294 HydrophobicContact CE1-CD1 4.15Å; F265-Y294 AromaticContact CE1-CE1 3.55Å; F265-Y294 HydrophobicContact CE1-CE1 3.55Å; F265-Y294 HydrophobicContact CE1-CE2 4.3Å; F265-Y294 AromaticContact CE1-CZ 3.62Å; F265-Y294 PolarHBondContact O-OH 3.25Å; F265-C297 HydrophobicContact CZ-CB 4.25Å; F265-M298 HydrophobicContact CD1-CB 4.08Å; F265-M298 HydrophobicContact CD1-CE 3.89Å; F265-M298 HydrophobicContact CD1-CG 4.01Å; F265-M298 HydrophobicContact CD2-CG 4.47Å; F265-M298 HydrophobicContact CE1-CB 3.65Å; F265-M298 HydrophobicContact CE1-CE 4.29Å; F265-M298 HydrophobicContact CE1-CG 4.1Å; F265-M298 HydrophobicContact CE2-CB 4.34Å; F265-M298 HydrophobicContact CG-CG 4.21Å; F265-M298 HydrophobicContact CZ-CB 3.8Å; F265-M298 HydrophobicContact CZ-CG 4.37Å; F265-H301 HydrophobicContact CD2-CB 4.33Å; F265-H301 AromaticContact CD2-CD2 3.43Å; F265-H301 VanDerWaalsContact CD2-CD2 3.43Å; F265-H301 WeakPolarHBondContact CD2-CD2 3.28Å; F265-H301 HydrophobicContact CE2-CB 3.62Å; F265-H301 AromaticContact CE2-CD2 3.52Å; F265-H301 AromaticContact CE2-CG 3.69Å; F265-F302 HydrophobicContact CB-CE2 4.45Å; F265-F302 HydrophobicContact CD2-CE2 4.38Å; F265-C311 PolarHBondContact N-SG 3.37Å; F265-C311 VanDerWaalsContact N-SG 3.44Å; F265-T523 CarbonylContact C-O 3.58Å; F265-T523 WeakPolarHBondContact CA-O 3.29Å
266	K	93.5	Very high	88.2	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	155.8	178.3	-55.8	-61.7	170.3	-165.8	0	111.2	L257 A258 S260 L263 F264 H361 T523 Y524 Y525	L257-K266 PolarHBondContact O-NZ 2.9Å; A258-K266 WeakPolarHBondContact O-CD 3.38Å; A258-K266 VanDerWaalsContact O-CE 3.26Å; A258-K266 WeakPolarHBondContact O-CE 3.11Å; A258-K266 PolarHBondContact O-NZ 3.23Å; S260-K266 PolarHBondContact O-NZ 2.89Å; L263-K266 WeakPolarHBondContact O-CE 3.45Å; L263-K266 PolarHBondContact O-NZ 3.12Å; F264-K266 PolarHBondContact O-N 2.65Å; K266-H361 WeakPolarHBondContact CE-CE1 3.3Å; K266-T523 PolarHBondContact N-O 2.95Å; K266-Y524 HydrophobicContact CB-CD1 3.73Å; K266-Y524 HydrophobicContact CB-CD2 4.42Å; K266-Y524 HydrophobicContact CB-CE1 3.57Å; K266-Y524 HydrophobicContact CB-CE2 4.28Å; K266-Y524 HydrophobicContact CB-CG 4.16Å; K266-Y524 HydrophobicContact CG-CE1 4.2Å; K266-Y524 HydrophobicContact CG-CE2 4.31Å; K266-Y524 WeakPolarHBondContact O-CA 3.02Å; K266-Y525 PolarHBondContact O-N 3.37Å
267	L	92	Very high	87.6	Confident	3 Å²	3	19.9 Å²	19.9	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.6	169.3	-60	-176.8	0	0	0	110.2	F265 T271 I272 L275 Y294 C297 Y391 Y525	F265-L267 HydrophobicContact CE1-CD2 3.94Å; F265-L267 HydrophobicContact CZ-CD2 3.64Å; L267-T271 HydrophobicContact CB-CG2 4.32Å; L267-T271 HydrophobicContact CD1-CG2 4.26Å; L267-T271 HydrophobicContact CD2-CG2 4.11Å; L267-T271 HydrophobicContact CG-CG2 4.47Å; L267-I272 HydrophobicContact CB-CD1 4.05Å; L267-I272 HydrophobicContact CB-CG1 3.56Å; L267-I272 HydrophobicContact CD1-CG1 4.2Å; L267-L275 HydrophobicContact CD1-CD1 3.69Å; L267-Y294 HydrophobicContact CD1-CD2 3.44Å; L267-Y294 VanDerWaalsContact CD1-CD2 3.44Å; L267-Y294 HydrophobicContact CD1-CE2 3.67Å; L267-Y294 HydrophobicContact CD1-CG 4.45Å; L267-Y294 HydrophobicContact CD2-CE2 4.46Å; L267-Y294 HydrophobicContact CG-CD2 3.94Å; L267-Y294 HydrophobicContact CG-CE2 3.66Å; L267-C297 HydrophobicContact CD2-CB 3.57Å; L267-Y391 PolarHBondContact O-OH 3.31Å; L267-Y525 HydrophobicContact CD2-CD1 4.15Å
268	S	89.4	Confident	86.6	Confident	3 Å²	3	25.1 Å²	25.1	2%	0.021	14%	0.142	C	C	.	.			trans	-65.1	155.6	169.8	77.1	0	0	0	0	111.1	A270 T271 I272 Y525 D526	S268-A270 PolarHBondContact O-N 3.04Å; S268-T271 WeakPolarHBondContact O-CA 3.41Å; S268-T271 WeakPolarHBondContact O-CB 3.25Å; S268-T271 PolarHBondContact O-N 3.5Å; S268-T271 PolarHBondContact OG-N 3Å; S268-T271 PolarHBondContact OG-OG1 2.97Å; S268-T271 VanDerWaalsContact OG-OG1 3.12Å; S268-I272 PolarHBondContact O-N 3.38Å; S268-Y525 WeakPolarHBondContact CB-O 3.18Å; S268-Y525 PolarHBondContact N-O 3.3Å; S268-Y525 PolarHBondContact OG-O 3.48Å; S268-D526 WeakPolarHBondContact CB-OD1 3.4Å; S268-D526 PolarHBondContact OG-OD1 2.62Å
269	A	85.4	Confident	85.5	Confident	11 Å²	11	25.2 Å²	25.2	9%	0.091	14%	0.143	C	C	.	.	H	α-helix	trans	-54.7	-37.9	175.4	0	0	0	0	0	113.5	T271 I272 S273 C392 Q395	A269-T271 VanDerWaalsContact C-N 3.3Å; A269-T271 PolarHBondContact O-N 2.82Å; A269-I272 PolarHBondContact O-N 3.44Å; A269-S273 WeakPolarHBondContact O-CB 3.27Å; A269-S273 PolarHBondContact O-N 3.24Å; A269-S273 PolarHBondContact O-OG 3.25Å; A269-C392 HydrophobicContact CB-CB 3.99Å; A269-C392 WeakPolarHBondContact CB-O 3.08Å; A269-Q395 HydrophobicContact CB-CB 3.74Å; A269-Q395 HydrophobicContact CB-CG 4.34Å
270	A	84.4	Confident	84.4	Confident	42 Å²	42	24.4 Å²	24.4	35%	0.347	14%	0.137	S	C	.	.	H	α-helix	trans	-63.6	-39.6	176.9	0	0	0	0	0	111.4	S268 Y274	S268-A270 PolarHBondContact O-N 3.04Å; A270-Y274 VanDerWaalsContact O-CB 3.25Å; A270-Y274 WeakPolarHBondContact O-CB 3.49Å; A270-Y274 PolarHBondContact O-N 3.4Å
271	T	88.8	Confident	83.2	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.2	-48.9	176.2	-56.6	0	0	0	0	111.4	L267 S268 A269 S273 Y274 L275 Y525 L531	L267-T271 HydrophobicContact CB-CG2 4.32Å; L267-T271 HydrophobicContact CD1-CG2 4.26Å; L267-T271 HydrophobicContact CD2-CG2 4.11Å; L267-T271 HydrophobicContact CG-CG2 4.47Å; S268-T271 WeakPolarHBondContact O-CA 3.41Å; S268-T271 WeakPolarHBondContact O-CB 3.25Å; S268-T271 PolarHBondContact O-N 3.5Å; S268-T271 PolarHBondContact OG-N 3Å; S268-T271 PolarHBondContact OG-OG1 2.97Å; S268-T271 VanDerWaalsContact OG-OG1 3.12Å; A269-T271 VanDerWaalsContact C-N 3.3Å; A269-T271 PolarHBondContact O-N 2.82Å; T271-S273 PolarHBondContact O-N 3.09Å; T271-Y274 WeakPolarHBondContact O-CB 3.36Å; T271-Y274 PolarHBondContact O-N 3.49Å; T271-L275 HydrophobicContact CG2-CD1 4.4Å; T271-L275 HydrophobicContact CG2-CG 4.4Å; T271-L275 WeakPolarHBondContact O-CG 3.48Å; T271-L275 PolarHBondContact O-N 3.25Å; T271-Y525 HydrophobicContact CG2-CD1 4.09Å; T271-Y525 HydrophobicContact CG2-CE1 4.32Å; T271-Y525 PolarHBondContact OG1-O 2.85Å; T271-L531 HydrophobicContact CG2-CD1 3.57Å
272	I	87.9	Confident	82.1	Confident	5 Å²	5	31.4 Å²	31.4	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-59.2	-47.6	178.8	-63.3	-159.7	0	0	0	111	L267 S268 A269 Y274 L275 F276 Y391	L267-I272 HydrophobicContact CB-CD1 4.05Å; L267-I272 HydrophobicContact CB-CG1 3.56Å; L267-I272 HydrophobicContact CD1-CG1 4.2Å; S268-I272 PolarHBondContact O-N 3.38Å; A269-I272 PolarHBondContact O-N 3.44Å; I272-Y274 VanDerWaalsContact C-N 3.29Å; I272-Y274 PolarHBondContact O-N 3.09Å; I272-L275 PolarHBondContact O-N 3.16Å; I272-F276 HydrophobicContact CG2-CD2 3.75Å; I272-F276 HydrophobicContact CG2-CE2 4.02Å; I272-F276 WeakPolarHBondContact O-CD2 3.4Å; I272-F276 PolarHBondContact O-N 3.01Å; I272-Y391 HydrophobicContact CD1-CD1 4.07Å; I272-Y391 HydrophobicContact CD1-CE1 3.37Å; I272-Y391 HydrophobicContact CG1-CE1 4.26Å
273	S	83.5	Confident	81	Confident	31 Å²	31	32.1 Å²	32.1	22%	0.217	18%	0.18	C	C	.	.	H	α-helix	trans	-60.1	-42.8	178	-49.5	0	0	0	0	110.5	A269 T271 L275 F276 D277 C392	A269-S273 WeakPolarHBondContact O-CB 3.27Å; A269-S273 PolarHBondContact O-N 3.24Å; A269-S273 PolarHBondContact O-OG 3.25Å; T271-S273 PolarHBondContact O-N 3.09Å; S273-L275 PolarHBondContact O-N 3.2Å; S273-F276 PolarHBondContact O-N 3.05Å; S273-D277 WeakPolarHBondContact O-CB 3.31Å; S273-D277 PolarHBondContact O-N 2.6Å; S273-C392 PolarHBondContact OG-SG 2.98Å; S273-C392 VanDerWaalsContact OG-SG 3.33Å
274	Y	83.7	Confident	79.9	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-60.8	-43.2	176.2	178.1	-100.3	0	0	0	112.8	A270 T271 I272 K278 C279 R528 L531 D532 L535	A270-Y274 VanDerWaalsContact O-CB 3.25Å; A270-Y274 WeakPolarHBondContact O-CB 3.49Å; A270-Y274 PolarHBondContact O-N 3.4Å; T271-Y274 WeakPolarHBondContact O-CB 3.36Å; T271-Y274 PolarHBondContact O-N 3.49Å; I272-Y274 VanDerWaalsContact C-N 3.29Å; I272-Y274 PolarHBondContact O-N 3.09Å; Y274-K278 HydrophobicContact CD2-CB 3.58Å; Y274-K278 HydrophobicContact CD2-CG 3.77Å; Y274-K278 HydrophobicContact CE2-CB 3.5Å; Y274-K278 HydrophobicContact CE2-CG 3.91Å; Y274-K278 HydrophobicContact CG-CB 4.34Å; Y274-K278 WeakPolarHBondContact O-CA 3.24Å; Y274-K278 VanDerWaalsContact O-CB 3.32Å; Y274-K278 WeakPolarHBondContact O-CB 3.4Å; Y274-K278 PolarHBondContact O-N 2.84Å; Y274-C279 WeakPolarHBondContact CE1-SG 3.31Å; Y274-C279 PolarHBondContact O-N 3.27Å; Y274-C279 VanDerWaalsContact O-N 3.15Å; Y274-R528 HydrophobicContact CD2-CG 4.26Å; Y274-R528 HydrophobicContact CG-CG 4.07Å; Y274-L531 HydrophobicContact CD1-CB 4.29Å; Y274-L531 HydrophobicContact CD1-CD1 4.31Å; Y274-L531 HydrophobicContact CE1-CB 3.93Å; Y274-D532 HydrophobicContact CE2-CB 4.3Å; Y274-D532 WeakPolarHBondContact CE2-OD1 3.47Å; Y274-D532 WeakPolarHBondContact OH-CA 3.25Å; Y274-D532 PolarHBondContact OH-OD1 3.45Å; Y274-L535 HydrophobicContact CE1-CD1 4.16Å
275	L	84.3	Confident	79	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-46.1	177.8	-64.7	-177.9	0	0	0	112	L267 T271 I272 S273 C279 L285 F290 L293 L531	L267-L275 HydrophobicContact CD1-CD1 3.69Å; T271-L275 HydrophobicContact CG2-CD1 4.4Å; T271-L275 HydrophobicContact CG2-CG 4.4Å; T271-L275 WeakPolarHBondContact O-CG 3.48Å; T271-L275 PolarHBondContact O-N 3.25Å; I272-L275 PolarHBondContact O-N 3.16Å; S273-L275 PolarHBondContact O-N 3.2Å; L275-C279 WeakPolarHBondContact O-CB 3.24Å; L275-L285 HydrophobicContact CB-CD2 4.36Å; L275-F290 HydrophobicContact CD1-CE2 4.3Å; L275-L293 HydrophobicContact CD1-CB 4.46Å; L275-L293 HydrophobicContact CD2-CB 3.93Å; L275-L293 HydrophobicContact CD2-CD1 4.05Å; L275-L293 HydrophobicContact CD2-CG 4.42Å; L275-L531 HydrophobicContact CD2-CD1 4.45Å
276	F	81.3	Confident	77.9	Confident	26 Å²	26	35.7 Å²	35.7	11%	0.114	20%	0.204	C	C	.	.	H	α-helix	trans	-77.8	-34	-178.1	-81.3	-80.6	0	0	0	113.8	A250 K251 I272 S273 S280 L285 F290 N388	A250-F276 HydrophobicContact CB-CE1 4.07Å; A250-F276 HydrophobicContact CB-CZ 4.25Å; K251-F276 HydrophobicContact CG-CE1 3.91Å; K251-F276 HydrophobicContact CG-CZ 4.26Å; I272-F276 HydrophobicContact CG2-CD2 3.75Å; I272-F276 HydrophobicContact CG2-CE2 4.02Å; I272-F276 WeakPolarHBondContact O-CD2 3.4Å; I272-F276 PolarHBondContact O-N 3.01Å; S273-F276 PolarHBondContact O-N 3.05Å; F276-S280 VanDerWaalsContact O-CB 3.27Å; F276-S280 WeakPolarHBondContact O-CB 3.49Å; F276-S280 PolarHBondContact O-OG 3.13Å; F276-L285 HydrophobicContact CD1-CB 4.17Å; F276-L285 HydrophobicContact CD1-CD2 4.32Å; F276-L285 HydrophobicContact CE1-CB 4.39Å; F276-L285 HydrophobicContact CE1-CD2 4.37Å; F276-F290 AromaticContact CE2-CD2 4Å; F276-F290 HydrophobicContact CE2-CD2 4Å; F276-F290 AromaticContact CE2-CE2 3.77Å; F276-F290 HydrophobicContact CE2-CE2 3.77Å; F276-F290 HydrophobicContact CZ-CD2 4.04Å; F276-F290 HydrophobicContact CZ-CE2 4.14Å; F276-N388 WeakPolarHBondContact CE2-ND2 3.32Å
277	D	78.5	Confident	77.1	Confident	114 Å²	114	36.6 Å²	36.6	61%	0.61	21%	0.21	S	C	*	.	H	α-helix	trans	-93.6	-39.3	-173.6	-60.1	-21.8	0	0	0	113.1	S273	S273-D277 WeakPolarHBondContact O-CB 3.31Å; S273-D277 PolarHBondContact O-N 2.6Å
278	K	70.7	Confident	76.2	Confident	110 Å²	110	38.8 Å²	38.8	48%	0.478	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-54.1	-170.8	-76.5	-77.7	-173.8	173.7	0	112.4	Y274 S280 R281	Y274-K278 HydrophobicContact CD2-CB 3.58Å; Y274-K278 HydrophobicContact CD2-CG 3.77Å; Y274-K278 HydrophobicContact CE2-CB 3.5Å; Y274-K278 HydrophobicContact CE2-CG 3.91Å; Y274-K278 HydrophobicContact CG-CB 4.34Å; Y274-K278 WeakPolarHBondContact O-CA 3.24Å; Y274-K278 VanDerWaalsContact O-CB 3.32Å; Y274-K278 WeakPolarHBondContact O-CB 3.4Å; Y274-K278 PolarHBondContact O-N 2.84Å; K278-S280 PolarHBondContact O-N 2.73Å; K278-R281 PolarHBondContact O-N 2.88Å
279	C	68.2	Low	75.5	Confident	7 Å²	7	39.7 Å²	39.7	5%	0.047	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.7	-178.9	-60.3	0	0	0	0	112.6	F7 Y274 L275 R281 L293	F7-C279 WeakPolarHBondContact CZ-O 3.39Å; Y274-C279 WeakPolarHBondContact CE1-SG 3.31Å; Y274-C279 PolarHBondContact O-N 3.27Å; Y274-C279 VanDerWaalsContact O-N 3.15Å; L275-C279 WeakPolarHBondContact O-CB 3.24Å; C279-R281 VanDerWaalsContact C-N 3.3Å; C279-L293 HydrophobicContact CB-CD1 4.04Å
280	S	65	Low	75.4	Confident	5 Å²	5	39.1 Å²	39.1	4%	0.035	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.9	178.9	79.7	0	0	0	0	112.9	F276 K278 G282 Q283	F276-S280 VanDerWaalsContact O-CB 3.27Å; F276-S280 WeakPolarHBondContact O-CB 3.49Å; F276-S280 PolarHBondContact O-OG 3.13Å; K278-S280 PolarHBondContact O-N 2.73Å; S280-G282 PolarHBondContact O-N 2.96Å; S280-Q283 WeakPolarHBondContact CB-O 3.01Å; S280-Q283 WeakPolarHBondContact O-CA 3.37Å; S280-Q283 WeakPolarHBondContact O-CB 3.35Å; S280-Q283 PolarHBondContact O-N 3.38Å; S280-Q283 PolarHBondContact OG-O 3.17Å
281	R	64.1	Low	75.4	Confident	130 Å²	130	37.6 Å²	37.6	49%	0.491	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	38	-177.9	-62.5	-169.3	-175.6	163.6	4.8	113.4	F7 K278 C279 Q283	F7-R281 HydrophobicContact CE2-CG 4.27Å; K278-R281 PolarHBondContact O-N 2.88Å; C279-R281 VanDerWaalsContact C-N 3.3Å; R281-Q283 VanDerWaalsContact C-N 3.27Å; R281-Q283 PolarHBondContact O-N 3.07Å
282	G	60.7	Low	74.9	Confident	76 Å²	76	44.6 Å²	44.6	78%	0.784	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	1.8	-177.8	0	0	0	0	0	114.9	S280	S280-G282 PolarHBondContact O-N 2.96Å
283	Q	63.6	Low	74.7	Confident	100 Å²	100	45.4 Å²	45.4	47%	0.467	24%	0.241	S	C	.	.	S	Bend	trans	-96.3	159.2	167.8	-62.9	-171.4	-19.4	0	0	110	S280 R281	S280-Q283 WeakPolarHBondContact CB-O 3.01Å; S280-Q283 WeakPolarHBondContact O-CA 3.37Å; S280-Q283 WeakPolarHBondContact O-CB 3.35Å; S280-Q283 PolarHBondContact O-N 3.38Å; S280-Q283 PolarHBondContact OG-O 3.17Å; R281-Q283 VanDerWaalsContact C-N 3.27Å; R281-Q283 PolarHBondContact O-N 3.07Å
284	P	65.8	Low	75	Confident	76 Å²	76	44.2 Å²	44.2	49%	0.494	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-61.3	137	171	-21.7	33.5	0	0	0	111.8	H247	H247-P284 HydrophobicContact CB-CB 3.73Å
285	L	73	Confident	75.3	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.021	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-78	123.6	176	-173.9	69.4	0	0	0	110.4	A250 L275 F276 D289 F290 L293	A250-L285 VanDerWaalsContact CB-O 3.28Å; A250-L285 WeakPolarHBondContact CB-O 3.36Å; L275-L285 HydrophobicContact CB-CD2 4.36Å; F276-L285 HydrophobicContact CD1-CB 4.17Å; F276-L285 HydrophobicContact CD1-CD2 4.32Å; F276-L285 HydrophobicContact CE1-CB 4.39Å; F276-L285 HydrophobicContact CE1-CD2 4.37Å; L285-D289 HydrophobicContact CD1-CB 4.01Å; L285-F290 HydrophobicContact CD2-CB 3.74Å; L285-F290 HydrophobicContact CD2-CD2 3.76Å; L285-F290 HydrophobicContact CD2-CG 4.24Å; L285-F290 HydrophobicContact CG-CB 4.11Å; L285-L293 HydrophobicContact CD1-CD1 4.09Å
286	S	71.2	Confident	75.2	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.014	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-69	154.8	177.7	75.2	0	0	0	0	111.9	D246 T288 D289 F290	D246-S286 WeakPolarHBondContact OD2-CA 3.21Å; D246-S286 WeakPolarHBondContact OD2-CB 3.41Å; S286-T288 PolarHBondContact O-N 3.41Å; S286-D289 PolarHBondContact O-N 3.41Å; S286-D289 WeakPolarHBondContact OG-CB 3.33Å; S286-D289 PolarHBondContact OG-N 2.9Å; S286-D289 PolarHBondContact OG-OD2 3.24Å; S286-F290 VanDerWaalsContact O-CB 3.28Å; S286-F290 WeakPolarHBondContact O-CB 3.46Å; S286-F290 PolarHBondContact O-N 2.89Å
287	V	77	Confident	75.6	Confident	20 Å²	20	44.7 Å²	44.7	12%	0.121	23%	0.234	C	C	.	.	H	α-helix	trans	-62.9	-36.7	176.5	76.4	0	0	0	0	111.2	L58 L100 D246 A249 A250 L253 F290 S291	L58-V287 HydrophobicContact CD2-CG2 3.84Å; L100-V287 HydrophobicContact CD2-CG1 4.43Å; D246-V287 VanDerWaalsContact OD1-CB 3.29Å; D246-V287 WeakPolarHBondContact OD1-CB 3.29Å; D246-V287 WeakPolarHBondContact OD1-CG1 3.5Å; D246-V287 PolarHBondContact OD1-N 2.77Å; D246-V287 PolarHBondContact OD2-N 3.04Å; A249-V287 HydrophobicContact CB-CB 3.87Å; A249-V287 HydrophobicContact CB-CG1 4.39Å; A249-V287 HydrophobicContact CB-CG2 4.12Å; A250-V287 HydrophobicContact CB-CB 4.47Å; L253-V287 HydrophobicContact CB-CG2 4.19Å; L253-V287 HydrophobicContact CD2-CG2 3.58Å; V287-F290 PolarHBondContact O-N 3.1Å; V287-S291 VanDerWaalsContact O-CB 3.26Å; V287-S291 WeakPolarHBondContact O-CB 3.42Å; V287-S291 PolarHBondContact O-N 3.09Å; V287-S291 PolarHBondContact O-OG 3.29Å
288	T	73	Confident	76.2	Confident	48 Å²	48	39.2 Å²	39.2	29%	0.294	21%	0.205	S	C	.	.	H	α-helix	trans	-69	-43.6	-178.4	-63.4	0	0	0	0	111	S286 S291 R292	S286-T288 PolarHBondContact O-N 3.41Å; T288-S291 PolarHBondContact O-N 3.48Å; T288-R292 VanDerWaalsContact O-CG 3.27Å; T288-R292 WeakPolarHBondContact O-CG 3.23Å; T288-R292 PolarHBondContact O-N 3.4Å
289	D	75	Confident	77	Confident	22 Å²	22	34.2 Å²	34.2	12%	0.118	18%	0.184	C	C	.	.	H	α-helix	trans	-70	-40.9	177	-64.5	-32.7	0	0	0	110.7	L285 S286 S291 R292 L293	L285-D289 HydrophobicContact CD1-CB 4.01Å; S286-D289 PolarHBondContact O-N 3.41Å; S286-D289 WeakPolarHBondContact OG-CB 3.33Å; S286-D289 PolarHBondContact OG-N 2.9Å; S286-D289 PolarHBondContact OG-OD2 3.24Å; D289-S291 PolarHBondContact O-N 3.3Å; D289-R292 PolarHBondContact O-N 3.18Å; D289-R292 IonicContact OD1-NH1 2.62Å; D289-R292 PolarHBondContact OD1-NH1 2.86Å; D289-R292 VanDerWaalsContact OD1-NH1 3.16Å; D289-L293 WeakPolarHBondContact O-CB 3.36Å; D289-L293 VanDerWaalsContact O-CG 3.23Å; D289-L293 WeakPolarHBondContact O-CG 3.49Å; D289-L293 PolarHBondContact O-N 3.45Å
290	F	84.2	Confident	77.7	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-55.7	-49.6	171.9	176.5	-100.9	0	0	0	111.4	A250 L253 L257 L275 F276 L285 S286 V287 R292 L293 Y294	A250-F290 HydrophobicContact CB-CB 4.12Å; A250-F290 HydrophobicContact CB-CG 4.48Å; L253-F290 HydrophobicContact CB-CD1 4.42Å; L253-F290 HydrophobicContact CB-CE1 4.32Å; L253-F290 HydrophobicContact CD2-CD1 4.09Å; L253-F290 HydrophobicContact CD2-CE1 4.34Å; L253-F290 HydrophobicContact CG-CD1 4.34Å; L253-F290 HydrophobicContact CG-CE1 4.16Å; L257-F290 HydrophobicContact CD1-CE1 4.03Å; L275-F290 HydrophobicContact CD1-CE2 4.3Å; F276-F290 AromaticContact CE2-CD2 4Å; F276-F290 HydrophobicContact CE2-CD2 4Å; F276-F290 AromaticContact CE2-CE2 3.77Å; F276-F290 HydrophobicContact CE2-CE2 3.77Å; F276-F290 HydrophobicContact CZ-CD2 4.04Å; F276-F290 HydrophobicContact CZ-CE2 4.14Å; L285-F290 HydrophobicContact CD2-CB 3.74Å; L285-F290 HydrophobicContact CD2-CD2 3.76Å; L285-F290 HydrophobicContact CD2-CG 4.24Å; L285-F290 HydrophobicContact CG-CB 4.11Å; S286-F290 VanDerWaalsContact O-CB 3.28Å; S286-F290 WeakPolarHBondContact O-CB 3.46Å; S286-F290 PolarHBondContact O-N 2.89Å; V287-F290 PolarHBondContact O-N 3.1Å; F290-R292 VanDerWaalsContact C-N 3.35Å; F290-R292 PolarHBondContact O-N 2.96Å; F290-L293 PolarHBondContact O-N 2.8Å; F290-Y294 HydrophobicContact CE1-CD2 4.16Å; F290-Y294 AromaticContact CZ-CD2 3.79Å; F290-Y294 HydrophobicContact CZ-CD2 3.79Å; F290-Y294 HydrophobicContact CZ-CE2 4.49Å; F290-Y294 VanDerWaalsContact O-CB 3.25Å; F290-Y294 WeakPolarHBondContact O-CB 2.94Å; F290-Y294 PolarHBondContact O-N 3.38Å
291	S	84.7	Confident	78.8	Confident	10 Å²	10	34.5 Å²	34.5	7%	0.07	18%	0.184	C	C	.	.	H	α-helix	trans	-56.7	-44.1	176.2	-84	0	0	0	0	113.3	E55 L253 V287 T288 D289 Y294 L295	E55-S291 WeakPolarHBondContact OE1-CB 3.3Å; E55-S291 PolarHBondContact OE1-OG 2.89Å; L253-S291 WeakPolarHBondContact CD2-OG 3.26Å; V287-S291 VanDerWaalsContact O-CB 3.26Å; V287-S291 WeakPolarHBondContact O-CB 3.42Å; V287-S291 PolarHBondContact O-N 3.09Å; V287-S291 PolarHBondContact O-OG 3.29Å; T288-S291 PolarHBondContact O-N 3.48Å; D289-S291 PolarHBondContact O-N 3.3Å; S291-Y294 PolarHBondContact O-N 3.45Å; S291-L295 WeakPolarHBondContact O-CB 3.46Å; S291-L295 PolarHBondContact O-N 2.79Å
292	R	77.9	Confident	80	Confident	146 Å²	146	28.3 Å²	28.3	55%	0.551	16%	0.161	S	C	*	.	H	α-helix	trans	-63.3	-46.2	176.6	-73.3	168.2	179.1	161.7	-2	111.5	T288 D289 F290 L295 Y296	T288-R292 VanDerWaalsContact O-CG 3.27Å; T288-R292 WeakPolarHBondContact O-CG 3.23Å; T288-R292 PolarHBondContact O-N 3.4Å; D289-R292 PolarHBondContact O-N 3.18Å; D289-R292 IonicContact OD1-NH1 2.62Å; D289-R292 PolarHBondContact OD1-NH1 2.86Å; D289-R292 VanDerWaalsContact OD1-NH1 3.16Å; F290-R292 VanDerWaalsContact C-N 3.35Å; F290-R292 PolarHBondContact O-N 2.96Å; R292-L295 PolarHBondContact O-N 2.8Å; R292-Y296 WeakPolarHBondContact O-CB 3.47Å; R292-Y296 PolarHBondContact O-N 3.06Å
293	L	83.6	Confident	80.9	Confident	22 Å²	22	28.6 Å²	28.6	12%	0.115	14%	0.138	C	C	.	.	H	α-helix	trans	-66.6	-39.2	178.4	-67.4	171.6	0	0	0	111.4	L275 C279 L285 D289 F290 Y296 C297 L535	L275-L293 HydrophobicContact CD1-CB 4.46Å; L275-L293 HydrophobicContact CD2-CB 3.93Å; L275-L293 HydrophobicContact CD2-CD1 4.05Å; L275-L293 HydrophobicContact CD2-CG 4.42Å; C279-L293 HydrophobicContact CB-CD1 4.04Å; L285-L293 HydrophobicContact CD1-CD1 4.09Å; D289-L293 WeakPolarHBondContact O-CB 3.36Å; D289-L293 VanDerWaalsContact O-CG 3.23Å; D289-L293 WeakPolarHBondContact O-CG 3.49Å; D289-L293 PolarHBondContact O-N 3.45Å; F290-L293 PolarHBondContact O-N 2.8Å; L293-Y296 WeakPolarHBondContact O-CB 3.3Å; L293-Y296 PolarHBondContact O-N 3.26Å; L293-C297 PolarHBondContact O-N 3.47Å; L293-C297 PolarHBondContact O-SG 3.29Å; L293-L535 HydrophobicContact CD2-CD1 3.62Å; L293-L535 HydrophobicContact CD2-CD2 3.51Å; L293-L535 HydrophobicContact CD2-CG 4.24Å
294	Y	89.9	Confident	81.5	Confident	6 Å²	6	27.3 Å²	27.3	2%	0.024	14%	0.139	C	C	.	.	H	α-helix	trans	-62.9	-46.4	175.3	-167.7	-83.9	0	0	0	111.3	L51 L257 F265 L267 F290 S291 Y296 C297 M298	L51-Y294 HydrophobicContact CD1-CD1 4.06Å; L51-Y294 HydrophobicContact CD1-CE1 4.36Å; L51-Y294 HydrophobicContact CD2-CD1 4.02Å; L257-Y294 HydrophobicContact CB-CE2 4.33Å; L257-Y294 HydrophobicContact CD1-CD1 4.21Å; L257-Y294 HydrophobicContact CD1-CD2 4.01Å; L257-Y294 HydrophobicContact CD1-CE1 4.03Å; L257-Y294 HydrophobicContact CD1-CE2 3.84Å; L257-Y294 HydrophobicContact CD1-CG 4.21Å; F265-Y294 AromaticContact CD1-CE1 3.62Å; F265-Y294 HydrophobicContact CD1-CE1 3.62Å; F265-Y294 AromaticContact CD1-CZ 3.7Å; F265-Y294 WeakPolarHBondContact CD1-OH 3.28Å; F265-Y294 HydrophobicContact CE1-CD1 4.15Å; F265-Y294 AromaticContact CE1-CE1 3.55Å; F265-Y294 HydrophobicContact CE1-CE1 3.55Å; F265-Y294 HydrophobicContact CE1-CE2 4.3Å; F265-Y294 AromaticContact CE1-CZ 3.62Å; F265-Y294 PolarHBondContact O-OH 3.25Å; L267-Y294 HydrophobicContact CD1-CD2 3.44Å; L267-Y294 VanDerWaalsContact CD1-CD2 3.44Å; L267-Y294 HydrophobicContact CD1-CE2 3.67Å; L267-Y294 HydrophobicContact CD1-CG 4.45Å; L267-Y294 HydrophobicContact CD2-CE2 4.46Å; L267-Y294 HydrophobicContact CG-CD2 3.94Å; L267-Y294 HydrophobicContact CG-CE2 3.66Å; F290-Y294 HydrophobicContact CE1-CD2 4.16Å; F290-Y294 AromaticContact CZ-CD2 3.79Å; F290-Y294 HydrophobicContact CZ-CD2 3.79Å; F290-Y294 HydrophobicContact CZ-CE2 4.49Å; F290-Y294 VanDerWaalsContact O-CB 3.25Å; F290-Y294 WeakPolarHBondContact O-CB 2.94Å; F290-Y294 PolarHBondContact O-N 3.38Å; S291-Y294 PolarHBondContact O-N 3.45Å; Y294-Y296 VanDerWaalsContact C-N 3.27Å; Y294-Y296 PolarHBondContact O-N 3.25Å; Y294-C297 PolarHBondContact O-N 3.4Å; Y294-M298 HydrophobicContact CD1-CE 3.99Å; Y294-M298 HydrophobicContact CE1-CE 3.69Å; Y294-M298 WeakPolarHBondContact O-CB 3.47Å; Y294-M298 PolarHBondContact O-N 2.87Å
295	L	88.8	Confident	82.1	Confident	23 Å²	23	26 Å²	26	12%	0.12	13%	0.128	C	C	.	.	H	α-helix	trans	-60.8	-37.6	174.5	179.4	63.2	0	0	0	111.7	I14 V48 L51 S291 R292 M298 L299	I14-L295 HydrophobicContact CG2-CD2 3.95Å; I14-L295 HydrophobicContact CG2-CG 4.45Å; V48-L295 HydrophobicContact CB-CD1 4.47Å; V48-L295 HydrophobicContact CG1-CD1 4.12Å; V48-L295 HydrophobicContact CG2-CD1 3.56Å; L51-L295 HydrophobicContact CD2-CB 4.3Å; S291-L295 WeakPolarHBondContact O-CB 3.46Å; S291-L295 PolarHBondContact O-N 2.79Å; R292-L295 PolarHBondContact O-N 2.8Å; L295-M298 WeakPolarHBondContact O-CB 3.23Å; L295-M298 PolarHBondContact O-N 2.88Å; L295-L299 WeakPolarHBondContact O-CB 3.18Å; L295-L299 PolarHBondContact O-N 3.41Å
296	Y	83.7	Confident	82.4	Confident	16 Å²	16	30.5 Å²	30.5	6%	0.063	15%	0.149	C	C	.	.	H	α-helix	trans	-64.7	-48.6	175.1	-178.3	-98.2	0	0	0	111.9	F10 I14 R292 L293 Y294 M298 L299 E300 L531 I534	F10-Y296 HydrophobicContact CE1-CD2 4.41Å; F10-Y296 HydrophobicContact CE1-CE2 4.06Å; F10-Y296 HydrophobicContact CZ-CE2 4Å; I14-Y296 HydrophobicContact CD1-CD2 4.21Å; I14-Y296 HydrophobicContact CG1-CD2 4.43Å; R292-Y296 WeakPolarHBondContact O-CB 3.47Å; R292-Y296 PolarHBondContact O-N 3.06Å; L293-Y296 WeakPolarHBondContact O-CB 3.3Å; L293-Y296 PolarHBondContact O-N 3.26Å; Y294-Y296 VanDerWaalsContact C-N 3.27Å; Y294-Y296 PolarHBondContact O-N 3.25Å; Y296-M298 VanDerWaalsContact C-N 3.26Å; Y296-M298 PolarHBondContact O-N 2.79Å; Y296-L299 WeakPolarHBondContact O-CB 3.2Å; Y296-L299 PolarHBondContact O-N 3.15Å; Y296-L299 VanDerWaalsContact O-N 3.14Å; Y296-E300 HydrophobicContact CD1-CG 4.41Å; Y296-E300 HydrophobicContact CE1-CG 3.76Å; Y296-E300 HydrophobicContact CE2-CG 4.13Å; Y296-E300 PolarHBondContact O-N 2.85Å; Y296-L531 HydrophobicContact CD1-CD2 3.64Å; Y296-L531 HydrophobicContact CE1-CD2 3.67Å; Y296-I534 HydrophobicContact CE1-CD1 4.49Å; Y296-I534 HydrophobicContact CE1-CG2 4.35Å; Y296-I534 WeakPolarHBondContact OH-CD1 3.35Å
297	C	89.5	Confident	83.1	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.007	16%	0.156	C	C	.	.	H	α-helix	trans	-56.8	-42.8	174.8	-62.6	0	0	0	0	111.3	F265 L267 L293 Y294 E300 H301 Y525	F265-C297 HydrophobicContact CZ-CB 4.25Å; L267-C297 HydrophobicContact CD2-CB 3.57Å; L293-C297 PolarHBondContact O-N 3.47Å; L293-C297 PolarHBondContact O-SG 3.29Å; Y294-C297 PolarHBondContact O-N 3.4Å; C297-E300 PolarHBondContact O-N 3.31Å; C297-H301 WeakPolarHBondContact O-CB 3.27Å; C297-H301 PolarHBondContact O-N 3.18Å; C297-Y525 HydrophobicContact CB-CD1 3.82Å; C297-Y525 HydrophobicContact CB-CE1 3.93Å; C297-Y525 HydrophobicContact CB-CG 4.39Å
298	M	91	Very high	83.7	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.9	-47.6	176.1	-172.9	-169.3	-60.9	0	0	111.5	F44 T47 V48 L51 F265 Y294 L295 Y296 E300 H301 F302	F44-M298 HydrophobicContact CD2-CG 4.04Å; F44-M298 HydrophobicContact CD2-SD 4.19Å; F44-M298 HydrophobicContact CE2-CG 4.01Å; F44-M298 HydrophobicContact CE2-SD 4.08Å; T47-M298 HydrophobicContact CG2-CE 3.54Å; T47-M298 HydrophobicContact CG2-CG 4.14Å; T47-M298 HydrophobicContact CG2-SD 3.47Å; T47-M298 WeakPolarHBondContact CG2-SD 3.34Å; V48-M298 HydrophobicContact CG2-SD 3.54Å; V48-M298 VanDerWaalsContact CG2-SD 3.54Å; L51-M298 HydrophobicContact CB-CE 4.33Å; L51-M298 HydrophobicContact CD2-CE 4.14Å; F265-M298 HydrophobicContact CD1-CB 4.08Å; F265-M298 HydrophobicContact CD1-CE 3.89Å; F265-M298 HydrophobicContact CD1-CG 4.01Å; F265-M298 HydrophobicContact CD2-CG 4.47Å; F265-M298 HydrophobicContact CE1-CB 3.65Å; F265-M298 HydrophobicContact CE1-CE 4.29Å; F265-M298 HydrophobicContact CE1-CG 4.1Å; F265-M298 HydrophobicContact CE2-CB 4.34Å; F265-M298 HydrophobicContact CG-CG 4.21Å; F265-M298 HydrophobicContact CZ-CB 3.8Å; F265-M298 HydrophobicContact CZ-CG 4.37Å; Y294-M298 HydrophobicContact CD1-CE 3.99Å; Y294-M298 HydrophobicContact CE1-CE 3.69Å; Y294-M298 WeakPolarHBondContact O-CB 3.47Å; Y294-M298 PolarHBondContact O-N 2.87Å; L295-M298 WeakPolarHBondContact O-CB 3.23Å; L295-M298 PolarHBondContact O-N 2.88Å; Y296-M298 VanDerWaalsContact C-N 3.26Å; Y296-M298 PolarHBondContact O-N 2.79Å; M298-E300 PolarHBondContact O-N 3.38Å; M298-H301 PolarHBondContact O-N 3.02Å; M298-F302 HydrophobicContact CG-CD2 3.85Å; M298-F302 HydrophobicContact CG-CE2 3.99Å; M298-F302 VanDerWaalsContact O-CD2 3.32Å; M298-F302 WeakPolarHBondContact O-CD2 3.5Å; M298-F302 PolarHBondContact O-N 3.43Å
299	L	86.4	Confident	84.4	Confident	4 Å²	4	28.2 Å²	28.2	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-58.1	-49.6	177.5	178.8	71.3	0	0	0	111.2	I14 F17 F23 F44 L295 Y296 H301 F302 R303	I14-L299 HydrophobicContact CG1-CD2 4.33Å; F17-L299 HydrophobicContact CB-CD1 3.76Å; F17-L299 HydrophobicContact CB-CD2 4.23Å; F17-L299 HydrophobicContact CD2-CD2 3.9Å; F17-L299 HydrophobicContact CG-CD1 4.16Å; F17-L299 HydrophobicContact CG-CD2 4.26Å; F23-L299 HydrophobicContact CD2-CD1 4.06Å; F23-L299 HydrophobicContact CE2-CD1 3.75Å; F44-L299 HydrophobicContact CE1-CD1 4.04Å; F44-L299 HydrophobicContact CE2-CB 4.14Å; F44-L299 HydrophobicContact CE2-CD1 4.12Å; F44-L299 HydrophobicContact CZ-CB 4.24Å; F44-L299 HydrophobicContact CZ-CD1 3.61Å; L295-L299 WeakPolarHBondContact O-CB 3.18Å; L295-L299 PolarHBondContact O-N 3.41Å; Y296-L299 WeakPolarHBondContact O-CB 3.2Å; Y296-L299 PolarHBondContact O-N 3.15Å; Y296-L299 VanDerWaalsContact O-N 3.14Å; L299-H301 VanDerWaalsContact C-N 3.35Å; L299-H301 PolarHBondContact O-N 3.47Å; L299-F302 CarbonylContact O-C 3.57Å; L299-F302 PolarHBondContact O-N 3.03Å; L299-R303 WeakPolarHBondContact O-CB 3.34Å; L299-R303 PolarHBondContact O-N 3.45Å
300	E	83.1	Confident	85.1	Confident	13 Å²	13	28.4 Å²	28.4	6%	0.061	14%	0.136	C	C	.	.	H	α-helix	trans	-63.9	-39.5	-179.9	-74.9	-59.3	116.2	0	0	112.2	Y296 C297 M298 R303 C304 Y525	Y296-E300 HydrophobicContact CD1-CG 4.41Å; Y296-E300 HydrophobicContact CE1-CG 3.76Å; Y296-E300 HydrophobicContact CE2-CG 4.13Å; Y296-E300 PolarHBondContact O-N 2.85Å; C297-E300 PolarHBondContact O-N 3.31Å; M298-E300 PolarHBondContact O-N 3.38Å; E300-R303 PolarHBondContact O-N 3.42Å; E300-R303 IonicContact OE1-CZ 3.6Å; E300-R303 IonicContact OE1-NE 3.91Å; E300-R303 PolarHBondContact OE1-NE 3.03Å; E300-R303 IonicContact OE1-NH2 3.68Å; E300-R303 PolarHBondContact OE1-NH2 3.41Å; E300-R303 IonicContact OE2-CZ 3.17Å; E300-R303 IonicContact OE2-NE 3.71Å; E300-R303 PolarHBondContact OE2-NE 2.91Å; E300-R303 IonicContact OE2-NH2 2.67Å; E300-R303 PolarHBondContact OE2-NH2 3.29Å; E300-C304 WeakPolarHBondContact O-CB 3.43Å; E300-C304 PolarHBondContact O-N 3.21Å; E300-C304 PolarHBondContact O-SG 2.93Å; E300-Y525 HydrophobicContact CB-CE2 4.03Å
301	H	89.5	Confident	85.5	Confident	6 Å²	6	28.4 Å²	28.4	3%	0.028	14%	0.136	C	C	.	.	H	α-helix	trans	-59.4	-50.9	174.3	-168.9	58.5	0	0	0	112	R40 F265 C297 M298 L299 R303 N305 T308 A522 Y524 Y525	R40-H301 PolarHBondContact NH2-O 2.9Å; F265-H301 HydrophobicContact CD2-CB 4.33Å; F265-H301 AromaticContact CD2-CD2 3.43Å; F265-H301 VanDerWaalsContact CD2-CD2 3.43Å; F265-H301 WeakPolarHBondContact CD2-CD2 3.28Å; F265-H301 HydrophobicContact CE2-CB 3.62Å; F265-H301 AromaticContact CE2-CD2 3.52Å; F265-H301 AromaticContact CE2-CG 3.69Å; C297-H301 WeakPolarHBondContact O-CB 3.27Å; C297-H301 PolarHBondContact O-N 3.18Å; M298-H301 PolarHBondContact O-N 3.02Å; L299-H301 VanDerWaalsContact C-N 3.35Å; L299-H301 PolarHBondContact O-N 3.47Å; H301-R303 PolarHBondContact O-N 2.89Å; H301-N305 PolarHBondContact O-N 3.12Å; H301-T308 WeakPolarHBondContact CD2-CG2 3.26Å; H301-T308 WeakPolarHBondContact NE2-CG2 3.13Å; H301-T308 WeakPolarHBondContact O-CG2 3.46Å; H301-A522 PolarHBondContact NE2-O 3.3Å; H301-Y524 PolarHBondContact CE1-O 3.24Å; H301-Y524 VanDerWaalsContact CE1-O 3.23Å; H301-Y525 HydrophobicContact CB-CD2 3.6Å; H301-Y525 HydrophobicContact CB-CE2 4.41Å; H301-Y525 HydrophobicContact CB-CG 4.24Å; H301-Y525 AromaticContact ND1-CD2 3.83Å
302	F	88	Confident	85.9	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-74.8	-5	177.7	-81.4	-84.8	0	0	0	114.4	F23 R40 N43 F44 T47 F265 M298 L299 T308 C311	F23-F302 HydrophobicContact CZ-CB 4.13Å; F23-F302 WeakPolarHBondContact CZ-O 3.45Å; R40-F302 HydrophobicContact CG-CD1 4.02Å; R40-F302 PolarHBondContact NE-O 2.89Å; R40-F302 PolarHBondContact NH1-O 3.39Å; R40-F302 PolarHBondContact NH2-O 3.05Å; N43-F302 HydrophobicContact CB-CD1 4.49Å; N43-F302 HydrophobicContact CB-CE1 3.62Å; N43-F302 HydrophobicContact CB-CZ 4.27Å; F44-F302 HydrophobicContact CB-CB 3.92Å; F44-F302 HydrophobicContact CB-CD1 3.81Å; F44-F302 HydrophobicContact CB-CD2 4.21Å; F44-F302 HydrophobicContact CB-CE1 4.35Å; F44-F302 HydrophobicContact CB-CG 3.73Å; F44-F302 HydrophobicContact CD2-CB 3.9Å; F44-F302 AromaticContact CD2-CD2 3.86Å; F44-F302 HydrophobicContact CD2-CD2 3.86Å; F44-F302 AromaticContact CD2-CG 3.99Å; F44-F302 HydrophobicContact CD2-CG 3.99Å; F44-F302 HydrophobicContact CG-CB 4.16Å; F44-F302 HydrophobicContact CG-CG 4.29Å; T47-F302 HydrophobicContact CG2-CE2 4.2Å; F265-F302 HydrophobicContact CB-CE2 4.45Å; F265-F302 HydrophobicContact CD2-CE2 4.38Å; M298-F302 HydrophobicContact CG-CD2 3.85Å; M298-F302 HydrophobicContact CG-CE2 3.99Å; M298-F302 VanDerWaalsContact O-CD2 3.32Å; M298-F302 WeakPolarHBondContact O-CD2 3.5Å; M298-F302 PolarHBondContact O-N 3.43Å; L299-F302 CarbonylContact O-C 3.57Å; L299-F302 PolarHBondContact O-N 3.03Å; F302-T308 WeakPolarHBondContact CD1-OG1 3.41Å; F302-C311 HydrophobicContact CE1-CB 4.03Å; F302-C311 HydrophobicContact CZ-CB 3.75Å
303	R	79.2	Confident	86.6	Confident	81 Å²	81	21.2 Å²	21.2	31%	0.306	11%	0.108	S	C	.	.	H	α-helix	trans	-97.7	-45	172.2	-168.8	-176.9	69.3	74.1	-0.9	112.1	L27 R40 L299 E300 H301	L27-R303 VanDerWaalsContact CD2-O 3.28Å; L27-R303 WeakPolarHBondContact CD2-O 3.48Å; R40-R303 PolarHBondContact NH1-O 3.02Å; R40-R303 VanDerWaalsContact NH2-N 3.18Å; R40-R303 PolarHBondContact NH2-O 2.77Å; L299-R303 WeakPolarHBondContact O-CB 3.34Å; L299-R303 PolarHBondContact O-N 3.45Å; E300-R303 PolarHBondContact O-N 3.42Å; E300-R303 IonicContact OE1-CZ 3.6Å; E300-R303 IonicContact OE1-NE 3.91Å; E300-R303 PolarHBondContact OE1-NE 3.03Å; E300-R303 IonicContact OE1-NH2 3.68Å; E300-R303 PolarHBondContact OE1-NH2 3.41Å; E300-R303 IonicContact OE2-CZ 3.17Å; E300-R303 IonicContact OE2-NE 3.71Å; E300-R303 PolarHBondContact OE2-NE 2.91Å; E300-R303 IonicContact OE2-NH2 2.67Å; E300-R303 PolarHBondContact OE2-NH2 3.29Å; H301-R303 PolarHBondContact O-N 2.89Å
304	C	76.7	Confident	86.8	Confident	74 Å²	74	24 Å²	24	50%	0.5	14%	0.135	S	C	.	.	H	α-helix	trans	-93.4	-24.5	-166.7	-63.6	0	0	0	0	115.5	R40 E300	R40-C304 VanDerWaalsContact NH2-N 3.19Å; E300-C304 WeakPolarHBondContact O-CB 3.43Å; E300-C304 PolarHBondContact O-N 3.21Å; E300-C304 PolarHBondContact O-SG 2.93Å
305	N	79.5	Confident	86.8	Confident	48 Å²	48	28.2 Å²	28.2	26%	0.257	17%	0.165	S	C	.	.			trans	-113.6	105.6	-174.5	179.2	3.5	0	0	0	114.6	R40 H301 A307 T308 R521	R40-N305 VanDerWaalsContact CZ-C 3.42Å; R40-N305 PolarHBondContact NE-O 3.14Å; R40-N305 PolarHBondContact NH2-O 3.42Å; H301-N305 PolarHBondContact O-N 3.12Å; N305-A307 PolarHBondContact O-N 3.44Å; N305-A307 VanDerWaalsContact OD1-CB 3.23Å; N305-A307 WeakPolarHBondContact OD1-CB 3.22Å; N305-A307 PolarHBondContact OD1-N 2.88Å; N305-T308 HydrophobicContact CB-CG2 3.93Å; N305-T308 VanDerWaalsContact O-CG2 3.28Å; N305-T308 WeakPolarHBondContact O-CG2 3.35Å; N305-T308 PolarHBondContact O-N 2.79Å; N305-T308 PolarHBondContact O-OG1 2.92Å; N305-R521 PolarHBondContact ND2-O 3.29Å
306	E	79	Confident	87	Confident	98 Å²	98	27.6 Å²	27.6	46%	0.458	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-53.8	-28.6	178.7	-72.6	172.7	-142.7	0	0	114.1	E31 T308 V309	E31-E306 HydrophobicContact CG-CG 4.06Å; E306-T308 PolarHBondContact O-N 3.44Å; E306-T308 VanDerWaalsContact O-N 3.11Å; E306-V309 WeakPolarHBondContact O-CG1 3.13Å; E306-V309 PolarHBondContact O-N 3.42Å
307	A	84.8	Confident	87.4	Confident	21 Å²	21	28.1 Å²	28.1	17%	0.174	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-63.5	-18.9	179.7	0	0	0	0	0	112.6	N305 V309 R310 A522	N305-A307 PolarHBondContact O-N 3.44Å; N305-A307 VanDerWaalsContact OD1-CB 3.23Å; N305-A307 WeakPolarHBondContact OD1-CB 3.22Å; N305-A307 PolarHBondContact OD1-N 2.88Å; A307-V309 PolarHBondContact O-N 3.09Å; A307-V309 VanDerWaalsContact O-N 3.11Å; A307-R310 WeakPolarHBondContact O-CB 3.42Å; A307-R310 PolarHBondContact O-N 2.66Å; A307-A522 HydrophobicContact CB-CB 4.19Å; A307-A522 WeakPolarHBondContact O-CB 3.28Å
308	T	89.4	Confident	87.5	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-70.8	-3.5	180	77.6	0	0	0	0	113.9	R40 H301 F302 N305 E306 R310 C311	R40-T308 PolarHBondContact NE-OG1 3.04Å; H301-T308 WeakPolarHBondContact CD2-CG2 3.26Å; H301-T308 WeakPolarHBondContact NE2-CG2 3.13Å; H301-T308 WeakPolarHBondContact O-CG2 3.46Å; F302-T308 WeakPolarHBondContact CD1-OG1 3.41Å; N305-T308 HydrophobicContact CB-CG2 3.93Å; N305-T308 VanDerWaalsContact O-CG2 3.28Å; N305-T308 WeakPolarHBondContact O-CG2 3.35Å; N305-T308 PolarHBondContact O-N 2.79Å; N305-T308 PolarHBondContact O-OG1 2.92Å; E306-T308 PolarHBondContact O-N 3.44Å; E306-T308 VanDerWaalsContact O-N 3.11Å; T308-R310 PolarHBondContact O-N 3.25Å; T308-C311 VanDerWaalsContact O-CB 3.28Å; T308-C311 WeakPolarHBondContact O-CB 3.3Å; T308-C311 PolarHBondContact O-N 3.29Å
309	V	88.8	Confident	87.4	Confident	2 Å²	2	35 Å²	35	1%	0.012	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-56	-25.3	161.7	74	0	0	0	0	112.1	L36 L39 N43 E306 A307 L324 V329	L36-V309 HydrophobicContact CD2-CG2 4.18Å; L39-V309 HydrophobicContact CB-CG2 4.23Å; L39-V309 HydrophobicContact CD2-CG2 3.43Å; L39-V309 VanDerWaalsContact CD2-CG2 3.43Å; L39-V309 HydrophobicContact CG-CG2 3.83Å; N43-V309 PolarHBondContact ND2-O 2.75Å; E306-V309 WeakPolarHBondContact O-CG1 3.13Å; E306-V309 PolarHBondContact O-N 3.42Å; A307-V309 PolarHBondContact O-N 3.09Å; A307-V309 VanDerWaalsContact O-N 3.11Å; V309-L324 HydrophobicContact CG1-CD2 3.82Å; V309-L324 HydrophobicContact CG2-CD2 4.3Å; V309-V329 HydrophobicContact CG1-CB 4.34Å; V309-V329 HydrophobicContact CG1-CG2 3.85Å
310	R	89.9	Confident	87.6	Confident	26 Å²	26	34.8 Å²	34.8	10%	0.098	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-88.5	-6.2	174.6	-60.6	-177.1	-178.8	-148.4	2.1	113.5	A307 T308 V312 L324 V329 C331 F350 L519 A522	A307-R310 WeakPolarHBondContact O-CB 3.42Å; A307-R310 PolarHBondContact O-N 2.66Å; T308-R310 PolarHBondContact O-N 3.25Å; R310-V312 PolarHBondContact O-N 3.39Å; R310-L324 HydrophobicContact CG-CD1 3.83Å; R310-V329 PolarHBondContact NH2-O 3.36Å; R310-C331 PolarHBondContact NH1-SG 2.68Å; R310-C331 PolarHBondContact NH2-SG 3Å; R310-C331 VanDerWaalsContact NH2-SG 3.36Å; R310-F350 HydrophobicContact CB-CD2 4.2Å; R310-F350 HydrophobicContact CB-CE2 3.72Å; R310-F350 HydrophobicContact CG-CD2 4.06Å; R310-F350 HydrophobicContact CG-CE2 4.05Å; R310-L519 HydrophobicContact CB-CD2 4.28Å; R310-A522 HydrophobicContact CB-CB 3.89Å
311	C	92.6	Very high	87.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.198	C	C	.	.			trans	-84.7	93.6	176.1	-170.4	0	0	0	0	108.9	N43 F265 F302 T308 A522	N43-C311 VanDerWaalsContact CB-O 3.3Å; N43-C311 WeakPolarHBondContact CB-O 3.4Å; N43-C311 PolarHBondContact ND2-O 3.2Å; F265-C311 PolarHBondContact N-SG 3.37Å; F265-C311 VanDerWaalsContact N-SG 3.44Å; F302-C311 HydrophobicContact CE1-CB 4.03Å; F302-C311 HydrophobicContact CZ-CB 3.75Å; T308-C311 VanDerWaalsContact O-CB 3.28Å; T308-C311 WeakPolarHBondContact O-CB 3.3Å; T308-C311 PolarHBondContact O-N 3.29Å; C311-A522 VanDerWaalsContact CB-O 3.3Å; C311-A522 WeakPolarHBondContact CB-O 3.45Å
312	V	92.7	Very high	87.8	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.006	23%	0.225	C	C	.	.			trans	-111.4	170.4	-169.7	-64.2	0	0	0	0	112.2	F264 R310 F317 A320 F350	F264-V312 VanDerWaalsContact CB-O 3.31Å; F264-V312 WeakPolarHBondContact CB-O 2.96Å; F264-V312 HydrophobicContact CD2-CG2 4.02Å; F264-V312 HydrophobicContact CE2-CG2 3.98Å; F264-V312 WeakPolarHBondContact CG-O 3.16Å; F264-V312 HydrophobicContact CZ-CG2 4.47Å; R310-V312 PolarHBondContact O-N 3.39Å; V312-F317 HydrophobicContact CG2-CD2 3.74Å; V312-F317 HydrophobicContact CG2-CE2 4.45Å; V312-A320 HydrophobicContact CG1-CB 3.48Å; V312-A320 VanDerWaalsContact CG1-CB 3.48Å; V312-F350 HydrophobicContact CB-CZ 4.48Å; V312-F350 HydrophobicContact CG1-CZ 3.78Å; V312-F350 HydrophobicContact CG2-CZ 3.84Å
313	T	92.4	Very high	87.8	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.018	23%	0.231	C	C	.	.			trans	-120.7	170.1	167.2	57.1	0	0	0	0	108	S46 M50 S315 T316 F317	S46-T313 VanDerWaalsContact CB-OG1 3.3Å; S46-T313 WeakPolarHBondContact CB-OG1 3.36Å; S46-T313 PolarHBondContact OG-OG1 3.46Å; M50-T313 HydrophobicContact CG-CG2 4.08Å; T313-S315 PolarHBondContact O-N 3.49Å; T313-S315 VanDerWaalsContact O-N 3.15Å; T313-S315 PolarHBondContact OG1-OG 3.15Å; T313-S315 VanDerWaalsContact OG1-OG 3.05Å; T313-T316 PolarHBondContact N-OG1 2.94Å; T313-T316 VanDerWaalsContact N-OG1 3.17Å; T313-T316 PolarHBondContact O-N 3.1Å; T313-T316 PolarHBondContact O-OG1 3.06Å; T313-T316 PolarHBondContact OG1-OG1 2.81Å; T313-F317 PolarHBondContact O-N 3.25Å
314	A	88.4	Confident	88.1	Confident	82 Å²	82	39.8 Å²	39.8	68%	0.678	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-38.1	176.3	0	0	0	0	0	112.9	T316	A314-T316 VanDerWaalsContact C-N 3.35Å; A314-T316 PolarHBondContact O-N 2.74Å
315	S	90.4	Very high	88.4	Confident	94 Å²	94	42.5 Å²	42.5	66%	0.657	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-22.5	-178.5	66.3	0	0	0	0	114.4	S46 T313	S46-S315 PolarHBondContact OG-OG 2.99Å; T313-S315 PolarHBondContact O-N 3.49Å; T313-S315 VanDerWaalsContact O-N 3.15Å; T313-S315 PolarHBondContact OG1-OG 3.15Å; T313-S315 VanDerWaalsContact OG1-OG 3.05Å
316	T	92.7	Very high	88.5	Confident	10 Å²	10	49.9 Å²	49.9	6%	0.061	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-4.6	-177.7	62.7	0	0	0	0	113.6	N43 T313 A314 E319 A320	N43-T316 WeakPolarHBondContact OD1-CB 3.46Å; N43-T316 PolarHBondContact OD1-OG1 3.04Å; T313-T316 PolarHBondContact N-OG1 2.94Å; T313-T316 VanDerWaalsContact N-OG1 3.17Å; T313-T316 PolarHBondContact O-N 3.1Å; T313-T316 PolarHBondContact O-OG1 3.06Å; T313-T316 PolarHBondContact OG1-OG1 2.81Å; A314-T316 VanDerWaalsContact C-N 3.35Å; A314-T316 PolarHBondContact O-N 2.74Å; T316-E319 PolarHBondContact O-N 3.43Å; T316-A320 WeakPolarHBondContact O-CB 3.47Å; T316-A320 PolarHBondContact O-N 3.07Å
317	F	91.5	Very high	88.4	Confident	27 Å²	27	48.2 Å²	48.2	12%	0.118	24%	0.241	C	C	.	.	H	α-helix	trans	-56.8	-56	-173.2	-173.9	-88.3	0	0	0	113.2	V312 T313 E319 A320 D321 F350 R351 C354 M358	V312-F317 HydrophobicContact CG2-CD2 3.74Å; V312-F317 HydrophobicContact CG2-CE2 4.45Å; T313-F317 PolarHBondContact O-N 3.25Å; F317-E319 VanDerWaalsContact C-N 3.33Å; F317-E319 PolarHBondContact O-N 3.34Å; F317-A320 PolarHBondContact O-N 3.42Å; F317-D321 PolarHBondContact O-N 2.84Å; F317-F350 HydrophobicContact CD2-CE1 4.49Å; F317-F350 HydrophobicContact CE2-CE1 4.27Å; F317-R351 HydrophobicContact CE1-CG 4.4Å; F317-R351 HydrophobicContact CZ-CG 4.21Å; F317-C354 HydrophobicContact CE2-CB 3.59Å; F317-C354 HydrophobicContact CZ-CB 4.04Å; F317-M358 HydrophobicContact CE2-CE 4.36Å
318	D	90.7	Very high	87.7	Confident	82 Å²	82	50.6 Å²	50.6	44%	0.439	25%	0.254	S	S	.	.	H	α-helix	trans	-68.4	-31.7	-175.7	-72.7	-36.4	0	0	0	112.9	R322 R351	D318-R322 VanDerWaalsContact O-CG 3.27Å; D318-R322 WeakPolarHBondContact O-CG 3.17Å; D318-R322 PolarHBondContact O-N 3.43Å; D318-R351 IonicContact OD1-CZ 3.44Å; D318-R351 IonicContact OD1-NH1 2.67Å; D318-R351 IonicContact OD1-NH2 3.16Å; D318-R351 PolarHBondContact OD1-NH2 3.26Å; D318-R351 VanDerWaalsContact OD1-NH2 3.07Å
319	E	90.6	Very high	86.8	Confident	62 Å²	62	51.6 Å²	51.6	29%	0.29	26%	0.26	S	S	.	.	H	α-helix	trans	-66.1	-46.4	173.3	-171.4	-170.7	137.6	0	0	110.4	L39 R42 T316 F317 D321 R322 I323	L39-E319 HydrophobicContact CD1-CG 4.44Å; R42-E319 WeakPolarHBondContact CD-OE1 3.4Å; R42-E319 IonicContact CZ-OE1 3.8Å; R42-E319 IonicContact CZ-OE2 2.63Å; R42-E319 IonicContact NE-OE1 3.83Å; R42-E319 IonicContact NH1-OE1 3.85Å; R42-E319 PolarHBondContact NH1-OE1 3.15Å; R42-E319 IonicContact NH1-OE2 2.63Å; R42-E319 PolarHBondContact NH1-OE2 3.44Å; T316-E319 PolarHBondContact O-N 3.43Å; F317-E319 VanDerWaalsContact C-N 3.33Å; F317-E319 PolarHBondContact O-N 3.34Å; E319-D321 PolarHBondContact O-N 3.3Å; E319-R322 PolarHBondContact O-N 2.89Å; E319-I323 HydrophobicContact CG-CD1 3.86Å; E319-I323 WeakPolarHBondContact O-CG1 3.4Å; E319-I323 PolarHBondContact O-N 3.47Å
320	A	90.2	Very high	85.6	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.1	-42.8	179.1	0	0	0	0	0	111.8	L39 V312 T316 F317 I323 L324 F350	L39-A320 HydrophobicContact CD1-CB 4.14Å; L39-A320 HydrophobicContact CD2-CB 4.04Å; V312-A320 HydrophobicContact CG1-CB 3.48Å; V312-A320 VanDerWaalsContact CG1-CB 3.48Å; T316-A320 WeakPolarHBondContact O-CB 3.47Å; T316-A320 PolarHBondContact O-N 3.07Å; F317-A320 PolarHBondContact O-N 3.42Å; A320-I323 PolarHBondContact O-N 2.83Å; A320-L324 HydrophobicContact CB-CD1 4.43Å; A320-L324 VanDerWaalsContact O-CB 3.25Å; A320-L324 WeakPolarHBondContact O-CB 3.43Å; A320-L324 WeakPolarHBondContact O-CD1 3.46Å; A320-L324 WeakPolarHBondContact O-CG 2.77Å; A320-L324 PolarHBondContact O-N 2.8Å; A320-F350 HydrophobicContact CB-CE1 4.03Å; A320-F350 HydrophobicContact CB-CZ 4.24Å
321	D	89.2	Confident	83.8	Confident	11 Å²	11	63 Å²	63	6%	0.059	32%	0.318	C	S	.	.	H	α-helix	trans	-57.5	-52.2	177.4	-162.4	37.5	0	0	0	111	F317 E319 I323 L324 E325 F350 R351	F317-D321 PolarHBondContact O-N 2.84Å; E319-D321 PolarHBondContact O-N 3.3Å; D321-I323 VanDerWaalsContact C-N 3.33Å; D321-I323 PolarHBondContact O-N 2.83Å; D321-L324 PolarHBondContact O-N 3.31Å; D321-E325 WeakPolarHBondContact O-CB 3.22Å; D321-E325 WeakPolarHBondContact O-CG 3.28Å; D321-E325 PolarHBondContact O-N 2.97Å; D321-F350 HydrophobicContact CB-CD1 3.91Å; D321-F350 HydrophobicContact CB-CE1 4.29Å; D321-F350 WeakPolarHBondContact OD1-CD1 3.2Å; D321-R351 IonicContact OD2-CZ 3.69Å; D321-R351 IonicContact OD2-NE 2.88Å; D321-R351 PolarHBondContact OD2-NE 2.65Å; D321-R351 IonicContact OD2-NH2 3.11Å; D321-R351 PolarHBondContact OD2-NH2 3.34Å
322	R	88.1	Confident	81.7	Confident	156 Å²	156	67.8 Å²	67.8	59%	0.589	35%	0.348	S	S	*	.	H	α-helix	trans	-60.1	-39	178.1	-67.5	173.4	-161.6	-179.6	6.2	113.3	D318 E319 R326	D318-R322 VanDerWaalsContact O-CG 3.27Å; D318-R322 WeakPolarHBondContact O-CG 3.17Å; D318-R322 PolarHBondContact O-N 3.43Å; E319-R322 PolarHBondContact O-N 2.89Å; R322-R326 WeakPolarHBondContact O-CG 3.13Å
323	I	87	Confident	79.4	Confident	27 Å²	27	73 Å²	73	14%	0.138	37%	0.37	C	S	.	.	H	α-helix	trans	-73	-43	-179.7	-69.8	173.6	0	0	0	110.5	L36 L39 E319 A320 D321 R326 K327	L36-I323 HydrophobicContact CD2-CG2 3.89Å; L39-I323 HydrophobicContact CB-CD1 4.26Å; L39-I323 HydrophobicContact CD1-CD1 4.34Å; L39-I323 HydrophobicContact CD2-CB 3.99Å; L39-I323 HydrophobicContact CD2-CD1 4Å; L39-I323 HydrophobicContact CD2-CG2 3.91Å; L39-I323 HydrophobicContact CG-CD1 4.43Å; E319-I323 HydrophobicContact CG-CD1 3.86Å; E319-I323 WeakPolarHBondContact O-CG1 3.4Å; E319-I323 PolarHBondContact O-N 3.47Å; A320-I323 PolarHBondContact O-N 2.83Å; D321-I323 VanDerWaalsContact C-N 3.33Å; D321-I323 PolarHBondContact O-N 2.83Å; I323-R326 PolarHBondContact O-N 3.18Å; I323-K327 PolarHBondContact O-N 3.48Å
324	L	85.5	Confident	77	Confident	11 Å²	11	78.9 Å²	78.9	6%	0.058	40%	0.401	C	S	.	.	H	α-helix	trans	-72.9	-28.5	-177.1	-70	169.8	0	0	0	113	V309 R310 A320 D321 R326 K327 P328 V329 F350	V309-L324 HydrophobicContact CG1-CD2 3.82Å; V309-L324 HydrophobicContact CG2-CD2 4.3Å; R310-L324 HydrophobicContact CG-CD1 3.83Å; A320-L324 HydrophobicContact CB-CD1 4.43Å; A320-L324 VanDerWaalsContact O-CB 3.25Å; A320-L324 WeakPolarHBondContact O-CB 3.43Å; A320-L324 WeakPolarHBondContact O-CD1 3.46Å; A320-L324 WeakPolarHBondContact O-CG 2.77Å; A320-L324 PolarHBondContact O-N 2.8Å; D321-L324 PolarHBondContact O-N 3.31Å; L324-R326 VanDerWaalsContact C-N 3.3Å; L324-K327 CarbonylContact O-C 3.44Å; L324-P328 WeakPolarHBondContact O-CA 3.27Å; L324-V329 HydrophobicContact CD2-CG2 4.12Å; L324-F350 HydrophobicContact CD1-CB 4.3Å; L324-F350 HydrophobicContact CD1-CD1 4.07Å; L324-F350 HydrophobicContact CD1-CD2 3.61Å; L324-F350 HydrophobicContact CD1-CE1 4.29Å; L324-F350 HydrophobicContact CD1-CE2 3.87Å; L324-F350 HydrophobicContact CD1-CG 3.7Å; L324-F350 HydrophobicContact CD1-CZ 4.19Å
325	E	82.8	Confident	74.7	Confident	131 Å²	131	80 Å²	80	61%	0.612	40%	0.396	S	S	*	.	H	α-helix	trans	-59.1	-41.4	167.5	-78.6	-179.7	161.7	0	0	111.7	D321	D321-E325 WeakPolarHBondContact O-CB 3.22Å; D321-E325 WeakPolarHBondContact O-CG 3.28Å; D321-E325 PolarHBondContact O-N 2.97Å
326	R	81.6	Confident	72.6	Confident	203 Å²	203	83 Å²	83	77%	0.766	40%	0.397	S	S	*	.	H	α-helix	trans	-81.7	-32.5	-179.5	-63.7	173.6	-174.6	-178.4	-0.1	112.9	R322 I323 L324	R322-R326 WeakPolarHBondContact O-CG 3.13Å; I323-R326 PolarHBondContact O-N 3.18Å; L324-R326 VanDerWaalsContact C-N 3.3Å
327	K	78.1	Confident	69.9	Low	64 Å²	64	89.7 Å²	89.7	28%	0.278	43%	0.432	S	S	.	.	S	Bend	trans	-133.1	76.4	-172	-68.6	179.6	175.5	171.2	0	110	P33 E35 L36 I323 L324 V329	P33-K327 HydrophobicContact CB-CD 4.11Å; P33-K327 HydrophobicContact CG-CD 4.13Å; E35-K327 IonicContact OE1-NZ 3.66Å; E35-K327 PolarHBondContact OE1-NZ 2.89Å; E35-K327 IonicContact OE2-NZ 3.47Å; E35-K327 PolarHBondContact OE2-NZ 3.31Å; L36-K327 HydrophobicContact CD2-CB 4.27Å; I323-K327 PolarHBondContact O-N 3.48Å; L324-K327 CarbonylContact O-C 3.44Å; K327-V329 PolarHBondContact O-N 3.41Å
328	P	69.6	Low	67.1	Low	70 Å²	70	91.7 Å²	91.7	46%	0.455	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-66.1	124.7	-177.7	26.4	-34.1	0	0	0	110.7	L324	L324-P328 WeakPolarHBondContact O-CA 3.27Å
329	V	70.2	Confident	64.4	Low	21 Å²	21	97.6 Å²	97.6	13%	0.127	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-86.1	129	169.9	179.2	0	0	0	0	108.9	L36 V309 R310 L324 K327 C331	L36-V329 HydrophobicContact CD1-CG2 3.79Å; L36-V329 HydrophobicContact CD2-CG2 4.37Å; V309-V329 HydrophobicContact CG1-CB 4.34Å; V309-V329 HydrophobicContact CG1-CG2 3.85Å; R310-V329 PolarHBondContact NH2-O 3.36Å; L324-V329 HydrophobicContact CD2-CG2 4.12Å; K327-V329 PolarHBondContact O-N 3.41Å; V329-C331 PolarHBondContact O-N 3.49Å
330	K	63.2	Low	61.6	Low	200 Å²	200	105 Å²	105	87%	0.87	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-54.2	126.8	-179.7	-71.9	-176.1	178	-178.4	0	110.3
331	C	52.1	Low	59.1	Low	69 Å²	69	114.8 Å²	114.8	47%	0.466	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-99.6	122	169	-88.5	0	0	0	0	109.9	R310 V329 K333	R310-C331 PolarHBondContact NH1-SG 2.68Å; R310-C331 PolarHBondContact NH2-SG 3Å; R310-C331 VanDerWaalsContact NH2-SG 3.36Å; V329-C331 PolarHBondContact O-N 3.49Å; C331-K333 PolarHBondContact O-N 3.21Å
332	T	48.9	Very low	56.4	Low	100 Å²	100	118.1 Å²	118.1	61%	0.613	57%	0.571	S	S	*	*			trans	-85.4	97.4	166.1	25.3	0	0	0	0	108.3	N334 R521	T332-N334 PolarHBondContact O-N 3.48Å; T332-R521 PolarHBondContact OG1-NH1 3.31Å
333	K	45.1	Very low	53.9	Low	109 Å²	109	118.2 Å²	118.2	47%	0.474	58%	0.583	S	S	.	*			trans	-74.8	117.9	164.5	-85.2	-173.1	176.3	-179.4	0	108.3	C331 N335 E348	C331-K333 PolarHBondContact O-N 3.21Å; K333-N335 PolarHBondContact O-N 2.89Å; K333-E348 WeakPolarHBondContact CE-OE2 3.19Å; K333-E348 IonicContact NZ-OE1 3.65Å; K333-E348 PolarHBondContact NZ-OE1 2.94Å; K333-E348 IonicContact NZ-OE2 3.5Å; K333-E348 PolarHBondContact NZ-OE2 3.41Å
334	N	42.2	Very low	51.3	Low	127 Å²	127	120.5 Å²	120.5	68%	0.679	60%	0.602	S	S	*	*			trans	-79.8	93.7	162.2	-88	-2.2	0	0	0	107.5	T332 K336	T332-N334 PolarHBondContact O-N 3.48Å; N334-K336 PolarHBondContact O-N 2.96Å
335	N	40.1	Very low	49.3	Very low	106 Å²	106	125.7 Å²	125.7	57%	0.567	63%	0.633	S	S	*	*			trans	-63.4	125.4	167.8	-80.9	-9.6	0	0	0	108.6	K333 L337	K333-N335 PolarHBondContact O-N 2.89Å; N335-L337 PolarHBondContact O-N 3.5Å
336	K	44.7	Very low	47.3	Very low	156 Å²	156	124.4 Å²	124.4	68%	0.678	63%	0.634	S	S	*	*	S	Bend	trans	-63.2	0.7	178	-75.5	-174.4	174.2	-175.7	0	114.4	N334 T516	N334-K336 PolarHBondContact O-N 2.96Å; K336-T516 VanDerWaalsContact NZ-CG2 3.26Å
337	L	37	Very low	45.8	Very low	151 Å²	151	121.2 Å²	121.2	79%	0.791	63%	0.628	S	S	*	*	S	Bend	trans	-99.6	100.4	166.5	-81	126	0	0	0	108.5	N335	N335-L337 PolarHBondContact O-N 3.5Å
338	G	31.5	Very low	44.8	Very low	70 Å²	70	121 Å²	121	72%	0.722	63%	0.628	S	S	*	*	S	Bend	trans	-49.6	141.5	170	0	0	0	0	0	111
339	K	34.3	Very low	45	Very low	205 Å²	205	126.5 Å²	126.5	89%	0.891	64%	0.64	S	S	*	*	S	Bend	trans	87.8	58.3	178.4	-51.1	178.7	179.6	-179.5	0	116.8
340	R	32	Very low	45.7	Very low	217 Å²	217	126 Å²	126	82%	0.819	64%	0.636	S	S	*	*			trans	-174.4	116.9	132.7	-102.9	164.2	-174.6	-175.1	1.9	110	T342	R340-T342 HydrophobicContact CB-CG2 4.48Å; R340-T342 PolarHBondContact O-N 3.26Å
341	K	37.8	Very low	46.9	Very low	207 Å²	207	121.1 Å²	121.1	90%	0.9	61%	0.612	S	S	*	*			trans	-69.7	86.7	156.8	-78.6	-177.3	177	179.7	0	106.4	D343	K341-D343 PolarHBondContact O-N 3.39Å
342	T	32.1	Very low	48.5	Very low	81 Å²	81	121.9 Å²	121.9	50%	0.497	61%	0.611	S	S	.	*			trans	-84	106	164.6	29.2	0	0	0	0	107.2	R340 S344	R340-T342 HydrophobicContact CB-CG2 4.48Å; R340-T342 PolarHBondContact O-N 3.26Å; T342-S344 PolarHBondContact O-N 2.92Å
343	D	35.6	Very low	50.2	Low	157 Å²	157	117.2 Å²	117.2	84%	0.84	58%	0.583	S	S	*	*			trans	-68.4	41	164.8	-77	-30.4	0	0	0	111	K341 V345	K341-D343 PolarHBondContact O-N 3.39Å; D343-V345 PolarHBondContact O-N 3.48Å; D343-V345 VanDerWaalsContact O-N 3.15Å
344	S	33.3	Very low	52.2	Low	76 Å²	76	112 Å²	112	53%	0.531	56%	0.56	S	S	.	*			trans	-75	108.3	171.7	59.7	0	0	0	0	107.3	T342 V346	T342-S344 PolarHBondContact O-N 2.92Å; S344-V346 PolarHBondContact O-N 3.16Å
345	V	42.3	Very low	54.4	Low	120 Å²	120	110.1 Å²	110.1	73%	0.727	55%	0.55	S	S	*	*			trans	-65.4	71.7	164.9	-174.5	0	0	0	0	107.5	D343 Q347	D343-V345 PolarHBondContact O-N 3.48Å; D343-V345 VanDerWaalsContact O-N 3.15Å; V345-Q347 VanDerWaalsContact C-N 3.27Å; V345-Q347 HydrophobicContact CG1-CG 4.16Å; V345-Q347 PolarHBondContact O-N 3.39Å
346	V	41.2	Very low	56.5	Low	103 Å²	103	108.7 Å²	108.7	62%	0.624	54%	0.54	S	S	*	.			trans	-72.6	98.2	161	-178.5	0	0	0	0	103.9	S344 E348	S344-V346 PolarHBondContact O-N 3.16Å; V346-E348 PolarHBondContact O-N 2.81Å
347	Q	50.5	Low	58.6	Low	136 Å²	136	101.2 Å²	101.2	64%	0.636	51%	0.508	S	S	*	.			trans	-63.8	74.7	163.7	-84.6	-178	-19.5	0	0	107.5	V345 R349	V345-Q347 VanDerWaalsContact C-N 3.27Å; V345-Q347 HydrophobicContact CG1-CG 4.16Å; V345-Q347 PolarHBondContact O-N 3.39Å; Q347-R349 PolarHBondContact O-N 3.34Å
348	E	56.2	Low	61	Low	59 Å²	59	97.2 Å²	97.2	28%	0.276	49%	0.486	S	S	.	.			trans	-58.7	112.8	161.8	-160.7	162.4	-125.2	0	0	105.1	K333 V346 F350 A353	K333-E348 WeakPolarHBondContact CE-OE2 3.19Å; K333-E348 IonicContact NZ-OE1 3.65Å; K333-E348 PolarHBondContact NZ-OE1 2.94Å; K333-E348 IonicContact NZ-OE2 3.5Å; K333-E348 PolarHBondContact NZ-OE2 3.41Å; V346-E348 PolarHBondContact O-N 2.81Å; E348-F350 PolarHBondContact O-N 2.91Å; E348-A353 HydrophobicContact CG-CB 4.38Å
349	R	75.6	Confident	63.6	Low	186 Å²	186	96.3 Å²	96.3	70%	0.702	47%	0.468	S	S	*	.			trans	-55.2	128.6	-177.8	-70.1	-178.8	170.2	176.1	-3.1	107.1	Q347 R351 D352 A353	Q347-R349 PolarHBondContact O-N 3.34Å; R349-R351 PolarHBondContact O-N 2.56Å; R349-R351 VanDerWaalsContact O-N 3.14Å; R349-D352 HydrophobicContact CB-CB 4.29Å; R349-D352 WeakPolarHBondContact CB-OD2 3.46Å; R349-D352 WeakPolarHBondContact O-CB 3.25Å; R349-D352 PolarHBondContact O-N 3.21Å; R349-A353 PolarHBondContact O-N 3.48Å; R349-A353 VanDerWaalsContact O-N 3.1Å
350	F	84.7	Confident	66.1	Low	12 Å²	12	88.8 Å²	88.8	5%	0.053	44%	0.437	C	S	.	.	H	α-helix	trans	-51.7	-42.3	-175.4	167.4	-109.2	0	0	0	111.5	R310 V312 F317 A320 D321 L324 E348 D352 A353 C354	R310-F350 HydrophobicContact CB-CD2 4.2Å; R310-F350 HydrophobicContact CB-CE2 3.72Å; R310-F350 HydrophobicContact CG-CD2 4.06Å; R310-F350 HydrophobicContact CG-CE2 4.05Å; V312-F350 HydrophobicContact CB-CZ 4.48Å; V312-F350 HydrophobicContact CG1-CZ 3.78Å; V312-F350 HydrophobicContact CG2-CZ 3.84Å; F317-F350 HydrophobicContact CD2-CE1 4.49Å; F317-F350 HydrophobicContact CE2-CE1 4.27Å; A320-F350 HydrophobicContact CB-CE1 4.03Å; A320-F350 HydrophobicContact CB-CZ 4.24Å; D321-F350 HydrophobicContact CB-CD1 3.91Å; D321-F350 HydrophobicContact CB-CE1 4.29Å; D321-F350 WeakPolarHBondContact OD1-CD1 3.2Å; L324-F350 HydrophobicContact CD1-CB 4.3Å; L324-F350 HydrophobicContact CD1-CD1 4.07Å; L324-F350 HydrophobicContact CD1-CD2 3.61Å; L324-F350 HydrophobicContact CD1-CE1 4.29Å; L324-F350 HydrophobicContact CD1-CE2 3.87Å; L324-F350 HydrophobicContact CD1-CG 3.7Å; L324-F350 HydrophobicContact CD1-CZ 4.19Å; E348-F350 PolarHBondContact O-N 2.91Å; F350-D352 PolarHBondContact O-N 2.84Å; F350-A353 PolarHBondContact O-N 3.44Å; F350-C354 WeakPolarHBondContact CE2-SG 3.26Å; F350-C354 WeakPolarHBondContact CZ-SG 3.36Å; F350-C354 PolarHBondContact O-N 2.94Å; F350-C354 PolarHBondContact O-SG 2.85Å
351	R	87.5	Confident	68.8	Low	97 Å²	97	78.6 Å²	78.6	37%	0.366	40%	0.399	S	S	.	.	H	α-helix	trans	-56.5	-44.1	173.5	-170	170.8	-68.3	-97.4	-0.6	113.9	F317 D318 D321 R349 C354 N355	F317-R351 HydrophobicContact CE1-CG 4.4Å; F317-R351 HydrophobicContact CZ-CG 4.21Å; D318-R351 IonicContact OD1-CZ 3.44Å; D318-R351 IonicContact OD1-NH1 2.67Å; D318-R351 IonicContact OD1-NH2 3.16Å; D318-R351 PolarHBondContact OD1-NH2 3.26Å; D318-R351 VanDerWaalsContact OD1-NH2 3.07Å; D321-R351 IonicContact OD2-CZ 3.69Å; D321-R351 IonicContact OD2-NE 2.88Å; D321-R351 PolarHBondContact OD2-NE 2.65Å; D321-R351 IonicContact OD2-NH2 3.11Å; D321-R351 PolarHBondContact OD2-NH2 3.34Å; R349-R351 PolarHBondContact O-N 2.56Å; R349-R351 VanDerWaalsContact O-N 3.14Å; R351-C354 WeakPolarHBondContact O-CB 3.35Å; R351-C354 PolarHBondContact O-N 3.48Å; R351-N355 VanDerWaalsContact O-CG 3.28Å; R351-N355 PolarHBondContact O-N 3.15Å; R351-N355 PolarHBondContact O-ND2 2.93Å
352	D	85.1	Confident	71.2	Confident	85 Å²	85	74.5 Å²	74.5	46%	0.455	38%	0.381	S	S	.	.	H	α-helix	trans	-66.8	-42.7	179.4	-64.4	-21.7	0	0	0	111.1	R349 F350 C354 N355 E356	R349-D352 HydrophobicContact CB-CB 4.29Å; R349-D352 WeakPolarHBondContact CB-OD2 3.46Å; R349-D352 WeakPolarHBondContact O-CB 3.25Å; R349-D352 PolarHBondContact O-N 3.21Å; F350-D352 PolarHBondContact O-N 2.84Å; D352-C354 VanDerWaalsContact C-N 3.28Å; D352-C354 PolarHBondContact O-N 2.85Å; D352-N355 PolarHBondContact O-N 3.45Å; D352-E356 PolarHBondContact O-N 3.36Å
353	A	85.1	Confident	73.8	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.008	36%	0.362	C	S	.	.	H	α-helix	trans	-62.4	-35.6	174.6	0	0	0	0	0	112.2	E348 R349 F350 Y357 L519	E348-A353 HydrophobicContact CG-CB 4.38Å; R349-A353 PolarHBondContact O-N 3.48Å; R349-A353 VanDerWaalsContact O-N 3.1Å; F350-A353 PolarHBondContact O-N 3.44Å; A353-Y357 VanDerWaalsContact O-CB 3.29Å; A353-Y357 WeakPolarHBondContact O-CB 3.46Å; A353-Y357 PolarHBondContact O-N 3.47Å; A353-L519 HydrophobicContact CB-CD1 4.29Å; A353-L519 HydrophobicContact CB-CD2 4.06Å; A353-L519 HydrophobicContact CB-CG 4.04Å
354	C	88.4	Confident	76.3	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-69	-40.5	174.6	-67.7	0	0	0	0	112.4	F264 F317 F350 R351 D352 Y357 M358	F264-C354 HydrophobicContact CE2-CB 4.21Å; F264-C354 HydrophobicContact CZ-CB 4.25Å; F317-C354 HydrophobicContact CE2-CB 3.59Å; F317-C354 HydrophobicContact CZ-CB 4.04Å; F350-C354 WeakPolarHBondContact CE2-SG 3.26Å; F350-C354 WeakPolarHBondContact CZ-SG 3.36Å; F350-C354 PolarHBondContact O-N 2.94Å; F350-C354 PolarHBondContact O-SG 2.85Å; R351-C354 WeakPolarHBondContact O-CB 3.35Å; R351-C354 PolarHBondContact O-N 3.48Å; D352-C354 VanDerWaalsContact C-N 3.28Å; D352-C354 PolarHBondContact O-N 2.85Å; C354-Y357 WeakPolarHBondContact O-CB 3.25Å; C354-Y357 PolarHBondContact O-N 3.21Å; C354-M358 HydrophobicContact CB-CE 4.36Å; C354-M358 WeakPolarHBondContact O-CG 3.42Å; C354-M358 PolarHBondContact O-N 3.09Å
355	N	87	Confident	78.9	Confident	88 Å²	88	61 Å²	61	47%	0.471	30%	0.299	S	S	.	.	H	α-helix	trans	-64.2	-43.9	176.8	-70.5	-24.8	0	0	0	111.4	R351 D352 M358 C359	R351-N355 VanDerWaalsContact O-CG 3.28Å; R351-N355 PolarHBondContact O-N 3.15Å; R351-N355 PolarHBondContact O-ND2 2.93Å; D352-N355 PolarHBondContact O-N 3.45Å; N355-M358 PolarHBondContact O-N 3.12Å; N355-C359 WeakPolarHBondContact O-CB 3.27Å; N355-C359 PolarHBondContact O-N 3.12Å; N355-C359 VanDerWaalsContact O-N 3.07Å
356	E	85.6	Confident	81.1	Confident	75 Å²	75	56.2 Å²	56.2	35%	0.35	27%	0.268	S	S	.	.	H	α-helix	trans	-57.3	-50.3	172.1	-173.9	-163	-174.4	0	0	110.6	D352 M358 C359 L360 S518	D352-E356 PolarHBondContact O-N 3.36Å; E356-M358 PolarHBondContact O-N 3.24Å; E356-C359 PolarHBondContact O-N 3Å; E356-L360 HydrophobicContact CG-CD1 3.84Å; E356-L360 HydrophobicContact CG-CG 4.49Å; E356-L360 WeakPolarHBondContact O-CB 3.34Å; E356-L360 WeakPolarHBondContact O-CG 3.47Å; E356-L360 PolarHBondContact O-N 2.85Å; E356-S518 PolarHBondContact OE2-OG 2.82Å
357	Y	88.6	Confident	83.3	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-55	-51.5	177.9	171.8	-90.8	0	0	0	112	F264 A353 C354 C359 L360 H361 L517 L519 T523 Y524	F264-Y357 HydrophobicContact CD1-CD1 4.27Å; F264-Y357 AromaticContact CD1-CE1 3.76Å; F264-Y357 HydrophobicContact CD1-CE1 3.76Å; F264-Y357 HydrophobicContact CD2-CD1 4.17Å; F264-Y357 HydrophobicContact CD2-CE1 4.11Å; F264-Y357 AromaticContact CE1-CD1 3.94Å; F264-Y357 HydrophobicContact CE1-CD1 3.94Å; F264-Y357 AromaticContact CE1-CE1 3.84Å; F264-Y357 HydrophobicContact CE1-CE1 3.84Å; F264-Y357 AromaticContact CE2-CD1 3.83Å; F264-Y357 HydrophobicContact CE2-CD1 3.83Å; F264-Y357 HydrophobicContact CE2-CE1 4.18Å; F264-Y357 HydrophobicContact CE2-CG 4.5Å; F264-Y357 HydrophobicContact CG-CD1 4.37Å; F264-Y357 AromaticContact CG-CE1 3.89Å; F264-Y357 HydrophobicContact CG-CE1 3.89Å; F264-Y357 AromaticContact CZ-CD1 3.7Å; F264-Y357 HydrophobicContact CZ-CD1 3.7Å; F264-Y357 HydrophobicContact CZ-CE1 4.05Å; F264-Y357 PolarHBondContact O-OH 3.13Å; A353-Y357 VanDerWaalsContact O-CB 3.29Å; A353-Y357 WeakPolarHBondContact O-CB 3.46Å; A353-Y357 PolarHBondContact O-N 3.47Å; C354-Y357 WeakPolarHBondContact O-CB 3.25Å; C354-Y357 PolarHBondContact O-N 3.21Å; Y357-C359 VanDerWaalsContact C-N 3.34Å; Y357-C359 PolarHBondContact O-N 3.18Å; Y357-L360 PolarHBondContact O-N 2.9Å; Y357-H361 HydrophobicContact CE1-CB 4.47Å; Y357-H361 WeakPolarHBondContact O-CB 3.31Å; Y357-H361 PolarHBondContact O-N 2.69Å; Y357-L517 HydrophobicContact CD2-CD1 3.88Å; Y357-L517 HydrophobicContact CE2-CD1 4Å; Y357-L519 HydrophobicContact CD2-CB 4.33Å; Y357-L519 HydrophobicContact CG-CD1 4.4Å; Y357-T523 HydrophobicContact CD2-CG2 4.34Å; Y357-T523 HydrophobicContact CE2-CG2 3.89Å; Y357-Y524 HydrophobicContact CE2-CE2 4.46Å
358	M	87.7	Confident	85.1	Confident	67 Å²	67	44.8 Å²	44.8	33%	0.33	21%	0.208	S	C	.	.	H	α-helix	trans	-62	-41.7	-178.6	-71.2	-171.4	-130.2	0	0	112.1	F264 F317 C354 N355 E356 K362	F264-M358 HydrophobicContact CE1-CE 4.35Å; F264-M358 HydrophobicContact CE1-CG 4.19Å; F264-M358 HydrophobicContact CZ-CE 3.95Å; F264-M358 HydrophobicContact CZ-CG 4.12Å; F317-M358 HydrophobicContact CE2-CE 4.36Å; C354-M358 HydrophobicContact CB-CE 4.36Å; C354-M358 WeakPolarHBondContact O-CG 3.42Å; C354-M358 PolarHBondContact O-N 3.09Å; N355-M358 PolarHBondContact O-N 3.12Å; E356-M358 PolarHBondContact O-N 3.24Å; M358-K362 VanDerWaalsContact O-CB 3.26Å; M358-K362 WeakPolarHBondContact O-CB 3.44Å; M358-K362 PolarHBondContact O-N 3.29Å
359	C	85.8	Confident	86.5	Confident	51 Å²	51	46.7 Å²	46.7	35%	0.345	21%	0.213	S	C	.	.	H	α-helix	trans	-63.9	-50.8	179	-173.9	0	0	0	0	111.6	N355 E356 Y357 K362 N363 T437	N355-C359 WeakPolarHBondContact O-CB 3.27Å; N355-C359 PolarHBondContact O-N 3.12Å; N355-C359 VanDerWaalsContact O-N 3.07Å; E356-C359 PolarHBondContact O-N 3Å; Y357-C359 VanDerWaalsContact C-N 3.34Å; Y357-C359 PolarHBondContact O-N 3.18Å; C359-K362 PolarHBondContact O-N 3.35Å; C359-N363 PolarHBondContact O-N 3.26Å; C359-N363 PolarHBondContact O-ND2 3.18Å; C359-T437 PolarHBondContact SG-OG1 2.94Å
360	L	86.9	Confident	86.9	Confident	47 Å²	47	37.9 Å²	37.9	25%	0.246	18%	0.179	C	C	.	.	H	α-helix	trans	-66	-39.8	179.8	-69.9	175.7	0	0	0	111.7	E356 Y357 N363 F364 L517	E356-L360 HydrophobicContact CG-CD1 3.84Å; E356-L360 HydrophobicContact CG-CG 4.49Å; E356-L360 WeakPolarHBondContact O-CB 3.34Å; E356-L360 WeakPolarHBondContact O-CG 3.47Å; E356-L360 PolarHBondContact O-N 2.85Å; Y357-L360 PolarHBondContact O-N 2.9Å; L360-N363 PolarHBondContact O-N 3.19Å; L360-F364 VanDerWaalsContact O-CB 3.29Å; L360-F364 WeakPolarHBondContact O-CB 3.32Å; L360-F364 PolarHBondContact O-N 2.68Å; L360-L517 HydrophobicContact CB-CD2 3.55Å; L360-L517 HydrophobicContact CD1-CD2 3.41Å; L360-L517 VanDerWaalsContact CD1-CD2 3.41Å; L360-L517 HydrophobicContact CG-CD2 4.12Å
361	H	88.7	Confident	87	Confident	3 Å²	3	37.3 Å²	37.3	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-61.4	-47.3	175.5	-172.8	83.3	0	0	0	111.7	A258 S260 K266 Y357 N363 F364 F365	A258-H361 PolarHBondContact O-CE1 3.04Å; A258-H361 PolarHBondContact O-NE2 2.95Å; S260-H361 PolarHBondContact O-NE2 2.8Å; K266-H361 WeakPolarHBondContact CE-CE1 3.3Å; Y357-H361 HydrophobicContact CE1-CB 4.47Å; Y357-H361 WeakPolarHBondContact O-CB 3.31Å; Y357-H361 PolarHBondContact O-N 2.69Å; H361-N363 VanDerWaalsContact C-N 3.35Å; H361-N363 PolarHBondContact O-N 2.93Å; H361-F364 PolarHBondContact O-N 2.93Å; H361-F365 AromaticContact CD2-CD2 3.9Å; H361-F365 AromaticContact CE1-CD2 3.44Å; H361-F365 VanDerWaalsContact CE1-CD2 3.44Å; H361-F365 WeakPolarHBondContact CE1-CD2 3.39Å; H361-F365 AromaticContact CE1-CE2 3.03Å; H361-F365 WeakPolarHBondContact CE1-CE2 2.96Å; H361-F365 AromaticContact CE1-CZ 3.98Å; H361-F365 AromaticContact ND1-CD2 3.84Å; H361-F365 AromaticContact ND1-CE2 3.59Å; H361-F365 AromaticContact NE2-CD2 3.47Å; H361-F365 WeakPolarHBondContact NE2-CD2 3.29Å; H361-F365 AromaticContact NE2-CE2 3.5Å; H361-F365 WeakPolarHBondContact NE2-CE2 3.5Å; H361-F365 WeakPolarHBondContact O-CD2 3.37Å; H361-F365 PolarHBondContact O-N 3.38Å
362	K	86.5	Confident	86.8	Confident	121 Å²	121	33.7 Å²	33.7	53%	0.526	17%	0.167	S	C	.	.	H	α-helix	trans	-59.8	-45	177.2	-175.3	179.5	177.3	-175.6	0	111.5	M358 C359 F366	M358-K362 VanDerWaalsContact O-CB 3.26Å; M358-K362 WeakPolarHBondContact O-CB 3.44Å; M358-K362 PolarHBondContact O-N 3.29Å; C359-K362 PolarHBondContact O-N 3.35Å; K362-F366 WeakPolarHBondContact O-CB 3.24Å; K362-F366 PolarHBondContact O-N 3.5Å
363	N	86.7	Confident	86.6	Confident	18 Å²	18	30.1 Å²	30.1	10%	0.096	15%	0.148	C	C	.	.	H	α-helix	trans	-65.4	-41.3	177.6	-75.1	-23.4	0	0	0	112.4	C359 L360 H361 F366 G367 T437 L510	C359-N363 PolarHBondContact O-N 3.26Å; C359-N363 PolarHBondContact O-ND2 3.18Å; L360-N363 PolarHBondContact O-N 3.19Å; H361-N363 VanDerWaalsContact C-N 3.35Å; H361-N363 PolarHBondContact O-N 2.93Å; N363-F366 PolarHBondContact O-N 3.33Å; N363-G367 PolarHBondContact O-N 3.44Å; N363-T437 PolarHBondContact ND2-OG1 3.49Å; N363-T437 PolarHBondContact OD1-N 3.09Å; N363-T437 PolarHBondContact OD1-OG1 3.4Å; N363-L510 HydrophobicContact CB-CD2 3.97Å
364	F	89.5	Confident	86.3	Confident	6 Å²	6	30.8 Å²	30.8	3%	0.026	15%	0.151	C	C	.	.	H	α-helix	trans	-60.4	-52.2	177.7	-177.1	-98	0	0	0	111.5	L360 H361 F366 G367 I368 Y391 M394 Q395 L510 L511 Q512 P514	L360-F364 VanDerWaalsContact O-CB 3.29Å; L360-F364 WeakPolarHBondContact O-CB 3.32Å; L360-F364 PolarHBondContact O-N 2.68Å; H361-F364 PolarHBondContact O-N 2.93Å; F364-F366 PolarHBondContact O-N 2.72Å; F364-G367 PolarHBondContact O-N 3.39Å; F364-I368 HydrophobicContact CD1-CD1 3.74Å; F364-I368 HydrophobicContact CD1-CG1 4.48Å; F364-I368 HydrophobicContact CE1-CD1 3.23Å; F364-I368 HydrophobicContact CE1-CG1 4.26Å; F364-I368 HydrophobicContact CZ-CD1 3.71Å; F364-I368 WeakPolarHBondContact O-CG1 3.47Å; F364-I368 PolarHBondContact O-N 3.43Å; F364-Y391 HydrophobicContact CE1-CD2 4.2Å; F364-Y391 HydrophobicContact CE1-CE2 4.26Å; F364-M394 HydrophobicContact CE2-CB 3.98Å; F364-M394 HydrophobicContact CZ-CB 3.77Å; F364-Q395 HydrophobicContact CZ-CG 4Å; F364-L510 WeakPolarHBondContact CA-O 3.33Å; F364-L511 HydrophobicContact CD2-CD2 4.15Å; F364-L511 HydrophobicContact CE2-CD2 4.3Å; F364-L511 WeakPolarHBondContact O-CD2 3.42Å; F364-Q512 VanDerWaalsContact CD2-O 3.3Å; F364-Q512 WeakPolarHBondContact CD2-O 2.97Å; F364-P514 HydrophobicContact CE1-CG 4.26Å; F364-P514 HydrophobicContact CE2-CG 4.29Å; F364-P514 HydrophobicContact CZ-CG 4.06Å
365	F	88.2	Confident	85.9	Confident	7 Å²	7	31.5 Å²	31.5	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-71.1	-30.6	180	-82.3	-83.9	0	0	0	113.5	A258 S259 H361 I368 R369 F387 Y391	A258-F365 VanDerWaalsContact C-CE1 3.47Å; A258-F365 HydrophobicContact CB-CE1 3.71Å; A258-F365 HydrophobicContact CB-CZ 3.67Å; A258-F365 VanDerWaalsContact O-CE2 3.24Å; A258-F365 WeakPolarHBondContact O-CE2 3.41Å; A258-F365 WeakPolarHBondContact O-CZ 3.03Å; S259-F365 VanDerWaalsContact CA-CD1 3.5Å; H361-F365 AromaticContact CD2-CD2 3.9Å; H361-F365 AromaticContact CE1-CD2 3.44Å; H361-F365 VanDerWaalsContact CE1-CD2 3.44Å; H361-F365 WeakPolarHBondContact CE1-CD2 3.39Å; H361-F365 AromaticContact CE1-CE2 3.03Å; H361-F365 WeakPolarHBondContact CE1-CE2 2.96Å; H361-F365 AromaticContact CE1-CZ 3.98Å; H361-F365 AromaticContact ND1-CD2 3.84Å; H361-F365 AromaticContact ND1-CE2 3.59Å; H361-F365 AromaticContact NE2-CD2 3.47Å; H361-F365 WeakPolarHBondContact NE2-CD2 3.29Å; H361-F365 AromaticContact NE2-CE2 3.5Å; H361-F365 WeakPolarHBondContact NE2-CE2 3.5Å; H361-F365 WeakPolarHBondContact O-CD2 3.37Å; H361-F365 PolarHBondContact O-N 3.38Å; F365-I368 PolarHBondContact O-N 2.92Å; F365-R369 VanDerWaalsContact O-CG 3.31Å; F365-R369 WeakPolarHBondContact O-CG 3.44Å; F365-R369 PolarHBondContact O-N 3.2Å; F365-F387 AromaticContact CD1-CZ 3.87Å; F365-F387 HydrophobicContact CD1-CZ 3.87Å; F365-F387 HydrophobicContact CE1-CE1 4.33Å; F365-F387 AromaticContact CE1-CZ 3.85Å; F365-F387 HydrophobicContact CE1-CZ 3.85Å; F365-Y391 AromaticContact CE1-CD2 3.94Å; F365-Y391 HydrophobicContact CE1-CD2 3.94Å; F365-Y391 AromaticContact CE1-CE2 3.93Å; F365-Y391 HydrophobicContact CE1-CE2 3.93Å; F365-Y391 HydrophobicContact CE2-CE2 4.4Å; F365-Y391 AromaticContact CZ-CD2 3.93Å; F365-Y391 HydrophobicContact CZ-CD2 3.93Å; F365-Y391 AromaticContact CZ-CE2 3.46Å; F365-Y391 HydrophobicContact CZ-CE2 3.46Å; F365-Y391 VanDerWaalsContact CZ-CE2 3.46Å
366	F	86.7	Confident	85	Confident	18 Å²	18	35 Å²	35	8%	0.079	17%	0.166	C	C	.	.	H	α-helix	trans	-60.8	-49	168.4	178.3	-97.9	0	0	0	110.8	K362 N363 F364 I368 R369 V370 I431 K434 P436 L441 L510	K362-F366 WeakPolarHBondContact O-CB 3.24Å; K362-F366 PolarHBondContact O-N 3.5Å; N363-F366 PolarHBondContact O-N 3.33Å; F364-F366 PolarHBondContact O-N 2.72Å; F366-I368 VanDerWaalsContact C-N 3.34Å; F366-I368 PolarHBondContact O-N 3.39Å; F366-R369 PolarHBondContact O-N 3.03Å; F366-R369 VanDerWaalsContact O-N 3.15Å; F366-V370 HydrophobicContact CD1-CG2 4.33Å; F366-V370 HydrophobicContact CE1-CG2 3.81Å; F366-V370 HydrophobicContact CE2-CG2 4.02Å; F366-V370 HydrophobicContact CZ-CG2 3.62Å; F366-V370 WeakPolarHBondContact O-CG2 3.35Å; F366-V370 PolarHBondContact O-N 2.86Å; F366-I431 HydrophobicContact CE1-CG1 4.4Å; F366-I431 HydrophobicContact CZ-CB 4.33Å; F366-I431 HydrophobicContact CZ-CG1 3.71Å; F366-K434 HydrophobicContact CD2-CB 4.3Å; F366-K434 WeakPolarHBondContact CD2-O 3.49Å; F366-K434 HydrophobicContact CE2-CB 4.27Å; F366-K434 WeakPolarHBondContact CE2-O 3.38Å; F366-P436 HydrophobicContact CD1-CB 3.78Å; F366-P436 HydrophobicContact CD1-CG 4.16Å; F366-P436 HydrophobicContact CE1-CB 3.79Å; F366-P436 HydrophobicContact CE1-CG 3.62Å; F366-P436 HydrophobicContact CZ-CG 4.19Å; F366-L441 HydrophobicContact CE1-CD2 3.82Å; F366-L510 HydrophobicContact CD1-CD1 4.33Å
367	G	88.1	Confident	83.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.9	-45.3	175.1	0	0	0	0	0	112.6	N363 F364 R369 V370 L371 F507	N363-G367 PolarHBondContact O-N 3.44Å; F364-G367 PolarHBondContact O-N 3.39Å; G367-R369 VanDerWaalsContact C-N 3.34Å; G367-R369 PolarHBondContact O-N 3.16Å; G367-V370 PolarHBondContact O-N 3.28Å; G367-L371 WeakPolarHBondContact O-CB 3.26Å; G367-L371 PolarHBondContact O-N 3.13Å; G367-F507 WeakPolarHBondContact O-CE1 3.28Å
368	I	88.6	Confident	82.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-42.2	177.8	-65.4	175.3	0	0	0	110.8	F364 F365 F366 L371 S372 F387 I390 Y391 M394 L511	F364-I368 HydrophobicContact CD1-CD1 3.74Å; F364-I368 HydrophobicContact CD1-CG1 4.48Å; F364-I368 HydrophobicContact CE1-CD1 3.23Å; F364-I368 HydrophobicContact CE1-CG1 4.26Å; F364-I368 HydrophobicContact CZ-CD1 3.71Å; F364-I368 WeakPolarHBondContact O-CG1 3.47Å; F364-I368 PolarHBondContact O-N 3.43Å; F365-I368 PolarHBondContact O-N 2.92Å; F366-I368 VanDerWaalsContact C-N 3.34Å; F366-I368 PolarHBondContact O-N 3.39Å; I368-L371 PolarHBondContact O-N 3.29Å; I368-S372 VanDerWaalsContact O-CB 3.25Å; I368-S372 WeakPolarHBondContact O-CB 2.96Å; I368-S372 PolarHBondContact O-N 3.36Å; I368-F387 HydrophobicContact CB-CE2 4.05Å; I368-F387 HydrophobicContact CB-CZ 4.38Å; I368-F387 HydrophobicContact CD1-CZ 4.5Å; I368-F387 HydrophobicContact CG2-CD2 3.69Å; I368-F387 HydrophobicContact CG2-CE2 3.15Å; I368-F387 HydrophobicContact CG2-CZ 3.64Å; I368-I390 HydrophobicContact CG2-CB 4.43Å; I368-I390 HydrophobicContact CG2-CG2 3.89Å; I368-Y391 HydrophobicContact CD1-CD2 3.85Å; I368-M394 HydrophobicContact CG1-CG 4.21Å; I368-L511 HydrophobicContact CG1-CD2 3.64Å
369	R	84.8	Confident	80.9	Confident	99 Å²	99	33.4 Å²	33.4	37%	0.374	17%	0.167	S	C	.	.	H	α-helix	trans	-61.6	-48.5	179.1	-75.6	175.8	-178.2	-144.1	0.6	111.6	F365 F366 G367 S372 V373	F365-R369 VanDerWaalsContact O-CG 3.31Å; F365-R369 WeakPolarHBondContact O-CG 3.44Å; F365-R369 PolarHBondContact O-N 3.2Å; F366-R369 PolarHBondContact O-N 3.03Å; F366-R369 VanDerWaalsContact O-N 3.15Å; G367-R369 VanDerWaalsContact C-N 3.34Å; G367-R369 PolarHBondContact O-N 3.16Å; R369-S372 PolarHBondContact O-N 3.46Å; R369-V373 PolarHBondContact O-N 3.28Å
370	V	84.9	Confident	79.4	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.8	-41.8	178.9	-173.4	0	0	0	0	110.7	F366 G367 S372 V373 L374 C427 L441 F507	F366-V370 HydrophobicContact CD1-CG2 4.33Å; F366-V370 HydrophobicContact CE1-CG2 3.81Å; F366-V370 HydrophobicContact CE2-CG2 4.02Å; F366-V370 HydrophobicContact CZ-CG2 3.62Å; F366-V370 WeakPolarHBondContact O-CG2 3.35Å; F366-V370 PolarHBondContact O-N 2.86Å; G367-V370 PolarHBondContact O-N 3.28Å; V370-S372 VanDerWaalsContact C-N 3.3Å; V370-S372 PolarHBondContact O-N 2.87Å; V370-V373 PolarHBondContact O-N 3.37Å; V370-L374 PolarHBondContact O-N 2.76Å; V370-L374 VanDerWaalsContact O-N 3.08Å; V370-C427 HydrophobicContact CG1-CB 3.93Å; V370-L441 HydrophobicContact CB-CD2 4.33Å; V370-L441 HydrophobicContact CG1-CD2 4.11Å; V370-L441 HydrophobicContact CG2-CD2 4.23Å; V370-F507 HydrophobicContact CB-CE1 4.15Å; V370-F507 HydrophobicContact CB-CZ 4.19Å; V370-F507 HydrophobicContact CG1-CE1 4.36Å; V370-F507 HydrophobicContact CG1-CZ 3.89Å
371	L	86.4	Confident	78.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.7	-37.5	176.2	-174.6	62.7	0	0	0	111.8	G367 I368 V373 L374 N375 L379 F383 I390 M394 W405 F409 F507 L511	G367-L371 WeakPolarHBondContact O-CB 3.26Å; G367-L371 PolarHBondContact O-N 3.13Å; I368-L371 PolarHBondContact O-N 3.29Å; L371-V373 VanDerWaalsContact C-N 3.33Å; L371-V373 PolarHBondContact O-N 3.22Å; L371-L374 PolarHBondContact O-N 3.24Å; L371-N375 WeakPolarHBondContact O-CB 3.41Å; L371-N375 PolarHBondContact O-N 3.4Å; L371-L379 HydrophobicContact CD1-CD1 3.63Å; L371-F383 HydrophobicContact CD2-CD1 4.39Å; L371-I390 HydrophobicContact CD2-CG2 3.98Å; L371-M394 HydrophobicContact CD2-CE 3.73Å; L371-M394 HydrophobicContact CD2-SD 4.05Å; L371-W405 HydrophobicContact CD2-CH2 4.44Å; L371-W405 HydrophobicContact CD2-CZ3 4.21Å; L371-F409 HydrophobicContact CD1-CZ 4.04Å; L371-F507 HydrophobicContact CB-CD1 4.31Å; L371-F507 HydrophobicContact CB-CE1 3.8Å; L371-F507 HydrophobicContact CB-CZ 4.34Å; L371-F507 HydrophobicContact CD1-CE1 4.44Å; L371-F507 HydrophobicContact CD1-CZ 4.48Å; L371-L511 HydrophobicContact CD2-CD1 3.91Å
372	S	83.4	Confident	77.5	Confident	22 Å²	22	46.9 Å²	46.9	15%	0.154	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-37.5	177.4	-176.7	0	0	0	0	112.1	I368 R369 V370 N375 K376	I368-S372 VanDerWaalsContact O-CB 3.25Å; I368-S372 WeakPolarHBondContact O-CB 2.96Å; I368-S372 PolarHBondContact O-N 3.36Å; R369-S372 PolarHBondContact O-N 3.46Å; V370-S372 VanDerWaalsContact C-N 3.3Å; V370-S372 PolarHBondContact O-N 2.87Å; S372-N375 PolarHBondContact O-N 2.9Å; S372-K376 WeakPolarHBondContact O-CG 3.48Å; S372-K376 PolarHBondContact O-N 3.01Å
373	V	81.2	Confident	77.1	Confident	10 Å²	10	41.2 Å²	41.2	6%	0.061	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-47.4	173.1	173.4	0	0	0	0	110.6	R369 V370 L371 N375 K376 T423 E426 C427 L430	R369-V373 PolarHBondContact O-N 3.28Å; V370-V373 PolarHBondContact O-N 3.37Å; L371-V373 VanDerWaalsContact C-N 3.33Å; L371-V373 PolarHBondContact O-N 3.22Å; V373-N375 PolarHBondContact O-N 3.44Å; V373-K376 PolarHBondContact O-N 3.47Å; V373-T423 HydrophobicContact CG1-CG2 3.98Å; V373-T423 WeakPolarHBondContact O-CG2 3.45Å; V373-E426 HydrophobicContact CG1-CB 3.89Å; V373-E426 HydrophobicContact CG1-CG 3.82Å; V373-E426 HydrophobicContact CG2-CG 4.28Å; V373-C427 VanDerWaalsContact CG1-SG 3.53Å; V373-L430 HydrophobicContact CG2-CD1 3.71Å
374	L	78.9	Confident	76.6	Confident	15 Å²	15	41.2 Å²	41.2	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-59.9	-34.7	175	-69.6	171.6	0	0	0	112.7	V370 L371 L379 T423 F507	V370-L374 PolarHBondContact O-N 2.76Å; V370-L374 VanDerWaalsContact O-N 3.08Å; L371-L374 PolarHBondContact O-N 3.24Å; L374-L379 HydrophobicContact CB-CD1 3.87Å; L374-T423 HydrophobicContact CD2-CG2 4.12Å; L374-F507 HydrophobicContact CD1-CE2 3.45Å; L374-F507 VanDerWaalsContact CD1-CE2 3.45Å; L374-F507 HydrophobicContact CD1-CZ 3.44Å; L374-F507 VanDerWaalsContact CD1-CZ 3.44Å
375	N	80.2	Confident	75.9	Confident	15 Å²	15	45.9 Å²	45.9	8%	0.08	23%	0.232	C	C	.	.	H	α-helix	trans	-78.6	-30	-177.9	-171.2	56.4	0	0	0	113.5	L371 S372 V373 G377 R378 L379 G384 I390	L371-N375 WeakPolarHBondContact O-CB 3.41Å; L371-N375 PolarHBondContact O-N 3.4Å; S372-N375 PolarHBondContact O-N 2.9Å; V373-N375 PolarHBondContact O-N 3.44Å; N375-G377 CarbonylContact O-C 3.58Å; N375-G377 PolarHBondContact O-N 3.24Å; N375-R378 PolarHBondContact O-N 2.91Å; N375-L379 HydrophobicContact CB-CB 4.44Å; N375-L379 HydrophobicContact CB-CD1 4.24Å; N375-L379 WeakPolarHBondContact OD1-CB 3.26Å; N375-G384 PolarHBondContact ND2-O 3.02Å; N375-I390 HydrophobicContact CB-CD1 4.2Å
376	K	67.2	Low	75.2	Confident	162 Å²	162	47.2 Å²	47.2	70%	0.704	24%	0.241	S	C	*	.	H	α-helix	trans	-53.3	-27.7	175.3	-83.8	179.3	-178.7	-179.4	0	112.5	S372 V373	S372-K376 WeakPolarHBondContact O-CG 3.48Å; S372-K376 PolarHBondContact O-N 3.01Å; V373-K376 PolarHBondContact O-N 3.47Å
377	G	55.7	Low	74.8	Confident	44 Å²	44	47.8 Å²	47.8	45%	0.454	24%	0.243	S	C	.	.	H	α-helix	trans	-80.9	-74.1	170.8	0	0	0	0	0	112.3	N375	N375-G377 CarbonylContact O-C 3.58Å; N375-G377 PolarHBondContact O-N 3.24Å
378	R	61.4	Low	74.4	Confident	64 Å²	64	48.4 Å²	48.4	24%	0.242	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-156.7	0.9	-139.8	-74.4	169.1	171.8	-171.4	154.5	117	N375 G380 S411 L412 M415 D416 E419	N375-R378 PolarHBondContact O-N 2.91Å; R378-G380 PolarHBondContact O-N 3.29Å; R378-S411 PolarHBondContact O-OG 3.25Å; R378-L412 HydrophobicContact CB-CD2 4.08Å; R378-M415 HydrophobicContact CB-CG 4.39Å; R378-M415 HydrophobicContact CB-SD 3.82Å; R378-M415 WeakPolarHBondContact CD-SD 3.46Å; R378-M415 HydrophobicContact CG-SD 4.07Å; R378-M415 PolarHBondContact NH2-SD 2.8Å; R378-M415 VanDerWaalsContact NH2-SD 3.43Å; R378-D416 PolarHBondContact NH2-O 2.92Å; R378-D416 VanDerWaalsContact NH2-O 3.16Å; R378-E419 IonicContact CZ-OE1 3.48Å; R378-E419 IonicContact CZ-OE2 2.77Å; R378-E419 IonicContact NE-OE2 3.95Å; R378-E419 PolarHBondContact NE-OE2 2.83Å; R378-E419 IonicContact NH1-OE1 3.24Å; R378-E419 PolarHBondContact NH1-OE1 2.97Å; R378-E419 IonicContact NH1-OE2 2.85Å; R378-E419 PolarHBondContact NH1-OE2 3.06Å; R378-E419 IonicContact NH2-OE2 2.77Å
379	L	59.8	Low	74.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-71.5	3.9	173.2	-71	169.8	0	0	0	113.4	L371 L374 N375 F383 G408 L412	L371-L379 HydrophobicContact CD1-CD1 3.63Å; L374-L379 HydrophobicContact CB-CD1 3.87Å; N375-L379 HydrophobicContact CB-CB 4.44Å; N375-L379 HydrophobicContact CB-CD1 4.24Å; N375-L379 WeakPolarHBondContact OD1-CB 3.26Å; L379-F383 HydrophobicContact CB-CD2 3.58Å; L379-F383 HydrophobicContact CB-CE2 3.8Å; L379-F383 HydrophobicContact CD1-CD2 4.25Å; L379-F383 HydrophobicContact CD1-CE2 4.19Å; L379-F383 HydrophobicContact CD2-CE2 4.1Å; L379-F383 HydrophobicContact CG-CD2 4.4Å; L379-F383 HydrophobicContact CG-CE2 4.28Å; L379-G408 WeakPolarHBondContact CD2-O 3.32Å; L379-L412 HydrophobicContact CD2-CD1 3.59Å; L379-L412 HydrophobicContact CD2-CD2 3.77Å; L379-L412 HydrophobicContact CD2-CG 3.54Å; L379-L412 HydrophobicContact CG-CD1 4.32Å; L379-L412 HydrophobicContact CG-CD2 4.01Å; L379-L412 HydrophobicContact CG-CG 4.31Å
380	G	53.2	Low	74.1	Confident	37 Å²	37	46.8 Å²	46.8	38%	0.381	25%	0.245	S	C	.	.			trans	78.9	172.4	172.9	0	0	0	0	0	113.5	R378 R382	R378-G380 PolarHBondContact O-N 3.29Å; G380-R382 PolarHBondContact O-N 2.91Å
381	R	63	Low	74.3	Confident	248 Å²	248	46.8 Å²	46.8	94%	0.936	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-2.6	173.5	-65.5	-176.3	179.7	-174.4	-0.3	114.1	G384	R381-G384 PolarHBondContact O-N 3.27Å
382	R	74	Confident	74.3	Confident	99 Å²	99	47.3 Å²	47.3	37%	0.374	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-35.9	-173.9	-65.1	176.9	173.6	-120.3	8	113.4	G380 G384 L393 E407	G380-R382 PolarHBondContact O-N 2.91Å; R382-G384 VanDerWaalsContact C-N 3.32Å; R382-L393 VanDerWaalsContact O-CD2 3.26Å; R382-L393 WeakPolarHBondContact O-CD2 3.09Å; R382-E407 IonicContact CZ-OE2 3.32Å; R382-E407 IonicContact NH1-OE2 2.73Å; R382-E407 PolarHBondContact NH1-OE2 2.97Å; R382-E407 IonicContact NH2-OE2 2.89Å; R382-E407 PolarHBondContact NH2-OE2 3.08Å; R382-E407 VanDerWaalsContact NH2-OE2 3.09Å
383	F	77.6	Confident	74.4	Confident	1 Å²	1	47 Å²	47	0%	0.004	25%	0.245	C	C	.	.	S	Bend	trans	-90.8	-0.7	175.2	-64.2	-78.8	0	0	0	113.2	L371 L379 I390 L393 M394 F399 W405 F409	L371-F383 HydrophobicContact CD2-CD1 4.39Å; L379-F383 HydrophobicContact CB-CD2 3.58Å; L379-F383 HydrophobicContact CB-CE2 3.8Å; L379-F383 HydrophobicContact CD1-CD2 4.25Å; L379-F383 HydrophobicContact CD1-CE2 4.19Å; L379-F383 HydrophobicContact CD2-CE2 4.1Å; L379-F383 HydrophobicContact CG-CD2 4.4Å; L379-F383 HydrophobicContact CG-CE2 4.28Å; F383-I390 HydrophobicContact CB-CG1 4.45Å; F383-I390 VanDerWaalsContact O-CG1 3.23Å; F383-I390 WeakPolarHBondContact O-CG1 3.45Å; F383-L393 HydrophobicContact CD1-CD2 4.3Å; F383-M394 HydrophobicContact CD1-CE 3.7Å; F383-M394 HydrophobicContact CE1-CE 4.15Å; F383-F399 AromaticContact CD1-CE1 3.82Å; F383-F399 HydrophobicContact CD1-CE1 3.82Å; F383-F399 AromaticContact CD1-CZ 3.79Å; F383-F399 HydrophobicContact CD1-CZ 3.79Å; F383-F399 AromaticContact CE1-CE1 3.7Å; F383-F399 HydrophobicContact CE1-CE1 3.7Å; F383-F399 AromaticContact CE1-CZ 3.72Å; F383-F399 HydrophobicContact CE1-CZ 3.72Å; F383-W405 HydrophobicContact CE1-CD2 4.36Å; F383-W405 AromaticContact CE1-CE3 3.56Å; F383-W405 HydrophobicContact CE1-CE3 3.56Å; F383-W405 AromaticContact CE1-CZ3 3.77Å; F383-W405 HydrophobicContact CE1-CZ3 3.77Å; F383-W405 HydrophobicContact CZ-CE3 4.2Å; F383-W405 HydrophobicContact CZ-CZ3 4.47Å; F383-F409 HydrophobicContact CZ-CD2 4.24Å; F383-F409 HydrophobicContact CZ-CE2 4.07Å
384	G	76.1	Confident	74.8	Confident	18 Å²	18	46.6 Å²	46.6	19%	0.186	24%	0.243	C	C	.	.			trans	86	-176.9	-169.7	0	0	0	0	0	112.5	N375 R381 R382	N375-G384 PolarHBondContact ND2-O 3.02Å; R381-G384 PolarHBondContact O-N 3.27Å; R382-G384 VanDerWaalsContact C-N 3.32Å
385	S	73.6	Confident	75.2	Confident	104 Å²	104	46.6 Å²	46.6	73%	0.727	24%	0.242	S	C	*	.	S	Bend	trans	-113.9	-24.3	-176	61.1	0	0	0	0	112.7	D389	S385-D389 PolarHBondContact N-OD2 3.29Å; S385-D389 PolarHBondContact OG-OD2 3.02Å
386	T	75.2	Confident	75.4	Confident	36 Å²	36	52.6 Å²	52.6	22%	0.221	26%	0.264	C	S	.	.	S	Bend	trans	-110.6	161.2	-177.6	74.1	0	0	0	0	111.6	N388 D389 I390	T386-N388 PolarHBondContact O-N 2.86Å; T386-D389 PolarHBondContact N-OD2 3.3Å; T386-D389 WeakPolarHBondContact O-CB 3.47Å; T386-D389 PolarHBondContact O-N 3.34Å; T386-D389 VanDerWaalsContact O-N 3.15Å; T386-D389 PolarHBondContact OG1-N 3.22Å; T386-D389 PolarHBondContact OG1-OD1 2.69Å; T386-D389 VanDerWaalsContact OG1-OD1 3.06Å; T386-D389 PolarHBondContact OG1-OD2 3.34Å; T386-D389 VanDerWaalsContact OG1-OD2 3.1Å; T386-I390 WeakPolarHBondContact O-CG1 3.33Å; T386-I390 PolarHBondContact O-N 3.14Å; T386-I390 VanDerWaalsContact O-N 3.15Å
387	F	77.7	Confident	75.8	Confident	29 Å²	29	49.7 Å²	49.7	13%	0.127	26%	0.261	C	S	.	.	H	α-helix	trans	-55.2	-41	172.6	179.4	-84.9	0	0	0	112	L255 F365 I368 D389 I390 Y391	L255-F387 HydrophobicContact CB-CD1 4.03Å; L255-F387 HydrophobicContact CB-CE1 4.23Å; L255-F387 HydrophobicContact CD1-CD1 3.53Å; L255-F387 HydrophobicContact CD1-CD2 3.67Å; L255-F387 HydrophobicContact CD1-CE1 3.24Å; L255-F387 HydrophobicContact CD1-CE2 3.33Å; L255-F387 HydrophobicContact CD1-CG 3.76Å; L255-F387 HydrophobicContact CD1-CZ 3.15Å; L255-F387 HydrophobicContact CD2-CD2 4.49Å; L255-F387 HydrophobicContact CD2-CG 4.33Å; L255-F387 HydrophobicContact CG-CD1 4.23Å; L255-F387 HydrophobicContact CG-CE1 4.29Å; L255-F387 HydrophobicContact CG-CG 4.45Å; F365-F387 AromaticContact CD1-CZ 3.87Å; F365-F387 HydrophobicContact CD1-CZ 3.87Å; F365-F387 HydrophobicContact CE1-CE1 4.33Å; F365-F387 AromaticContact CE1-CZ 3.85Å; F365-F387 HydrophobicContact CE1-CZ 3.85Å; I368-F387 HydrophobicContact CB-CE2 4.05Å; I368-F387 HydrophobicContact CB-CZ 4.38Å; I368-F387 HydrophobicContact CD1-CZ 4.5Å; I368-F387 HydrophobicContact CG2-CD2 3.69Å; I368-F387 HydrophobicContact CG2-CE2 3.15Å; I368-F387 HydrophobicContact CG2-CZ 3.64Å; F387-D389 VanDerWaalsContact C-N 3.32Å; F387-D389 PolarHBondContact O-N 3.11Å; F387-I390 PolarHBondContact O-N 3.18Å; F387-Y391 HydrophobicContact CE1-CD2 4.35Å; F387-Y391 HydrophobicContact CE1-CG 4.27Å; F387-Y391 VanDerWaalsContact O-CB 3.23Å; F387-Y391 WeakPolarHBondContact O-CB 3.49Å; F387-Y391 PolarHBondContact O-N 3.4Å
388	N	79.2	Confident	77.1	Confident	13 Å²	13	52.2 Å²	52.2	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-39.3	179.3	-77.8	-8.8	0	0	0	111.3	F276 T386 Y391 C392	F276-N388 WeakPolarHBondContact CE2-ND2 3.32Å; T386-N388 PolarHBondContact O-N 2.86Å; N388-Y391 PolarHBondContact O-N 3.38Å; N388-C392 VanDerWaalsContact O-CB 3.25Å; N388-C392 WeakPolarHBondContact O-CB 3.42Å; N388-C392 PolarHBondContact O-N 3.44Å; N388-C392 PolarHBondContact O-SG 3.38Å
389	D	81.8	Confident	78.4	Confident	65 Å²	65	49.6 Å²	49.6	35%	0.348	26%	0.263	S	S	.	.	H	α-helix	trans	-61.2	-50.2	176.6	-52.2	-24.5	0	0	0	110.3	S385 T386 F387 Y391 C392 L393	S385-D389 PolarHBondContact N-OD2 3.29Å; S385-D389 PolarHBondContact OG-OD2 3.02Å; T386-D389 PolarHBondContact N-OD2 3.3Å; T386-D389 WeakPolarHBondContact O-CB 3.47Å; T386-D389 PolarHBondContact O-N 3.34Å; T386-D389 VanDerWaalsContact O-N 3.15Å; T386-D389 PolarHBondContact OG1-N 3.22Å; T386-D389 PolarHBondContact OG1-OD1 2.69Å; T386-D389 VanDerWaalsContact OG1-OD1 3.06Å; T386-D389 PolarHBondContact OG1-OD2 3.34Å; T386-D389 VanDerWaalsContact OG1-OD2 3.1Å; F387-D389 VanDerWaalsContact C-N 3.32Å; F387-D389 PolarHBondContact O-N 3.11Å; D389-Y391 PolarHBondContact O-N 3.03Å; D389-C392 PolarHBondContact O-N 2.68Å; D389-L393 WeakPolarHBondContact O-CB 3.45Å; D389-L393 PolarHBondContact O-N 2.75Å
390	I	86.7	Confident	79.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-49.3	179.2	-59.5	170.2	0	0	0	109.6	I368 L371 N375 F383 T386 F387 C392 L393 M394	I368-I390 HydrophobicContact CG2-CB 4.43Å; I368-I390 HydrophobicContact CG2-CG2 3.89Å; L371-I390 HydrophobicContact CD2-CG2 3.98Å; N375-I390 HydrophobicContact CB-CD1 4.2Å; F383-I390 HydrophobicContact CB-CG1 4.45Å; F383-I390 VanDerWaalsContact O-CG1 3.23Å; F383-I390 WeakPolarHBondContact O-CG1 3.45Å; T386-I390 WeakPolarHBondContact O-CG1 3.33Å; T386-I390 PolarHBondContact O-N 3.14Å; T386-I390 VanDerWaalsContact O-N 3.15Å; F387-I390 PolarHBondContact O-N 3.18Å; I390-C392 PolarHBondContact O-N 3.08Å; I390-L393 PolarHBondContact O-N 3.45Å; I390-M394 HydrophobicContact CG2-CE 4.1Å; I390-M394 HydrophobicContact CG2-CG 4.17Å; I390-M394 VanDerWaalsContact O-CG 3.26Å; I390-M394 WeakPolarHBondContact O-CG 3.41Å; I390-M394 PolarHBondContact O-N 2.84Å
391	Y	87.6	Confident	81.1	Confident	1 Å²	1	51.2 Å²	51.2	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-56	-50.9	178.2	170.7	-95.8	0	0	0	111.7	A258 L267 I272 F364 F365 I368 F387 N388 D389 L393 M394 Q395	A258-Y391 HydrophobicContact CB-CE2 4.11Å; L267-Y391 PolarHBondContact O-OH 3.31Å; I272-Y391 HydrophobicContact CD1-CD1 4.07Å; I272-Y391 HydrophobicContact CD1-CE1 3.37Å; I272-Y391 HydrophobicContact CG1-CE1 4.26Å; F364-Y391 HydrophobicContact CE1-CD2 4.2Å; F364-Y391 HydrophobicContact CE1-CE2 4.26Å; F365-Y391 AromaticContact CE1-CD2 3.94Å; F365-Y391 HydrophobicContact CE1-CD2 3.94Å; F365-Y391 AromaticContact CE1-CE2 3.93Å; F365-Y391 HydrophobicContact CE1-CE2 3.93Å; F365-Y391 HydrophobicContact CE2-CE2 4.4Å; F365-Y391 AromaticContact CZ-CD2 3.93Å; F365-Y391 HydrophobicContact CZ-CD2 3.93Å; F365-Y391 AromaticContact CZ-CE2 3.46Å; F365-Y391 HydrophobicContact CZ-CE2 3.46Å; F365-Y391 VanDerWaalsContact CZ-CE2 3.46Å; I368-Y391 HydrophobicContact CD1-CD2 3.85Å; F387-Y391 HydrophobicContact CE1-CD2 4.35Å; F387-Y391 HydrophobicContact CE1-CG 4.27Å; F387-Y391 VanDerWaalsContact O-CB 3.23Å; F387-Y391 WeakPolarHBondContact O-CB 3.49Å; F387-Y391 PolarHBondContact O-N 3.4Å; N388-Y391 PolarHBondContact O-N 3.38Å; D389-Y391 PolarHBondContact O-N 3.03Å; Y391-L393 VanDerWaalsContact C-N 3.27Å; Y391-L393 PolarHBondContact O-N 3.03Å; Y391-M394 PolarHBondContact O-N 3.24Å; Y391-Q395 WeakPolarHBondContact O-CG 3.45Å; Y391-Q395 PolarHBondContact O-N 3.19Å; Y391-Q395 PolarHBondContact OH-NE2 3.03Å
392	C	86.6	Confident	82.3	Confident	11 Å²	11	40.8 Å²	40.8	7%	0.074	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-38.2	179.7	-76.1	0	0	0	0	111.8	A269 S273 N388 D389 I390	A269-C392 HydrophobicContact CB-CB 3.99Å; A269-C392 WeakPolarHBondContact CB-O 3.08Å; S273-C392 PolarHBondContact OG-SG 2.98Å; S273-C392 VanDerWaalsContact OG-SG 3.33Å; N388-C392 VanDerWaalsContact O-CB 3.25Å; N388-C392 WeakPolarHBondContact O-CB 3.42Å; N388-C392 PolarHBondContact O-N 3.44Å; N388-C392 PolarHBondContact O-SG 3.38Å; D389-C392 PolarHBondContact O-N 2.68Å; I390-C392 PolarHBondContact O-N 3.08Å
393	L	86.6	Confident	83	Confident	16 Å²	16	43 Å²	43	8%	0.084	25%	0.25	C	S	.	.	H	α-helix	trans	-70.5	-43.1	179.8	-164.3	64.9	0	0	0	112.1	R382 F383 D389 I390 Y391 Q395 R396 F399	R382-L393 VanDerWaalsContact O-CD2 3.26Å; R382-L393 WeakPolarHBondContact O-CD2 3.09Å; F383-L393 HydrophobicContact CD1-CD2 4.3Å; D389-L393 WeakPolarHBondContact O-CB 3.45Å; D389-L393 PolarHBondContact O-N 2.75Å; I390-L393 PolarHBondContact O-N 3.45Å; Y391-L393 VanDerWaalsContact C-N 3.27Å; Y391-L393 PolarHBondContact O-N 3.03Å; L393-Q395 VanDerWaalsContact C-N 3.25Å; L393-Q395 PolarHBondContact O-N 3.38Å; L393-R396 WeakPolarHBondContact O-CB 3.25Å; L393-R396 PolarHBondContact O-N 2.95Å; L393-R396 VanDerWaalsContact O-N 3.13Å; L393-F399 HydrophobicContact CD1-CD1 4.46Å; L393-F399 HydrophobicContact CD1-CD2 3.65Å; L393-F399 HydrophobicContact CD1-CE2 3.72Å; L393-F399 HydrophobicContact CD1-CG 4.04Å; L393-F399 HydrophobicContact CD1-CZ 4.19Å; L393-F399 HydrophobicContact CD2-CD1 4.23Å; L393-F399 HydrophobicContact CD2-CD2 4.23Å; L393-F399 HydrophobicContact CD2-CE1 3.58Å; L393-F399 HydrophobicContact CD2-CE2 3.58Å; L393-F399 HydrophobicContact CD2-CZ 3.22Å; L393-F399 HydrophobicContact CG-CD1 3.69Å; L393-F399 HydrophobicContact CG-CD2 3.73Å; L393-F399 HydrophobicContact CG-CE1 3.58Å; L393-F399 HydrophobicContact CG-CE2 3.61Å; L393-F399 HydrophobicContact CG-CG 3.77Å; L393-F399 HydrophobicContact CG-CZ 3.55Å; L393-F399 WeakPolarHBondContact O-CB 3.34Å
394	M	88.7	Confident	83.5	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.4	-26.5	178.6	-67.9	-46.5	119.3	0	0	113.7	F364 I368 L371 F383 I390 Y391 R396 F399 V400 W405 L511	F364-M394 HydrophobicContact CE2-CB 3.98Å; F364-M394 HydrophobicContact CZ-CB 3.77Å; I368-M394 HydrophobicContact CG1-CG 4.21Å; L371-M394 HydrophobicContact CD2-CE 3.73Å; L371-M394 HydrophobicContact CD2-SD 4.05Å; F383-M394 HydrophobicContact CD1-CE 3.7Å; F383-M394 HydrophobicContact CE1-CE 4.15Å; I390-M394 HydrophobicContact CG2-CE 4.1Å; I390-M394 HydrophobicContact CG2-CG 4.17Å; I390-M394 VanDerWaalsContact O-CG 3.26Å; I390-M394 WeakPolarHBondContact O-CG 3.41Å; I390-M394 PolarHBondContact O-N 2.84Å; Y391-M394 PolarHBondContact O-N 3.24Å; M394-R396 VanDerWaalsContact C-N 3.33Å; M394-F399 HydrophobicContact CE-CD1 3.87Å; M394-F399 HydrophobicContact CE-CE1 3.41Å; M394-F399 VanDerWaalsContact CE-CE1 3.41Å; M394-F399 HydrophobicContact CE-CZ 4.47Å; M394-F399 HydrophobicContact SD-CD1 4.28Å; M394-F399 HydrophobicContact SD-CE1 4.3Å; M394-V400 HydrophobicContact SD-CG2 3.93Å; M394-W405 HydrophobicContact CE-CE3 4.45Å; M394-W405 HydrophobicContact CE-CZ3 3.96Å; M394-W405 HydrophobicContact SD-CE3 4.38Å; M394-W405 HydrophobicContact SD-CZ3 3.66Å; M394-L511 HydrophobicContact CG-CD1 4.36Å; M394-L511 HydrophobicContact CG-CD2 4.21Å; M394-L511 HydrophobicContact SD-CD1 3.84Å
395	Q	87.3	Confident	84.1	Confident	16 Å²	16	46.2 Å²	46.2	8%	0.075	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-14	176.5	-67	-163	-2	0	0	114.1	A269 F364 Y391 L393 P397 P514	A269-Q395 HydrophobicContact CB-CB 3.74Å; A269-Q395 HydrophobicContact CB-CG 4.34Å; F364-Q395 HydrophobicContact CZ-CG 4Å; Y391-Q395 WeakPolarHBondContact O-CG 3.45Å; Y391-Q395 PolarHBondContact O-N 3.19Å; Y391-Q395 PolarHBondContact OH-NE2 3.03Å; L393-Q395 VanDerWaalsContact C-N 3.25Å; L393-Q395 PolarHBondContact O-N 3.38Å; Q395-P397 WeakPolarHBondContact O-CD 3.47Å; Q395-P514 HydrophobicContact CG-CG 3.95Å
396	R	84.1	Confident	84.6	Confident	140 Å²	140	48 Å²	48	53%	0.528	25%	0.252	S	S	.	.	S	Bend	trans	-65.9	121.9	179.6	-69.6	-177.4	-177.1	172.2	-1.6	109.4	L393 M394 S398 F399	L393-R396 WeakPolarHBondContact O-CB 3.25Å; L393-R396 PolarHBondContact O-N 2.95Å; L393-R396 VanDerWaalsContact O-N 3.13Å; M394-R396 VanDerWaalsContact C-N 3.33Å; R396-S398 PolarHBondContact O-N 3.28Å; R396-F399 HydrophobicContact CB-CB 3.98Å; R396-F399 PolarHBondContact O-N 3.01Å; R396-F399 VanDerWaalsContact O-N 3.08Å
397	P	75.9	Confident	85	Confident	101 Å²	101	49.4 Å²	49.4	66%	0.656	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-6	-169.4	-29.2	36.1	0	0	0	117.8	Q395	Q395-P397 WeakPolarHBondContact O-CD 3.47Å
398	S	83.6	Confident	85.4	Confident	97 Å²	97	48 Å²	48	68%	0.678	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130	1.3	-177.7	55.7	0	0	0	0	114.2	R396 S402	R396-S398 PolarHBondContact O-N 3.28Å; S398-S402 WeakPolarHBondContact O-CB 3.36Å
399	F	88.1	Confident	85.6	Confident	10 Å²	10	47.6 Å²	47.6	4%	0.044	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-50.5	-174.2	178.8	-99	0	0	0	112.3	F383 L393 M394 R396 G401 S402 E404 W405	F383-F399 AromaticContact CD1-CE1 3.82Å; F383-F399 HydrophobicContact CD1-CE1 3.82Å; F383-F399 AromaticContact CD1-CZ 3.79Å; F383-F399 HydrophobicContact CD1-CZ 3.79Å; F383-F399 AromaticContact CE1-CE1 3.7Å; F383-F399 HydrophobicContact CE1-CE1 3.7Å; F383-F399 AromaticContact CE1-CZ 3.72Å; F383-F399 HydrophobicContact CE1-CZ 3.72Å; L393-F399 HydrophobicContact CD1-CD1 4.46Å; L393-F399 HydrophobicContact CD1-CD2 3.65Å; L393-F399 HydrophobicContact CD1-CE2 3.72Å; L393-F399 HydrophobicContact CD1-CG 4.04Å; L393-F399 HydrophobicContact CD1-CZ 4.19Å; L393-F399 HydrophobicContact CD2-CD1 4.23Å; L393-F399 HydrophobicContact CD2-CD2 4.23Å; L393-F399 HydrophobicContact CD2-CE1 3.58Å; L393-F399 HydrophobicContact CD2-CE2 3.58Å; L393-F399 HydrophobicContact CD2-CZ 3.22Å; L393-F399 HydrophobicContact CG-CD1 3.69Å; L393-F399 HydrophobicContact CG-CD2 3.73Å; L393-F399 HydrophobicContact CG-CE1 3.58Å; L393-F399 HydrophobicContact CG-CE2 3.61Å; L393-F399 HydrophobicContact CG-CG 3.77Å; L393-F399 HydrophobicContact CG-CZ 3.55Å; L393-F399 WeakPolarHBondContact O-CB 3.34Å; M394-F399 HydrophobicContact CE-CD1 3.87Å; M394-F399 HydrophobicContact CE-CE1 3.41Å; M394-F399 VanDerWaalsContact CE-CE1 3.41Å; M394-F399 HydrophobicContact CE-CZ 4.47Å; M394-F399 HydrophobicContact SD-CD1 4.28Å; M394-F399 HydrophobicContact SD-CE1 4.3Å; R396-F399 HydrophobicContact CB-CB 3.98Å; R396-F399 PolarHBondContact O-N 3.01Å; R396-F399 VanDerWaalsContact O-N 3.08Å; F399-G401 PolarHBondContact O-N 3.01Å; F399-S402 WeakPolarHBondContact O-CB 3.32Å; F399-S402 PolarHBondContact O-N 3.16Å; F399-S402 PolarHBondContact O-OG 3.49Å; F399-E404 HydrophobicContact CE2-CB 4.3Å; F399-E404 HydrophobicContact CE2-CG 4Å; F399-W405 HydrophobicContact CD1-CE3 4.2Å; F399-W405 AromaticContact CE1-CE3 3.72Å; F399-W405 HydrophobicContact CE1-CE3 3.72Å; F399-W405 HydrophobicContact CE1-CZ3 4.39Å; F399-W405 WeakPolarHBondContact O-CB 3.23Å
400	V	86	Confident	85.6	Confident	31 Å²	31	47.5 Å²	47.5	19%	0.188	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	123.2	179.4	178.5	0	0	0	0	109.4	M394 S402 W405 A508 L511	M394-V400 HydrophobicContact SD-CG2 3.93Å; V400-S402 VanDerWaalsContact C-N 3.32Å; V400-W405 HydrophobicContact CG2-CE3 4.39Å; V400-W405 HydrophobicContact CG2-CZ3 4.39Å; V400-A508 HydrophobicContact CG1-CB 3.77Å; V400-L511 HydrophobicContact CG2-CB 4.4Å
401	G	84.3	Confident	85.2	Confident	40 Å²	40	50.1 Å²	50.1	41%	0.412	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	-4	-174.6	0	0	0	0	0	115.3	F399	F399-G401 PolarHBondContact O-N 3.01Å
402	S	88.5	Confident	84.8	Confident	29 Å²	29	50.2 Å²	50.2	20%	0.203	27%	0.265	C	S	.	.	S	Bend	trans	-61.4	173.4	173.9	70.7	0	0	0	0	112.9	S398 F399 V400 E404 W405 R406	S398-S402 WeakPolarHBondContact O-CB 3.36Å; F399-S402 WeakPolarHBondContact O-CB 3.32Å; F399-S402 PolarHBondContact O-N 3.16Å; F399-S402 PolarHBondContact O-OG 3.49Å; V400-S402 VanDerWaalsContact C-N 3.32Å; S402-E404 VanDerWaalsContact C-N 3.33Å; S402-E404 PolarHBondContact OG-N 3.15Å; S402-W405 PolarHBondContact OG-N 3.25Å; S402-W405 VanDerWaalsContact OG-N 3.09Å; S402-R406 PolarHBondContact O-N 3.05Å; S402-R406 PolarHBondContact O-NE 3.02Å
403	K	87.9	Confident	84.3	Confident	145 Å²	145	52.8 Å²	52.8	63%	0.63	28%	0.277	S	S	*	.	H	α-helix	trans	-61.3	-43.7	170.7	-179.2	175.6	169.7	180	0	111	W405 R406 E407	K403-W405 PolarHBondContact O-N 3.17Å; K403-R406 PolarHBondContact O-N 2.92Å; K403-E407 WeakPolarHBondContact CE-OE1 3.48Å; K403-E407 HydrophobicContact CG-CG 4.37Å; K403-E407 WeakPolarHBondContact CG-OE1 3.4Å; K403-E407 IonicContact NZ-OE1 3.65Å; K403-E407 WeakPolarHBondContact O-CB 3.44Å; K403-E407 WeakPolarHBondContact O-CG 3.5Å; K403-E407 PolarHBondContact O-N 3.47Å
404	E	87.5	Confident	83.5	Confident	86 Å²	86	55.1 Å²	55.1	40%	0.402	31%	0.305	S	S	.	.	H	α-helix	trans	-61.5	-44.4	179.3	-174.4	177.1	-170.5	0	0	112.1	F399 S402 R406 E407 G408	F399-E404 HydrophobicContact CE2-CB 4.3Å; F399-E404 HydrophobicContact CE2-CG 4Å; S402-E404 VanDerWaalsContact C-N 3.33Å; S402-E404 PolarHBondContact OG-N 3.15Å; E404-R406 PolarHBondContact O-N 3.14Å; E404-E407 PolarHBondContact O-N 3.47Å; E404-G408 PolarHBondContact O-N 2.8Å
405	W	88.4	Confident	82.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-54.3	-51.8	172.8	167.1	-86.5	0	0	0	111.9	L371 F383 M394 F399 V400 S402 K403 G408 F409 S504 F507 L511	L371-W405 HydrophobicContact CD2-CH2 4.44Å; L371-W405 HydrophobicContact CD2-CZ3 4.21Å; F383-W405 HydrophobicContact CE1-CD2 4.36Å; F383-W405 AromaticContact CE1-CE3 3.56Å; F383-W405 HydrophobicContact CE1-CE3 3.56Å; F383-W405 AromaticContact CE1-CZ3 3.77Å; F383-W405 HydrophobicContact CE1-CZ3 3.77Å; F383-W405 HydrophobicContact CZ-CE3 4.2Å; F383-W405 HydrophobicContact CZ-CZ3 4.47Å; M394-W405 HydrophobicContact CE-CE3 4.45Å; M394-W405 HydrophobicContact CE-CZ3 3.96Å; M394-W405 HydrophobicContact SD-CE3 4.38Å; M394-W405 HydrophobicContact SD-CZ3 3.66Å; F399-W405 HydrophobicContact CD1-CE3 4.2Å; F399-W405 AromaticContact CE1-CE3 3.72Å; F399-W405 HydrophobicContact CE1-CE3 3.72Å; F399-W405 HydrophobicContact CE1-CZ3 4.39Å; F399-W405 WeakPolarHBondContact O-CB 3.23Å; V400-W405 HydrophobicContact CG2-CE3 4.39Å; V400-W405 HydrophobicContact CG2-CZ3 4.39Å; S402-W405 PolarHBondContact OG-N 3.25Å; S402-W405 VanDerWaalsContact OG-N 3.09Å; K403-W405 PolarHBondContact O-N 3.17Å; W405-G408 PolarHBondContact O-N 2.91Å; W405-F409 HydrophobicContact CD2-CD2 4.46Å; W405-F409 HydrophobicContact CD2-CE2 4.04Å; W405-F409 AromaticContact CE2-CD2 3.99Å; W405-F409 AromaticContact CE2-CE2 3.46Å; W405-F409 VanDerWaalsContact CE2-CE2 3.46Å; W405-F409 HydrophobicContact CE3-CE2 4.38Å; W405-F409 AromaticContact CH2-CE2 3.59Å; W405-F409 HydrophobicContact CH2-CE2 3.59Å; W405-F409 AromaticContact CH2-CZ 3.98Å; W405-F409 HydrophobicContact CH2-CZ 3.98Å; W405-F409 HydrophobicContact CZ2-CD2 4.19Å; W405-F409 AromaticContact CZ2-CE2 3.25Å; W405-F409 HydrophobicContact CZ2-CE2 3.25Å; W405-F409 AromaticContact CZ2-CZ 3.79Å; W405-F409 HydrophobicContact CZ2-CZ 3.79Å; W405-F409 HydrophobicContact CZ3-CE2 4.16Å; W405-F409 AromaticContact NE1-CE2 3.93Å; W405-F409 WeakPolarHBondContact O-CD2 3.35Å; W405-F409 PolarHBondContact O-N 2.99Å; W405-S504 PolarHBondContact NE1-OG 2.79Å; W405-F507 HydrophobicContact CH2-CB 3.72Å; W405-F507 HydrophobicContact CH2-CG 4.48Å; W405-F507 HydrophobicContact CZ2-CB 3.66Å; W405-L511 HydrophobicContact CH2-CD1 3.83Å; W405-L511 HydrophobicContact CZ3-CD1 4.23Å
406	R	85.8	Confident	81.9	Confident	143 Å²	143	59.7 Å²	59.7	54%	0.54	33%	0.33	S	S	.	.	H	α-helix	trans	-65	-43.3	-178.2	-74.4	-177.6	-79.5	162.2	-5.9	112	S402 K403 E404 G408 F409 L410	S402-R406 PolarHBondContact O-N 3.05Å; S402-R406 PolarHBondContact O-NE 3.02Å; K403-R406 PolarHBondContact O-N 2.92Å; E404-R406 PolarHBondContact O-N 3.14Å; R406-G408 PolarHBondContact O-N 3.48Å; R406-F409 PolarHBondContact O-N 3.35Å; R406-L410 VanDerWaalsContact O-CG 3.3Å; R406-L410 WeakPolarHBondContact O-CG 3.5Å; R406-L410 PolarHBondContact O-N 3.13Å
407	E	83.9	Confident	81	Confident	65 Å²	65	56.3 Å²	56.3	30%	0.304	32%	0.321	S	S	.	.	H	α-helix	trans	-62.5	-32.9	175.7	-74.1	179	-177.3	0	0	112.3	R382 K403 E404 L410 S411	R382-E407 IonicContact CZ-OE2 3.32Å; R382-E407 IonicContact NH1-OE2 2.73Å; R382-E407 PolarHBondContact NH1-OE2 2.97Å; R382-E407 IonicContact NH2-OE2 2.89Å; R382-E407 PolarHBondContact NH2-OE2 3.08Å; R382-E407 VanDerWaalsContact NH2-OE2 3.09Å; K403-E407 WeakPolarHBondContact CE-OE1 3.48Å; K403-E407 HydrophobicContact CG-CG 4.37Å; K403-E407 WeakPolarHBondContact CG-OE1 3.4Å; K403-E407 IonicContact NZ-OE1 3.65Å; K403-E407 WeakPolarHBondContact O-CB 3.44Å; K403-E407 WeakPolarHBondContact O-CG 3.5Å; K403-E407 PolarHBondContact O-N 3.47Å; E404-E407 PolarHBondContact O-N 3.47Å; E407-L410 PolarHBondContact O-N 3.46Å; E407-S411 PolarHBondContact O-N 3.23Å
408	G	84.8	Confident	80.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-57.1	-52.2	171.1	0	0	0	0	0	112.3	L379 E404 W405 R406 L410 S411	L379-G408 WeakPolarHBondContact CD2-O 3.32Å; E404-G408 PolarHBondContact O-N 2.8Å; W405-G408 PolarHBondContact O-N 2.91Å; R406-G408 PolarHBondContact O-N 3.48Å; G408-L410 PolarHBondContact O-N 2.9Å; G408-S411 WeakPolarHBondContact O-CB 3.42Å; G408-S411 PolarHBondContact O-N 2.96Å; G408-S411 PolarHBondContact O-OG 2.9Å
409	F	84.5	Confident	80	Confident	3 Å²	3	58.7 Å²	58.7	1%	0.013	31%	0.312	C	S	.	.	H	α-helix	trans	-64.7	-40.5	176.1	-79.5	-88.7	0	0	0	112.9	L371 F383 W405 R406 S411 L412 L500 L503 F507	L371-F409 HydrophobicContact CD1-CZ 4.04Å; F383-F409 HydrophobicContact CZ-CD2 4.24Å; F383-F409 HydrophobicContact CZ-CE2 4.07Å; W405-F409 HydrophobicContact CD2-CD2 4.46Å; W405-F409 HydrophobicContact CD2-CE2 4.04Å; W405-F409 AromaticContact CE2-CD2 3.99Å; W405-F409 AromaticContact CE2-CE2 3.46Å; W405-F409 VanDerWaalsContact CE2-CE2 3.46Å; W405-F409 HydrophobicContact CE3-CE2 4.38Å; W405-F409 AromaticContact CH2-CE2 3.59Å; W405-F409 HydrophobicContact CH2-CE2 3.59Å; W405-F409 AromaticContact CH2-CZ 3.98Å; W405-F409 HydrophobicContact CH2-CZ 3.98Å; W405-F409 HydrophobicContact CZ2-CD2 4.19Å; W405-F409 AromaticContact CZ2-CE2 3.25Å; W405-F409 HydrophobicContact CZ2-CE2 3.25Å; W405-F409 AromaticContact CZ2-CZ 3.79Å; W405-F409 HydrophobicContact CZ2-CZ 3.79Å; W405-F409 HydrophobicContact CZ3-CE2 4.16Å; W405-F409 AromaticContact NE1-CE2 3.93Å; W405-F409 WeakPolarHBondContact O-CD2 3.35Å; W405-F409 PolarHBondContact O-N 2.99Å; R406-F409 PolarHBondContact O-N 3.35Å; F409-S411 PolarHBondContact O-N 3.44Å; F409-L412 WeakPolarHBondContact O-CB 3.4Å; F409-L412 PolarHBondContact O-N 3.4Å; F409-L412 VanDerWaalsContact O-N 3.09Å; F409-L500 WeakPolarHBondContact O-CD1 3.36Å; F409-L503 HydrophobicContact CD1-CD2 4.12Å; F409-L503 HydrophobicContact CD1-CG 4.31Å; F409-L503 HydrophobicContact CE1-CD2 3.98Å; F409-L503 HydrophobicContact CE1-CG 3.93Å; F409-F507 AromaticContact CE1-CD2 3.68Å; F409-F507 HydrophobicContact CE1-CD2 3.68Å; F409-F507 HydrophobicContact CE1-CE2 4.08Å; F409-F507 HydrophobicContact CZ-CB 4.19Å; F409-F507 AromaticContact CZ-CD2 3.55Å; F409-F507 HydrophobicContact CZ-CD2 3.55Å; F409-F507 HydrophobicContact CZ-CE2 4.2Å; F409-F507 HydrophobicContact CZ-CG 4.04Å
410	L	81.2	Confident	79.1	Confident	63 Å²	63	58.4 Å²	58.4	33%	0.33	31%	0.311	S	S	.	.	H	α-helix	trans	-63.5	-21.5	178.2	-68.1	173.1	0	0	0	113.1	R406 E407 G408 L412 I413 K497	R406-L410 VanDerWaalsContact O-CG 3.3Å; R406-L410 WeakPolarHBondContact O-CG 3.5Å; R406-L410 PolarHBondContact O-N 3.13Å; E407-L410 PolarHBondContact O-N 3.46Å; G408-L410 PolarHBondContact O-N 2.9Å; L410-L412 PolarHBondContact O-N 2.91Å; L410-I413 HydrophobicContact CD2-CD1 3.89Å; L410-I413 WeakPolarHBondContact O-CB 3.46Å; L410-I413 VanDerWaalsContact O-CG1 3.29Å; L410-I413 WeakPolarHBondContact O-CG1 3.22Å; L410-I413 PolarHBondContact O-N 2.91Å; L410-K497 HydrophobicContact CD2-CD 4.43Å; L410-K497 HydrophobicContact CD2-CG 3.84Å
411	S	79	Confident	78.4	Confident	55 Å²	55	59.6 Å²	59.6	39%	0.385	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-13.3	174.4	75	0	0	0	0	114.1	R378 E407 G408 F409 I413	R378-S411 PolarHBondContact O-OG 3.25Å; E407-S411 PolarHBondContact O-N 3.23Å; G408-S411 WeakPolarHBondContact O-CB 3.42Å; G408-S411 PolarHBondContact O-N 2.96Å; G408-S411 PolarHBondContact O-OG 2.9Å; F409-S411 PolarHBondContact O-N 3.44Å; S411-I413 VanDerWaalsContact C-N 3.29Å
412	L	77.8	Confident	78.1	Confident	4 Å²	4	63 Å²	63	2%	0.021	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-12.3	175	-61.4	-178.3	0	0	0	113.8	R378 L379 F409 L410 G414 M415 W448 R452 L500	R378-L412 HydrophobicContact CB-CD2 4.08Å; L379-L412 HydrophobicContact CD2-CD1 3.59Å; L379-L412 HydrophobicContact CD2-CD2 3.77Å; L379-L412 HydrophobicContact CD2-CG 3.54Å; L379-L412 HydrophobicContact CG-CD1 4.32Å; L379-L412 HydrophobicContact CG-CD2 4.01Å; L379-L412 HydrophobicContact CG-CG 4.31Å; F409-L412 WeakPolarHBondContact O-CB 3.4Å; F409-L412 PolarHBondContact O-N 3.4Å; F409-L412 VanDerWaalsContact O-N 3.09Å; L410-L412 PolarHBondContact O-N 2.91Å; L412-G414 PolarHBondContact O-N 3.27Å; L412-M415 HydrophobicContact CB-CE 4.37Å; L412-M415 HydrophobicContact CD2-CE 4.07Å; L412-M415 HydrophobicContact CD2-CG 4.45Å; L412-M415 HydrophobicContact CD2-SD 3.91Å; L412-M415 PolarHBondContact O-N 2.83Å; L412-W448 HydrophobicContact CB-CZ2 4.3Å; L412-R452 PolarHBondContact O-NH2 3.45Å; L412-L500 HydrophobicContact CB-CD1 4.4Å; L412-L500 HydrophobicContact CB-CD2 3.97Å; L412-L500 HydrophobicContact CD1-CD2 3.86Å; L412-L500 HydrophobicContact CG-CD2 4.44Å
413	I	76.4	Confident	77.6	Confident	64 Å²	64	63 Å²	63	33%	0.328	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	130.1	177.3	-64	175.6	0	0	0	108.9	L410 S411 M415 E496 K497 L500	L410-I413 HydrophobicContact CD2-CD1 3.89Å; L410-I413 WeakPolarHBondContact O-CB 3.46Å; L410-I413 VanDerWaalsContact O-CG1 3.29Å; L410-I413 WeakPolarHBondContact O-CG1 3.22Å; L410-I413 PolarHBondContact O-N 2.91Å; S411-I413 VanDerWaalsContact C-N 3.29Å; I413-M415 PolarHBondContact O-N 3.44Å; I413-E496 WeakPolarHBondContact CA-OE2 3.44Å; I413-K497 HydrophobicContact CD1-CB 4.38Å; I413-L500 HydrophobicContact CD1-CD1 4.14Å; I413-L500 HydrophobicContact CG1-CD1 3.41Å; I413-L500 VanDerWaalsContact CG1-CD1 3.41Å
414	G	69.5	Low	77	Confident	65 Å²	65	56.3 Å²	56.3	67%	0.67	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	9	-179.1	0	0	0	0	0	116.6	L412 R452 E496	L412-G414 PolarHBondContact O-N 3.27Å; G414-R452 VanDerWaalsContact N-NH2 3.12Å; G414-E496 PolarHBondContact N-OE2 3.4Å
415	M	72	Confident	76.6	Confident	29 Å²	29	55.9 Å²	55.9	14%	0.143	29%	0.293	C	S	.	.			trans	-50.5	144.9	167.6	-92.9	-155.8	-51.6	0	0	113	R378 L412 I413 F420 R452	R378-M415 HydrophobicContact CB-CG 4.39Å; R378-M415 HydrophobicContact CB-SD 3.82Å; R378-M415 WeakPolarHBondContact CD-SD 3.46Å; R378-M415 HydrophobicContact CG-SD 4.07Å; R378-M415 PolarHBondContact NH2-SD 2.8Å; R378-M415 VanDerWaalsContact NH2-SD 3.43Å; L412-M415 HydrophobicContact CB-CE 4.37Å; L412-M415 HydrophobicContact CD2-CE 4.07Å; L412-M415 HydrophobicContact CD2-CG 4.45Å; L412-M415 HydrophobicContact CD2-SD 3.91Å; L412-M415 PolarHBondContact O-N 2.83Å; I413-M415 PolarHBondContact O-N 3.44Å; M415-F420 HydrophobicContact CE-CB 3.86Å; M415-F420 HydrophobicContact CE-CD2 3.42Å; M415-F420 VanDerWaalsContact CE-CD2 3.42Å; M415-F420 HydrophobicContact CE-CE2 4.38Å; M415-F420 HydrophobicContact CE-CG 3.96Å; M415-R452 PolarHBondContact O-NH1 3.42Å
416	D	71.5	Confident	76.3	Confident	84 Å²	84	60 Å²	60	45%	0.449	31%	0.312	S	S	.	.			trans	-60.2	140	166	-179.4	66.5	0	0	0	112.3	R378 E418 E419 F420	R378-D416 PolarHBondContact NH2-O 2.92Å; R378-D416 VanDerWaalsContact NH2-O 3.16Å; D416-E418 PolarHBondContact OD2-N 2.97Å; D416-E418 VanDerWaalsContact OD2-N 3.07Å; D416-E419 PolarHBondContact OD2-N 3.45Å; D416-F420 WeakPolarHBondContact O-CB 3.47Å; D416-F420 PolarHBondContact O-N 3.19Å
417	M	65.1	Low	76.2	Confident	69 Å²	69	53.1 Å²	53.1	34%	0.34	29%	0.286	S	S	.	.	H	α-helix	trans	-72.2	-37.6	-171.9	-79.1	-63.6	-67.2	0	0	113.8	F420 D421 R452	M417-F420 WeakPolarHBondContact O-CB 3.44Å; M417-F420 PolarHBondContact O-N 2.95Å; M417-F420 HydrophobicContact SD-CD1 4.46Å; M417-D421 PolarHBondContact O-N 3.32Å; M417-R452 HydrophobicContact CE-CB 4Å; M417-R452 HydrophobicContact SD-CB 3.77Å; M417-R452 WeakPolarHBondContact SD-CD 3.44Å; M417-R452 HydrophobicContact SD-CG 4.26Å
418	E	69.4	Low	76	Confident	147 Å²	147	54.9 Å²	54.9	69%	0.687	29%	0.29	S	S	*	.	H	α-helix	trans	-69.1	-45.4	-176.2	-170.8	178.2	176.8	0	0	110.5	D416 F420 D421 N422	D416-E418 PolarHBondContact OD2-N 2.97Å; D416-E418 VanDerWaalsContact OD2-N 3.07Å; E418-F420 VanDerWaalsContact C-N 3.3Å; E418-F420 PolarHBondContact O-N 3.3Å; E418-D421 PolarHBondContact O-N 3.44Å; E418-N422 PolarHBondContact O-N 2.9Å; E418-N422 PolarHBondContact O-ND2 3.45Å
419	E	68	Low	75.9	Confident	101 Å²	101	59.6 Å²	59.6	47%	0.472	31%	0.312	S	S	.	.	H	α-helix	trans	-64.8	-34	173.8	-79.1	-175.5	-125.3	0	0	112.6	R378 D416 T423	R378-E419 IonicContact CZ-OE1 3.48Å; R378-E419 IonicContact CZ-OE2 2.77Å; R378-E419 IonicContact NE-OE2 3.95Å; R378-E419 PolarHBondContact NE-OE2 2.83Å; R378-E419 IonicContact NH1-OE1 3.24Å; R378-E419 PolarHBondContact NH1-OE1 2.97Å; R378-E419 IonicContact NH1-OE2 2.85Å; R378-E419 PolarHBondContact NH1-OE2 3.06Å; R378-E419 IonicContact NH2-OE2 2.77Å; D416-E419 PolarHBondContact OD2-N 3.45Å; E419-T423 PolarHBondContact O-N 3.42Å; E419-T423 PolarHBondContact O-OG1 3.38Å
420	F	70	Confident	75.8	Confident	4 Å²	4	62 Å²	62	2%	0.018	33%	0.325	C	S	.	.	H	α-helix	trans	-65.3	-47.5	174.8	170.4	-112.2	0	0	0	111.6	M415 D416 M417 E418 N422 T423 F424 W448	M415-F420 HydrophobicContact CE-CB 3.86Å; M415-F420 HydrophobicContact CE-CD2 3.42Å; M415-F420 VanDerWaalsContact CE-CD2 3.42Å; M415-F420 HydrophobicContact CE-CE2 4.38Å; M415-F420 HydrophobicContact CE-CG 3.96Å; D416-F420 WeakPolarHBondContact O-CB 3.47Å; D416-F420 PolarHBondContact O-N 3.19Å; M417-F420 WeakPolarHBondContact O-CB 3.44Å; M417-F420 PolarHBondContact O-N 2.95Å; M417-F420 HydrophobicContact SD-CD1 4.46Å; E418-F420 VanDerWaalsContact C-N 3.3Å; E418-F420 PolarHBondContact O-N 3.3Å; F420-N422 VanDerWaalsContact C-N 3.32Å; F420-N422 PolarHBondContact O-N 2.92Å; F420-T423 PolarHBondContact O-N 2.67Å; F420-F424 HydrophobicContact CE1-CB 4.42Å; F420-F424 HydrophobicContact CE1-CD2 4.3Å; F420-F424 HydrophobicContact CE1-CG 4.47Å; F420-F424 HydrophobicContact CE2-CB 4.07Å; F420-F424 AromaticContact CE2-CD2 3.83Å; F420-F424 HydrophobicContact CE2-CD2 3.83Å; F420-F424 HydrophobicContact CE2-CG 4.36Å; F420-F424 HydrophobicContact CZ-CB 3.99Å; F420-F424 AromaticContact CZ-CD2 3.41Å; F420-F424 HydrophobicContact CZ-CD2 3.41Å; F420-F424 VanDerWaalsContact CZ-CD2 3.41Å; F420-F424 HydrophobicContact CZ-CE2 4.1Å; F420-F424 AromaticContact CZ-CG 3.93Å; F420-F424 HydrophobicContact CZ-CG 3.93Å; F420-F424 VanDerWaalsContact O-CB 3.24Å; F420-F424 WeakPolarHBondContact O-CB 3.48Å; F420-F424 PolarHBondContact O-N 2.95Å; F420-W448 AromaticContact CD2-NE1 3.67Å; F420-W448 AromaticContact CE2-CD1 3.24Å; F420-W448 AromaticContact CE2-NE1 2.93Å; F420-W448 AromaticContact CZ-CD1 3.11Å; F420-W448 HydrophobicContact CZ-CG 4.27Å; F420-W448 AromaticContact CZ-NE1 3.15Å
421	D	71.8	Confident	75.7	Confident	56 Å²	56	59.2 Å²	59.2	30%	0.299	31%	0.31	S	S	.	.	H	α-helix	trans	-60.9	-41.7	-178	-81.7	-23.8	0	0	0	111.2	M417 E418 F424 Q425	M417-D421 PolarHBondContact O-N 3.32Å; E418-D421 PolarHBondContact O-N 3.44Å; D421-F424 PolarHBondContact O-N 2.97Å; D421-Q425 WeakPolarHBondContact O-CB 3.37Å; D421-Q425 WeakPolarHBondContact O-CG 3.47Å; D421-Q425 PolarHBondContact O-N 3.2Å
422	N	77	Confident	75.6	Confident	110 Å²	110	61.5 Å²	61.5	59%	0.588	32%	0.315	S	S	*	.	H	α-helix	trans	-59.7	-49.6	175.7	-72.4	-30.4	0	0	0	112.4	E418 F420 F424 Q425 E426	E418-N422 PolarHBondContact O-N 2.9Å; E418-N422 PolarHBondContact O-ND2 3.45Å; F420-N422 VanDerWaalsContact C-N 3.32Å; F420-N422 PolarHBondContact O-N 2.92Å; N422-F424 VanDerWaalsContact C-N 3.32Å; N422-F424 PolarHBondContact O-N 3.22Å; N422-Q425 PolarHBondContact O-N 3.47Å; N422-E426 PolarHBondContact O-N 3.4Å
423	T	77.2	Confident	75.6	Confident	31 Å²	31	69 Å²	69	19%	0.19	35%	0.347	C	S	.	.	H	α-helix	trans	-63.5	-40.9	178.9	-51.8	0	0	0	0	111.3	V373 L374 E419 F420 E426 C427	V373-T423 HydrophobicContact CG1-CG2 3.98Å; V373-T423 WeakPolarHBondContact O-CG2 3.45Å; L374-T423 HydrophobicContact CD2-CG2 4.12Å; E419-T423 PolarHBondContact O-N 3.42Å; E419-T423 PolarHBondContact O-OG1 3.38Å; F420-T423 PolarHBondContact O-N 2.67Å; T423-E426 PolarHBondContact O-N 3.4Å; T423-C427 PolarHBondContact O-N 2.92Å; T423-C427 PolarHBondContact O-SG 3.07Å; T423-C427 VanDerWaalsContact O-SG 3.36Å
424	F	77.1	Confident	75.4	Confident	4 Å²	4	71.9 Å²	71.9	2%	0.018	36%	0.357	C	S	.	.	H	α-helix	trans	-65.1	-41.5	179.7	-172.4	-89.9	0	0	0	112.1	F420 D421 N422 C427 R428 M445 K449	F420-F424 HydrophobicContact CE1-CB 4.42Å; F420-F424 HydrophobicContact CE1-CD2 4.3Å; F420-F424 HydrophobicContact CE1-CG 4.47Å; F420-F424 HydrophobicContact CE2-CB 4.07Å; F420-F424 AromaticContact CE2-CD2 3.83Å; F420-F424 HydrophobicContact CE2-CD2 3.83Å; F420-F424 HydrophobicContact CE2-CG 4.36Å; F420-F424 HydrophobicContact CZ-CB 3.99Å; F420-F424 AromaticContact CZ-CD2 3.41Å; F420-F424 HydrophobicContact CZ-CD2 3.41Å; F420-F424 VanDerWaalsContact CZ-CD2 3.41Å; F420-F424 HydrophobicContact CZ-CE2 4.1Å; F420-F424 AromaticContact CZ-CG 3.93Å; F420-F424 HydrophobicContact CZ-CG 3.93Å; F420-F424 VanDerWaalsContact O-CB 3.24Å; F420-F424 WeakPolarHBondContact O-CB 3.48Å; F420-F424 PolarHBondContact O-N 2.95Å; D421-F424 PolarHBondContact O-N 2.97Å; N422-F424 VanDerWaalsContact C-N 3.32Å; N422-F424 PolarHBondContact O-N 3.22Å; F424-C427 PolarHBondContact O-N 3.32Å; F424-R428 WeakPolarHBondContact O-CB 3.42Å; F424-R428 PolarHBondContact O-N 3.05Å; F424-M445 HydrophobicContact CD1-CE 4.44Å; F424-M445 HydrophobicContact CD2-CE 3.45Å; F424-M445 VanDerWaalsContact CD2-CE 3.45Å; F424-M445 HydrophobicContact CE1-CE 4.37Å; F424-M445 HydrophobicContact CE2-CB 3.54Å; F424-M445 HydrophobicContact CE2-CE 3.41Å; F424-M445 VanDerWaalsContact CE2-CE 3.41Å; F424-M445 HydrophobicContact CE2-CG 4.07Å; F424-M445 WeakPolarHBondContact CE2-O 3.35Å; F424-M445 HydrophobicContact CG-CE 4.01Å; F424-M445 HydrophobicContact CZ-CB 3.81Å; F424-M445 HydrophobicContact CZ-CE 3.9Å; F424-M445 WeakPolarHBondContact CZ-O 3.19Å; F424-K449 HydrophobicContact CE1-CD 4Å; F424-K449 HydrophobicContact CE2-CB 4.34Å; F424-K449 HydrophobicContact CZ-CB 4.05Å; F424-K449 HydrophobicContact CZ-CD 4.3Å
425	Q	79.1	Confident	75.2	Confident	77 Å²	77	75.2 Å²	75.2	36%	0.36	35%	0.353	S	S	.	.	H	α-helix	trans	-63.8	-40.9	176.4	-69.8	-67.2	-5.5	0	0	111.5	D421 N422 R428 Q429	D421-Q425 WeakPolarHBondContact O-CB 3.37Å; D421-Q425 WeakPolarHBondContact O-CG 3.47Å; D421-Q425 PolarHBondContact O-N 3.2Å; N422-Q425 PolarHBondContact O-N 3.47Å; Q425-R428 PolarHBondContact O-N 2.65Å; Q425-Q429 VanDerWaalsContact O-CG 3.31Å; Q425-Q429 WeakPolarHBondContact O-CG 3.29Å; Q425-Q429 PolarHBondContact O-N 3.48Å
426	E	82.3	Confident	74.9	Confident	85 Å²	85	74.4 Å²	74.4	40%	0.397	35%	0.351	S	S	.	.	H	α-helix	trans	-62	-45.1	174.5	-171.8	-179.7	171.7	0	0	111.3	V373 N422 T423 R428 Q429 L430	V373-E426 HydrophobicContact CG1-CB 3.89Å; V373-E426 HydrophobicContact CG1-CG 3.82Å; V373-E426 HydrophobicContact CG2-CG 4.28Å; N422-E426 PolarHBondContact O-N 3.4Å; T423-E426 PolarHBondContact O-N 3.4Å; E426-R428 VanDerWaalsContact C-N 3.35Å; E426-R428 PolarHBondContact O-N 2.75Å; E426-Q429 PolarHBondContact O-N 3.01Å; E426-L430 WeakPolarHBondContact O-CG 3.47Å; E426-L430 PolarHBondContact O-N 3.06Å
427	C	82	Confident	74.6	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-60.5	-41.9	174.5	-69.6	0	0	0	0	112.6	V370 V373 T423 F424 L430 I431 M445	V370-C427 HydrophobicContact CG1-CB 3.93Å; V373-C427 VanDerWaalsContact CG1-SG 3.53Å; T423-C427 PolarHBondContact O-N 2.92Å; T423-C427 PolarHBondContact O-SG 3.07Å; T423-C427 VanDerWaalsContact O-SG 3.36Å; F424-C427 PolarHBondContact O-N 3.32Å; C427-L430 WeakPolarHBondContact O-CB 3.41Å; C427-L430 PolarHBondContact O-N 3.15Å; C427-I431 WeakPolarHBondContact O-CG1 3.31Å; C427-I431 PolarHBondContact O-N 3.17Å; C427-M445 HydrophobicContact CB-CE 3.35Å; C427-M445 HydrophobicContact CB-SD 4.12Å
428	R	80.3	Confident	74.7	Confident	101 Å²	101	74.4 Å²	74.4	38%	0.381	36%	0.36	S	S	.	.	H	α-helix	trans	-63.9	-45.5	177.7	-174.8	-177.6	174.1	165.3	7.4	111.6	F424 Q425 E426 L430 I431 E432	F424-R428 WeakPolarHBondContact O-CB 3.42Å; F424-R428 PolarHBondContact O-N 3.05Å; Q425-R428 PolarHBondContact O-N 2.65Å; E426-R428 VanDerWaalsContact C-N 3.35Å; E426-R428 PolarHBondContact O-N 2.75Å; R428-L430 PolarHBondContact O-N 2.87Å; R428-I431 PolarHBondContact O-N 3.35Å; R428-I431 VanDerWaalsContact O-N 3.12Å; R428-E432 HydrophobicContact CG-CG 4.48Å; R428-E432 IonicContact CZ-OE1 2.82Å; R428-E432 IonicContact NE-OE1 3.99Å; R428-E432 PolarHBondContact NE-OE1 3.21Å; R428-E432 IonicContact NH2-OE1 3.16Å; R428-E432 WeakPolarHBondContact O-CG 3.37Å; R428-E432 PolarHBondContact O-N 2.73Å
429	Q	83.4	Confident	75.2	Confident	100 Å²	100	72.1 Å²	72.1	47%	0.467	35%	0.352	S	S	.	.	H	α-helix	trans	-59.5	-35.7	175.3	-72	178.4	14.1	0	0	111.9	Q425 E426 K433	Q425-Q429 VanDerWaalsContact O-CG 3.31Å; Q425-Q429 WeakPolarHBondContact O-CG 3.29Å; Q425-Q429 PolarHBondContact O-N 3.48Å; E426-Q429 PolarHBondContact O-N 3.01Å; Q429-K433 WeakPolarHBondContact O-CB 3.3Å; Q429-K433 VanDerWaalsContact O-CG 3.25Å; Q429-K433 WeakPolarHBondContact O-CG 3.48Å; Q429-K433 PolarHBondContact O-N 3.07Å
430	L	80.9	Confident	75.8	Confident	52 Å²	52	68.5 Å²	68.5	27%	0.272	34%	0.342	S	S	.	.	H	α-helix	trans	-66.7	-43.6	174.1	-72.4	173.7	0	0	0	112.4	V373 E426 C427 R428 K433 K434	V373-L430 HydrophobicContact CG2-CD1 3.71Å; E426-L430 WeakPolarHBondContact O-CG 3.47Å; E426-L430 PolarHBondContact O-N 3.06Å; C427-L430 WeakPolarHBondContact O-CB 3.41Å; C427-L430 PolarHBondContact O-N 3.15Å; R428-L430 PolarHBondContact O-N 2.87Å; L430-K433 PolarHBondContact O-N 2.85Å; L430-K434 PolarHBondContact O-N 3.24Å
431	I	79.4	Confident	76.4	Confident	6 Å²	6	68.4 Å²	68.4	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-61.4	-45.4	176.2	-68.1	161.3	0	0	0	110.6	F366 C427 R428 K433 K434 K435 L441 E442 M445	F366-I431 HydrophobicContact CE1-CG1 4.4Å; F366-I431 HydrophobicContact CZ-CB 4.33Å; F366-I431 HydrophobicContact CZ-CG1 3.71Å; C427-I431 WeakPolarHBondContact O-CG1 3.31Å; C427-I431 PolarHBondContact O-N 3.17Å; R428-I431 PolarHBondContact O-N 3.35Å; R428-I431 VanDerWaalsContact O-N 3.12Å; I431-K433 PolarHBondContact O-N 3.14Å; I431-K434 CarbonylContact O-C 3.5Å; I431-K434 PolarHBondContact O-N 3.44Å; I431-K435 WeakPolarHBondContact O-CA 3.33Å; I431-K435 WeakPolarHBondContact O-CG 3.44Å; I431-K435 PolarHBondContact O-N 2.77Å; I431-K435 VanDerWaalsContact O-N 3.14Å; I431-L441 HydrophobicContact CD1-CD2 4.22Å; I431-L441 HydrophobicContact CD1-CG 4.32Å; I431-L441 HydrophobicContact CG1-CD2 4.4Å; I431-E442 HydrophobicContact CG2-CB 4.38Å; I431-M445 HydrophobicContact CD1-CE 4.33Å; I431-M445 HydrophobicContact CD1-SD 3.37Å; I431-M445 WeakPolarHBondContact CD1-SD 3.31Å
432	E	77.3	Confident	76.9	Confident	103 Å²	103	68.7 Å²	68.7	48%	0.481	34%	0.341	S	S	.	.	H	α-helix	trans	-64.4	-41.4	179.8	-73.1	174.1	-177.2	0	0	111.9	R428	R428-E432 HydrophobicContact CG-CG 4.48Å; R428-E432 IonicContact CZ-OE1 2.82Å; R428-E432 IonicContact NE-OE1 3.99Å; R428-E432 PolarHBondContact NE-OE1 3.21Å; R428-E432 IonicContact NH2-OE1 3.16Å; R428-E432 WeakPolarHBondContact O-CG 3.37Å; R428-E432 PolarHBondContact O-N 2.73Å
433	K	77.8	Confident	77.3	Confident	162 Å²	162	68.6 Å²	68.6	70%	0.704	34%	0.34	S	S	*	.	H	α-helix	trans	-72	-31.7	179	-74.1	175.1	-178.4	175.1	0	113.5	Q429 L430 I431	Q429-K433 WeakPolarHBondContact O-CB 3.3Å; Q429-K433 VanDerWaalsContact O-CG 3.25Å; Q429-K433 WeakPolarHBondContact O-CG 3.48Å; Q429-K433 PolarHBondContact O-N 3.07Å; L430-K433 PolarHBondContact O-N 2.85Å; I431-K433 PolarHBondContact O-N 3.14Å
434	K	71.7	Confident	77.6	Confident	123 Å²	123	67.3 Å²	67.3	54%	0.535	33%	0.333	S	S	.	.	S	Bend	trans	-142.4	73.1	-174.7	-68.9	-169.2	177.9	-171.5	0	110.8	F366 L430 I431	F366-K434 HydrophobicContact CD2-CB 4.3Å; F366-K434 WeakPolarHBondContact CD2-O 3.49Å; F366-K434 HydrophobicContact CE2-CB 4.27Å; F366-K434 WeakPolarHBondContact CE2-O 3.38Å; L430-K434 PolarHBondContact O-N 3.24Å; I431-K434 CarbonylContact O-C 3.5Å; I431-K434 PolarHBondContact O-N 3.44Å
435	K	66.4	Low	77.8	Confident	135 Å²	135	67.4 Å²	67.4	59%	0.587	33%	0.333	S	S	*	.			trans	-54.7	126.4	-177.9	-70	-169.9	177.5	-169.3	0	111.6	I431	I431-K435 WeakPolarHBondContact O-CA 3.33Å; I431-K435 WeakPolarHBondContact O-CG 3.44Å; I431-K435 PolarHBondContact O-N 2.77Å; I431-K435 VanDerWaalsContact O-N 3.14Å
436	P	66.1	Low	78	Confident	13 Å²	13	66.5 Å²	66.5	8%	0.084	33%	0.331	C	S	.	.			trans	-64	163.8	167.9	28.1	-33.3	0	0	0	109.8	F366 S438 L510	F366-P436 HydrophobicContact CD1-CB 3.78Å; F366-P436 HydrophobicContact CD1-CG 4.16Å; F366-P436 HydrophobicContact CE1-CB 3.79Å; F366-P436 HydrophobicContact CE1-CG 3.62Å; F366-P436 HydrophobicContact CZ-CG 4.19Å; P436-S438 VanDerWaalsContact CG-O 3.28Å; P436-S438 WeakPolarHBondContact CG-O 3.28Å; P436-S438 PolarHBondContact O-N 3.4Å; P436-S438 VanDerWaalsContact O-N 3.12Å; P436-L510 HydrophobicContact CB-CD2 4.12Å
437	T	64.3	Low	78.1	Confident	100 Å²	100	66.6 Å²	66.6	61%	0.613	33%	0.331	S	S	*	.	S	Bend	trans	-65.7	-13.4	175.8	-25.7	0	0	0	0	112.8	C359 N363	C359-T437 PolarHBondContact SG-OG1 2.94Å; N363-T437 PolarHBondContact ND2-OG1 3.49Å; N363-T437 PolarHBondContact OD1-N 3.09Å; N363-T437 PolarHBondContact OD1-OG1 3.4Å
438	S	68.2	Low	77.9	Confident	53 Å²	53	66.8 Å²	66.8	37%	0.371	33%	0.332	S	S	.	.			trans	-125.8	129.2	-178	173.1	0	0	0	0	111.9	P436 G440	P436-S438 VanDerWaalsContact CG-O 3.28Å; P436-S438 WeakPolarHBondContact CG-O 3.28Å; P436-S438 PolarHBondContact O-N 3.4Å; P436-S438 VanDerWaalsContact O-N 3.12Å; S438-G440 PolarHBondContact O-N 3.41Å; S438-G440 PolarHBondContact OG-N 3.05Å
439	N	78.4	Confident	77.9	Confident	99 Å²	99	65 Å²	65	53%	0.529	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-1.3	175.1	-62.6	-11.5	0	0	0	113.3	L441 E442 L443	N439-L441 VanDerWaalsContact C-N 3.26Å; N439-L441 PolarHBondContact O-N 3.4Å; N439-E442 PolarHBondContact O-N 3.3Å; N439-E442 VanDerWaalsContact O-N 3.12Å; N439-L443 WeakPolarHBondContact O-CG 3.37Å; N439-L443 PolarHBondContact O-N 2.67Å
440	G	81.6	Confident	77.7	Confident	25 Å²	25	65.3 Å²	65.3	26%	0.258	33%	0.328	S	S	.	.	H	α-helix	trans	-58.2	-34.4	-174.5	0	0	0	0	0	114.1	S438 A444	S438-G440 PolarHBondContact O-N 3.41Å; S438-G440 PolarHBondContact OG-N 3.05Å; G440-A444 WeakPolarHBondContact O-CB 3.5Å; G440-A444 PolarHBondContact O-N 3.45Å
441	L	82.6	Confident	77.5	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-69.8	-42.7	176.7	-175	65.3	0	0	0	112.2	F366 V370 I431 N439 A444 M445 L503 A506 F507 L510	F366-L441 HydrophobicContact CE1-CD2 3.82Å; V370-L441 HydrophobicContact CB-CD2 4.33Å; V370-L441 HydrophobicContact CG1-CD2 4.11Å; V370-L441 HydrophobicContact CG2-CD2 4.23Å; I431-L441 HydrophobicContact CD1-CD2 4.22Å; I431-L441 HydrophobicContact CD1-CG 4.32Å; I431-L441 HydrophobicContact CG1-CD2 4.4Å; N439-L441 VanDerWaalsContact C-N 3.26Å; N439-L441 PolarHBondContact O-N 3.4Å; L441-A444 PolarHBondContact O-N 3.34Å; L441-M445 HydrophobicContact CG-SD 4.32Å; L441-M445 VanDerWaalsContact O-CB 3.31Å; L441-M445 WeakPolarHBondContact O-CB 3.43Å; L441-M445 VanDerWaalsContact O-CG 3.31Å; L441-M445 WeakPolarHBondContact O-CG 3.38Å; L441-M445 PolarHBondContact O-N 3.12Å; L441-L503 HydrophobicContact CD1-CD1 3.89Å; L441-A506 HydrophobicContact CB-CB 4.43Å; L441-A506 HydrophobicContact CD1-CB 4.21Å; L441-F507 HydrophobicContact CD1-CD2 3.96Å; L441-F507 HydrophobicContact CD1-CE1 4.25Å; L441-F507 HydrophobicContact CD1-CE2 3.66Å; L441-F507 HydrophobicContact CD1-CG 4.37Å; L441-F507 HydrophobicContact CD1-CZ 3.81Å; L441-L510 HydrophobicContact CB-CD1 4.14Å; L441-L510 HydrophobicContact CD2-CD1 3.9Å; L441-L510 HydrophobicContact CG-CD1 4.48Å
442	E	82.2	Confident	77.1	Confident	62 Å²	62	63.8 Å²	63.8	29%	0.29	32%	0.32	S	S	.	.	H	α-helix	trans	-63	-43.7	177.6	-173.1	177.2	-178.4	0	0	111	I431 N439 M445 N446	I431-E442 HydrophobicContact CG2-CB 4.38Å; N439-E442 PolarHBondContact O-N 3.3Å; N439-E442 VanDerWaalsContact O-N 3.12Å; E442-M445 PolarHBondContact O-N 3.26Å; E442-N446 VanDerWaalsContact O-CG 3.3Å; E442-N446 PolarHBondContact O-N 2.89Å; E442-N446 PolarHBondContact O-ND2 2.92Å
443	L	84.3	Confident	76.6	Confident	107 Å²	107	61.6 Å²	61.6	56%	0.56	31%	0.314	S	S	*	.	H	α-helix	trans	-60.9	-49.9	175.3	-69.1	173.1	0	0	0	111.8	N439 M445 N446 E447	N439-L443 WeakPolarHBondContact O-CG 3.37Å; N439-L443 PolarHBondContact O-N 2.67Å; L443-M445 VanDerWaalsContact C-N 3.3Å; L443-M445 PolarHBondContact O-N 3.29Å; L443-N446 PolarHBondContact O-N 2.91Å; L443-N446 VanDerWaalsContact O-N 3.15Å; L443-E447 WeakPolarHBondContact O-CG 3.34Å; L443-E447 PolarHBondContact O-N 3.23Å
444	A	84.3	Confident	75.7	Confident	4 Å²	4	59 Å²	59	3%	0.033	30%	0.304	C	S	.	.	H	α-helix	trans	-64.8	-34.6	-179.7	0	0	0	0	0	112.9	G440 L441 E447 W448 L503 A506	G440-A444 WeakPolarHBondContact O-CB 3.5Å; G440-A444 PolarHBondContact O-N 3.45Å; L441-A444 PolarHBondContact O-N 3.34Å; A444-E447 PolarHBondContact O-N 3.48Å; A444-W448 WeakPolarHBondContact O-CB 3.2Å; A444-W448 PolarHBondContact O-N 2.95Å; A444-L503 HydrophobicContact CB-CB 4.4Å; A444-L503 HydrophobicContact CB-CD1 4.25Å; A444-A506 HydrophobicContact CB-CB 3.94Å
445	M	82.2	Confident	74.7	Confident	6 Å²	6	57.6 Å²	57.6	3%	0.03	30%	0.3	C	S	.	.	H	α-helix	trans	-64.9	-43	172.6	-82	-173.4	69.6	0	0	111.7	F424 C427 I431 L441 E442 L443 W448 K449 L503	F424-M445 HydrophobicContact CD1-CE 4.44Å; F424-M445 HydrophobicContact CD2-CE 3.45Å; F424-M445 VanDerWaalsContact CD2-CE 3.45Å; F424-M445 HydrophobicContact CE1-CE 4.37Å; F424-M445 HydrophobicContact CE2-CB 3.54Å; F424-M445 HydrophobicContact CE2-CE 3.41Å; F424-M445 VanDerWaalsContact CE2-CE 3.41Å; F424-M445 HydrophobicContact CE2-CG 4.07Å; F424-M445 WeakPolarHBondContact CE2-O 3.35Å; F424-M445 HydrophobicContact CG-CE 4.01Å; F424-M445 HydrophobicContact CZ-CB 3.81Å; F424-M445 HydrophobicContact CZ-CE 3.9Å; F424-M445 WeakPolarHBondContact CZ-O 3.19Å; C427-M445 HydrophobicContact CB-CE 3.35Å; C427-M445 HydrophobicContact CB-SD 4.12Å; I431-M445 HydrophobicContact CD1-CE 4.33Å; I431-M445 HydrophobicContact CD1-SD 3.37Å; I431-M445 WeakPolarHBondContact CD1-SD 3.31Å; L441-M445 HydrophobicContact CG-SD 4.32Å; L441-M445 VanDerWaalsContact O-CB 3.31Å; L441-M445 WeakPolarHBondContact O-CB 3.43Å; L441-M445 VanDerWaalsContact O-CG 3.31Å; L441-M445 WeakPolarHBondContact O-CG 3.38Å; L441-M445 PolarHBondContact O-N 3.12Å; E442-M445 PolarHBondContact O-N 3.26Å; L443-M445 VanDerWaalsContact C-N 3.3Å; L443-M445 PolarHBondContact O-N 3.29Å; M445-W448 PolarHBondContact O-N 3.14Å; M445-K449 PolarHBondContact O-N 2.97Å; M445-L503 HydrophobicContact CG-CD1 3.79Å
446	N	82.4	Confident	73.6	Confident	59 Å²	59	57.1 Å²	57.1	32%	0.316	31%	0.308	S	S	.	.	H	α-helix	trans	-65	-40.2	175.4	-71.2	-29.8	0	0	0	112.3	E442 L443 W448 K449 Q450	E442-N446 VanDerWaalsContact O-CG 3.3Å; E442-N446 PolarHBondContact O-N 2.89Å; E442-N446 PolarHBondContact O-ND2 2.92Å; L443-N446 PolarHBondContact O-N 2.91Å; L443-N446 VanDerWaalsContact O-N 3.15Å; N446-W448 VanDerWaalsContact C-N 3.32Å; N446-W448 PolarHBondContact O-N 3.35Å; N446-K449 PolarHBondContact O-N 3.33Å; N446-Q450 WeakPolarHBondContact O-CB 3.32Å; N446-Q450 WeakPolarHBondContact O-CG 3.46Å; N446-Q450 PolarHBondContact O-N 3.31Å
447	E	83.3	Confident	72.5	Confident	86 Å²	86	63.2 Å²	63.2	40%	0.402	34%	0.34	S	S	.	.	H	α-helix	trans	-59.1	-42.6	172.9	-73.7	-179.6	-176.6	0	0	111.7	L443 A444 Q450 S451 A499 S502	L443-E447 WeakPolarHBondContact O-CG 3.34Å; L443-E447 PolarHBondContact O-N 3.23Å; A444-E447 PolarHBondContact O-N 3.48Å; E447-Q450 PolarHBondContact O-N 3.43Å; E447-S451 WeakPolarHBondContact O-CB 3.25Å; E447-S451 PolarHBondContact O-N 3.4Å; E447-A499 HydrophobicContact CB-CB 4.36Å; E447-S502 WeakPolarHBondContact OE2-CB 3.42Å; E447-S502 PolarHBondContact OE2-OG 3.24Å
448	W	78.9	Confident	71.4	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.015	34%	0.344	C	S	.	.	H	α-helix	trans	-64.5	-43.1	176.6	177.4	-116.3	0	0	0	112	L412 F420 A444 M445 N446 S451 E496 A499 L500	L412-W448 HydrophobicContact CB-CZ2 4.3Å; F420-W448 AromaticContact CD2-NE1 3.67Å; F420-W448 AromaticContact CE2-CD1 3.24Å; F420-W448 AromaticContact CE2-NE1 2.93Å; F420-W448 AromaticContact CZ-CD1 3.11Å; F420-W448 HydrophobicContact CZ-CG 4.27Å; F420-W448 AromaticContact CZ-NE1 3.15Å; A444-W448 WeakPolarHBondContact O-CB 3.2Å; A444-W448 PolarHBondContact O-N 2.95Å; M445-W448 PolarHBondContact O-N 3.14Å; N446-W448 VanDerWaalsContact C-N 3.32Å; N446-W448 PolarHBondContact O-N 3.35Å; W448-S451 PolarHBondContact O-N 3.34Å; W448-S451 PolarHBondContact O-OG 3.12Å; W448-E496 HydrophobicContact CH2-CB 3.97Å; W448-E496 HydrophobicContact CH2-CG 3.94Å; W448-E496 VanDerWaalsContact CZ3-CA 3.48Å; W448-E496 HydrophobicContact CZ3-CB 3.5Å; W448-E496 VanDerWaalsContact CZ3-CB 3.5Å; W448-E496 HydrophobicContact CZ3-CG 3.69Å; W448-E496 VanDerWaalsContact CZ3-O 3.28Å; W448-E496 WeakPolarHBondContact CZ3-O 3.5Å; W448-A499 HydrophobicContact CB-CB 4.12Å; W448-A499 HydrophobicContact CE3-CB 3.82Å; W448-L500 HydrophobicContact CD2-CD2 4.1Å; W448-L500 HydrophobicContact CD2-CG 4.37Å; W448-L500 HydrophobicContact CE3-CD1 4.45Å; W448-L500 HydrophobicContact CE3-CD2 3.89Å; W448-L500 HydrophobicContact CE3-CG 3.66Å; W448-L500 HydrophobicContact CH2-CD1 3.63Å; W448-L500 HydrophobicContact CH2-CD2 3.82Å; W448-L500 HydrophobicContact CH2-CG 3.68Å; W448-L500 HydrophobicContact CZ2-CD2 4.02Å; W448-L500 HydrophobicContact CZ2-CG 4.38Å; W448-L500 HydrophobicContact CZ3-CB 4.5Å; W448-L500 HydrophobicContact CZ3-CD1 3.59Å; W448-L500 HydrophobicContact CZ3-CD2 3.76Å; W448-L500 HydrophobicContact CZ3-CG 3.28Å
449	K	79.3	Confident	69.8	Low	64 Å²	64	64.6 Å²	64.6	28%	0.278	35%	0.349	S	S	.	.	H	α-helix	trans	-60.7	-46.4	173.6	-171.7	177.8	-177.6	177	0	111.8	F424 M445 N446 S451 R452 T453	F424-K449 HydrophobicContact CE1-CD 4Å; F424-K449 HydrophobicContact CE2-CB 4.34Å; F424-K449 HydrophobicContact CZ-CB 4.05Å; F424-K449 HydrophobicContact CZ-CD 4.3Å; M445-K449 PolarHBondContact O-N 2.97Å; N446-K449 PolarHBondContact O-N 3.33Å; K449-S451 VanDerWaalsContact C-N 3.32Å; K449-S451 PolarHBondContact O-N 2.92Å; K449-R452 PolarHBondContact O-N 3.22Å; K449-R452 VanDerWaalsContact O-N 3.11Å; K449-T453 HydrophobicContact CG-CG2 4.38Å; K449-T453 PolarHBondContact O-N 2.94Å; K449-T453 PolarHBondContact O-OG1 3.28Å
450	Q	81	Confident	67.8	Low	106 Å²	106	68.9 Å²	68.9	50%	0.495	37%	0.366	S	S	.	.	H	α-helix	trans	-59.1	-43.2	178.2	-76.4	174	-6.8	0	0	111.9	N446 E447 R452 T453 E454	N446-Q450 WeakPolarHBondContact O-CB 3.32Å; N446-Q450 WeakPolarHBondContact O-CG 3.46Å; N446-Q450 PolarHBondContact O-N 3.31Å; E447-Q450 PolarHBondContact O-N 3.43Å; Q450-R452 PolarHBondContact O-N 3.03Å; Q450-T453 WeakPolarHBondContact CA-OG1 3.19Å; Q450-T453 PolarHBondContact O-N 3.01Å; Q450-T453 VanDerWaalsContact O-N 3.14Å; Q450-T453 PolarHBondContact O-OG1 3.41Å; Q450-E454 WeakPolarHBondContact O-CG 3.32Å; Q450-E454 PolarHBondContact O-N 2.74Å
451	S	75.8	Confident	65.9	Low	10 Å²	10	76.2 Å²	76.2	7%	0.07	39%	0.39	C	S	.	.	H	α-helix	trans	-57.7	-21.9	178.3	78.3	0	0	0	0	113.8	E447 W448 K449	E447-S451 WeakPolarHBondContact O-CB 3.25Å; E447-S451 PolarHBondContact O-N 3.4Å; W448-S451 PolarHBondContact O-N 3.34Å; W448-S451 PolarHBondContact O-OG 3.12Å; K449-S451 VanDerWaalsContact C-N 3.32Å; K449-S451 PolarHBondContact O-N 2.92Å
452	R	70	Confident	63.8	Low	16 Å²	16	79.5 Å²	79.5	6%	0.06	41%	0.411	C	S	.	.	H	α-helix	trans	-102.4	-26.6	177.5	-64.9	-152.4	164.2	-175.1	0.2	114.7	L412 G414 M415 M417 K449 Q450 E496	L412-R452 PolarHBondContact O-NH2 3.45Å; G414-R452 VanDerWaalsContact N-NH2 3.12Å; M415-R452 PolarHBondContact O-NH1 3.42Å; M417-R452 HydrophobicContact CE-CB 4Å; M417-R452 HydrophobicContact SD-CB 3.77Å; M417-R452 WeakPolarHBondContact SD-CD 3.44Å; M417-R452 HydrophobicContact SD-CG 4.26Å; K449-R452 PolarHBondContact O-N 3.22Å; K449-R452 VanDerWaalsContact O-N 3.11Å; Q450-R452 PolarHBondContact O-N 3.03Å; R452-E496 HydrophobicContact CG-CG 4.45Å; R452-E496 IonicContact CZ-OE1 3.83Å; R452-E496 IonicContact CZ-OE2 2.83Å; R452-E496 IonicContact NE-OE1 3.49Å; R452-E496 PolarHBondContact NE-OE1 3.46Å; R452-E496 IonicContact NE-OE2 3.51Å; R452-E496 IonicContact NH2-OE1 3.49Å; R452-E496 PolarHBondContact NH2-OE1 3.11Å; R452-E496 IonicContact NH2-OE2 2.73Å; R452-E496 PolarHBondContact NH2-OE2 2.99Å
453	T	68.6	Low	61.9	Low	57 Å²	57	79.7 Å²	79.7	35%	0.35	42%	0.418	S	S	.	.	H	α-helix	trans	-83.7	-23.2	176.4	51.7	0	0	0	0	114	K449 Q450 Q455 T456	K449-T453 HydrophobicContact CG-CG2 4.38Å; K449-T453 PolarHBondContact O-N 2.94Å; K449-T453 PolarHBondContact O-OG1 3.28Å; Q450-T453 WeakPolarHBondContact CA-OG1 3.19Å; Q450-T453 PolarHBondContact O-N 3.01Å; Q450-T453 VanDerWaalsContact O-N 3.14Å; Q450-T453 PolarHBondContact O-OG1 3.41Å; T453-Q455 PolarHBondContact O-N 3.33Å; T453-T456 PolarHBondContact O-N 3.26Å; T453-T456 PolarHBondContact O-OG1 2.84Å
454	E	58.6	Low	60.2	Low	107 Å²	107	79.5 Å²	79.5	50%	0.5	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-8.6	-177	-79.3	178.9	176.3	0	0	114.2	Q450 N457 V458	Q450-E454 WeakPolarHBondContact O-CG 3.32Å; Q450-E454 PolarHBondContact O-N 2.74Å; E454-N457 PolarHBondContact O-N 3.13Å; E454-V458 PolarHBondContact O-N 2.99Å
455	Q	49.3	Very low	58.6	Low	94 Å²	94	85.6 Å²	85.6	44%	0.439	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-23.6	173.9	-80.7	-167.8	-27.5	0	0	115.4	T453 N457 Q492	T453-Q455 PolarHBondContact O-N 3.33Å; Q455-N457 VanDerWaalsContact C-N 3.25Å; Q455-N457 PolarHBondContact O-N 3.29Å; Q455-Q492 VanDerWaalsContact CD-CD 3.48Å
456	T	44.9	Very low	57	Low	125 Å²	125	91.4 Å²	91.4	77%	0.767	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-15.8	174.3	22.6	0	0	0	0	112.7	T453	T453-T456 PolarHBondContact O-N 3.26Å; T453-T456 PolarHBondContact O-OG1 2.84Å
457	N	42	Very low	55.6	Low	141 Å²	141	91.2 Å²	91.2	75%	0.754	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	16.8	-176.8	-74.2	-20.3	0	0	0	114	E454 Q455 S459	E454-N457 PolarHBondContact O-N 3.13Å; Q455-N457 VanDerWaalsContact C-N 3.25Å; Q455-N457 PolarHBondContact O-N 3.29Å; N457-S459 PolarHBondContact O-N 3.01Å
458	V	41.5	Very low	54	Low	115 Å²	115	94.9 Å²	94.9	70%	0.697	49%	0.493	S	S	*	.	S	Bend	trans	-65.3	94	161.3	-178.1	0	0	0	0	105.9	E454 E460	E454-V458 PolarHBondContact O-N 2.99Å; V458-E460 PolarHBondContact O-N 2.81Å
459	S	35	Very low	52.6	Low	68 Å²	68	98.7 Å²	98.7	48%	0.476	53%	0.534	S	S	.	.			trans	-45.7	135.6	-174.8	68	0	0	0	0	109.2	N457 K461	N457-S459 PolarHBondContact O-N 3.01Å; S459-K461 PolarHBondContact O-N 3.29Å; S459-K461 WeakPolarHBondContact OG-CB 3.31Å; S459-K461 WeakPolarHBondContact OG-CG 3.24Å; S459-K461 PolarHBondContact OG-N 3.08Å
460	E	37	Very low	51.2	Low	188 Å²	188	98 Å²	98	88%	0.879	55%	0.545	S	S	*	.			trans	-58.2	26.6	160.1	-66.4	-179	138.2	0	0	113.1	V458 T462	V458-E460 PolarHBondContact O-N 2.81Å; E460-T462 WeakPolarHBondContact O-CB 3.48Å; E460-T462 PolarHBondContact O-N 3.29Å; E460-T462 PolarHBondContact O-OG1 2.8Å
461	K	41.3	Very low	50	Low	179 Å²	179	103.6 Å²	103.6	78%	0.778	57%	0.568	S	S	*	*			trans	-68.7	60.5	150.9	-62.7	-177	179.5	-179.2	0	108.8	S459	S459-K461 PolarHBondContact O-N 3.29Å; S459-K461 WeakPolarHBondContact OG-CB 3.31Å; S459-K461 WeakPolarHBondContact OG-CG 3.24Å; S459-K461 PolarHBondContact OG-N 3.08Å
462	T	37.2	Very low	49.2	Very low	72 Å²	72	105.8 Å²	105.8	44%	0.442	58%	0.58	S	S	.	*				7.9	133.5	125.9	25.6	0	0	0	0	113.7	E460 L464	E460-T462 WeakPolarHBondContact O-CB 3.48Å; E460-T462 PolarHBondContact O-N 3.29Å; E460-T462 PolarHBondContact O-OG1 2.8Å; T462-L464 HydrophobicContact CG2-CB 4.36Å; T462-L464 HydrophobicContact CG2-CD1 3.47Å; T462-L464 VanDerWaalsContact CG2-CD1 3.47Å; T462-L464 HydrophobicContact CG2-CG 3.7Å; T462-L464 PolarHBondContact O-N 2.92Å; T462-L464 WeakPolarHBondContact OG1-CD1 3.3Å
463	P	42.1	Very low	49.4	Very low	66 Å²	66	108.1 Å²	108.1	43%	0.429	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-63.5	18.9	160.9	25.8	-27	0	0	0	112.7	N465 N466 F467	P463-N465 PolarHBondContact O-N 3.26Å; P463-N465 VanDerWaalsContact O-N 3.09Å; P463-N466 PolarHBondContact O-N 3.4Å; P463-F467 WeakPolarHBondContact O-CD2 3.22Å
464	L	48.8	Very low	49.6	Very low	102 Å²	102	111.9 Å²	111.9	53%	0.534	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-57.6	-25.4	-177.6	-91.2	168.5	0	0	0	112.6	T462 N466 F467	T462-L464 HydrophobicContact CG2-CB 4.36Å; T462-L464 HydrophobicContact CG2-CD1 3.47Å; T462-L464 VanDerWaalsContact CG2-CD1 3.47Å; T462-L464 HydrophobicContact CG2-CG 3.7Å; T462-L464 PolarHBondContact O-N 2.92Å; T462-L464 WeakPolarHBondContact OG1-CD1 3.3Å; L464-N466 PolarHBondContact O-N 2.92Å; L464-F467 PolarHBondContact O-N 3.39Å; L464-F467 VanDerWaalsContact O-N 3.16Å
465	N	50.6	Low	50.4	Low	132 Å²	132	116.4 Å²	116.4	71%	0.706	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-71	-13.5	176.6	-77.3	3.5	0	0	0	114.1	P463	P463-N465 PolarHBondContact O-N 3.26Å; P463-N465 VanDerWaalsContact O-N 3.09Å
466	N	48.6	Very low	51.7	Low	129 Å²	129	118.2 Å²	118.2	69%	0.69	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-100.1	-1.2	172.1	-73.5	-7.7	0	0	0	113.6	P463 L464	P463-N466 PolarHBondContact O-N 3.4Å; L464-N466 PolarHBondContact O-N 2.92Å
467	F	53.1	Low	53	Low	55 Å²	55	115.8 Å²	115.8	24%	0.241	62%	0.617	C	S	.	*			trans	-101.2	5.1	177.6	-77.8	-103.7	0	0	0	113.2	P463 L464 G469 V472 L477	P463-F467 WeakPolarHBondContact O-CD2 3.22Å; L464-F467 PolarHBondContact O-N 3.39Å; L464-F467 VanDerWaalsContact O-N 3.16Å; F467-G469 PolarHBondContact O-N 3.49Å; F467-G469 VanDerWaalsContact O-N 3.1Å; F467-V472 HydrophobicContact CD1-CB 3.57Å; F467-V472 HydrophobicContact CD1-CG1 4.11Å; F467-V472 HydrophobicContact CD1-CG2 3.33Å; F467-V472 HydrophobicContact CE1-CB 3.16Å; F467-V472 HydrophobicContact CE1-CG1 3.21Å; F467-V472 HydrophobicContact CE1-CG2 3.36Å; F467-V472 HydrophobicContact CG-CG2 4.14Å; F467-V472 HydrophobicContact CZ-CB 4.06Å; F467-V472 HydrophobicContact CZ-CG1 3.61Å; F467-V472 HydrophobicContact CZ-CG2 4.12Å; F467-L477 HydrophobicContact CD1-CD1 4.26Å; F467-L477 HydrophobicContact CE1-CB 4.45Å; F467-L477 HydrophobicContact CE1-CD1 3.45Å; F467-L477 VanDerWaalsContact CE1-CD1 3.45Å; F467-L477 HydrophobicContact CE1-CG 4.43Å; F467-L477 HydrophobicContact CE2-CD1 4.39Å; F467-L477 HydrophobicContact CZ-CB 4.27Å; F467-L477 HydrophobicContact CZ-CD1 3.58Å; F467-L477 HydrophobicContact CZ-CG 4.22Å
468	Q	51.3	Low	54.6	Low	162 Å²	162	114.5 Å²	114.5	76%	0.757	61%	0.607	S	S	*	*	S	Bend	trans	-75.1	99.2	171.9	-67.4	-175.2	-3.2	0	0	109.7
469	G	49.4	Very low	56.4	Low	84 Å²	84	114.7 Å²	114.7	87%	0.866	60%	0.6	S	S	*	*	S	Bend	trans	120.6	-2.4	156.8	0	0	0	0	0	118.7	F467	F467-G469 PolarHBondContact O-N 3.49Å; F467-G469 VanDerWaalsContact O-N 3.1Å
470	G	49.2	Very low	58.3	Low	50 Å²	50	114.5 Å²	114.5	52%	0.515	59%	0.592	S	S	.	*	S	Bend	trans	-146.4	141.7	180	0	0	0	0	0	113.3	V472	G470-V472 WeakPolarHBondContact O-CG2 3.43Å; G470-V472 PolarHBondContact O-N 3.43Å
471	K	55.4	Low	60	Low	223 Å²	223	108.9 Å²	108.9	97%	0.97	57%	0.567	S	S	*	*			trans	-53.2	101.2	172.4	-75.2	177.8	176	176.3	0	109.9
472	V	59.3	Low	61.5	Low	56 Å²	56	105.9 Å²	105.9	34%	0.339	56%	0.556	S	S	.	*			trans	-89.1	125.9	171.5	-176.7	0	0	0	0	108.8	F467 G470 K476	F467-V472 HydrophobicContact CD1-CB 3.57Å; F467-V472 HydrophobicContact CD1-CG1 4.11Å; F467-V472 HydrophobicContact CD1-CG2 3.33Å; F467-V472 HydrophobicContact CE1-CB 3.16Å; F467-V472 HydrophobicContact CE1-CG1 3.21Å; F467-V472 HydrophobicContact CE1-CG2 3.36Å; F467-V472 HydrophobicContact CG-CG2 4.14Å; F467-V472 HydrophobicContact CZ-CB 4.06Å; F467-V472 HydrophobicContact CZ-CG1 3.61Å; F467-V472 HydrophobicContact CZ-CG2 4.12Å; G470-V472 WeakPolarHBondContact O-CG2 3.43Å; G470-V472 PolarHBondContact O-N 3.43Å; V472-K476 HydrophobicContact CG1-CB 3.6Å; V472-K476 HydrophobicContact CG1-CD 4.14Å; V472-K476 HydrophobicContact CG1-CG 4.49Å
473	S	73.8	Confident	63.2	Low	66 Å²	66	107.7 Å²	107.7	46%	0.462	56%	0.562	S	S	.	*			trans	-63.1	141.4	175.9	64.3	0	0	0	0	111.3	R475 K476 L477	S473-R475 PolarHBondContact O-N 2.85Å; S473-K476 PolarHBondContact O-N 2.91Å; S473-L477 PolarHBondContact O-N 3.3Å
474	L	72.9	Confident	64.4	Low	136 Å²	136	108.6 Å²	108.6	71%	0.712	57%	0.567	S	S	*	*	H	α-helix	trans	-45.1	-37.8	173.3	-115.1	152.2	0	0	0	113.7	K476 L477 Q478	L474-K476 PolarHBondContact O-N 3.07Å; L474-L477 PolarHBondContact O-N 2.97Å; L474-Q478 PolarHBondContact O-N 3.32Å
475	R	75.1	Confident	65.1	Low	201 Å²	201	112.3 Å²	112.3	76%	0.758	57%	0.574	S	S	*	*	H	α-helix	trans	-59.9	-41.1	175.6	-81.2	-175.2	178.1	169.4	-0.2	114.1	S473 L477 Q478 Q479	S473-R475 PolarHBondContact O-N 2.85Å; R475-L477 VanDerWaalsContact C-N 3.34Å; R475-Q478 PolarHBondContact O-N 3.26Å; R475-Q479 WeakPolarHBondContact O-CG 3.3Å; R475-Q479 PolarHBondContact O-N 3.1Å
476	K	76.5	Confident	65.5	Low	132 Å²	132	111.7 Å²	111.7	57%	0.574	57%	0.566	S	S	*	*	H	α-helix	trans	-67.6	-36.9	178.8	-86	-174.7	174.6	-177.5	0	111.5	V472 S473 L474 Q479 Q480	V472-K476 HydrophobicContact CG1-CB 3.6Å; V472-K476 HydrophobicContact CG1-CD 4.14Å; V472-K476 HydrophobicContact CG1-CG 4.49Å; S473-K476 PolarHBondContact O-N 2.91Å; L474-K476 PolarHBondContact O-N 3.07Å; K476-Q479 PolarHBondContact O-N 3.35Å; K476-Q480 PolarHBondContact O-N 3.39Å
477	L	73.8	Confident	66	Low	74 Å²	74	108.4 Å²	108.4	39%	0.387	55%	0.554	S	S	.	*	H	α-helix	trans	-69.2	-41.8	178.2	-164.3	127.9	0	0	0	111	F467 S473 L474 R475 Q480 I481	F467-L477 HydrophobicContact CD1-CD1 4.26Å; F467-L477 HydrophobicContact CE1-CB 4.45Å; F467-L477 HydrophobicContact CE1-CD1 3.45Å; F467-L477 VanDerWaalsContact CE1-CD1 3.45Å; F467-L477 HydrophobicContact CE1-CG 4.43Å; F467-L477 HydrophobicContact CE2-CD1 4.39Å; F467-L477 HydrophobicContact CZ-CB 4.27Å; F467-L477 HydrophobicContact CZ-CD1 3.58Å; F467-L477 HydrophobicContact CZ-CG 4.22Å; S473-L477 PolarHBondContact O-N 3.3Å; L474-L477 PolarHBondContact O-N 2.97Å; R475-L477 VanDerWaalsContact C-N 3.34Å; L477-Q480 PolarHBondContact O-N 2.78Å; L477-I481 HydrophobicContact CD2-CD1 3.78Å; L477-I481 HydrophobicContact CG-CD1 4.48Å; L477-I481 VanDerWaalsContact O-CG1 3.3Å; L477-I481 WeakPolarHBondContact O-CG1 3.47Å; L477-I481 PolarHBondContact O-N 3.07Å
478	Q	75.3	Confident	66.1	Low	114 Å²	114	108 Å²	108	53%	0.533	56%	0.56	S	S	.	*	H	α-helix	trans	-60.7	-46.6	172	-77.5	177.5	-33.2	0	0	112.5	L474 R475 Q480 I481 E482	L474-Q478 PolarHBondContact O-N 3.32Å; R475-Q478 PolarHBondContact O-N 3.26Å; Q478-Q480 VanDerWaalsContact C-N 3.32Å; Q478-Q480 PolarHBondContact O-N 2.88Å; Q478-I481 PolarHBondContact O-N 3.47Å; Q478-E482 PolarHBondContact O-N 3.4Å
479	Q	78.6	Confident	66.3	Low	119 Å²	119	103.4 Å²	103.4	56%	0.556	55%	0.546	S	S	*	.	H	α-helix	trans	-60	-40.4	176.4	-78.5	178.6	-18.8	0	0	112.5	R475 K476 E482 L483	R475-Q479 WeakPolarHBondContact O-CG 3.3Å; R475-Q479 PolarHBondContact O-N 3.1Å; K476-Q479 PolarHBondContact O-N 3.35Å; Q479-E482 PolarHBondContact O-N 3.42Å; Q479-L483 WeakPolarHBondContact O-CB 3.31Å; Q479-L483 VanDerWaalsContact O-CG 3.24Å; Q479-L483 WeakPolarHBondContact O-CG 3.33Å; Q479-L483 PolarHBondContact O-N 3.18Å
480	Q	74.3	Confident	66.7	Low	64 Å²	64	108.9 Å²	108.9	30%	0.299	54%	0.541	S	S	.	.	H	α-helix	trans	-66.3	-41.3	175.5	-86.7	-179.7	-21.9	0	0	112.3	K476 L477 Q478 E482 L483 T484	K476-Q480 PolarHBondContact O-N 3.39Å; L477-Q480 PolarHBondContact O-N 2.78Å; Q478-Q480 VanDerWaalsContact C-N 3.32Å; Q478-Q480 PolarHBondContact O-N 2.88Å; Q480-E482 VanDerWaalsContact C-N 3.34Å; Q480-E482 PolarHBondContact O-N 2.94Å; Q480-L483 PolarHBondContact O-N 2.81Å; Q480-T484 WeakPolarHBondContact O-CB 3.28Å; Q480-T484 PolarHBondContact O-N 3.03Å; Q480-T484 PolarHBondContact O-OG1 3.07Å
481	I	74.5	Confident	67.3	Low	71 Å²	71	110.8 Å²	110.8	36%	0.364	54%	0.538	S	S	.	.	H	α-helix	trans	-61	-44.6	175.4	-69.2	165.8	0	0	0	110.6	L477 Q478 T484 R485	L477-I481 HydrophobicContact CD2-CD1 3.78Å; L477-I481 HydrophobicContact CG-CD1 4.48Å; L477-I481 VanDerWaalsContact O-CG1 3.3Å; L477-I481 WeakPolarHBondContact O-CG1 3.47Å; L477-I481 PolarHBondContact O-N 3.07Å; Q478-I481 PolarHBondContact O-N 3.47Å; I481-T484 PolarHBondContact O-N 2.88Å; I481-R485 HydrophobicContact CG2-CG 4.43Å; I481-R485 WeakPolarHBondContact O-CB 3.5Å; I481-R485 VanDerWaalsContact O-CG 3.25Å; I481-R485 WeakPolarHBondContact O-CG 3.45Å; I481-R485 PolarHBondContact O-N 3.14Å
482	E	71.9	Confident	67.7	Low	115 Å²	115	103 Å²	103	54%	0.537	51%	0.505	S	S	.	.	H	α-helix	trans	-63.4	-42.7	176	-76.7	178.6	171.2	0	0	112.2	Q478 Q479 Q480 R485 H486	Q478-E482 PolarHBondContact O-N 3.4Å; Q479-E482 PolarHBondContact O-N 3.42Å; Q480-E482 VanDerWaalsContact C-N 3.34Å; Q480-E482 PolarHBondContact O-N 2.94Å; E482-R485 PolarHBondContact O-N 3.22Å; E482-H486 WeakPolarHBondContact O-CB 3.15Å; E482-H486 PolarHBondContact O-CD2 3.07Å; E482-H486 PolarHBondContact O-N 2.99Å
483	L	72.2	Confident	68.1	Low	111 Å²	111	103.2 Å²	103.2	58%	0.581	51%	0.507	S	S	*	.	H	α-helix	trans	-62.7	-44.2	175.3	-75.8	168.3	0	0	0	111.6	Q479 Q480 H486 S487	Q479-L483 WeakPolarHBondContact O-CB 3.31Å; Q479-L483 VanDerWaalsContact O-CG 3.24Å; Q479-L483 WeakPolarHBondContact O-CG 3.33Å; Q479-L483 PolarHBondContact O-N 3.18Å; Q480-L483 PolarHBondContact O-N 2.81Å; L483-H486 PolarHBondContact O-N 3.29Å; L483-S487 VanDerWaalsContact O-CB 3.3Å; L483-S487 WeakPolarHBondContact O-CB 3.46Å; L483-S487 PolarHBondContact O-N 3.01Å; L483-S487 PolarHBondContact O-OG 2.82Å
484	T	68.6	Low	68.1	Low	85 Å²	85	103.3 Å²	103.3	52%	0.521	51%	0.508	S	S	.	.	H	α-helix	trans	-64.5	-41.6	176.5	-54.4	0	0	0	0	111	Q480 I481 S487 A488	Q480-T484 WeakPolarHBondContact O-CB 3.28Å; Q480-T484 PolarHBondContact O-N 3.03Å; Q480-T484 PolarHBondContact O-OG1 3.07Å; I481-T484 PolarHBondContact O-N 2.88Å; T484-S487 PolarHBondContact O-N 3Å; T484-A488 WeakPolarHBondContact O-CB 3.49Å; T484-A488 PolarHBondContact O-N 2.7Å
485	R	63.3	Low	68.3	Low	179 Å²	179	99.8 Å²	99.8	68%	0.675	49%	0.49	S	S	*	.	H	α-helix	trans	-61.9	-45.9	174.5	-76.1	175.1	176.7	179.8	-0.8	111.8	I481 E482 S487 A488 S489	I481-R485 HydrophobicContact CG2-CG 4.43Å; I481-R485 WeakPolarHBondContact O-CB 3.5Å; I481-R485 VanDerWaalsContact O-CG 3.25Å; I481-R485 WeakPolarHBondContact O-CG 3.45Å; I481-R485 PolarHBondContact O-N 3.14Å; E482-R485 PolarHBondContact O-N 3.22Å; R485-S487 VanDerWaalsContact C-N 3.33Å; R485-S487 PolarHBondContact O-N 2.83Å; R485-A488 PolarHBondContact O-N 3.15Å; R485-S489 VanDerWaalsContact O-CB 3.29Å; R485-S489 WeakPolarHBondContact O-CB 3.4Å; R485-S489 PolarHBondContact O-N 2.88Å; R485-S489 PolarHBondContact O-OG 3.09Å
486	H	59.2	Low	68.5	Low	120 Å²	120	90.5 Å²	90.5	56%	0.556	46%	0.455	S	S	*	.	H	α-helix	trans	-65.9	-34	175.7	-85.4	-51.6	0	0	0	113.3	E482 L483 S489 R490	E482-H486 WeakPolarHBondContact O-CB 3.15Å; E482-H486 PolarHBondContact O-CD2 3.07Å; E482-H486 PolarHBondContact O-N 2.99Å; L483-H486 PolarHBondContact O-N 3.29Å; H486-S489 WeakPolarHBondContact CA-OG 3.42Å; H486-S489 PolarHBondContact O-OG 2.92Å; H486-R490 WeakPolarHBondContact O-CG 3.47Å; H486-R490 PolarHBondContact O-N 2.83Å
487	S	57.5	Low	68.8	Low	60 Å²	60	89.8 Å²	89.8	42%	0.42	45%	0.452	S	S	.	.	H	α-helix	trans	-68.1	-50.8	175.8	-55	0	0	0	0	110.1	L483 T484 R485 S489 R490 I491	L483-S487 VanDerWaalsContact O-CB 3.3Å; L483-S487 WeakPolarHBondContact O-CB 3.46Å; L483-S487 PolarHBondContact O-N 3.01Å; L483-S487 PolarHBondContact O-OG 2.82Å; T484-S487 PolarHBondContact O-N 3Å; R485-S487 VanDerWaalsContact C-N 3.33Å; R485-S487 PolarHBondContact O-N 2.83Å; S487-S489 VanDerWaalsContact C-N 3.31Å; S487-S489 PolarHBondContact O-N 3.13Å; S487-R490 PolarHBondContact O-N 3.06Å; S487-R490 VanDerWaalsContact O-N 3.14Å; S487-I491 WeakPolarHBondContact O-CD1 3.46Å; S487-I491 WeakPolarHBondContact O-CG1 3.4Å; S487-I491 PolarHBondContact O-N 3Å
488	A	56.7	Low	69.3	Low	46 Å²	46	93.3 Å²	93.3	38%	0.38	46%	0.464	S	S	.	.	H	α-helix	trans	-59.8	-41.1	176.8	0	0	0	0	0	111.8	T484 R485 R490 I491 Q492	T484-A488 WeakPolarHBondContact O-CB 3.49Å; T484-A488 PolarHBondContact O-N 2.7Å; R485-A488 PolarHBondContact O-N 3.15Å; A488-R490 VanDerWaalsContact C-N 3.27Å; A488-R490 PolarHBondContact O-N 2.83Å; A488-I491 PolarHBondContact O-N 2.91Å; A488-Q492 PolarHBondContact O-N 2.85Å
489	S	55.3	Low	69.8	Low	66 Å²	66	88 Å²	88	46%	0.462	44%	0.44	S	S	.	.	H	α-helix	trans	-66.9	-24.7	178.3	80	0	0	0	0	113.4	R485 H486 S487 P493	R485-S489 VanDerWaalsContact O-CB 3.29Å; R485-S489 WeakPolarHBondContact O-CB 3.4Å; R485-S489 PolarHBondContact O-N 2.88Å; R485-S489 PolarHBondContact O-OG 3.09Å; H486-S489 WeakPolarHBondContact CA-OG 3.42Å; H486-S489 PolarHBondContact O-OG 2.92Å; S487-S489 VanDerWaalsContact C-N 3.31Å; S487-S489 PolarHBondContact O-N 3.13Å; S489-P493 WeakPolarHBondContact O-CD 3.49Å
490	R	57.5	Low	70.1	Confident	199 Å²	199	82.5 Å²	82.5	75%	0.751	41%	0.414	S	S	*	.	H	α-helix	trans	-87.9	-32	174.5	-75.1	-177.3	177.6	-170.1	1.2	113	H486 S487 A488	H486-R490 WeakPolarHBondContact O-CG 3.47Å; H486-R490 PolarHBondContact O-N 2.83Å; S487-R490 PolarHBondContact O-N 3.06Å; S487-R490 VanDerWaalsContact O-N 3.14Å; A488-R490 VanDerWaalsContact C-N 3.27Å; A488-R490 PolarHBondContact O-N 2.83Å
491	I	60.8	Low	70.7	Confident	90 Å²	90	82.6 Å²	82.6	46%	0.462	42%	0.422	S	S	.	.	H	α-helix	trans	-68.6	-43.7	-177.6	-69.3	161.8	0	0	0	110.9	S487 A488 S494 L495	S487-I491 WeakPolarHBondContact O-CD1 3.46Å; S487-I491 WeakPolarHBondContact O-CG1 3.4Å; S487-I491 PolarHBondContact O-N 3Å; A488-I491 PolarHBondContact O-N 2.91Å; I491-S494 WeakPolarHBondContact O-CB 3.27Å; I491-S494 PolarHBondContact O-N 3.34Å; I491-S494 PolarHBondContact O-OG 3.07Å; I491-L495 HydrophobicContact CG2-CD1 3.67Å; I491-L495 HydrophobicContact CG2-CG 4.05Å; I491-L495 PolarHBondContact O-N 2.95Å
492	Q	64.7	Low	71.3	Confident	60 Å²	60	80.9 Å²	80.9	28%	0.28	42%	0.416	S	S	.	.	H	α-helix	trans	-59.2	-50.5	-175.8	176.8	178.8	23.3	0	0	113.4	Q455 A488 S494 L495 E496	Q455-Q492 VanDerWaalsContact CD-CD 3.48Å; A488-Q492 PolarHBondContact O-N 2.85Å; Q492-S494 PolarHBondContact O-N 3.14Å; Q492-L495 PolarHBondContact O-N 2.76Å; Q492-E496 WeakPolarHBondContact O-CB 3.15Å; Q492-E496 WeakPolarHBondContact O-CG 3.37Å; Q492-E496 PolarHBondContact O-N 3.43Å
493	P	66.9	Low	72	Confident	59 Å²	59	75.5 Å²	75.5	38%	0.383	39%	0.391	S	S	.	.	H	α-helix	trans	-59.4	-29.6	174.6	-25	34	0	0	0	113.7	S489 K497	S489-P493 WeakPolarHBondContact O-CD 3.49Å; P493-K497 WeakPolarHBondContact O-CB 3.3Å; P493-K497 PolarHBondContact O-N 2.87Å
494	S	74.4	Confident	72.8	Confident	68 Å²	68	71 Å²	71	48%	0.476	37%	0.369	S	S	.	.	H	α-helix	trans	-75.3	-40.3	-179.8	77.8	0	0	0	0	113	I491 Q492 K498	I491-S494 WeakPolarHBondContact O-CB 3.27Å; I491-S494 PolarHBondContact O-N 3.34Å; I491-S494 PolarHBondContact O-OG 3.07Å; Q492-S494 PolarHBondContact O-N 3.14Å; S494-K498 PolarHBondContact O-N 3.27Å; S494-K498 VanDerWaalsContact O-N 3.09Å
495	L	76.9	Confident	73.7	Confident	63 Å²	63	69.7 Å²	69.7	33%	0.33	37%	0.367	S	S	.	.	H	α-helix	trans	-67.9	-45.1	175	-70.5	173.8	0	0	0	110.7	I491 Q492 K497 K498 A499	I491-L495 HydrophobicContact CG2-CD1 3.67Å; I491-L495 HydrophobicContact CG2-CG 4.05Å; I491-L495 PolarHBondContact O-N 2.95Å; Q492-L495 PolarHBondContact O-N 2.76Å; L495-K497 PolarHBondContact O-N 3.49Å; L495-K498 WeakPolarHBondContact O-CB 3.23Å; L495-K498 PolarHBondContact O-N 3.36Å; L495-A499 PolarHBondContact O-N 3.19Å
496	E	79.2	Confident	74.9	Confident	6 Å²	6	61.6 Å²	61.6	3%	0.028	34%	0.338	C	S	.	.	H	α-helix	trans	-57.2	-49.3	174.8	-78.5	-165.5	-169.3	0	0	111.2	I413 G414 W448 R452 Q492 K498 A499 L500	I413-E496 WeakPolarHBondContact CA-OE2 3.44Å; G414-E496 PolarHBondContact N-OE2 3.4Å; W448-E496 HydrophobicContact CH2-CB 3.97Å; W448-E496 HydrophobicContact CH2-CG 3.94Å; W448-E496 VanDerWaalsContact CZ3-CA 3.48Å; W448-E496 HydrophobicContact CZ3-CB 3.5Å; W448-E496 VanDerWaalsContact CZ3-CB 3.5Å; W448-E496 HydrophobicContact CZ3-CG 3.69Å; W448-E496 VanDerWaalsContact CZ3-O 3.28Å; W448-E496 WeakPolarHBondContact CZ3-O 3.5Å; R452-E496 HydrophobicContact CG-CG 4.45Å; R452-E496 IonicContact CZ-OE1 3.83Å; R452-E496 IonicContact CZ-OE2 2.83Å; R452-E496 IonicContact NE-OE1 3.49Å; R452-E496 PolarHBondContact NE-OE1 3.46Å; R452-E496 IonicContact NE-OE2 3.51Å; R452-E496 IonicContact NH2-OE1 3.49Å; R452-E496 PolarHBondContact NH2-OE1 3.11Å; R452-E496 IonicContact NH2-OE2 2.73Å; R452-E496 PolarHBondContact NH2-OE2 2.99Å; Q492-E496 WeakPolarHBondContact O-CB 3.15Å; Q492-E496 WeakPolarHBondContact O-CG 3.37Å; Q492-E496 PolarHBondContact O-N 3.43Å; E496-K498 VanDerWaalsContact C-N 3.27Å; E496-K498 PolarHBondContact O-N 2.81Å; E496-A499 PolarHBondContact O-N 2.77Å; E496-L500 WeakPolarHBondContact O-CB 3.42Å; E496-L500 WeakPolarHBondContact O-CG 3.31Å; E496-L500 PolarHBondContact O-N 3.3Å
497	K	83.2	Confident	76.3	Confident	117 Å²	117	55.9 Å²	55.9	51%	0.509	31%	0.312	S	S	.	.	H	α-helix	trans	-59.5	-37.7	178.1	-175	173.1	-176.1	-179.4	0	112.7	L410 I413 P493 L495 S501	L410-K497 HydrophobicContact CD2-CD 4.43Å; L410-K497 HydrophobicContact CD2-CG 3.84Å; I413-K497 HydrophobicContact CD1-CB 4.38Å; P493-K497 WeakPolarHBondContact O-CB 3.3Å; P493-K497 PolarHBondContact O-N 2.87Å; L495-K497 PolarHBondContact O-N 3.49Å; K497-S501 WeakPolarHBondContact O-CB 3.35Å; K497-S501 PolarHBondContact O-N 3.47Å; K497-S501 PolarHBondContact O-OG 2.88Å
498	K	85.1	Confident	77.7	Confident	147 Å²	147	54.6 Å²	54.6	64%	0.639	31%	0.305	S	S	*	.	H	α-helix	trans	-65.7	-50	176.4	-174.2	-177.4	176	-171.7	0	110.8	S494 L495 E496 L500 S501 S502	S494-K498 PolarHBondContact O-N 3.27Å; S494-K498 VanDerWaalsContact O-N 3.09Å; L495-K498 WeakPolarHBondContact O-CB 3.23Å; L495-K498 PolarHBondContact O-N 3.36Å; E496-K498 VanDerWaalsContact C-N 3.27Å; E496-K498 PolarHBondContact O-N 2.81Å; K498-L500 PolarHBondContact O-N 3.49Å; K498-S501 WeakPolarHBondContact O-CA 3.22Å; K498-S501 VanDerWaalsContact O-CB 3.3Å; K498-S501 WeakPolarHBondContact O-CB 3.12Å; K498-S501 PolarHBondContact O-N 3.46Å; K498-S502 PolarHBondContact O-N 3.35Å; K498-S502 PolarHBondContact O-OG 2.78Å
499	A	84.8	Confident	79.1	Confident	4 Å²	4	55.3 Å²	55.3	3%	0.033	31%	0.307	C	S	.	.	H	α-helix	trans	-66.3	-35.3	-179.8	0	0	0	0	0	112.9	E447 W448 L495 E496 S501 S502 L503	E447-A499 HydrophobicContact CB-CB 4.36Å; W448-A499 HydrophobicContact CB-CB 4.12Å; W448-A499 HydrophobicContact CE3-CB 3.82Å; L495-A499 PolarHBondContact O-N 3.19Å; E496-A499 PolarHBondContact O-N 2.77Å; A499-S501 VanDerWaalsContact C-N 3.27Å; A499-S501 PolarHBondContact O-N 3.2Å; A499-S502 WeakPolarHBondContact O-CB 3.29Å; A499-S502 PolarHBondContact O-N 2.73Å; A499-L503 WeakPolarHBondContact O-CB 3.01Å; A499-L503 PolarHBondContact O-N 3.49Å
500	L	85.4	Confident	80.6	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-32.2	170.2	-72.1	167.4	0	0	0	112.7	F409 L412 I413 W448 E496 K498 L503 S504	F409-L500 WeakPolarHBondContact O-CD1 3.36Å; L412-L500 HydrophobicContact CB-CD1 4.4Å; L412-L500 HydrophobicContact CB-CD2 3.97Å; L412-L500 HydrophobicContact CD1-CD2 3.86Å; L412-L500 HydrophobicContact CG-CD2 4.44Å; I413-L500 HydrophobicContact CD1-CD1 4.14Å; I413-L500 HydrophobicContact CG1-CD1 3.41Å; I413-L500 VanDerWaalsContact CG1-CD1 3.41Å; W448-L500 HydrophobicContact CD2-CD2 4.1Å; W448-L500 HydrophobicContact CD2-CG 4.37Å; W448-L500 HydrophobicContact CE3-CD1 4.45Å; W448-L500 HydrophobicContact CE3-CD2 3.89Å; W448-L500 HydrophobicContact CE3-CG 3.66Å; W448-L500 HydrophobicContact CH2-CD1 3.63Å; W448-L500 HydrophobicContact CH2-CD2 3.82Å; W448-L500 HydrophobicContact CH2-CG 3.68Å; W448-L500 HydrophobicContact CZ2-CD2 4.02Å; W448-L500 HydrophobicContact CZ2-CG 4.38Å; W448-L500 HydrophobicContact CZ3-CB 4.5Å; W448-L500 HydrophobicContact CZ3-CD1 3.59Å; W448-L500 HydrophobicContact CZ3-CD2 3.76Å; W448-L500 HydrophobicContact CZ3-CG 3.28Å; E496-L500 WeakPolarHBondContact O-CB 3.42Å; E496-L500 WeakPolarHBondContact O-CG 3.31Å; E496-L500 PolarHBondContact O-N 3.3Å; K498-L500 PolarHBondContact O-N 3.49Å; L500-L503 HydrophobicContact CD2-CD2 4.41Å; L500-L503 PolarHBondContact O-N 3Å; L500-S504 WeakPolarHBondContact O-CB 3.25Å; L500-S504 PolarHBondContact O-N 2.87Å
501	S	86.1	Confident	82.1	Confident	66 Å²	66	43.1 Å²	43.1	46%	0.462	25%	0.251	S	S	.	.	H	α-helix	trans	-68.2	-41.5	174.2	-57.6	0	0	0	0	110.9	K497 K498 A499 S504 A505	K497-S501 WeakPolarHBondContact O-CB 3.35Å; K497-S501 PolarHBondContact O-N 3.47Å; K497-S501 PolarHBondContact O-OG 2.88Å; K498-S501 WeakPolarHBondContact O-CA 3.22Å; K498-S501 VanDerWaalsContact O-CB 3.3Å; K498-S501 WeakPolarHBondContact O-CB 3.12Å; K498-S501 PolarHBondContact O-N 3.46Å; A499-S501 VanDerWaalsContact C-N 3.27Å; A499-S501 PolarHBondContact O-N 3.2Å; S501-S504 PolarHBondContact O-N 3.11Å; S501-A505 WeakPolarHBondContact O-CB 3.28Å; S501-A505 PolarHBondContact O-N 3.04Å
502	S	87.3	Confident	83.2	Confident	35 Å²	35	43.2 Å²	43.2	25%	0.245	25%	0.25	C	C	.	.	H	α-helix	trans	-59.1	-46.5	170.7	-59.8	0	0	0	0	111.5	E447 K498 A499 A505 A506	E447-S502 WeakPolarHBondContact OE2-CB 3.42Å; E447-S502 PolarHBondContact OE2-OG 3.24Å; K498-S502 PolarHBondContact O-N 3.35Å; K498-S502 PolarHBondContact O-OG 2.78Å; A499-S502 WeakPolarHBondContact O-CB 3.29Å; A499-S502 PolarHBondContact O-N 2.73Å; S502-A505 PolarHBondContact O-N 3.22Å; S502-A506 PolarHBondContact O-N 2.7Å
503	L	87	Confident	84	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-46.8	179.6	-172	65	0	0	0	111.5	F409 L441 A444 M445 A499 L500 A505 A506 F507	F409-L503 HydrophobicContact CD1-CD2 4.12Å; F409-L503 HydrophobicContact CD1-CG 4.31Å; F409-L503 HydrophobicContact CE1-CD2 3.98Å; F409-L503 HydrophobicContact CE1-CG 3.93Å; L441-L503 HydrophobicContact CD1-CD1 3.89Å; A444-L503 HydrophobicContact CB-CB 4.4Å; A444-L503 HydrophobicContact CB-CD1 4.25Å; M445-L503 HydrophobicContact CG-CD1 3.79Å; A499-L503 WeakPolarHBondContact O-CB 3.01Å; A499-L503 PolarHBondContact O-N 3.49Å; L500-L503 HydrophobicContact CD2-CD2 4.41Å; L500-L503 PolarHBondContact O-N 3Å; L503-A505 VanDerWaalsContact C-N 3.31Å; L503-A505 PolarHBondContact O-N 2.85Å; L503-A506 PolarHBondContact O-N 3.02Å; L503-F507 HydrophobicContact CD1-CD2 4.16Å; L503-F507 HydrophobicContact CD1-CE2 3.84Å; L503-F507 HydrophobicContact CG-CD2 4.03Å; L503-F507 HydrophobicContact CG-CE2 3.97Å; L503-F507 WeakPolarHBondContact O-CD2 3.23Å; L503-F507 PolarHBondContact O-N 2.92Å
504	S	88.3	Confident	84.7	Confident	16 Å²	16	38.6 Å²	38.6	11%	0.112	23%	0.225	C	C	.	.	H	α-helix	trans	-56.6	-43.6	173.3	162.5	0	0	0	0	111.7	W405 L500 S501 F507 A508	W405-S504 PolarHBondContact NE1-OG 2.79Å; L500-S504 WeakPolarHBondContact O-CB 3.25Å; L500-S504 PolarHBondContact O-N 2.87Å; S501-S504 PolarHBondContact O-N 3.11Å; S504-F507 PolarHBondContact O-N 3.47Å; S504-A508 WeakPolarHBondContact O-CB 3.33Å; S504-A508 PolarHBondContact O-N 2.99Å
505	A	87.7	Confident	85.1	Confident	58 Å²	58	37.4 Å²	37.4	48%	0.479	22%	0.217	S	C	.	.	H	α-helix	trans	-67	-41.2	178.3	0	0	0	0	0	112.2	S501 S502 L503 A508 S509	S501-A505 WeakPolarHBondContact O-CB 3.28Å; S501-A505 PolarHBondContact O-N 3.04Å; S502-A505 PolarHBondContact O-N 3.22Å; L503-A505 VanDerWaalsContact C-N 3.31Å; L503-A505 PolarHBondContact O-N 2.85Å; A505-A508 PolarHBondContact O-N 3.1Å; A505-S509 PolarHBondContact O-N 2.89Å
506	A	88.5	Confident	85.2	Confident	9 Å²	9	36.9 Å²	36.9	7%	0.074	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-46.1	175.4	0	0	0	0	0	111.5	L441 A444 S502 L503 S509 L510	L441-A506 HydrophobicContact CB-CB 4.43Å; L441-A506 HydrophobicContact CD1-CB 4.21Å; A444-A506 HydrophobicContact CB-CB 3.94Å; S502-A506 PolarHBondContact O-N 2.7Å; L503-A506 PolarHBondContact O-N 3.02Å; A506-S509 PolarHBondContact O-N 3.32Å; A506-S509 PolarHBondContact O-OG 3.26Å; A506-L510 PolarHBondContact O-N 2.92Å
507	F	88.7	Confident	85.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.1	-42.7	174	-88.3	-69.4	0	0	0	112.8	G367 V370 L371 L374 W405 F409 L441 L503 S504 S509 L510 L511	G367-F507 WeakPolarHBondContact O-CE1 3.28Å; V370-F507 HydrophobicContact CB-CE1 4.15Å; V370-F507 HydrophobicContact CB-CZ 4.19Å; V370-F507 HydrophobicContact CG1-CE1 4.36Å; V370-F507 HydrophobicContact CG1-CZ 3.89Å; L371-F507 HydrophobicContact CB-CD1 4.31Å; L371-F507 HydrophobicContact CB-CE1 3.8Å; L371-F507 HydrophobicContact CB-CZ 4.34Å; L371-F507 HydrophobicContact CD1-CE1 4.44Å; L371-F507 HydrophobicContact CD1-CZ 4.48Å; L374-F507 HydrophobicContact CD1-CE2 3.45Å; L374-F507 VanDerWaalsContact CD1-CE2 3.45Å; L374-F507 HydrophobicContact CD1-CZ 3.44Å; L374-F507 VanDerWaalsContact CD1-CZ 3.44Å; W405-F507 HydrophobicContact CH2-CB 3.72Å; W405-F507 HydrophobicContact CH2-CG 4.48Å; W405-F507 HydrophobicContact CZ2-CB 3.66Å; F409-F507 AromaticContact CE1-CD2 3.68Å; F409-F507 HydrophobicContact CE1-CD2 3.68Å; F409-F507 HydrophobicContact CE1-CE2 4.08Å; F409-F507 HydrophobicContact CZ-CB 4.19Å; F409-F507 AromaticContact CZ-CD2 3.55Å; F409-F507 HydrophobicContact CZ-CD2 3.55Å; F409-F507 HydrophobicContact CZ-CE2 4.2Å; F409-F507 HydrophobicContact CZ-CG 4.04Å; L441-F507 HydrophobicContact CD1-CD2 3.96Å; L441-F507 HydrophobicContact CD1-CE1 4.25Å; L441-F507 HydrophobicContact CD1-CE2 3.66Å; L441-F507 HydrophobicContact CD1-CG 4.37Å; L441-F507 HydrophobicContact CD1-CZ 3.81Å; L503-F507 HydrophobicContact CD1-CD2 4.16Å; L503-F507 HydrophobicContact CD1-CE2 3.84Å; L503-F507 HydrophobicContact CG-CD2 4.03Å; L503-F507 HydrophobicContact CG-CE2 3.97Å; L503-F507 WeakPolarHBondContact O-CD2 3.23Å; L503-F507 PolarHBondContact O-N 2.92Å; S504-F507 PolarHBondContact O-N 3.47Å; F507-S509 PolarHBondContact O-N 3.32Å; F507-L510 PolarHBondContact O-N 3.18Å; F507-L511 HydrophobicContact CB-CD1 4.23Å; F507-L511 HydrophobicContact CD1-CD1 3.84Å; F507-L511 HydrophobicContact CG-CD1 4.47Å; F507-L511 VanDerWaalsContact O-CB 3.31Å; F507-L511 WeakPolarHBondContact O-CB 3.21Å; F507-L511 WeakPolarHBondContact O-CG 3.34Å; F507-L511 PolarHBondContact O-N 3.45Å
508	A	87.7	Confident	85	Confident	32 Å²	32	33.1 Å²	33.1	26%	0.264	20%	0.204	S	C	.	.	H	α-helix	trans	-60.6	-30.5	177.5	0	0	0	0	0	112.6	V400 S504 A505	V400-A508 HydrophobicContact CG1-CB 3.77Å; S504-A508 WeakPolarHBondContact O-CB 3.33Å; S504-A508 PolarHBondContact O-N 2.99Å; A505-A508 PolarHBondContact O-N 3.1Å
509	S	86.5	Confident	85.1	Confident	61 Å²	61	26.3 Å²	26.3	43%	0.427	17%	0.174	S	C	.	.	H	α-helix	trans	-70.4	-33.1	174.6	80.1	0	0	0	0	113.3	A505 A506 F507	A505-S509 PolarHBondContact O-N 2.89Å; A506-S509 PolarHBondContact O-N 3.32Å; A506-S509 PolarHBondContact O-OG 3.26Å; F507-S509 PolarHBondContact O-N 3.32Å
510	L	86.9	Confident	85.2	Confident	9 Å²	9	28.1 Å²	28.1	5%	0.047	18%	0.181	C	C	.	.	H	α-helix	trans	-83.8	-37.3	178.9	-66	172.6	0	0	0	112.2	N363 F364 F366 P436 L441 A506 F507 Q512	N363-L510 HydrophobicContact CB-CD2 3.97Å; F364-L510 WeakPolarHBondContact CA-O 3.33Å; F366-L510 HydrophobicContact CD1-CD1 4.33Å; P436-L510 HydrophobicContact CB-CD2 4.12Å; L441-L510 HydrophobicContact CB-CD1 4.14Å; L441-L510 HydrophobicContact CD2-CD1 3.9Å; L441-L510 HydrophobicContact CG-CD1 4.48Å; A506-L510 PolarHBondContact O-N 2.92Å; F507-L510 PolarHBondContact O-N 3.18Å; L510-Q512 VanDerWaalsContact C-N 3.3Å; L510-Q512 PolarHBondContact O-N 2.73Å
511	L	88.3	Confident	85.2	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.202	C	C	.	.			trans	-94.8	41.7	-171.7	-66	170.6	0	0	0	112.3	F364 I368 L371 M394 V400 W405 F507	F364-L511 HydrophobicContact CD2-CD2 4.15Å; F364-L511 HydrophobicContact CE2-CD2 4.3Å; F364-L511 WeakPolarHBondContact O-CD2 3.42Å; I368-L511 HydrophobicContact CG1-CD2 3.64Å; L371-L511 HydrophobicContact CD2-CD1 3.91Å; M394-L511 HydrophobicContact CG-CD1 4.36Å; M394-L511 HydrophobicContact CG-CD2 4.21Å; M394-L511 HydrophobicContact SD-CD1 3.84Å; V400-L511 HydrophobicContact CG2-CB 4.4Å; W405-L511 HydrophobicContact CH2-CD1 3.83Å; W405-L511 HydrophobicContact CZ3-CD1 4.23Å; F507-L511 HydrophobicContact CB-CD1 4.23Å; F507-L511 HydrophobicContact CD1-CD1 3.84Å; F507-L511 HydrophobicContact CG-CD1 4.47Å; F507-L511 VanDerWaalsContact O-CB 3.31Å; F507-L511 WeakPolarHBondContact O-CB 3.21Å; F507-L511 WeakPolarHBondContact O-CG 3.34Å; F507-L511 PolarHBondContact O-N 3.45Å
512	Q	83.1	Confident	85.4	Confident	92 Å²	92	30.8 Å²	30.8	43%	0.43	18%	0.182	S	C	.	.			trans	-63.5	132.3	174.4	-65.3	-166.2	-2.3	0	0	110.1	F364 L510	F364-Q512 VanDerWaalsContact CD2-O 3.3Å; F364-Q512 WeakPolarHBondContact CD2-O 2.97Å; L510-Q512 VanDerWaalsContact C-N 3.3Å; L510-Q512 PolarHBondContact O-N 2.73Å
513	P	82.4	Confident	85.6	Confident	18 Å²	18	29.1 Å²	29.1	12%	0.117	17%	0.17	C	C	.	.			trans	-59.1	132.3	-177.7	-25.7	33.6	0	0	0	111.3	S515 T516	P513-S515 PolarHBondContact O-N 3.17Å; P513-T516 PolarHBondContact O-N 2.98Å; P513-T516 PolarHBondContact O-OG1 3.11Å
514	P	82.5	Confident	85.9	Confident	5 Å²	5	29.3 Å²	29.3	3%	0.032	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-55	-23.2	-176.5	-27.6	34.6	0	0	0	114.9	F364 Q395 T516 L517 Y520 Y524	F364-P514 HydrophobicContact CE1-CG 4.26Å; F364-P514 HydrophobicContact CE2-CG 4.29Å; F364-P514 HydrophobicContact CZ-CG 4.06Å; Q395-P514 HydrophobicContact CG-CG 3.95Å; P514-T516 PolarHBondContact O-N 3.27Å; P514-L517 HydrophobicContact CB-CD1 3.97Å; P514-L517 VanDerWaalsContact O-CB 3.24Å; P514-L517 WeakPolarHBondContact O-CB 3.09Å; P514-L517 WeakPolarHBondContact O-CD1 3.44Å; P514-L517 WeakPolarHBondContact O-CG 3.37Å; P514-L517 PolarHBondContact O-N 3.4Å; P514-Y520 VanDerWaalsContact C-CD2 3.43Å; P514-Y520 HydrophobicContact CB-CD2 4.14Å; P514-Y520 HydrophobicContact CB-CE2 4.22Å; P514-Y520 WeakPolarHBondContact O-CD2 3.35Å; P514-Y524 HydrophobicContact CB-CD2 4.47Å; P514-Y524 HydrophobicContact CB-CE1 3.98Å; P514-Y524 HydrophobicContact CB-CE2 3.73Å; P514-Y524 VanDerWaalsContact CB-CZ 3.44Å; P514-Y524 WeakPolarHBondContact CB-OH 3.41Å; P514-Y524 HydrophobicContact CG-CE1 4.27Å
515	S	81	Confident	86	Confident	42 Å²	42	28.9 Å²	28.9	29%	0.294	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-53.7	-16.4	170.6	65.8	0	0	0	0	115.1	P513	P513-S515 PolarHBondContact O-N 3.17Å
516	T	78.8	Confident	85.8	Confident	53 Å²	53	30.4 Å²	30.4	33%	0.325	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-82.1	-15.1	174.4	57.9	0	0	0	0	113.7	K336 P513 P514	K336-T516 VanDerWaalsContact NZ-CG2 3.26Å; P513-T516 PolarHBondContact O-N 2.98Å; P513-T516 PolarHBondContact O-OG1 3.11Å; P514-T516 PolarHBondContact O-N 3.27Å
517	L	79.7	Confident	85.2	Confident	15 Å²	15	33.2 Å²	33.2	8%	0.079	18%	0.18	C	C	.	.	S	Bend	trans	-67	135.3	-178.4	-61.2	168.3	0	0	0	111	Y357 L360 P514 L519 Y520 Y524	Y357-L517 HydrophobicContact CD2-CD1 3.88Å; Y357-L517 HydrophobicContact CE2-CD1 4Å; L360-L517 HydrophobicContact CB-CD2 3.55Å; L360-L517 HydrophobicContact CD1-CD2 3.41Å; L360-L517 VanDerWaalsContact CD1-CD2 3.41Å; L360-L517 HydrophobicContact CG-CD2 4.12Å; P514-L517 HydrophobicContact CB-CD1 3.97Å; P514-L517 VanDerWaalsContact O-CB 3.24Å; P514-L517 WeakPolarHBondContact O-CB 3.09Å; P514-L517 WeakPolarHBondContact O-CD1 3.44Å; P514-L517 WeakPolarHBondContact O-CG 3.37Å; P514-L517 PolarHBondContact O-N 3.4Å; L517-L519 PolarHBondContact O-N 3.48Å; L517-Y520 VanDerWaalsContact O-CB 3.31Å; L517-Y520 WeakPolarHBondContact O-CB 3.2Å; L517-Y520 PolarHBondContact O-N 3.07Å; L517-Y524 HydrophobicContact CD1-CE2 4.08Å
518	S	80.4	Confident	84.5	Confident	29 Å²	29	38.7 Å²	38.7	20%	0.203	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-36.6	172.7	51.4	0	0	0	0	112.4	E356	E356-S518 PolarHBondContact OE2-OG 2.82Å
519	L	86.5	Confident	83.6	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.016	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	9.3	178.6	-62.1	-178.9	0	0	0	114.8	F264 R310 A353 Y357 L517 R521 A522 T523	F264-L519 HydrophobicContact CE2-CD1 4.26Å; R310-L519 HydrophobicContact CB-CD2 4.28Å; A353-L519 HydrophobicContact CB-CD1 4.29Å; A353-L519 HydrophobicContact CB-CD2 4.06Å; A353-L519 HydrophobicContact CB-CG 4.04Å; Y357-L519 HydrophobicContact CD2-CB 4.33Å; Y357-L519 HydrophobicContact CG-CD1 4.4Å; L517-L519 PolarHBondContact O-N 3.48Å; L519-R521 PolarHBondContact O-N 2.94Å; L519-A522 WeakPolarHBondContact O-CB 2.85Å; L519-A522 PolarHBondContact O-N 3.19Å; L519-T523 HydrophobicContact CB-CG2 4.07Å; L519-T523 PolarHBondContact O-N 3.19Å; L519-T523 PolarHBondContact O-OG1 3.04Å
520	Y	87	Confident	82.8	Confident	43 Å²	43	39 Å²	39	17%	0.169	21%	0.205	C	C	.	.	H	α-helix	trans	-51.8	-52.6	-173.8	177.8	-102.4	0	0	0	112.7	P514 L517 A522 T523 Y524 D526	P514-Y520 VanDerWaalsContact C-CD2 3.43Å; P514-Y520 HydrophobicContact CB-CD2 4.14Å; P514-Y520 HydrophobicContact CB-CE2 4.22Å; P514-Y520 WeakPolarHBondContact O-CD2 3.35Å; L517-Y520 VanDerWaalsContact O-CB 3.31Å; L517-Y520 WeakPolarHBondContact O-CB 3.2Å; L517-Y520 PolarHBondContact O-N 3.07Å; Y520-A522 VanDerWaalsContact C-N 3.25Å; Y520-A522 PolarHBondContact O-N 2.91Å; Y520-T523 PolarHBondContact O-N 3.06Å; Y520-T523 VanDerWaalsContact O-N 3.13Å; Y520-T523 PolarHBondContact O-OG1 3.42Å; Y520-Y524 HydrophobicContact CD2-CD1 4.45Å; Y520-Y524 AromaticContact CD2-CD2 3.41Å; Y520-Y524 HydrophobicContact CD2-CD2 3.41Å; Y520-Y524 VanDerWaalsContact CD2-CD2 3.41Å; Y520-Y524 HydrophobicContact CD2-CE2 4.07Å; Y520-Y524 AromaticContact CD2-CG 3.65Å; Y520-Y524 HydrophobicContact CD2-CG 3.65Å; Y520-Y524 AromaticContact CE2-CD1 3.93Å; Y520-Y524 HydrophobicContact CE2-CD1 3.93Å; Y520-Y524 AromaticContact CE2-CD2 3.74Å; Y520-Y524 HydrophobicContact CE2-CD2 3.74Å; Y520-Y524 HydrophobicContact CE2-CE2 4.44Å; Y520-Y524 AromaticContact CE2-CG 3.45Å; Y520-Y524 HydrophobicContact CE2-CG 3.45Å; Y520-Y524 VanDerWaalsContact CE2-CG 3.45Å; Y520-Y524 HydrophobicContact CG-CD2 4.32Å; Y520-Y524 WeakPolarHBondContact O-CB 3.5Å; Y520-Y524 PolarHBondContact O-N 2.95Å; Y520-D526 PolarHBondContact OH-OD2 3.19Å; Y520-D526 VanDerWaalsContact OH-OD2 3.05Å
521	R	85.8	Confident	82.1	Confident	120 Å²	120	38.5 Å²	38.5	45%	0.453	20%	0.203	S	C	.	.	H	α-helix	trans	-63.3	-29.9	179.7	-72	-173.1	175.4	-179.4	-3.1	113.3	N305 T332 L519	N305-R521 PolarHBondContact ND2-O 3.29Å; T332-R521 PolarHBondContact OG1-NH1 3.31Å; L519-R521 PolarHBondContact O-N 2.94Å
522	A	89.4	Confident	81.2	Confident	4 Å²	4	41.6 Å²	41.6	3%	0.033	22%	0.219	C	C	.	.	H	α-helix	trans	-75.3	-32.2	177.7	0	0	0	0	0	111.8	H301 A307 R310 C311 L519 Y520	H301-A522 PolarHBondContact NE2-O 3.3Å; A307-A522 HydrophobicContact CB-CB 4.19Å; A307-A522 WeakPolarHBondContact O-CB 3.28Å; R310-A522 HydrophobicContact CB-CB 3.89Å; C311-A522 VanDerWaalsContact CB-O 3.3Å; C311-A522 WeakPolarHBondContact CB-O 3.45Å; L519-A522 WeakPolarHBondContact O-CB 2.85Å; L519-A522 PolarHBondContact O-N 3.19Å; Y520-A522 VanDerWaalsContact C-N 3.25Å; Y520-A522 PolarHBondContact O-N 2.91Å
523	T	92.5	Very high	80.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-104	-35.7	-166.3	50.4	0	0	0	0	113.5	F264 F265 K266 Y357 L519 Y520	F264-T523 HydrophobicContact CB-CG2 4.02Å; F264-T523 HydrophobicContact CD2-CG2 4.1Å; F264-T523 HydrophobicContact CG-CG2 4.45Å; F264-T523 VanDerWaalsContact O-CB 3.22Å; F264-T523 WeakPolarHBondContact O-CB 3.16Å; F265-T523 CarbonylContact C-O 3.58Å; F265-T523 WeakPolarHBondContact CA-O 3.29Å; K266-T523 PolarHBondContact N-O 2.95Å; Y357-T523 HydrophobicContact CD2-CG2 4.34Å; Y357-T523 HydrophobicContact CE2-CG2 3.89Å; L519-T523 HydrophobicContact CB-CG2 4.07Å; L519-T523 PolarHBondContact O-N 3.19Å; L519-T523 PolarHBondContact O-OG1 3.04Å; Y520-T523 PolarHBondContact O-N 3.06Å; Y520-T523 VanDerWaalsContact O-N 3.13Å; Y520-T523 PolarHBondContact O-OG1 3.42Å
524	Y	91.8	Very high	79.5	Confident	6 Å²	6	41 Å²	41	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.6	-178.7	-74.6	-99.8	0	0	0	111.9	K266 H301 Y357 P514 L517 Y520	K266-Y524 HydrophobicContact CB-CD1 3.73Å; K266-Y524 HydrophobicContact CB-CD2 4.42Å; K266-Y524 HydrophobicContact CB-CE1 3.57Å; K266-Y524 HydrophobicContact CB-CE2 4.28Å; K266-Y524 HydrophobicContact CB-CG 4.16Å; K266-Y524 HydrophobicContact CG-CE1 4.2Å; K266-Y524 HydrophobicContact CG-CE2 4.31Å; K266-Y524 WeakPolarHBondContact O-CA 3.02Å; H301-Y524 PolarHBondContact CE1-O 3.24Å; H301-Y524 VanDerWaalsContact CE1-O 3.23Å; Y357-Y524 HydrophobicContact CE2-CE2 4.46Å; P514-Y524 HydrophobicContact CB-CD2 4.47Å; P514-Y524 HydrophobicContact CB-CE1 3.98Å; P514-Y524 HydrophobicContact CB-CE2 3.73Å; P514-Y524 VanDerWaalsContact CB-CZ 3.44Å; P514-Y524 WeakPolarHBondContact CB-OH 3.41Å; P514-Y524 HydrophobicContact CG-CE1 4.27Å; L517-Y524 HydrophobicContact CD1-CE2 4.08Å; Y520-Y524 HydrophobicContact CD2-CD1 4.45Å; Y520-Y524 AromaticContact CD2-CD2 3.41Å; Y520-Y524 HydrophobicContact CD2-CD2 3.41Å; Y520-Y524 VanDerWaalsContact CD2-CD2 3.41Å; Y520-Y524 HydrophobicContact CD2-CE2 4.07Å; Y520-Y524 AromaticContact CD2-CG 3.65Å; Y520-Y524 HydrophobicContact CD2-CG 3.65Å; Y520-Y524 AromaticContact CE2-CD1 3.93Å; Y520-Y524 HydrophobicContact CE2-CD1 3.93Å; Y520-Y524 AromaticContact CE2-CD2 3.74Å; Y520-Y524 HydrophobicContact CE2-CD2 3.74Å; Y520-Y524 HydrophobicContact CE2-CE2 4.44Å; Y520-Y524 AromaticContact CE2-CG 3.45Å; Y520-Y524 HydrophobicContact CE2-CG 3.45Å; Y520-Y524 VanDerWaalsContact CE2-CG 3.45Å; Y520-Y524 HydrophobicContact CG-CD2 4.32Å; Y520-Y524 WeakPolarHBondContact O-CB 3.5Å; Y520-Y524 PolarHBondContact O-N 2.95Å
525	Y	90.9	Very high	78.6	Confident	8 Å²	8	43 Å²	43	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	122.9	165.7	-179.6	-102.6	0	0	0	110.3	K266 L267 S268 T271 C297 E300 H301 D527 L531	K266-Y525 PolarHBondContact O-N 3.37Å; L267-Y525 HydrophobicContact CD2-CD1 4.15Å; S268-Y525 WeakPolarHBondContact CB-O 3.18Å; S268-Y525 PolarHBondContact N-O 3.3Å; S268-Y525 PolarHBondContact OG-O 3.48Å; T271-Y525 HydrophobicContact CG2-CD1 4.09Å; T271-Y525 HydrophobicContact CG2-CE1 4.32Å; T271-Y525 PolarHBondContact OG1-O 2.85Å; C297-Y525 HydrophobicContact CB-CD1 3.82Å; C297-Y525 HydrophobicContact CB-CE1 3.93Å; C297-Y525 HydrophobicContact CB-CG 4.39Å; E300-Y525 HydrophobicContact CB-CE2 4.03Å; H301-Y525 HydrophobicContact CB-CD2 3.6Å; H301-Y525 HydrophobicContact CB-CE2 4.41Å; H301-Y525 HydrophobicContact CB-CG 4.24Å; H301-Y525 AromaticContact ND1-CD2 3.83Å; Y525-D527 HydrophobicContact CE1-CB 4.47Å; Y525-D527 HydrophobicContact CE2-CB 3.86Å; Y525-D527 PolarHBondContact OH-O 3.37Å; Y525-L531 HydrophobicContact CE1-CD1 3.81Å; Y525-L531 HydrophobicContact CE1-CD2 4.23Å; Y525-L531 HydrophobicContact CE1-CG 3.9Å
526	D	82.7	Confident	77.7	Confident	89 Å²	89	44.5 Å²	44.5	48%	0.476	23%	0.234	S	C	.	.			trans	-135.8	34.3	-171.9	-157.3	16.1	0	0	0	112.4	S268 Y520	S268-D526 WeakPolarHBondContact CB-OD1 3.4Å; S268-D526 PolarHBondContact OG-OD1 2.62Å; Y520-D526 PolarHBondContact OH-OD2 3.19Å; Y520-D526 VanDerWaalsContact OH-OD2 3.05Å
527	D	76.4	Confident	76.7	Confident	69 Å²	69	44 Å²	44	37%	0.369	23%	0.232	S	C	.	.			trans	-110.5	66.7	179.6	-168.9	-1.3	0	0	0	111.6	Y525 A529 S530 L531	Y525-D527 HydrophobicContact CE1-CB 4.47Å; Y525-D527 HydrophobicContact CE2-CB 3.86Å; Y525-D527 PolarHBondContact OH-O 3.37Å; D527-A529 PolarHBondContact O-N 3.04Å; D527-S530 PolarHBondContact O-N 2.67Å; D527-S530 VanDerWaalsContact OD1-CB 3.28Å; D527-S530 WeakPolarHBondContact OD1-CB 3.44Å; D527-S530 PolarHBondContact OD1-N 2.71Å; D527-S530 WeakPolarHBondContact OD2-CB 3.45Å; D527-L531 PolarHBondContact O-N 3.17Å
528	R	74.9	Confident	75.9	Confident	115 Å²	115	45.4 Å²	45.4	43%	0.434	24%	0.243	S	C	.	.	H	α-helix	trans	-59.1	-36.3	175.4	176.2	-177	163.6	-172	-4.7	112.2	Y274 L531 D532	Y274-R528 HydrophobicContact CD2-CG 4.26Å; Y274-R528 HydrophobicContact CG-CG 4.07Å; R528-L531 WeakPolarHBondContact O-CB 3.48Å; R528-L531 PolarHBondContact O-N 2.87Å; R528-D532 WeakPolarHBondContact O-CB 3.5Å; R528-D532 PolarHBondContact O-N 3.3Å
529	A	69.2	Low	75.3	Confident	73 Å²	73	49.4 Å²	49.4	60%	0.603	26%	0.261	S	S	*	.	H	α-helix	trans	-66.9	-39.8	-174.9	0	0	0	0	0	111.7	D527 D532 S533	D527-A529 PolarHBondContact O-N 3.04Å; A529-D532 PolarHBondContact O-N 2.94Å; A529-S533 PolarHBondContact O-N 2.85Å; A529-S533 VanDerWaalsContact O-N 3.11Å
530	S	68.5	Low	74.6	Confident	25 Å²	25	52.8 Å²	52.8	18%	0.175	27%	0.273	C	S	.	.	H	α-helix	trans	-60.8	-47.3	172.7	-178.7	0	0	0	0	111.4	D527 D532 S533 I534	D527-S530 PolarHBondContact O-N 2.67Å; D527-S530 VanDerWaalsContact OD1-CB 3.28Å; D527-S530 WeakPolarHBondContact OD1-CB 3.44Å; D527-S530 PolarHBondContact OD1-N 2.71Å; D527-S530 WeakPolarHBondContact OD2-CB 3.45Å; S530-D532 PolarHBondContact O-N 2.74Å; S530-S533 PolarHBondContact O-N 2.85Å; S530-S533 PolarHBondContact O-OG 3.41Å; S530-I534 WeakPolarHBondContact O-CD1 3.36Å; S530-I534 VanDerWaalsContact O-CG1 3.25Å; S530-I534 WeakPolarHBondContact O-CG1 3.32Å; S530-I534 PolarHBondContact O-N 2.69Å
531	L	72.3	Confident	74.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-45.2	175.9	-68.1	-179.5	0	0	0	112.9	T271 Y274 L275 Y296 Y525 D527 R528 S533 I534 L535	T271-L531 HydrophobicContact CG2-CD1 3.57Å; Y274-L531 HydrophobicContact CD1-CB 4.29Å; Y274-L531 HydrophobicContact CD1-CD1 4.31Å; Y274-L531 HydrophobicContact CE1-CB 3.93Å; L275-L531 HydrophobicContact CD2-CD1 4.45Å; Y296-L531 HydrophobicContact CD1-CD2 3.64Å; Y296-L531 HydrophobicContact CE1-CD2 3.67Å; Y525-L531 HydrophobicContact CE1-CD1 3.81Å; Y525-L531 HydrophobicContact CE1-CD2 4.23Å; Y525-L531 HydrophobicContact CE1-CG 3.9Å; D527-L531 PolarHBondContact O-N 3.17Å; R528-L531 WeakPolarHBondContact O-CB 3.48Å; R528-L531 PolarHBondContact O-N 2.87Å; L531-S533 VanDerWaalsContact C-N 3.34Å; L531-S533 PolarHBondContact O-N 3.24Å; L531-I534 PolarHBondContact O-N 2.87Å; L531-L535 HydrophobicContact CB-CD1 4.28Å; L531-L535 HydrophobicContact CD2-CD1 4.36Å; L531-L535 WeakPolarHBondContact O-CB 3.45Å; L531-L535 WeakPolarHBondContact O-CG 3.22Å; L531-L535 PolarHBondContact O-N 3.49Å
532	D	69.5	Low	73.6	Confident	65 Å²	65	58.9 Å²	58.9	35%	0.348	30%	0.299	S	S	.	.	H	α-helix	trans	-58	-48.2	179.5	-163.4	46.2	0	0	0	111	Y274 R528 A529 S530 I534 E536	Y274-D532 HydrophobicContact CE2-CB 4.3Å; Y274-D532 WeakPolarHBondContact CE2-OD1 3.47Å; Y274-D532 WeakPolarHBondContact OH-CA 3.25Å; Y274-D532 PolarHBondContact OH-OD1 3.45Å; R528-D532 WeakPolarHBondContact O-CB 3.5Å; R528-D532 PolarHBondContact O-N 3.3Å; A529-D532 PolarHBondContact O-N 2.94Å; S530-D532 PolarHBondContact O-N 2.74Å; D532-I534 PolarHBondContact O-N 2.63Å; D532-I534 VanDerWaalsContact O-N 3.14Å; D532-E536 CarbonylContact O-C 3.52Å; D532-E536 PolarHBondContact O-N 2.75Å; D532-E536 VanDerWaalsContact O-N 3.07Å
533	S	64.7	Low	73.2	Confident	51 Å²	51	61 Å²	61	36%	0.357	31%	0.309	S	S	.	.	H	α-helix	trans	-65.1	-19.8	-179.7	79.1	0	0	0	0	114.7	A529 S530 L531 K542	A529-S533 PolarHBondContact O-N 2.85Å; A529-S533 VanDerWaalsContact O-N 3.11Å; S530-S533 PolarHBondContact O-N 2.85Å; S530-S533 PolarHBondContact O-OG 3.41Å; L531-S533 VanDerWaalsContact C-N 3.34Å; L531-S533 PolarHBondContact O-N 3.24Å; S533-K542 PolarHBondContact O-NZ 2.92Å
534	I	65.7	Low	72.9	Confident	47 Å²	47	62.5 Å²	62.5	24%	0.241	32%	0.317	C	S	.	.	H	α-helix	trans	-104.4	-41.4	-172.7	-66	170.5	0	0	0	111.9	F10 Y296 S530 L531 D532 P537	F10-I534 HydrophobicContact CE2-CG2 4.18Å; F10-I534 HydrophobicContact CZ-CG2 4.37Å; Y296-I534 HydrophobicContact CE1-CD1 4.49Å; Y296-I534 HydrophobicContact CE1-CG2 4.35Å; Y296-I534 WeakPolarHBondContact OH-CD1 3.35Å; S530-I534 WeakPolarHBondContact O-CD1 3.36Å; S530-I534 VanDerWaalsContact O-CG1 3.25Å; S530-I534 WeakPolarHBondContact O-CG1 3.32Å; S530-I534 PolarHBondContact O-N 2.69Å; L531-I534 PolarHBondContact O-N 2.87Å; D532-I534 PolarHBondContact O-N 2.63Å; D532-I534 VanDerWaalsContact O-N 3.14Å; I534-P537 WeakPolarHBondContact O-CD 3.14Å
535	L	63.5	Low	72.5	Confident	46 Å²	46	65.9 Å²	65.9	24%	0.241	34%	0.341	C	S	.	.	H	α-helix	trans	-85	-30.3	-178.2	-64.2	174.2	0	0	0	112.2	Y274 L293 L531 P537	Y274-L535 HydrophobicContact CE1-CD1 4.16Å; L293-L535 HydrophobicContact CD2-CD1 3.62Å; L293-L535 HydrophobicContact CD2-CD2 3.51Å; L293-L535 HydrophobicContact CD2-CG 4.24Å; L531-L535 HydrophobicContact CB-CD1 4.28Å; L531-L535 HydrophobicContact CD2-CD1 4.36Å; L531-L535 WeakPolarHBondContact O-CB 3.45Å; L531-L535 WeakPolarHBondContact O-CG 3.22Å; L531-L535 PolarHBondContact O-N 3.49Å; L535-P537 VanDerWaalsContact O-CD 3.28Å; L535-P537 WeakPolarHBondContact O-CD 3.23Å
536	E	62.3	Low	72.2	Confident	74 Å²	74	67.5 Å²	67.5	35%	0.346	36%	0.36	S	S	.	.	S	Bend	trans	-116	65.9	168.9	-64.6	-170.4	-177.3	0	0	109.1	D532 S538	D532-E536 CarbonylContact O-C 3.52Å; D532-E536 PolarHBondContact O-N 2.75Å; D532-E536 VanDerWaalsContact O-N 3.07Å; E536-S538 VanDerWaalsContact C-N 3.27Å; E536-S538 PolarHBondContact O-N 2.8Å
537	P	55.9	Low	72.5	Confident	43 Å²	43	64.2 Å²	64.2	28%	0.279	34%	0.343	S	S	.	.			trans	-65.2	102.7	168.9	30	-27.6	0	0	0	105	I534 L535 I539	I534-P537 WeakPolarHBondContact O-CD 3.14Å; L535-P537 VanDerWaalsContact O-CD 3.28Å; L535-P537 WeakPolarHBondContact O-CD 3.23Å; P537-I539 HydrophobicContact CB-CG1 4.21Å; P537-I539 HydrophobicContact CG-CG1 4.43Å; P537-I539 PolarHBondContact O-N 3.25Å
538	S	63.2	Low	73	Confident	43 Å²	43	63.6 Å²	63.6	30%	0.301	34%	0.339	S	S	.	.			trans	-67.7	81.7	157.9	-178.9	0	0	0	0	104.9	E536 W540 R541 K542	E536-S538 VanDerWaalsContact C-N 3.27Å; E536-S538 PolarHBondContact O-N 2.8Å; S538-W540 CarbonylContact O-C 3.58Å; S538-W540 PolarHBondContact O-N 2.96Å; S538-W540 VanDerWaalsContact O-N 3.14Å; S538-R541 PolarHBondContact O-N 3.3Å; S538-R541 WeakPolarHBondContact OG-CB 3.34Å; S538-R541 VanDerWaalsContact OG-CG 3.22Å; S538-R541 WeakPolarHBondContact OG-CG 3.31Å; S538-R541 PolarHBondContact OG-N 3.3Å; S538-R541 VanDerWaalsContact OG-N 3.07Å; S538-K542 PolarHBondContact O-N 3.18Å
539	I	68	Low	73.5	Confident	113 Å²	113	66.2 Å²	66.2	58%	0.579	36%	0.356	S	S	*	.	H	α-helix	trans	-49.2	-40.6	176.6	-65.4	172.8	0	0	0	107	P537 K542 L543	P537-I539 HydrophobicContact CB-CG1 4.21Å; P537-I539 HydrophobicContact CG-CG1 4.43Å; P537-I539 PolarHBondContact O-N 3.25Å; I539-K542 PolarHBondContact O-N 3.04Å; I539-L543 WeakPolarHBondContact O-CB 3.46Å; I539-L543 PolarHBondContact O-N 2.85Å
540	W	73.2	Confident	74.1	Confident	74 Å²	74	66.2 Å²	66.2	28%	0.28	35%	0.351	S	S	.	.	H	α-helix	trans	-56.3	-57.9	171.3	-179.7	-123.1	0	0	0	114.4	S538 K542 L543 E544 F559 I610 L626	S538-W540 CarbonylContact O-C 3.58Å; S538-W540 PolarHBondContact O-N 2.96Å; S538-W540 VanDerWaalsContact O-N 3.14Å; W540-K542 VanDerWaalsContact C-N 3.28Å; W540-K542 PolarHBondContact O-N 3.3Å; W540-L543 HydrophobicContact CE3-CD2 3.98Å; W540-L543 HydrophobicContact CZ3-CD2 4.03Å; W540-L543 WeakPolarHBondContact O-CB 3.49Å; W540-L543 PolarHBondContact O-N 2.89Å; W540-E544 WeakPolarHBondContact O-CB 3.24Å; W540-E544 PolarHBondContact O-N 2.9Å; W540-F559 AromaticContact CH2-CE2 3.57Å; W540-F559 HydrophobicContact CH2-CE2 3.57Å; W540-F559 AromaticContact CH2-CZ 3.45Å; W540-F559 HydrophobicContact CH2-CZ 3.45Å; W540-F559 VanDerWaalsContact CH2-CZ 3.45Å; W540-F559 AromaticContact CZ2-CZ 3.98Å; W540-F559 HydrophobicContact CZ2-CZ 3.98Å; W540-F559 HydrophobicContact CZ3-CE2 4.02Å; W540-F559 HydrophobicContact CZ3-CZ 4.06Å; W540-I610 HydrophobicContact CZ3-CG1 4.16Å; W540-L626 HydrophobicContact CD2-CD1 4.09Å; W540-L626 HydrophobicContact CE3-CD1 3.36Å; W540-L626 HydrophobicContact CE3-CG 4.44Å; W540-L626 HydrophobicContact CH2-CB 3.92Å; W540-L626 HydrophobicContact CH2-CD1 3.64Å; W540-L626 HydrophobicContact CH2-CG 4.43Å; W540-L626 HydrophobicContact CZ2-CB 4.05Å; W540-L626 HydrophobicContact CZ2-CD1 4.37Å; W540-L626 HydrophobicContact CZ3-CB 4.26Å; W540-L626 HydrophobicContact CZ3-CD1 3.12Å; W540-L626 HydrophobicContact CZ3-CG 4.28Å
541	R	75.2	Confident	74.7	Confident	176 Å²	176	69.1 Å²	69.1	66%	0.664	37%	0.371	S	S	*	.	H	α-helix	trans	-61.6	-36	179.4	-73.7	177.1	-173.8	156.6	2.7	112.6	S538 S545	S538-R541 PolarHBondContact O-N 3.3Å; S538-R541 WeakPolarHBondContact OG-CB 3.34Å; S538-R541 VanDerWaalsContact OG-CG 3.22Å; S538-R541 WeakPolarHBondContact OG-CG 3.31Å; S538-R541 PolarHBondContact OG-N 3.3Å; S538-R541 VanDerWaalsContact OG-N 3.07Å; R541-S545 VanDerWaalsContact O-CB 3.24Å; R541-S545 WeakPolarHBondContact O-CB 3.43Å; R541-S545 PolarHBondContact O-N 3.24Å; R541-S545 PolarHBondContact O-OG 3.03Å
542	K	76.6	Confident	75	Confident	116 Å²	116	76.4 Å²	76.4	50%	0.504	41%	0.409	S	S	.	.	H	α-helix	trans	-67.4	-43.4	175.9	-73.2	-173.3	-177.8	177.3	0	111.2	S533 S538 I539 W540 G546	S533-K542 PolarHBondContact O-NZ 2.92Å; S538-K542 PolarHBondContact O-N 3.18Å; I539-K542 PolarHBondContact O-N 3.04Å; W540-K542 VanDerWaalsContact C-N 3.28Å; W540-K542 PolarHBondContact O-N 3.3Å; K542-G546 PolarHBondContact O-N 3.47Å
543	L	81.1	Confident	75.9	Confident	47 Å²	47	75 Å²	75	25%	0.246	41%	0.405	C	S	.	.	H	α-helix	trans	-63.6	-48.7	176.1	-173.2	83.3	0	0	0	110.6	I539 W540 S545 G546 I547 V608 I610	I539-L543 WeakPolarHBondContact O-CB 3.46Å; I539-L543 PolarHBondContact O-N 2.85Å; W540-L543 HydrophobicContact CE3-CD2 3.98Å; W540-L543 HydrophobicContact CZ3-CD2 4.03Å; W540-L543 WeakPolarHBondContact O-CB 3.49Å; W540-L543 PolarHBondContact O-N 2.89Å; L543-S545 PolarHBondContact O-N 3.2Å; L543-G546 PolarHBondContact O-N 3.37Å; L543-I547 HydrophobicContact CD2-CD1 4.22Å; L543-I547 HydrophobicContact CG-CD1 3.84Å; L543-I547 HydrophobicContact CG-CG1 4.48Å; L543-I547 WeakPolarHBondContact O-CB 3.46Å; L543-I547 VanDerWaalsContact O-CG1 3.24Å; L543-I547 WeakPolarHBondContact O-CG1 3.3Å; L543-I547 PolarHBondContact O-N 3.07Å; L543-V608 HydrophobicContact CD1-CG1 3.77Å; L543-V608 HydrophobicContact CD2-CG1 3.52Å; L543-V608 HydrophobicContact CG-CG1 4.31Å; L543-I610 HydrophobicContact CD2-CD1 3.87Å; L543-I610 HydrophobicContact CD2-CG1 4.05Å
544	E	84.8	Confident	77.2	Confident	32 Å²	32	73.8 Å²	73.8	15%	0.15	39%	0.394	C	S	.	.	H	α-helix	trans	-56.8	-50.3	175.6	179.3	-178.6	178.9	0	0	111	W540 G546 I547 L548 F559 R563	W540-E544 WeakPolarHBondContact O-CB 3.24Å; W540-E544 PolarHBondContact O-N 2.9Å; E544-G546 VanDerWaalsContact C-N 3.34Å; E544-G546 PolarHBondContact O-N 2.63Å; E544-I547 PolarHBondContact O-N 3.14Å; E544-L548 HydrophobicContact CG-CD1 3.98Å; E544-L548 WeakPolarHBondContact O-CB 3.42Å; E544-L548 VanDerWaalsContact O-CG 3.26Å; E544-L548 WeakPolarHBondContact O-CG 3.24Å; E544-L548 PolarHBondContact O-N 3.37Å; E544-F559 HydrophobicContact CB-CZ 4.46Å; E544-F559 HydrophobicContact CG-CE1 3.93Å; E544-F559 HydrophobicContact CG-CZ 4.22Å; E544-R563 IonicContact OE1-CZ 3.62Å; E544-R563 IonicContact OE1-NH1 3.35Å; E544-R563 PolarHBondContact OE1-NH1 3.04Å; E544-R563 IonicContact OE1-NH2 2.86Å; E544-R563 PolarHBondContact OE1-NH2 2.95Å
545	S	84.5	Confident	78.5	Confident	78 Å²	78	72.9 Å²	72.9	55%	0.545	39%	0.394	S	S	.	.	H	α-helix	trans	-62.6	-41.6	177.9	-56.9	0	0	0	0	111.5	R541 L543 L548 E549	R541-S545 VanDerWaalsContact O-CB 3.24Å; R541-S545 WeakPolarHBondContact O-CB 3.43Å; R541-S545 PolarHBondContact O-N 3.24Å; R541-S545 PolarHBondContact O-OG 3.03Å; L543-S545 PolarHBondContact O-N 3.2Å; S545-L548 CarbonylContact O-C 3.59Å; S545-L548 PolarHBondContact O-N 3.04Å; S545-E549 WeakPolarHBondContact O-CB 3.22Å; S545-E549 PolarHBondContact O-N 3.36Å
546	G	84.9	Confident	79.8	Confident	41 Å²	41	71 Å²	71	42%	0.423	38%	0.384	S	S	.	.	H	α-helix	trans	-69.3	-37.2	178.7	0	0	0	0	0	113.6	K542 L543 E544 L548	K542-G546 PolarHBondContact O-N 3.47Å; L543-G546 PolarHBondContact O-N 3.37Å; E544-G546 VanDerWaalsContact C-N 3.34Å; E544-G546 PolarHBondContact O-N 2.63Å; G546-L548 VanDerWaalsContact C-N 3.31Å
547	I	88	Confident	81.2	Confident	21 Å²	21	68.2 Å²	68.2	11%	0.108	37%	0.372	C	S	.	.	H	α-helix	trans	-64.7	-40.1	173.6	-71	167.5	0	0	0	110.1	L543 E544 A555 S556 F559 F605 I610	L543-I547 HydrophobicContact CD2-CD1 4.22Å; L543-I547 HydrophobicContact CG-CD1 3.84Å; L543-I547 HydrophobicContact CG-CG1 4.48Å; L543-I547 WeakPolarHBondContact O-CB 3.46Å; L543-I547 VanDerWaalsContact O-CG1 3.24Å; L543-I547 WeakPolarHBondContact O-CG1 3.3Å; L543-I547 PolarHBondContact O-N 3.07Å; E544-I547 PolarHBondContact O-N 3.14Å; I547-A555 HydrophobicContact CG2-CB 4.33Å; I547-S556 VanDerWaalsContact O-CB 3.31Å; I547-S556 WeakPolarHBondContact O-CB 3.33Å; I547-F559 HydrophobicContact CD1-CD2 4.09Å; I547-F559 HydrophobicContact CD1-CE2 4.24Å; I547-F559 HydrophobicContact CG2-CB 3.53Å; I547-F559 HydrophobicContact CG2-CD1 4.02Å; I547-F559 HydrophobicContact CG2-CD2 4.31Å; I547-F559 HydrophobicContact CG2-CG 3.71Å; I547-F605 HydrophobicContact CD1-CE1 4.09Å; I547-F605 HydrophobicContact CD1-CZ 4.46Å; I547-I610 HydrophobicContact CD1-CD1 3.78Å
548	L	87.4	Confident	83	Confident	56 Å²	56	66.2 Å²	66.2	29%	0.293	36%	0.359	S	S	.	.	H	α-helix	trans	-85.6	-8.7	-177.2	-65.6	174.1	0	0	0	114.2	E544 S545 G546 C550 F559	E544-L548 HydrophobicContact CG-CD1 3.98Å; E544-L548 WeakPolarHBondContact O-CB 3.42Å; E544-L548 VanDerWaalsContact O-CG 3.26Å; E544-L548 WeakPolarHBondContact O-CG 3.24Å; E544-L548 PolarHBondContact O-N 3.37Å; S545-L548 CarbonylContact O-C 3.59Å; S545-L548 PolarHBondContact O-N 3.04Å; G546-L548 VanDerWaalsContact C-N 3.31Å; L548-C550 PolarHBondContact O-N 3.43Å; L548-F559 HydrophobicContact CD1-CE1 4.4Å; L548-F559 HydrophobicContact CD2-CD1 4.03Å; L548-F559 HydrophobicContact CG-CD1 4.21Å; L548-F559 HydrophobicContact CG-CE1 4.48Å
549	E	84.9	Confident	84.3	Confident	170 Å²	170	64.1 Å²	64.1	79%	0.794	35%	0.345	S	S	*	.	S	Bend	trans	-60	-36.1	-177.7	-170.6	174.6	-171.4	0	0	112	S545	S545-E549 WeakPolarHBondContact O-CB 3.22Å; S545-E549 PolarHBondContact O-N 3.36Å
550	C	82.4	Confident	85.3	Confident	73 Å²	73	60.6 Å²	60.6	49%	0.493	33%	0.33	S	S	.	.	S	Bend	trans	-113.5	91.7	174.4	-171.8	0	0	0	0	110.2	L548 L552 S553 S556	L548-C550 PolarHBondContact O-N 3.43Å; C550-L552 PolarHBondContact O-N 3.1Å; C550-S553 WeakPolarHBondContact O-CB 3.48Å; C550-S553 PolarHBondContact O-N 2.92Å; C550-S553 PolarHBondContact O-OG 3.36Å; C550-S556 WeakPolarHBondContact O-CB 3.28Å
551	S	79.6	Confident	86.1	Confident	85 Å²	85	57.4 Å²	57.4	59%	0.594	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-25.5	-175.5	60	0	0	0	0	114.4	S556	S551-S556 WeakPolarHBondContact CA-OG 3.43Å; S551-S556 PolarHBondContact O-OG 3.04Å
552	L	79.9	Confident	86.8	Confident	153 Å²	153	49.3 Å²	49.3	80%	0.801	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-5.2	-179.7	-62.3	175.5	0	0	0	114.1	C550	C550-L552 PolarHBondContact O-N 3.1Å
553	S	89.1	Confident	87.3	Confident	37 Å²	37	49.9 Å²	49.9	26%	0.259	29%	0.287	S	S	.	.	S	Bend	trans	-71.7	149.1	177	69.8	0	0	0	0	111.3	C550 A555 S556 V557	C550-S553 WeakPolarHBondContact O-CB 3.48Å; C550-S553 PolarHBondContact O-N 2.92Å; C550-S553 PolarHBondContact O-OG 3.36Å; S553-A555 PolarHBondContact O-N 3.29Å; S553-S556 PolarHBondContact O-N 3.5Å; S553-S556 VanDerWaalsContact O-N 3.16Å; S553-S556 VanDerWaalsContact OG-CB 3.29Å; S553-S556 WeakPolarHBondContact OG-CB 3.42Å; S553-S556 PolarHBondContact OG-N 2.77Å; S553-S556 VanDerWaalsContact OG-N 3.09Å; S553-V557 WeakPolarHBondContact O-CG2 3.06Å; S553-V557 PolarHBondContact O-N 3.29Å; S553-V557 VanDerWaalsContact O-N 3.1Å
554	D	91	Very high	87.5	Confident	25 Å²	25	53.5 Å²	53.5	13%	0.134	31%	0.306	C	S	.	.	H	α-helix	trans	-57.3	-39.2	175.6	-64.1	-36.2	0	0	0	111.1	V557 I558 F579 M583 R597 V601	D554-V557 PolarHBondContact O-N 3.4Å; D554-I558 HydrophobicContact CB-CD1 4.39Å; D554-I558 VanDerWaalsContact O-CB 3.26Å; D554-I558 WeakPolarHBondContact O-CB 3.47Å; D554-I558 WeakPolarHBondContact O-CD1 3.42Å; D554-I558 WeakPolarHBondContact O-CG1 3.47Å; D554-I558 PolarHBondContact O-N 2.88Å; D554-F579 HydrophobicContact CB-CE2 4.25Å; D554-F579 HydrophobicContact CB-CZ 4.16Å; D554-M583 WeakPolarHBondContact OD1-CE 3.27Å; D554-R597 IonicContact OD1-CZ 2.91Å; D554-R597 VanDerWaalsContact OD1-CZ 3.27Å; D554-R597 IonicContact OD1-NE 3.34Å; D554-R597 IonicContact OD1-NH2 2.65Å; D554-R597 PolarHBondContact OD1-NH2 3.27Å; D554-R597 IonicContact OD2-CZ 3.38Å; D554-R597 IonicContact OD2-NE 3.85Å; D554-R597 PolarHBondContact OD2-NE 3.09Å; D554-R597 IonicContact OD2-NH2 2.62Å; D554-R597 PolarHBondContact OD2-NH2 3.16Å; D554-V601 HydrophobicContact CB-CG2 3.84Å
555	A	92.6	Very high	87.5	Confident	28 Å²	28	53.9 Å²	53.9	23%	0.231	31%	0.308	C	S	.	.	H	α-helix	trans	-59.2	-48.3	176.5	0	0	0	0	0	111.9	I547 S553 V557 I558 F559 V601 F605	I547-A555 HydrophobicContact CG2-CB 4.33Å; S553-A555 PolarHBondContact O-N 3.29Å; A555-V557 PolarHBondContact O-N 2.83Å; A555-I558 PolarHBondContact O-N 3.36Å; A555-F559 WeakPolarHBondContact O-CB 3.19Å; A555-F559 PolarHBondContact O-N 2.96Å; A555-V601 HydrophobicContact CB-CG1 4.31Å; A555-F605 HydrophobicContact CB-CE1 4.4Å; A555-F605 HydrophobicContact CB-CZ 4.5Å
556	S	92.3	Very high	87.3	Confident	5 Å²	5	57 Å²	57	4%	0.035	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-45	178.2	179.1	0	0	0	0	112.4	I547 C550 S551 S553 F559 S560	I547-S556 VanDerWaalsContact O-CB 3.31Å; I547-S556 WeakPolarHBondContact O-CB 3.33Å; C550-S556 WeakPolarHBondContact O-CB 3.28Å; S551-S556 WeakPolarHBondContact CA-OG 3.43Å; S551-S556 PolarHBondContact O-OG 3.04Å; S553-S556 PolarHBondContact O-N 3.5Å; S553-S556 VanDerWaalsContact O-N 3.16Å; S553-S556 VanDerWaalsContact OG-CB 3.29Å; S553-S556 WeakPolarHBondContact OG-CB 3.42Å; S553-S556 PolarHBondContact OG-N 2.77Å; S553-S556 VanDerWaalsContact OG-N 3.09Å; S556-F559 PolarHBondContact O-N 3.04Å; S556-S560 VanDerWaalsContact O-CB 3.3Å; S556-S560 WeakPolarHBondContact O-CB 3.24Å; S556-S560 PolarHBondContact O-N 2.84Å; S556-S560 PolarHBondContact O-OG 3.17Å
557	V	90.7	Very high	87.1	Confident	17 Å²	17	59.5 Å²	59.5	10%	0.103	33%	0.33	C	S	.	.	H	α-helix	trans	-64.1	-49.8	-179.9	175.6	0	0	0	0	110.5	S553 D554 A555 F559 S560 L561 F579 Q582	S553-V557 WeakPolarHBondContact O-CG2 3.06Å; S553-V557 PolarHBondContact O-N 3.29Å; S553-V557 VanDerWaalsContact O-N 3.1Å; D554-V557 PolarHBondContact O-N 3.4Å; A555-V557 PolarHBondContact O-N 2.83Å; V557-F559 VanDerWaalsContact C-N 3.33Å; V557-F559 PolarHBondContact O-N 3.19Å; V557-S560 PolarHBondContact O-N 2.67Å; V557-L561 HydrophobicContact CG1-CD1 4.44Å; V557-L561 WeakPolarHBondContact O-CG 3.19Å; V557-L561 PolarHBondContact O-N 3.08Å; V557-F579 HydrophobicContact CB-CD2 4.39Å; V557-F579 HydrophobicContact CB-CE2 4.36Å; V557-F579 HydrophobicContact CG1-CD2 3.83Å; V557-F579 HydrophobicContact CG1-CE2 4.2Å; V557-Q582 HydrophobicContact CG1-CB 4.02Å; V557-Q582 HydrophobicContact CG1-CG 4.5Å
558	I	92.9	Very high	86.9	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.4	-42.2	180	-69.2	168.9	0	0	0	110.3	D554 A555 L561 Y562 W575 F579 F598 V601 L602 F605	D554-I558 HydrophobicContact CB-CD1 4.39Å; D554-I558 VanDerWaalsContact O-CB 3.26Å; D554-I558 WeakPolarHBondContact O-CB 3.47Å; D554-I558 WeakPolarHBondContact O-CD1 3.42Å; D554-I558 WeakPolarHBondContact O-CG1 3.47Å; D554-I558 PolarHBondContact O-N 2.88Å; A555-I558 PolarHBondContact O-N 3.36Å; I558-L561 PolarHBondContact O-N 3.08Å; I558-Y562 PolarHBondContact O-N 3.31Å; I558-W575 HydrophobicContact CG2-CH2 4.04Å; I558-W575 HydrophobicContact CG2-CZ2 3.26Å; I558-W575 WeakPolarHBondContact O-CZ2 3.11Å; I558-W575 PolarHBondContact O-NE1 3.05Å; I558-F579 HydrophobicContact CD1-CD2 3.95Å; I558-F579 HydrophobicContact CD1-CE1 4.5Å; I558-F579 HydrophobicContact CD1-CE2 3.83Å; I558-F579 HydrophobicContact CD1-CG 4.34Å; I558-F579 HydrophobicContact CD1-CZ 4.11Å; I558-F579 HydrophobicContact CG1-CD2 3.4Å; I558-F579 VanDerWaalsContact CG1-CD2 3.4Å; I558-F579 HydrophobicContact CG1-CE2 3.68Å; I558-F579 HydrophobicContact CG1-CG 3.97Å; I558-F579 HydrophobicContact CG1-CZ 4.43Å; I558-F598 HydrophobicContact CD1-CD2 3.57Å; I558-F598 HydrophobicContact CD1-CE2 4.21Å; I558-F598 HydrophobicContact CD1-CG 4.4Å; I558-F598 HydrophobicContact CG1-CD2 3.94Å; I558-F598 HydrophobicContact CG1-CE2 4.2Å; I558-F598 HydrophobicContact CG2-CE2 4.41Å; I558-V601 HydrophobicContact CB-CG1 4.06Å; I558-V601 HydrophobicContact CD1-CB 3.62Å; I558-V601 HydrophobicContact CD1-CG1 3.71Å; I558-V601 HydrophobicContact CD1-CG2 3.91Å; I558-V601 HydrophobicContact CG1-CG1 4.48Å; I558-V601 HydrophobicContact CG2-CG1 3.94Å; I558-L602 HydrophobicContact CG2-CD2 4.25Å; I558-F605 HydrophobicContact CG2-CD2 4.42Å; I558-F605 HydrophobicContact CG2-CE2 3.85Å
559	F	92.1	Very high	86.8	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-66.3	-38.4	176.3	-168.5	-102.9	0	0	0	113	W540 E544 I547 L548 A555 S556 V557 L561 Y562 R563 F605 I610	W540-F559 AromaticContact CH2-CE2 3.57Å; W540-F559 HydrophobicContact CH2-CE2 3.57Å; W540-F559 AromaticContact CH2-CZ 3.45Å; W540-F559 HydrophobicContact CH2-CZ 3.45Å; W540-F559 VanDerWaalsContact CH2-CZ 3.45Å; W540-F559 AromaticContact CZ2-CZ 3.98Å; W540-F559 HydrophobicContact CZ2-CZ 3.98Å; W540-F559 HydrophobicContact CZ3-CE2 4.02Å; W540-F559 HydrophobicContact CZ3-CZ 4.06Å; E544-F559 HydrophobicContact CB-CZ 4.46Å; E544-F559 HydrophobicContact CG-CE1 3.93Å; E544-F559 HydrophobicContact CG-CZ 4.22Å; I547-F559 HydrophobicContact CD1-CD2 4.09Å; I547-F559 HydrophobicContact CD1-CE2 4.24Å; I547-F559 HydrophobicContact CG2-CB 3.53Å; I547-F559 HydrophobicContact CG2-CD1 4.02Å; I547-F559 HydrophobicContact CG2-CD2 4.31Å; I547-F559 HydrophobicContact CG2-CG 3.71Å; L548-F559 HydrophobicContact CD1-CE1 4.4Å; L548-F559 HydrophobicContact CD2-CD1 4.03Å; L548-F559 HydrophobicContact CG-CD1 4.21Å; L548-F559 HydrophobicContact CG-CE1 4.48Å; A555-F559 WeakPolarHBondContact O-CB 3.19Å; A555-F559 PolarHBondContact O-N 2.96Å; S556-F559 PolarHBondContact O-N 3.04Å; V557-F559 VanDerWaalsContact C-N 3.33Å; V557-F559 PolarHBondContact O-N 3.19Å; F559-L561 VanDerWaalsContact C-N 3.35Å; F559-Y562 HydrophobicContact CD2-CD1 4.23Å; F559-Y562 HydrophobicContact CE2-CD1 4.14Å; F559-Y562 HydrophobicContact CE2-CE1 4.36Å; F559-Y562 VanDerWaalsContact O-CB 3.31Å; F559-Y562 WeakPolarHBondContact O-CB 3.46Å; F559-Y562 PolarHBondContact O-N 3.04Å; F559-R563 HydrophobicContact CD1-CG 4.29Å; F559-R563 HydrophobicContact CE1-CG 4.03Å; F559-R563 HydrophobicContact CZ-CG 4.5Å; F559-R563 WeakPolarHBondContact O-CG 3.38Å; F559-R563 PolarHBondContact O-N 3.14Å; F559-F605 HydrophobicContact CB-CE2 4.06Å; F559-F605 HydrophobicContact CB-CZ 3.83Å; F559-F605 HydrophobicContact CD2-CE2 4.02Å; F559-F605 HydrophobicContact CD2-CZ 4.03Å; F559-F605 HydrophobicContact CG-CZ 4.4Å; F559-I610 HydrophobicContact CD2-CD1 4.42Å; F559-I610 HydrophobicContact CE2-CD1 4.25Å; F559-I610 HydrophobicContact CE2-CG2 4.25Å
560	S	89.3	Confident	86.9	Confident	39 Å²	39	55.3 Å²	55.3	27%	0.273	32%	0.318	S	S	.	.	H	α-helix	trans	-63.9	-42.2	175.7	-61.5	0	0	0	0	111.2	S556 V557 R563 N564	S556-S560 VanDerWaalsContact O-CB 3.3Å; S556-S560 WeakPolarHBondContact O-CB 3.24Å; S556-S560 PolarHBondContact O-N 2.84Å; S556-S560 PolarHBondContact O-OG 3.17Å; V557-S560 PolarHBondContact O-N 2.67Å; S560-R563 PolarHBondContact O-N 3.25Å; S560-N564 VanDerWaalsContact O-CG 3.23Å; S560-N564 PolarHBondContact O-N 3.23Å; S560-N564 VanDerWaalsContact O-N 3.14Å; S560-N564 PolarHBondContact O-ND2 3.01Å
561	L	89	Confident	87.2	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-61	-46.7	171.2	-68	173.6	0	0	0	111.2	V557 I558 F559 R563 N564 H565 E578 F579	V557-L561 HydrophobicContact CG1-CD1 4.44Å; V557-L561 WeakPolarHBondContact O-CG 3.19Å; V557-L561 PolarHBondContact O-N 3.08Å; I558-L561 PolarHBondContact O-N 3.08Å; F559-L561 VanDerWaalsContact C-N 3.35Å; L561-R563 VanDerWaalsContact C-N 3.26Å; L561-R563 PolarHBondContact O-N 3.39Å; L561-N564 PolarHBondContact O-N 2.89Å; L561-H565 PolarHBondContact O-CD2 3.21Å; L561-H565 PolarHBondContact O-N 3.39Å; L561-H565 VanDerWaalsContact O-N 3.17Å; L561-E578 HydrophobicContact CD1-CB 3.93Å; L561-E578 HydrophobicContact CD2-CB 4.08Å; L561-F579 HydrophobicContact CD1-CB 4.04Å
562	Y	89.3	Confident	87.8	Confident	7 Å²	7	48.7 Å²	48.7	3%	0.027	27%	0.274	C	S	.	.	H	α-helix	trans	-51.5	-43.6	174.4	165.1	-88.5	0	0	0	112.2	I558 F559 W575 I610 I611 K624 L626	I558-Y562 PolarHBondContact O-N 3.31Å; F559-Y562 HydrophobicContact CD2-CD1 4.23Å; F559-Y562 HydrophobicContact CE2-CD1 4.14Å; F559-Y562 HydrophobicContact CE2-CE1 4.36Å; F559-Y562 VanDerWaalsContact O-CB 3.31Å; F559-Y562 WeakPolarHBondContact O-CB 3.46Å; F559-Y562 PolarHBondContact O-N 3.04Å; Y562-W575 HydrophobicContact CD2-CH2 4.19Å; Y562-I610 HydrophobicContact CD2-CG2 4.44Å; Y562-I610 HydrophobicContact CE1-CG2 4.18Å; Y562-I610 HydrophobicContact CE2-CG2 3.97Å; Y562-I611 HydrophobicContact CD2-CG2 4.12Å; Y562-I611 HydrophobicContact CE2-CG2 3.9Å; Y562-K624 HydrophobicContact CD2-CD 4.38Å; Y562-K624 HydrophobicContact CD2-CG 4.26Å; Y562-K624 HydrophobicContact CE1-CD 4.43Å; Y562-K624 HydrophobicContact CE2-CB 3.99Å; Y562-K624 HydrophobicContact CE2-CD 3.76Å; Y562-K624 HydrophobicContact CE2-CG 3.49Å; Y562-K624 VanDerWaalsContact CE2-CG 3.49Å; Y562-K624 VanDerWaalsContact O-CE 3.22Å; Y562-K624 WeakPolarHBondContact O-CE 3.31Å; Y562-K624 PolarHBondContact O-NZ 3.39Å; Y562-K624 WeakPolarHBondContact OH-CB 3.48Å; Y562-L626 PolarHBondContact OH-O 3.24Å; Y562-L626 VanDerWaalsContact OH-O 3.13Å
563	R	87	Confident	88.3	Confident	128 Å²	128	45.2 Å²	45.2	48%	0.483	26%	0.262	S	S	.	.	H	α-helix	trans	-67.5	-37.2	178.1	-69.4	-175.3	81.1	153.9	20.7	113.1	E544 F559 S560 L561 H565	E544-R563 IonicContact OE1-CZ 3.62Å; E544-R563 IonicContact OE1-NH1 3.35Å; E544-R563 PolarHBondContact OE1-NH1 3.04Å; E544-R563 IonicContact OE1-NH2 2.86Å; E544-R563 PolarHBondContact OE1-NH2 2.95Å; F559-R563 HydrophobicContact CD1-CG 4.29Å; F559-R563 HydrophobicContact CE1-CG 4.03Å; F559-R563 HydrophobicContact CZ-CG 4.5Å; F559-R563 WeakPolarHBondContact O-CG 3.38Å; F559-R563 PolarHBondContact O-N 3.14Å; S560-R563 PolarHBondContact O-N 3.25Å; L561-R563 VanDerWaalsContact C-N 3.26Å; L561-R563 PolarHBondContact O-N 3.39Å; R563-H565 VanDerWaalsContact C-N 3.34Å
564	N	85.9	Confident	88.3	Confident	122 Å²	122	46.6 Å²	46.6	65%	0.652	27%	0.272	S	S	*	.	H	α-helix	trans	-75.3	-21.9	-175.6	-68.4	-18	0	0	0	113.5	S560 L561 V566	S560-N564 VanDerWaalsContact O-CG 3.23Å; S560-N564 PolarHBondContact O-N 3.23Å; S560-N564 VanDerWaalsContact O-N 3.14Å; S560-N564 PolarHBondContact O-ND2 3.01Å; L561-N564 PolarHBondContact O-N 2.89Å; N564-V566 PolarHBondContact O-N 3.25Å
565	H	84.3	Confident	88.4	Confident	40 Å²	40	45.5 Å²	45.5	19%	0.185	27%	0.265	C	S	.	.			trans	-68.9	123.8	173.8	-75.3	-72.3	0	0	0	111.1	L561 R563 V567 L570 E578 K624	L561-H565 PolarHBondContact O-CD2 3.21Å; L561-H565 PolarHBondContact O-N 3.39Å; L561-H565 VanDerWaalsContact O-N 3.17Å; R563-H565 VanDerWaalsContact C-N 3.34Å; H565-V567 VanDerWaalsContact C-N 3.32Å; H565-L570 HydrophobicContact CB-CD2 3.86Å; H565-L570 HydrophobicContact CB-CG 4.11Å; H565-L570 WeakPolarHBondContact CD2-CD2 3.38Å; H565-E578 IonicContact CE1-OE1 3.08Å; H565-E578 PolarHBondContact CE1-OE1 3.01Å; H565-E578 IonicContact CE1-OE2 3.83Å; H565-E578 IonicContact NE2-OE1 3.27Å; H565-E578 IonicContact NE2-OE2 2.88Å; H565-K624 PolarHBondContact O-NZ 3.36Å
566	V	79.9	Confident	88.4	Confident	143 Å²	143	45.5 Å²	45.5	87%	0.867	26%	0.261	S	S	*	.			trans	-74.2	-25.5	178	-178.4	0	0	0	0	112.2	N564	N564-V566 PolarHBondContact O-N 3.25Å
567	V	82.2	Confident	88.2	Confident	95 Å²	95	48.7 Å²	48.7	58%	0.576	28%	0.283	S	S	*	.	S	Bend	trans	-87.1	138.3	-173.5	-166.1	0	0	0	0	110.9	H565 S569 K624	H565-V567 VanDerWaalsContact C-N 3.32Å; V567-S569 PolarHBondContact O-N 2.85Å; V567-S569 VanDerWaalsContact O-N 3.15Å; V567-K624 WeakPolarHBondContact O-CE 3.49Å
568	D	82.2	Confident	88.2	Confident	108 Å²	108	51.1 Å²	51.1	58%	0.578	29%	0.293	S	S	*	.	S	Bend	trans	-64.7	-14.4	176.3	-67.3	-21	0	0	0	113.8	K623 K624	D568-K623 CarbonylContact O-C 3.52Å; D568-K623 VanDerWaalsContact O-CA 3.3Å; D568-K623 WeakPolarHBondContact O-CA 3.35Å; D568-K624 PolarHBondContact O-N 2.91Å
569	S	86	Confident	88.2	Confident	45 Å²	45	51.1 Å²	51.1	32%	0.315	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	112.3	-174.4	-64.3	0	0	0	0	110	V567 Y614	V567-S569 PolarHBondContact O-N 2.85Å; V567-S569 VanDerWaalsContact O-N 3.15Å; S569-Y614 WeakPolarHBondContact CB-OH 3.48Å; S569-Y614 PolarHBondContact OG-OH 3.04Å
570	L	87.1	Confident	88	Confident	6 Å²	6	56 Å²	56	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	125	-177.7	-65.6	83.5	0	0	0	110.1	H565 V572 W575 Y621 C622 K624	H565-L570 HydrophobicContact CB-CD2 3.86Å; H565-L570 HydrophobicContact CB-CG 4.11Å; H565-L570 WeakPolarHBondContact CD2-CD2 3.38Å; L570-V572 PolarHBondContact O-N 2.84Å; L570-W575 HydrophobicContact CB-CE3 4.36Å; L570-W575 HydrophobicContact CD2-CD2 4.03Å; L570-W575 HydrophobicContact CD2-CE3 4.07Å; L570-W575 HydrophobicContact CD2-CG 4.4Å; L570-W575 HydrophobicContact CD2-CZ3 4.43Å; L570-Y621 CarbonylContact O-C 3.6Å; L570-Y621 VanDerWaalsContact O-CA 3.23Å; L570-Y621 WeakPolarHBondContact O-CA 3.42Å; L570-C622 PolarHBondContact N-O 2.94Å; L570-C622 PolarHBondContact O-N 3.15Å; L570-K624 HydrophobicContact CD1-CD 4.29Å; L570-K624 HydrophobicContact CD1-CG 3.69Å
571	G	89.4	Confident	87.8	Confident	15 Å²	15	59.7 Å²	59.7	16%	0.155	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	122	169.1	0	0	0	0	0	110.2	S573 C574 W575	G571-S573 PolarHBondContact O-N 3.32Å; G571-C574 PolarHBondContact O-N 3.49Å; G571-C574 VanDerWaalsContact O-N 3.08Å; G571-W575 PolarHBondContact O-N 3.43Å; G571-W575 VanDerWaalsContact O-N 3.08Å
572	V	92.2	Very high	87.5	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.024	35%	0.349	C	S	.	.	H	α-helix	trans	-59.9	-34.4	-174.3	175	0	0	0	0	112.1	L570 F576 F598 Y599 L602 L620 C622	L570-V572 PolarHBondContact O-N 2.84Å; V572-F576 WeakPolarHBondContact O-CB 3.36Å; V572-F576 PolarHBondContact O-N 3.44Å; V572-F598 HydrophobicContact CG1-CE1 3.89Å; V572-Y599 HydrophobicContact CG1-CE1 3.93Å; V572-L602 HydrophobicContact CG1-CD1 3.98Å; V572-L620 HydrophobicContact CB-CB 4.37Å; V572-L620 HydrophobicContact CB-CD2 4.3Å; V572-L620 HydrophobicContact CB-CG 4.35Å; V572-L620 HydrophobicContact CG1-CD2 4.31Å; V572-L620 HydrophobicContact CG2-CB 4.19Å; V572-L620 HydrophobicContact CG2-CD2 3.87Å; V572-L620 HydrophobicContact CG2-CG 3.72Å; V572-L620 WeakPolarHBondContact CG2-O 3.27Å; V572-L620 PolarHBondContact N-O 3.43Å; V572-C622 VanDerWaalsContact CG2-SG 3.54Å
573	S	90	Very high	87.1	Confident	79 Å²	79	65.2 Å²	65.2	55%	0.552	35%	0.353	S	S	*	.	H	α-helix	trans	-65.6	-39.3	176.6	52.9	0	0	0	0	113.4	G571 S577	G571-S573 PolarHBondContact O-N 3.32Å; S573-S577 PolarHBondContact O-N 3.48Å; S573-S577 VanDerWaalsContact O-N 3.16Å; S573-S577 PolarHBondContact O-OG 3.02Å
574	C	89.2	Confident	86	Confident	67 Å²	67	65.1 Å²	65.1	45%	0.453	36%	0.356	S	S	.	.	H	α-helix	trans	-69.3	-46.6	177.5	-168.2	0	0	0	0	110.4	G571 F576 S577 E578	G571-C574 PolarHBondContact O-N 3.49Å; G571-C574 VanDerWaalsContact O-N 3.08Å; C574-F576 VanDerWaalsContact C-N 3.34Å; C574-F576 PolarHBondContact O-N 3.37Å; C574-S577 WeakPolarHBondContact O-CB 3.48Å; C574-S577 PolarHBondContact O-N 3.19Å; C574-E578 PolarHBondContact O-N 3.41Å; C574-E578 VanDerWaalsContact O-N 3.1Å
575	W	92	Very high	84.5	Confident	1 Å²	1	64.7 Å²	64.7	0%	0.004	36%	0.363	C	S	.	.	H	α-helix	trans	-61.8	-41	179	-169	11.5	0	0	0	112.1	I558 Y562 L570 G571 S577 E578 F579 F598 L602 F605 I611 C622	I558-W575 HydrophobicContact CG2-CH2 4.04Å; I558-W575 HydrophobicContact CG2-CZ2 3.26Å; I558-W575 WeakPolarHBondContact O-CZ2 3.11Å; I558-W575 PolarHBondContact O-NE1 3.05Å; Y562-W575 HydrophobicContact CD2-CH2 4.19Å; L570-W575 HydrophobicContact CB-CE3 4.36Å; L570-W575 HydrophobicContact CD2-CD2 4.03Å; L570-W575 HydrophobicContact CD2-CE3 4.07Å; L570-W575 HydrophobicContact CD2-CG 4.4Å; L570-W575 HydrophobicContact CD2-CZ3 4.43Å; G571-W575 PolarHBondContact O-N 3.43Å; G571-W575 VanDerWaalsContact O-N 3.08Å; W575-S577 VanDerWaalsContact C-N 3.31Å; W575-S577 PolarHBondContact O-N 2.93Å; W575-E578 PolarHBondContact O-N 2.9Å; W575-F579 WeakPolarHBondContact O-CB 3.47Å; W575-F579 PolarHBondContact O-N 3.01Å; W575-F598 HydrophobicContact CB-CZ 4.06Å; W575-F598 HydrophobicContact CD2-CE2 4.25Å; W575-F598 HydrophobicContact CD2-CZ 4.04Å; W575-F598 HydrophobicContact CE3-CZ 4.32Å; W575-F598 HydrophobicContact CG-CE2 4.08Å; W575-F598 AromaticContact CG-CZ 3.91Å; W575-F598 HydrophobicContact CG-CZ 3.91Å; W575-L602 HydrophobicContact CD2-CD2 4.47Å; W575-L602 HydrophobicContact CE3-CD2 3.84Å; W575-L602 HydrophobicContact CH2-CD2 3.49Å; W575-L602 VanDerWaalsContact CH2-CD2 3.49Å; W575-L602 HydrophobicContact CZ2-CD2 4.14Å; W575-L602 HydrophobicContact CZ3-CD2 3.31Å; W575-F605 HydrophobicContact CH2-CD2 4.41Å; W575-I611 HydrophobicContact CH2-CG2 4.23Å; W575-I611 HydrophobicContact CZ3-CD1 4.4Å; W575-I611 HydrophobicContact CZ3-CG2 4.38Å; W575-C622 HydrophobicContact CZ3-CB 4.27Å
576	F	93.1	Very high	83.1	Confident	29 Å²	29	64.3 Å²	64.3	13%	0.127	37%	0.365	C	S	.	.	H	α-helix	trans	-61.9	-38.4	173.1	177	-113.3	0	0	0	112.5	V572 C574 F579 K580 V594 L595 F598	V572-F576 WeakPolarHBondContact O-CB 3.36Å; V572-F576 PolarHBondContact O-N 3.44Å; C574-F576 VanDerWaalsContact C-N 3.34Å; C574-F576 PolarHBondContact O-N 3.37Å; F576-F579 HydrophobicContact CD2-CD1 4.31Å; F576-F579 HydrophobicContact CE2-CD1 4.43Å; F576-F579 PolarHBondContact O-N 2.88Å; F576-K580 HydrophobicContact CE1-CD 4.36Å; F576-K580 HydrophobicContact CZ-CD 4.48Å; F576-K580 VanDerWaalsContact O-CB 3.27Å; F576-K580 WeakPolarHBondContact O-CB 3.26Å; F576-K580 PolarHBondContact O-N 3.3Å; F576-V594 HydrophobicContact CE2-CG1 4.15Å; F576-V594 HydrophobicContact CZ-CG1 4.5Å; F576-L595 HydrophobicContact CD1-CD1 3.95Å; F576-L595 HydrophobicContact CD2-CD1 3.8Å; F576-L595 HydrophobicContact CE1-CD1 3.73Å; F576-L595 HydrophobicContact CE2-CB 4.08Å; F576-L595 HydrophobicContact CE2-CD1 3.58Å; F576-L595 HydrophobicContact CE2-CG 4.46Å; F576-L595 HydrophobicContact CG-CD1 3.98Å; F576-L595 HydrophobicContact CZ-CB 3.93Å; F576-L595 HydrophobicContact CZ-CD1 3.53Å; F576-L595 HydrophobicContact CZ-CG 4.35Å; F576-F598 HydrophobicContact CB-CD1 4.02Å; F576-F598 HydrophobicContact CB-CE1 3.72Å; F576-F598 HydrophobicContact CB-CE2 4.47Å; F576-F598 HydrophobicContact CB-CG 4.5Å; F576-F598 HydrophobicContact CB-CZ 3.98Å; F576-F598 HydrophobicContact CD2-CB 3.8Å; F576-F598 AromaticContact CD2-CD1 3.7Å; F576-F598 HydrophobicContact CD2-CD1 3.7Å; F576-F598 HydrophobicContact CD2-CD2 4.19Å; F576-F598 HydrophobicContact CD2-CE1 4.28Å; F576-F598 AromaticContact CD2-CG 3.64Å; F576-F598 HydrophobicContact CD2-CG 3.64Å; F576-F598 HydrophobicContact CE2-CB 4.1Å; F576-F598 HydrophobicContact CE2-CG 4.42Å; F576-F598 HydrophobicContact CG-CD1 4.25Å; F576-F598 HydrophobicContact CG-CE1 4.44Å
577	S	89.6	Confident	81.7	Confident	72 Å²	72	66.4 Å²	66.4	50%	0.503	37%	0.365	S	S	.	.	H	α-helix	trans	-65	-40.5	179.7	-60.2	0	0	0	0	111.7	S573 C574 W575 H581	S573-S577 PolarHBondContact O-N 3.48Å; S573-S577 VanDerWaalsContact O-N 3.16Å; S573-S577 PolarHBondContact O-OG 3.02Å; C574-S577 WeakPolarHBondContact O-CB 3.48Å; C574-S577 PolarHBondContact O-N 3.19Å; W575-S577 VanDerWaalsContact C-N 3.31Å; W575-S577 PolarHBondContact O-N 2.93Å; S577-H581 WeakPolarHBondContact O-CB 3.47Å; S577-H581 PolarHBondContact O-N 3.37Å
578	E	90.5	Very high	80.6	Confident	67 Å²	67	65.9 Å²	65.9	31%	0.313	38%	0.378	S	S	.	.	H	α-helix	trans	-67.3	-44.7	174.6	-68.4	-180	-142.8	0	0	112.2	L561 H565 C574 W575 K580 H581 Q582	L561-E578 HydrophobicContact CD1-CB 3.93Å; L561-E578 HydrophobicContact CD2-CB 4.08Å; H565-E578 IonicContact CE1-OE1 3.08Å; H565-E578 PolarHBondContact CE1-OE1 3.01Å; H565-E578 IonicContact CE1-OE2 3.83Å; H565-E578 IonicContact NE2-OE1 3.27Å; H565-E578 IonicContact NE2-OE2 2.88Å; C574-E578 PolarHBondContact O-N 3.41Å; C574-E578 VanDerWaalsContact O-N 3.1Å; W575-E578 PolarHBondContact O-N 2.9Å; E578-K580 PolarHBondContact O-N 3.46Å; E578-H581 WeakPolarHBondContact O-CB 3.49Å; E578-H581 PolarHBondContact O-N 2.99Å; E578-H581 VanDerWaalsContact O-N 3.15Å; E578-Q582 PolarHBondContact O-N 3.38Å
579	F	91	Very high	79.8	Confident	0 Å²	0	66 Å²	66	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-58	-48.2	174.4	172.5	-110.4	0	0	0	111.5	D554 V557 I558 L561 W575 F576 H581 Q582 M583 V594 F598	D554-F579 HydrophobicContact CB-CE2 4.25Å; D554-F579 HydrophobicContact CB-CZ 4.16Å; V557-F579 HydrophobicContact CB-CD2 4.39Å; V557-F579 HydrophobicContact CB-CE2 4.36Å; V557-F579 HydrophobicContact CG1-CD2 3.83Å; V557-F579 HydrophobicContact CG1-CE2 4.2Å; I558-F579 HydrophobicContact CD1-CD2 3.95Å; I558-F579 HydrophobicContact CD1-CE1 4.5Å; I558-F579 HydrophobicContact CD1-CE2 3.83Å; I558-F579 HydrophobicContact CD1-CG 4.34Å; I558-F579 HydrophobicContact CD1-CZ 4.11Å; I558-F579 HydrophobicContact CG1-CD2 3.4Å; I558-F579 VanDerWaalsContact CG1-CD2 3.4Å; I558-F579 HydrophobicContact CG1-CE2 3.68Å; I558-F579 HydrophobicContact CG1-CG 3.97Å; I558-F579 HydrophobicContact CG1-CZ 4.43Å; L561-F579 HydrophobicContact CD1-CB 4.04Å; W575-F579 WeakPolarHBondContact O-CB 3.47Å; W575-F579 PolarHBondContact O-N 3.01Å; F576-F579 HydrophobicContact CD2-CD1 4.31Å; F576-F579 HydrophobicContact CE2-CD1 4.43Å; F576-F579 PolarHBondContact O-N 2.88Å; F579-H581 VanDerWaalsContact C-N 3.26Å; F579-H581 PolarHBondContact O-N 2.75Å; F579-Q582 PolarHBondContact O-N 3.1Å; F579-Q582 VanDerWaalsContact O-N 3.13Å; F579-M583 HydrophobicContact CD2-CG 4.23Å; F579-M583 HydrophobicContact CE1-CG 4.2Å; F579-M583 HydrophobicContact CE2-CG 3.8Å; F579-M583 HydrophobicContact CE2-SD 4.1Å; F579-M583 HydrophobicContact CZ-CE 4.14Å; F579-M583 HydrophobicContact CZ-CG 3.79Å; F579-M583 HydrophobicContact CZ-SD 4.23Å; F579-M583 WeakPolarHBondContact O-CG 3.35Å; F579-M583 PolarHBondContact O-N 3.03Å; F579-M583 VanDerWaalsContact O-N 3.1Å; F579-V594 HydrophobicContact CD1-CG1 4.26Å; F579-V594 HydrophobicContact CE1-CG1 3.8Å; F579-F598 HydrophobicContact CB-CD2 3.92Å; F579-F598 HydrophobicContact CB-CE2 4.08Å; F579-F598 HydrophobicContact CD1-CB 3.87Å; F579-F598 AromaticContact CD1-CD2 3.61Å; F579-F598 HydrophobicContact CD1-CD2 3.61Å; F579-F598 HydrophobicContact CD1-CG 4.11Å; F579-F598 HydrophobicContact CE1-CB 3.86Å; F579-F598 HydrophobicContact CE1-CD2 4.27Å; F579-F598 AromaticContact CG-CD2 3.78Å; F579-F598 HydrophobicContact CG-CD2 3.78Å; F579-F598 HydrophobicContact CG-CE2 4.4Å
580	K	88.7	Confident	79.4	Confident	104 Å²	104	73 Å²	73	45%	0.452	39%	0.393	S	S	.	.	H	α-helix	trans	-58.9	-38.1	176.5	-176	-177.1	176.7	-174.5	0	111.7	F576 E578 M583	F576-K580 HydrophobicContact CE1-CD 4.36Å; F576-K580 HydrophobicContact CZ-CD 4.48Å; F576-K580 VanDerWaalsContact O-CB 3.27Å; F576-K580 WeakPolarHBondContact O-CB 3.26Å; F576-K580 PolarHBondContact O-N 3.3Å; E578-K580 PolarHBondContact O-N 3.46Å; K580-M583 PolarHBondContact O-N 3.43Å
581	H	85.8	Confident	79.1	Confident	115 Å²	115	76.3 Å²	76.3	53%	0.532	41%	0.413	S	S	.	.	H	α-helix	trans	-66.6	-36.9	176.7	-175.3	-73.1	0	0	0	112.5	S577 E578 F579 M583 K584	S577-H581 WeakPolarHBondContact O-CB 3.47Å; S577-H581 PolarHBondContact O-N 3.37Å; E578-H581 WeakPolarHBondContact O-CB 3.49Å; E578-H581 PolarHBondContact O-N 2.99Å; E578-H581 VanDerWaalsContact O-N 3.15Å; F579-H581 VanDerWaalsContact C-N 3.26Å; F579-H581 PolarHBondContact O-N 2.75Å; H581-M583 VanDerWaalsContact C-N 3.34Å; H581-K584 VanDerWaalsContact CD2-CE 3.44Å; H581-K584 WeakPolarHBondContact CD2-CE 3.38Å; H581-K584 PolarHBondContact CD2-NZ 2.85Å; H581-K584 PolarHBondContact CE1-NZ 3.44Å; H581-K584 WeakPolarHBondContact NE2-CE 3.41Å; H581-K584 PolarHBondContact NE2-NZ 3.47Å; H581-K584 WeakPolarHBondContact O-CB 3.3Å; H581-K584 VanDerWaalsContact O-CD 3.23Å; H581-K584 WeakPolarHBondContact O-CD 3.26Å; H581-K584 WeakPolarHBondContact O-CG 3.16Å
582	Q	82.6	Confident	78.9	Confident	106 Å²	106	82.2 Å²	82.2	50%	0.495	44%	0.437	S	S	.	.	H	α-helix	trans	-72.4	-28.8	176.4	-66.6	-152.6	12.3	0	0	112.9	V557 E578 F579 K584	V557-Q582 HydrophobicContact CG1-CB 4.02Å; V557-Q582 HydrophobicContact CG1-CG 4.5Å; E578-Q582 PolarHBondContact O-N 3.38Å; F579-Q582 PolarHBondContact O-N 3.1Å; F579-Q582 VanDerWaalsContact O-N 3.13Å; Q582-K584 PolarHBondContact O-N 3.4Å; Q582-K584 VanDerWaalsContact O-N 3.08Å
583	M	79.4	Confident	78.7	Confident	24 Å²	24	86.6 Å²	86.6	12%	0.118	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	14.5	178.6	-65.1	-65.1	-86.9	0	0	114.4	D554 F579 K580 H581 S585 S586 R597	D554-M583 WeakPolarHBondContact OD1-CE 3.27Å; F579-M583 HydrophobicContact CD2-CG 4.23Å; F579-M583 HydrophobicContact CE1-CG 4.2Å; F579-M583 HydrophobicContact CE2-CG 3.8Å; F579-M583 HydrophobicContact CE2-SD 4.1Å; F579-M583 HydrophobicContact CZ-CE 4.14Å; F579-M583 HydrophobicContact CZ-CG 3.79Å; F579-M583 HydrophobicContact CZ-SD 4.23Å; F579-M583 WeakPolarHBondContact O-CG 3.35Å; F579-M583 PolarHBondContact O-N 3.03Å; F579-M583 VanDerWaalsContact O-N 3.1Å; K580-M583 PolarHBondContact O-N 3.43Å; H581-M583 VanDerWaalsContact C-N 3.34Å; M583-S585 PolarHBondContact O-N 3.41Å; M583-S586 VanDerWaalsContact O-CB 3.31Å; M583-S586 WeakPolarHBondContact O-CB 3.49Å; M583-S586 PolarHBondContact O-N 2.83Å; M583-S586 PolarHBondContact O-OG 3.05Å; M583-R597 VanDerWaalsContact CE-NH1 3.27Å
584	K	64.2	Low	78.6	Confident	126 Å²	126	83.5 Å²	83.5	55%	0.548	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-14.2	-176	-89.4	174.9	178.2	-172.1	0	115.6	H581 Q582 S586	H581-K584 VanDerWaalsContact CD2-CE 3.44Å; H581-K584 WeakPolarHBondContact CD2-CE 3.38Å; H581-K584 PolarHBondContact CD2-NZ 2.85Å; H581-K584 PolarHBondContact CE1-NZ 3.44Å; H581-K584 WeakPolarHBondContact NE2-CE 3.41Å; H581-K584 PolarHBondContact NE2-NZ 3.47Å; H581-K584 WeakPolarHBondContact O-CB 3.3Å; H581-K584 VanDerWaalsContact O-CD 3.23Å; H581-K584 WeakPolarHBondContact O-CD 3.26Å; H581-K584 WeakPolarHBondContact O-CG 3.16Å; Q582-K584 PolarHBondContact O-N 3.4Å; Q582-K584 VanDerWaalsContact O-N 3.08Å; K584-S586 PolarHBondContact O-N 3.16Å
585	S	55.2	Low	78.7	Confident	113 Å²	113	83.2 Å²	83.2	79%	0.79	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-6.1	169.6	56.7	0	0	0	0	114.5	M583 H587	M583-S585 PolarHBondContact O-N 3.41Å; S585-H587 VanDerWaalsContact C-N 3.35Å; S585-H587 PolarHBondContact O-N 2.99Å
586	S	54.3	Low	78.7	Confident	32 Å²	32	86.1 Å²	86.1	22%	0.224	46%	0.455	C	S	.	.			trans	-94.2	37.8	-177.3	-54.8	0	0	0	0	113.6	M583 K584 G588 K589	M583-S586 VanDerWaalsContact O-CB 3.31Å; M583-S586 WeakPolarHBondContact O-CB 3.49Å; M583-S586 PolarHBondContact O-N 2.83Å; M583-S586 PolarHBondContact O-OG 3.05Å; K584-S586 PolarHBondContact O-N 3.16Å; S586-G588 PolarHBondContact O-N 2.85Å; S586-K589 PolarHBondContact O-N 3.43Å
587	H	50.1	Low	78.6	Confident	187 Å²	187	87.9 Å²	87.9	87%	0.866	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	107.1	175.8	-82.8	-63.9	0	0	0	110.2	S585	S585-H587 VanDerWaalsContact C-N 3.35Å; S585-H587 PolarHBondContact O-N 2.99Å
588	G	59.9	Low	78.8	Confident	83 Å²	83	84.4 Å²	84.4	86%	0.856	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	125	-13	177.7	0	0	0	0	0	116.4	S586	S586-G588 PolarHBondContact O-N 2.85Å
589	K	65.1	Low	79	Confident	110 Å²	110	86.5 Å²	86.5	48%	0.478	44%	0.442	S	S	.	.			trans	-80.8	133.9	177	-68.2	-173.4	-180	177.8	0	111.5	S586 V591 V594	S586-K589 PolarHBondContact O-N 3.43Å; K589-V591 PolarHBondContact O-N 2.75Å; K589-V594 HydrophobicContact CB-CG2 4.46Å
590	R	77.4	Confident	79.2	Confident	192 Å²	192	94.3 Å²	94.3	73%	0.725	47%	0.472	S	S	*	.			trans	-55.9	133.9	171.8	-67.4	-173.7	-177.3	-174.4	1.7	109.6	E592 L593 V594	R590-E592 PolarHBondContact O-N 3.2Å; R590-E592 VanDerWaalsContact O-N 3.15Å; R590-L593 WeakPolarHBondContact O-CB 3.4Å; R590-L593 PolarHBondContact O-N 3.33Å; R590-V594 PolarHBondContact O-N 3.28Å
591	V	82.4	Confident	79.5	Confident	77 Å²	77	90 Å²	90	47%	0.467	45%	0.454	S	S	.	.	H	α-helix	trans	-54.4	-35.7	-178.8	173.7	0	0	0	0	111.7	K589 L593 V594 L595	K589-V591 PolarHBondContact O-N 2.75Å; V591-L593 PolarHBondContact O-N 2.92Å; V591-V594 PolarHBondContact O-N 3.49Å; V591-V594 VanDerWaalsContact O-N 3.16Å; V591-L595 WeakPolarHBondContact O-CB 3.42Å; V591-L595 PolarHBondContact O-N 3.01Å
592	E	85.1	Confident	79.9	Confident	139 Å²	139	85 Å²	85	65%	0.65	43%	0.431	S	S	*	.	H	α-helix	trans	-53.2	-39.5	174.5	-64.5	160.1	172.8	0	0	112.6	R590 L595 A596	R590-E592 PolarHBondContact O-N 3.2Å; R590-E592 VanDerWaalsContact O-N 3.15Å; E592-L595 PolarHBondContact O-N 3.48Å; E592-A596 WeakPolarHBondContact O-CB 3.39Å; E592-A596 PolarHBondContact O-N 3.1Å
593	L	87.1	Confident	80.4	Confident	96 Å²	96	82 Å²	82	50%	0.503	43%	0.425	S	S	.	.	H	α-helix	trans	-75.1	-34.9	-177.6	-147.9	149.4	0	0	0	111.1	R590 V591 R597	R590-L593 WeakPolarHBondContact O-CB 3.4Å; R590-L593 PolarHBondContact O-N 3.33Å; V591-L593 PolarHBondContact O-N 2.92Å; L593-R597 VanDerWaalsContact O-CG 3.27Å; L593-R597 WeakPolarHBondContact O-CG 3.16Å; L593-R597 PolarHBondContact O-N 2.98Å; L593-R597 VanDerWaalsContact O-N 3.16Å
594	V	88.5	Confident	81	Confident	13 Å²	13	84.1 Å²	84.1	8%	0.079	44%	0.437	C	S	.	.	H	α-helix	trans	-67.8	-41.7	172.4	-176.9	0	0	0	0	110.5	F576 F579 K589 R590 V591 R597 F598	F576-V594 HydrophobicContact CE2-CG1 4.15Å; F576-V594 HydrophobicContact CZ-CG1 4.5Å; F579-V594 HydrophobicContact CD1-CG1 4.26Å; F579-V594 HydrophobicContact CE1-CG1 3.8Å; K589-V594 HydrophobicContact CB-CG2 4.46Å; R590-V594 PolarHBondContact O-N 3.28Å; V591-V594 PolarHBondContact O-N 3.49Å; V591-V594 VanDerWaalsContact O-N 3.16Å; V594-R597 PolarHBondContact O-N 3.03Å; V594-F598 PolarHBondContact O-N 3.38Å
595	L	91	Very high	82.4	Confident	62 Å²	62	78.5 Å²	78.5	33%	0.325	41%	0.412	S	S	.	.	H	α-helix	trans	-63.1	-43.8	176.8	-170.8	67.6	0	0	0	111.8	F576 V591 E592 R597 F598 Y599	F576-L595 HydrophobicContact CD1-CD1 3.95Å; F576-L595 HydrophobicContact CD2-CD1 3.8Å; F576-L595 HydrophobicContact CE1-CD1 3.73Å; F576-L595 HydrophobicContact CE2-CB 4.08Å; F576-L595 HydrophobicContact CE2-CD1 3.58Å; F576-L595 HydrophobicContact CE2-CG 4.46Å; F576-L595 HydrophobicContact CG-CD1 3.98Å; F576-L595 HydrophobicContact CZ-CB 3.93Å; F576-L595 HydrophobicContact CZ-CD1 3.53Å; F576-L595 HydrophobicContact CZ-CG 4.35Å; V591-L595 WeakPolarHBondContact O-CB 3.42Å; V591-L595 PolarHBondContact O-N 3.01Å; E592-L595 PolarHBondContact O-N 3.48Å; L595-R597 PolarHBondContact O-N 3.4Å; L595-F598 PolarHBondContact O-N 2.93Å; L595-Y599 HydrophobicContact CD1-CD2 3.94Å; L595-Y599 HydrophobicContact CD1-CE2 3.53Å; L595-Y599 HydrophobicContact CD2-CE2 4.29Å; L595-Y599 HydrophobicContact CG-CD2 3.84Å; L595-Y599 HydrophobicContact CG-CE2 3.75Å; L595-Y599 WeakPolarHBondContact O-CD2 3.31Å; L595-Y599 PolarHBondContact O-N 3.48Å
596	A	91.1	Very high	84.2	Confident	61 Å²	61	78 Å²	78	50%	0.504	40%	0.398	S	S	.	.	H	α-helix	trans	-61.1	-42.8	176.3	0	0	0	0	0	112.2	E592 R600	E592-A596 WeakPolarHBondContact O-CB 3.39Å; E592-A596 PolarHBondContact O-N 3.1Å; A596-R600 VanDerWaalsContact O-CB 3.3Å; A596-R600 WeakPolarHBondContact O-CB 3.29Å; A596-R600 PolarHBondContact O-N 3.15Å
597	R	91.4	Very high	85.9	Confident	66 Å²	66	86.4 Å²	86.4	25%	0.249	43%	0.426	C	S	.	.	H	α-helix	trans	-61.7	-43.3	175.3	-71.1	168.6	70.6	-171	7.3	112	D554 M583 L593 V594 L595 R600 V601	D554-R597 IonicContact OD1-CZ 2.91Å; D554-R597 VanDerWaalsContact OD1-CZ 3.27Å; D554-R597 IonicContact OD1-NE 3.34Å; D554-R597 IonicContact OD1-NH2 2.65Å; D554-R597 PolarHBondContact OD1-NH2 3.27Å; D554-R597 IonicContact OD2-CZ 3.38Å; D554-R597 IonicContact OD2-NE 3.85Å; D554-R597 PolarHBondContact OD2-NE 3.09Å; D554-R597 IonicContact OD2-NH2 2.62Å; D554-R597 PolarHBondContact OD2-NH2 3.16Å; M583-R597 VanDerWaalsContact CE-NH1 3.27Å; L593-R597 VanDerWaalsContact O-CG 3.27Å; L593-R597 WeakPolarHBondContact O-CG 3.16Å; L593-R597 PolarHBondContact O-N 2.98Å; L593-R597 VanDerWaalsContact O-N 3.16Å; V594-R597 PolarHBondContact O-N 3.03Å; L595-R597 PolarHBondContact O-N 3.4Å; R597-R600 PolarHBondContact O-N 3.48Å; R597-V601 PolarHBondContact O-N 3.16Å; R597-V601 VanDerWaalsContact O-N 3.16Å
598	F	94.4	Very high	87.6	Confident	0 Å²	0	81 Å²	81	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-61.6	-52.7	177.2	178.6	-102.5	0	0	0	112.1	I558 V572 W575 F576 F579 V594 L595 R600 V601 L602	I558-F598 HydrophobicContact CD1-CD2 3.57Å; I558-F598 HydrophobicContact CD1-CE2 4.21Å; I558-F598 HydrophobicContact CD1-CG 4.4Å; I558-F598 HydrophobicContact CG1-CD2 3.94Å; I558-F598 HydrophobicContact CG1-CE2 4.2Å; I558-F598 HydrophobicContact CG2-CE2 4.41Å; V572-F598 HydrophobicContact CG1-CE1 3.89Å; W575-F598 HydrophobicContact CB-CZ 4.06Å; W575-F598 HydrophobicContact CD2-CE2 4.25Å; W575-F598 HydrophobicContact CD2-CZ 4.04Å; W575-F598 HydrophobicContact CE3-CZ 4.32Å; W575-F598 HydrophobicContact CG-CE2 4.08Å; W575-F598 AromaticContact CG-CZ 3.91Å; W575-F598 HydrophobicContact CG-CZ 3.91Å; F576-F598 HydrophobicContact CB-CD1 4.02Å; F576-F598 HydrophobicContact CB-CE1 3.72Å; F576-F598 HydrophobicContact CB-CE2 4.47Å; F576-F598 HydrophobicContact CB-CG 4.5Å; F576-F598 HydrophobicContact CB-CZ 3.98Å; F576-F598 HydrophobicContact CD2-CB 3.8Å; F576-F598 AromaticContact CD2-CD1 3.7Å; F576-F598 HydrophobicContact CD2-CD1 3.7Å; F576-F598 HydrophobicContact CD2-CD2 4.19Å; F576-F598 HydrophobicContact CD2-CE1 4.28Å; F576-F598 AromaticContact CD2-CG 3.64Å; F576-F598 HydrophobicContact CD2-CG 3.64Å; F576-F598 HydrophobicContact CE2-CB 4.1Å; F576-F598 HydrophobicContact CE2-CG 4.42Å; F576-F598 HydrophobicContact CG-CD1 4.25Å; F576-F598 HydrophobicContact CG-CE1 4.44Å; F579-F598 HydrophobicContact CB-CD2 3.92Å; F579-F598 HydrophobicContact CB-CE2 4.08Å; F579-F598 HydrophobicContact CD1-CB 3.87Å; F579-F598 AromaticContact CD1-CD2 3.61Å; F579-F598 HydrophobicContact CD1-CD2 3.61Å; F579-F598 HydrophobicContact CD1-CG 4.11Å; F579-F598 HydrophobicContact CE1-CB 3.86Å; F579-F598 HydrophobicContact CE1-CD2 4.27Å; F579-F598 AromaticContact CG-CD2 3.78Å; F579-F598 HydrophobicContact CG-CD2 3.78Å; F579-F598 HydrophobicContact CG-CE2 4.4Å; V594-F598 PolarHBondContact O-N 3.38Å; L595-F598 PolarHBondContact O-N 2.93Å; F598-R600 VanDerWaalsContact C-N 3.26Å; F598-R600 PolarHBondContact O-N 3.29Å; F598-V601 PolarHBondContact O-N 2.95Å; F598-L602 HydrophobicContact CD1-CD1 3.98Å; F598-L602 HydrophobicContact CD1-CG 4.34Å; F598-L602 HydrophobicContact CE1-CD1 3.37Å; F598-L602 HydrophobicContact CE1-CG 4.02Å; F598-L602 HydrophobicContact CE2-CD2 4.5Å; F598-L602 HydrophobicContact CZ-CD1 3.73Å; F598-L602 HydrophobicContact CZ-CD2 4.21Å; F598-L602 HydrophobicContact CZ-CG 4.12Å; F598-L602 PolarHBondContact O-N 2.81Å
599	Y	94.3	Very high	88.9	Confident	110 Å²	110	78.6 Å²	78.6	43%	0.431	38%	0.381	S	S	.	.	H	α-helix	trans	-64.4	-30.4	178.2	-81.6	-65.9	0	0	0	113.2	V572 L595 L602 A603	V572-Y599 HydrophobicContact CG1-CE1 3.93Å; L595-Y599 HydrophobicContact CD1-CD2 3.94Å; L595-Y599 HydrophobicContact CD1-CE2 3.53Å; L595-Y599 HydrophobicContact CD2-CE2 4.29Å; L595-Y599 HydrophobicContact CG-CD2 3.84Å; L595-Y599 HydrophobicContact CG-CE2 3.75Å; L595-Y599 WeakPolarHBondContact O-CD2 3.31Å; L595-Y599 PolarHBondContact O-N 3.48Å; Y599-L602 HydrophobicContact CD1-CD1 4.24Å; Y599-L602 HydrophobicContact CE1-CD1 4.47Å; Y599-L602 PolarHBondContact O-N 3.23Å; Y599-A603 WeakPolarHBondContact O-CB 3.5Å; Y599-A603 PolarHBondContact O-N 3.02Å
600	R	94.9	Very high	90	Very high	165 Å²	165	73.4 Å²	73.4	62%	0.623	36%	0.358	S	S	*	.	H	α-helix	trans	-61.1	-47.5	173.5	179.5	59.9	-177	177	3.5	111.4	A596 R597 F598 A603 D604	A596-R600 VanDerWaalsContact O-CB 3.3Å; A596-R600 WeakPolarHBondContact O-CB 3.29Å; A596-R600 PolarHBondContact O-N 3.15Å; R597-R600 PolarHBondContact O-N 3.48Å; F598-R600 VanDerWaalsContact C-N 3.26Å; F598-R600 PolarHBondContact O-N 3.29Å; R600-A603 PolarHBondContact O-N 3.13Å; R600-D604 IonicContact CZ-OD1 2.72Å; R600-D604 IonicContact NE-OD1 3.6Å; R600-D604 IonicContact NE-OD2 2.76Å; R600-D604 IonicContact NH2-OD1 2.7Å; R600-D604 PolarHBondContact O-N 3.04Å
601	V	94.6	Very high	90.6	Very high	12 Å²	12	64.6 Å²	64.6	7%	0.073	33%	0.325	C	S	.	.	H	α-helix	trans	-64.9	-40.1	176.5	173.5	0	0	0	0	111.4	D554 A555 I558 R597 F598 A603 D604 F605	D554-V601 HydrophobicContact CB-CG2 3.84Å; A555-V601 HydrophobicContact CB-CG1 4.31Å; I558-V601 HydrophobicContact CB-CG1 4.06Å; I558-V601 HydrophobicContact CD1-CB 3.62Å; I558-V601 HydrophobicContact CD1-CG1 3.71Å; I558-V601 HydrophobicContact CD1-CG2 3.91Å; I558-V601 HydrophobicContact CG1-CG1 4.48Å; I558-V601 HydrophobicContact CG2-CG1 3.94Å; R597-V601 PolarHBondContact O-N 3.16Å; R597-V601 VanDerWaalsContact O-N 3.16Å; F598-V601 PolarHBondContact O-N 2.95Å; V601-A603 VanDerWaalsContact C-N 3.31Å; V601-A603 PolarHBondContact O-N 2.79Å; V601-D604 PolarHBondContact O-N 3.45Å; V601-F605 HydrophobicContact CG1-CD1 4.06Å; V601-F605 HydrophobicContact CG1-CD2 4.33Å; V601-F605 HydrophobicContact CG1-CE1 3.72Å; V601-F605 HydrophobicContact CG1-CE2 4.01Å; V601-F605 HydrophobicContact CG1-CG 4.35Å; V601-F605 HydrophobicContact CG1-CZ 3.67Å; V601-F605 WeakPolarHBondContact O-CB 3.35Å; V601-F605 WeakPolarHBondContact O-CD1 3.44Å; V601-F605 WeakPolarHBondContact O-CG 3.48Å; V601-F605 PolarHBondContact O-N 3.32Å
602	L	94.8	Very high	91.1	Very high	11 Å²	11	63.3 Å²	63.3	6%	0.058	32%	0.32	C	S	.	.	H	α-helix	trans	-61	-40.8	175.5	-66.9	-169.5	0	0	0	112.2	I558 V572 W575 F598 Y599 D604 F605 E606 I611	I558-L602 HydrophobicContact CG2-CD2 4.25Å; V572-L602 HydrophobicContact CG1-CD1 3.98Å; W575-L602 HydrophobicContact CD2-CD2 4.47Å; W575-L602 HydrophobicContact CE3-CD2 3.84Å; W575-L602 HydrophobicContact CH2-CD2 3.49Å; W575-L602 VanDerWaalsContact CH2-CD2 3.49Å; W575-L602 HydrophobicContact CZ2-CD2 4.14Å; W575-L602 HydrophobicContact CZ3-CD2 3.31Å; F598-L602 HydrophobicContact CD1-CD1 3.98Å; F598-L602 HydrophobicContact CD1-CG 4.34Å; F598-L602 HydrophobicContact CE1-CD1 3.37Å; F598-L602 HydrophobicContact CE1-CG 4.02Å; F598-L602 HydrophobicContact CE2-CD2 4.5Å; F598-L602 HydrophobicContact CZ-CD1 3.73Å; F598-L602 HydrophobicContact CZ-CD2 4.21Å; F598-L602 HydrophobicContact CZ-CG 4.12Å; F598-L602 PolarHBondContact O-N 2.81Å; Y599-L602 HydrophobicContact CD1-CD1 4.24Å; Y599-L602 HydrophobicContact CE1-CD1 4.47Å; Y599-L602 PolarHBondContact O-N 3.23Å; L602-D604 VanDerWaalsContact C-N 3.34Å; L602-F605 PolarHBondContact O-N 3.15Å; L602-E606 WeakPolarHBondContact O-CB 3.48Å; L602-E606 PolarHBondContact O-N 3.41Å; L602-I611 HydrophobicContact CB-CD1 4.19Å; L602-I611 HydrophobicContact CD2-CD1 3.89Å
603	A	93.2	Very high	91.3	Very high	44 Å²	44	58.8 Å²	58.8	36%	0.364	30%	0.303	S	S	.	.	H	α-helix	trans	-63.4	-40.3	175	0	0	0	0	0	111.8	Y599 R600 V601 F605 E606 Y607	Y599-A603 WeakPolarHBondContact O-CB 3.5Å; Y599-A603 PolarHBondContact O-N 3.02Å; R600-A603 PolarHBondContact O-N 3.13Å; V601-A603 VanDerWaalsContact C-N 3.31Å; V601-A603 PolarHBondContact O-N 2.79Å; A603-F605 VanDerWaalsContact C-N 3.34Å; A603-E606 PolarHBondContact O-N 3.1Å; A603-Y607 VanDerWaalsContact O-CB 3.3Å; A603-Y607 WeakPolarHBondContact O-CB 3.3Å; A603-Y607 PolarHBondContact O-N 3.27Å
604	D	93.1	Very high	91.6	Very high	67 Å²	67	57.9 Å²	57.9	36%	0.358	29%	0.293	S	S	.	.	H	α-helix	trans	-65.5	-37.7	174.7	-65	-25.7	0	0	0	111.2	R600 V601 L602 Y607 V608	R600-D604 IonicContact CZ-OD1 2.72Å; R600-D604 IonicContact NE-OD1 3.6Å; R600-D604 IonicContact NE-OD2 2.76Å; R600-D604 IonicContact NH2-OD1 2.7Å; R600-D604 PolarHBondContact O-N 3.04Å; V601-D604 PolarHBondContact O-N 3.45Å; L602-D604 VanDerWaalsContact C-N 3.34Å; D604-Y607 PolarHBondContact O-N 2.92Å; D604-V608 WeakPolarHBondContact O-CG2 3.44Å; D604-V608 PolarHBondContact O-N 3.16Å
605	F	93.2	Very high	91.7	Very high	9 Å²	9	66.8 Å²	66.8	4%	0.039	33%	0.325	C	S	.	.	H	α-helix	trans	-70.5	-37	176.9	-77.6	11.3	0	0	0	112.8	I547 A555 I558 F559 W575 V601 L602 A603 G609 I610 I611	I547-F605 HydrophobicContact CD1-CE1 4.09Å; I547-F605 HydrophobicContact CD1-CZ 4.46Å; A555-F605 HydrophobicContact CB-CE1 4.4Å; A555-F605 HydrophobicContact CB-CZ 4.5Å; I558-F605 HydrophobicContact CG2-CD2 4.42Å; I558-F605 HydrophobicContact CG2-CE2 3.85Å; F559-F605 HydrophobicContact CB-CE2 4.06Å; F559-F605 HydrophobicContact CB-CZ 3.83Å; F559-F605 HydrophobicContact CD2-CE2 4.02Å; F559-F605 HydrophobicContact CD2-CZ 4.03Å; F559-F605 HydrophobicContact CG-CZ 4.4Å; W575-F605 HydrophobicContact CH2-CD2 4.41Å; V601-F605 HydrophobicContact CG1-CD1 4.06Å; V601-F605 HydrophobicContact CG1-CD2 4.33Å; V601-F605 HydrophobicContact CG1-CE1 3.72Å; V601-F605 HydrophobicContact CG1-CE2 4.01Å; V601-F605 HydrophobicContact CG1-CG 4.35Å; V601-F605 HydrophobicContact CG1-CZ 3.67Å; V601-F605 WeakPolarHBondContact O-CB 3.35Å; V601-F605 WeakPolarHBondContact O-CD1 3.44Å; V601-F605 WeakPolarHBondContact O-CG 3.48Å; V601-F605 PolarHBondContact O-N 3.32Å; L602-F605 PolarHBondContact O-N 3.15Å; A603-F605 VanDerWaalsContact C-N 3.34Å; F605-G609 PolarHBondContact O-N 2.91Å; F605-I610 HydrophobicContact CB-CB 4.08Å; F605-I610 HydrophobicContact CB-CD1 4.26Å; F605-I610 HydrophobicContact CD1-CD1 3.64Å; F605-I610 HydrophobicContact CD2-CD1 4.3Å; F605-I610 HydrophobicContact CD2-CG2 4.3Å; F605-I610 HydrophobicContact CE1-CD1 4.01Å; F605-I610 HydrophobicContact CG-CB 4.33Å; F605-I610 HydrophobicContact CG-CD1 3.81Å; F605-I610 PolarHBondContact O-N 3.38Å; F605-I611 HydrophobicContact CB-CD1 3.93Å; F605-I611 HydrophobicContact CB-CG1 3.94Å
606	E	92.1	Very high	91.5	Very high	103 Å²	103	71.7 Å²	71.7	48%	0.481	34%	0.339	S	S	.	.	H	α-helix	trans	-64.1	-46.2	171.1	179	179.4	-172.9	0	0	110.5	L602 A603 V608 G609 I611 P613	L602-E606 WeakPolarHBondContact O-CB 3.48Å; L602-E606 PolarHBondContact O-N 3.41Å; A603-E606 PolarHBondContact O-N 3.1Å; E606-V608 VanDerWaalsContact C-N 3.3Å; E606-V608 PolarHBondContact O-N 3.46Å; E606-G609 PolarHBondContact O-N 3.42Å; E606-I611 HydrophobicContact CB-CG1 4.22Å; E606-P613 HydrophobicContact CG-CG 4.36Å; E606-P613 VanDerWaalsContact OE1-CG 3.29Å; E606-P613 WeakPolarHBondContact OE1-CG 3.33Å
607	Y	89.8	Confident	91.2	Very high	207 Å²	207	76.1 Å²	76.1	81%	0.812	36%	0.355	S	S	*	.	H	α-helix	trans	-58.6	-40.3	179.1	179	-98.3	0	0	0	112.7	A603 D604 G609	A603-Y607 VanDerWaalsContact O-CB 3.3Å; A603-Y607 WeakPolarHBondContact O-CB 3.3Å; A603-Y607 PolarHBondContact O-N 3.27Å; D604-Y607 PolarHBondContact O-N 2.92Å; Y607-G609 VanDerWaalsContact C-N 3.32Å
608	V	86.2	Confident	90.9	Very high	75 Å²	75	76.3 Å²	76.3	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-82.4	-11.2	177.5	-177.7	0	0	0	0	112.6	L543 D604 E606	L543-V608 HydrophobicContact CD1-CG1 3.77Å; L543-V608 HydrophobicContact CD2-CG1 3.52Å; L543-V608 HydrophobicContact CG-CG1 4.31Å; D604-V608 WeakPolarHBondContact O-CG2 3.44Å; D604-V608 PolarHBondContact O-N 3.16Å; E606-V608 VanDerWaalsContact C-N 3.3Å; E606-V608 PolarHBondContact O-N 3.46Å
609	G	86.4	Confident	90.5	Very high	32 Å²	32	80.1 Å²	80.1	33%	0.33	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	25.5	178.5	0	0	0	0	0	114.8	F605 E606 Y607 M625	F605-G609 PolarHBondContact O-N 2.91Å; E606-G609 PolarHBondContact O-N 3.42Å; Y607-G609 VanDerWaalsContact C-N 3.32Å; G609-M625 VanDerWaalsContact O-CB 3.23Å; G609-M625 WeakPolarHBondContact O-CB 3.35Å
610	I	88.3	Confident	90.4	Very high	1 Å²	1	77.5 Å²	77.5	1%	0.005	39%	0.39	C	S	.	.	S	Bend	trans	-73.1	-37	171.1	-60.5	172.3	0	0	0	110.4	W540 L543 I547 F559 Y562 F605 M625 L626	W540-I610 HydrophobicContact CZ3-CG1 4.16Å; L543-I610 HydrophobicContact CD2-CD1 3.87Å; L543-I610 HydrophobicContact CD2-CG1 4.05Å; I547-I610 HydrophobicContact CD1-CD1 3.78Å; F559-I610 HydrophobicContact CD2-CD1 4.42Å; F559-I610 HydrophobicContact CE2-CD1 4.25Å; F559-I610 HydrophobicContact CE2-CG2 4.25Å; Y562-I610 HydrophobicContact CD2-CG2 4.44Å; Y562-I610 HydrophobicContact CE1-CG2 4.18Å; Y562-I610 HydrophobicContact CE2-CG2 3.97Å; F605-I610 HydrophobicContact CB-CB 4.08Å; F605-I610 HydrophobicContact CB-CD1 4.26Å; F605-I610 HydrophobicContact CD1-CD1 3.64Å; F605-I610 HydrophobicContact CD2-CD1 4.3Å; F605-I610 HydrophobicContact CD2-CG2 4.3Å; F605-I610 HydrophobicContact CE1-CD1 4.01Å; F605-I610 HydrophobicContact CG-CB 4.33Å; F605-I610 HydrophobicContact CG-CD1 3.81Å; F605-I610 PolarHBondContact O-N 3.38Å; I610-M625 PolarHBondContact O-N 2.93Å; I610-M625 VanDerWaalsContact O-N 3.09Å; I610-L626 HydrophobicContact CB-CD1 4.39Å; I610-L626 HydrophobicContact CG1-CD1 4.1Å
611	I	90.4	Very high	90.2	Very high	6 Å²	6	72.6 Å²	72.6	3%	0.031	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	156.4	-178.5	63.9	179.9	0	0	0	111.3	Y562 W575 L602 F605 E606 C622 K623	Y562-I611 HydrophobicContact CD2-CG2 4.12Å; Y562-I611 HydrophobicContact CE2-CG2 3.9Å; W575-I611 HydrophobicContact CH2-CG2 4.23Å; W575-I611 HydrophobicContact CZ3-CD1 4.4Å; W575-I611 HydrophobicContact CZ3-CG2 4.38Å; L602-I611 HydrophobicContact CB-CD1 4.19Å; L602-I611 HydrophobicContact CD2-CD1 3.89Å; F605-I611 HydrophobicContact CB-CD1 3.93Å; F605-I611 HydrophobicContact CB-CG1 3.94Å; E606-I611 HydrophobicContact CB-CG1 4.22Å; I611-C622 HydrophobicContact CB-CB 4.17Å; I611-C622 HydrophobicContact CD1-CB 4.32Å; I611-C622 HydrophobicContact CG2-CB 4.41Å; I611-K623 CarbonylContact C-O 3.54Å; I611-K623 VanDerWaalsContact CA-O 3.31Å; I611-K623 WeakPolarHBondContact CA-O 3.09Å
612	S	92.7	Very high	90.1	Very high	51 Å²	51	72.2 Å²	72.2	36%	0.357	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	115.5	168.8	-179.2	0	0	0	0	109.8	K623	S612-K623 PolarHBondContact N-O 3.2Å; S612-K623 PolarHBondContact O-N 2.88Å
613	P	91	Very high	89.8	Confident	43 Å²	43	76.9 Å²	76.9	28%	0.279	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	142.2	-179	29.8	-33.8	0	0	0	111.7	E606 L620 Y621	E606-P613 HydrophobicContact CG-CG 4.36Å; E606-P613 VanDerWaalsContact OE1-CG 3.29Å; E606-P613 WeakPolarHBondContact OE1-CG 3.33Å; P613-L620 HydrophobicContact CB-CD1 4.25Å; P613-Y621 CarbonylContact C-O 3.51Å; P613-Y621 WeakPolarHBondContact CA-O 3.42Å
614	Y	92	Very high	89.5	Confident	77 Å²	77	76.4 Å²	76.4	30%	0.302	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	160.6	171	71	-82.2	0	0	0	110.5	S569 R616 Y621 K623	S569-Y614 WeakPolarHBondContact CB-OH 3.48Å; S569-Y614 PolarHBondContact OG-OH 3.04Å; Y614-R616 HydrophobicContact CE2-CB 4.25Å; Y614-Y621 VanDerWaalsContact CE1-CB 3.49Å; Y614-Y621 HydrophobicContact CE2-CD2 4.33Å; Y614-Y621 HydrophobicContact CE2-CG 4.26Å; Y614-Y621 AromaticContact CZ-CG 3.98Å; Y614-Y621 PolarHBondContact N-O 3.49Å; Y614-Y621 PolarHBondContact O-N 3.16Å; Y614-Y621 VanDerWaalsContact O-O 3.09Å; Y614-K623 HydrophobicContact CD1-CB 4.15Å; Y614-K623 HydrophobicContact CE1-CB 3.95Å
615	R	90.5	Very high	88.9	Confident	200 Å²	200	78.2 Å²	78.2	76%	0.755	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	137.2	177.6	-69	-175.8	179.4	-177	-0.2	110.8	I619 L620	R615-I619 WeakPolarHBondContact CA-O 3.15Å; R615-L620 HydrophobicContact CG-CD1 4.06Å
616	R	86.6	Confident	87.7	Confident	165 Å²	165	83.8 Å²	83.8	62%	0.623	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	121.6	170.9	-173	177.9	-178.6	-179.9	0.7	108.6	Y614 G618 I619 Y621	Y614-R616 HydrophobicContact CE2-CB 4.25Å; R616-G618 VanDerWaalsContact C-N 3.27Å; R616-G618 PolarHBondContact O-N 2.72Å; R616-I619 PolarHBondContact N-O 2.76Å; R616-I619 PolarHBondContact O-N 2.7Å; R616-Y621 HydrophobicContact CB-CD2 4.06Å; R616-Y621 HydrophobicContact CB-CE2 3.99Å
617	N	85.8	Confident	87.5	Confident	154 Å²	154	82.8 Å²	82.8	82%	0.824	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	41.1	-176.8	-57.9	-11.9	0	0	0	113.3	I619	N617-I619 PolarHBondContact O-N 3.08Å
618	G	85	Confident	87.4	Confident	70 Å²	70	76.3 Å²	76.3	72%	0.722	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	-9	-179	0	0	0	0	0	115.5	R616	R616-G618 VanDerWaalsContact C-N 3.27Å; R616-G618 PolarHBondContact O-N 2.72Å
619	I	86.6	Confident	87.4	Confident	80 Å²	80	76.3 Å²	76.3	41%	0.41	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.6	178.5	-57.6	170.6	0	0	0	109.3	R615 R616 N617 Y621	R615-I619 WeakPolarHBondContact CA-O 3.15Å; R616-I619 PolarHBondContact N-O 2.76Å; R616-I619 PolarHBondContact O-N 2.7Å; N617-I619 PolarHBondContact O-N 3.08Å; I619-Y621 HydrophobicContact CB-CD2 4.39Å; I619-Y621 HydrophobicContact CB-CE2 3.71Å; I619-Y621 HydrophobicContact CG2-CD2 4.17Å; I619-Y621 HydrophobicContact CG2-CE2 3.6Å; I619-Y621 WeakPolarHBondContact O-CD2 3.23Å
620	L	90.6	Very high	87.5	Confident	56 Å²	56	78.9 Å²	78.9	29%	0.293	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	126	175.8	-173.4	66.7	0	0	0	110.3	V572 P613 R615	V572-L620 HydrophobicContact CB-CB 4.37Å; V572-L620 HydrophobicContact CB-CD2 4.3Å; V572-L620 HydrophobicContact CB-CG 4.35Å; V572-L620 HydrophobicContact CG1-CD2 4.31Å; V572-L620 HydrophobicContact CG2-CB 4.19Å; V572-L620 HydrophobicContact CG2-CD2 3.87Å; V572-L620 HydrophobicContact CG2-CG 3.72Å; V572-L620 WeakPolarHBondContact CG2-O 3.27Å; V572-L620 PolarHBondContact N-O 3.43Å; P613-L620 HydrophobicContact CB-CD1 4.25Å; R615-L620 HydrophobicContact CG-CD1 4.06Å
621	Y	91.8	Very high	87.5	Confident	61 Å²	61	83.8 Å²	83.8	24%	0.239	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	156.3	173.8	-69.5	-93.9	0	0	0	110	L570 P613 Y614 R616 I619	L570-Y621 CarbonylContact O-C 3.6Å; L570-Y621 VanDerWaalsContact O-CA 3.23Å; L570-Y621 WeakPolarHBondContact O-CA 3.42Å; P613-Y621 CarbonylContact C-O 3.51Å; P613-Y621 WeakPolarHBondContact CA-O 3.42Å; Y614-Y621 VanDerWaalsContact CE1-CB 3.49Å; Y614-Y621 HydrophobicContact CE2-CD2 4.33Å; Y614-Y621 HydrophobicContact CE2-CG 4.26Å; Y614-Y621 AromaticContact CZ-CG 3.98Å; Y614-Y621 PolarHBondContact N-O 3.49Å; Y614-Y621 PolarHBondContact O-N 3.16Å; Y614-Y621 VanDerWaalsContact O-O 3.09Å; R616-Y621 HydrophobicContact CB-CD2 4.06Å; R616-Y621 HydrophobicContact CB-CE2 3.99Å; I619-Y621 HydrophobicContact CB-CD2 4.39Å; I619-Y621 HydrophobicContact CB-CE2 3.71Å; I619-Y621 HydrophobicContact CG2-CD2 4.17Å; I619-Y621 HydrophobicContact CG2-CE2 3.6Å; I619-Y621 WeakPolarHBondContact O-CD2 3.23Å
622	C	91.4	Very high	87.3	Confident	4 Å²	4	89 Å²	89	3%	0.027	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.3	169.3	-67.9	0	0	0	0	108.8	L570 V572 W575 I611	L570-C622 PolarHBondContact N-O 2.94Å; L570-C622 PolarHBondContact O-N 3.15Å; V572-C622 VanDerWaalsContact CG2-SG 3.54Å; W575-C622 HydrophobicContact CZ3-CB 4.27Å; I611-C622 HydrophobicContact CB-CB 4.17Å; I611-C622 HydrophobicContact CD1-CB 4.32Å; I611-C622 HydrophobicContact CG2-CB 4.41Å
623	K	89.3	Confident	86.9	Confident	109 Å²	109	91.7 Å²	91.7	47%	0.474	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	134.4	171.2	-172	-179.2	175.9	-177.4	0	109.4	D568 I611 S612 Y614	D568-K623 CarbonylContact O-C 3.52Å; D568-K623 VanDerWaalsContact O-CA 3.3Å; D568-K623 WeakPolarHBondContact O-CA 3.35Å; I611-K623 CarbonylContact C-O 3.54Å; I611-K623 VanDerWaalsContact CA-O 3.31Å; I611-K623 WeakPolarHBondContact CA-O 3.09Å; S612-K623 PolarHBondContact N-O 3.2Å; S612-K623 PolarHBondContact O-N 2.88Å; Y614-K623 HydrophobicContact CD1-CB 4.15Å; Y614-K623 HydrophobicContact CE1-CB 3.95Å
624	K	86.8	Confident	86.6	Confident	34 Å²	34	95.5 Å²	95.5	15%	0.148	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	130.6	169.1	-60	-158.9	-177.9	-175	0	110.1	Y562 H565 V567 D568 L570	Y562-K624 HydrophobicContact CD2-CD 4.38Å; Y562-K624 HydrophobicContact CD2-CG 4.26Å; Y562-K624 HydrophobicContact CE1-CD 4.43Å; Y562-K624 HydrophobicContact CE2-CB 3.99Å; Y562-K624 HydrophobicContact CE2-CD 3.76Å; Y562-K624 HydrophobicContact CE2-CG 3.49Å; Y562-K624 VanDerWaalsContact CE2-CG 3.49Å; Y562-K624 VanDerWaalsContact O-CE 3.22Å; Y562-K624 WeakPolarHBondContact O-CE 3.31Å; Y562-K624 PolarHBondContact O-NZ 3.39Å; Y562-K624 WeakPolarHBondContact OH-CB 3.48Å; H565-K624 PolarHBondContact O-NZ 3.36Å; V567-K624 WeakPolarHBondContact O-CE 3.49Å; D568-K624 PolarHBondContact O-N 2.91Å; L570-K624 HydrophobicContact CD1-CD 4.29Å; L570-K624 HydrophobicContact CD1-CG 3.69Å
625	M	80.2	Confident	86.1	Confident	105 Å²	105	97 Å²	97	52%	0.517	47%	0.474	S	S	.	.			trans	-104.9	-6.5	-179.8	-64.9	-65.2	-73.3	0	0	112.8	G609 I610	G609-M625 VanDerWaalsContact O-CB 3.23Å; G609-M625 WeakPolarHBondContact O-CB 3.35Å; I610-M625 PolarHBondContact O-N 2.93Å; I610-M625 VanDerWaalsContact O-N 3.09Å
626	L	68.6	Low	85.7	Confident	126 Å²	126	87.6 Å²	87.6	66%	0.66	45%	0.449	S	S	*	.			trans	-136.3	0	-169.8	-63.4	171.8	0	0	0	112.1	W540 Y562 I610	W540-L626 HydrophobicContact CD2-CD1 4.09Å; W540-L626 HydrophobicContact CE3-CD1 3.36Å; W540-L626 HydrophobicContact CE3-CG 4.44Å; W540-L626 HydrophobicContact CH2-CB 3.92Å; W540-L626 HydrophobicContact CH2-CD1 3.64Å; W540-L626 HydrophobicContact CH2-CG 4.43Å; W540-L626 HydrophobicContact CZ2-CB 4.05Å; W540-L626 HydrophobicContact CZ2-CD1 4.37Å; W540-L626 HydrophobicContact CZ3-CB 4.26Å; W540-L626 HydrophobicContact CZ3-CD1 3.12Å; W540-L626 HydrophobicContact CZ3-CG 4.28Å; Y562-L626 PolarHBondContact OH-O 3.24Å; Y562-L626 VanDerWaalsContact OH-O 3.13Å; I610-L626 HydrophobicContact CB-CD1 4.39Å; I610-L626 HydrophobicContact CG1-CD1 4.1Å

Retrieved 626 of 626 residues in 697.5 ms (Link to these results)

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