A0A087XU47_POEFO Loading...

Cap binding complex dependent translation initiation factor

AlphaFold DB , UniProt , Accession A0A087XU47, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 708 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	33.5	Very low	35.4	Very low	225 Å²	225	129.2 Å²	129.2	100%	1.108	82%	0.819	S	S	*	*				0	136.8	0	-79.1	131.3	151.9	0	0	108.4
2	E	36.3	Very low	36	Very low	159 Å²	159	134.3 Å²	134.3	74%	0.743	83%	0.825	S	S	*	*			trans	51.4	115.6	141.1	-64.4	170.5	111.9	0	0	122.4
3	N	40	Very low	35.8	Very low	131 Å²	131	131.7 Å²	131.7	70%	0.701	83%	0.825	S	S	*	*				72.5	81.5	118.6	-50.6	-11.1	0	0	0	121.4
4	S	38.5	Very low	35.7	Very low	103 Å²	103	127.6 Å²	127.6	72%	0.72	82%	0.821	S	S	*	*				44.9	143.6	113	66.3	0	0	0	0	123.9
5	S	40.4	Very low	35.7	Very low	114 Å²	114	126.9 Å²	126.9	80%	0.797	82%	0.821	S	S	*	*			trans	80.5	138.5	145.2	-68	0	0	0	0	118.6
6	V	36.1	Very low	36.4	Very low	137 Å²	137	127.2 Å²	127.2	83%	0.83	82%	0.82	S	S	*	*			cis	-140.3	155.8	-7.6	-166.5	0	0	0	0	108.5
7	A	34.3	Very low	36.8	Very low	93 Å²	93	128.1 Å²	128.1	77%	0.769	80%	0.803	S	S	*	*			trans	-101.3	138.7	169.4	0	0	0	0	0	112.3
8	S	31	Very low	38.1	Very low	127 Å²	127	123.8 Å²	123.8	89%	0.888	78%	0.779	S	S	*	*			trans	-93.1	131.8	172.6	-61	0	0	0	0	110.9
9	A	33.3	Very low	38.4	Very low	100 Å²	100	124.4 Å²	124.4	83%	0.826	77%	0.771	S	S	*	*			trans	-124.2	124.3	172.2	0	0	0	0	0	110.1
10	S	32.3	Very low	38.8	Very low	120 Å²	120	125.7 Å²	125.7	84%	0.839	77%	0.767	S	S	*	*			trans	-106.1	130.7	168	-59.7	0	0	0	0	108.7
11	S	33.8	Very low	39.5	Very low	112 Å²	112	123.5 Å²	123.5	78%	0.783	75%	0.75	S	S	*	*			trans	-154.5	158.8	173.3	-62.9	0	0	0	0	109.1
12	E	42.3	Very low	40.6	Very low	191 Å²	191	115.7 Å²	115.7	89%	0.893	71%	0.711	S	S	*	*			trans	-63.7	143.5	-166.9	-59.9	111.7	104.2	0	0	114.8
13	A	33.3	Very low	41.3	Very low	100 Å²	100	112.9 Å²	112.9	83%	0.826	70%	0.698	S	S	*	*			trans	-108.1	111.1	158.4	0	0	0	0	0	108.4	S15	A13-S15 PolarHBondContact O-N 3.31Å
14	G	34.7	Very low	41.6	Very low	74 Å²	74	112.1 Å²	112.1	76%	0.763	69%	0.693	S	S	*	*			trans	-67	126.5	170.8	0	0	0	0	0	110.2	T16	G14-T16 PolarHBondContact O-N 3.44Å
15	S	35.6	Very low	42.5	Very low	118 Å²	118	110.9 Å²	110.9	83%	0.825	68%	0.676	S	S	*	*			trans	-69.6	120	-178.3	-172.4	0	0	0	0	111.3	A13 R17	A13-S15 PolarHBondContact O-N 3.31Å; S15-R17 VanDerWaalsContact C-N 3.33Å; S15-R17 PolarHBondContact O-N 3.14Å
16	T	47.8	Very low	43.4	Very low	131 Å²	131	111.4 Å²	111.4	80%	0.804	66%	0.661	S	S	*	*			trans	-75	86.6	167.6	50.6	0	0	0	0	109.1	G14 S18	G14-T16 PolarHBondContact O-N 3.44Å; T16-S18 PolarHBondContact O-N 3.03Å; T16-S18 VanDerWaalsContact O-N 3.14Å
17	R	43.3	Very low	43.9	Very low	142 Å²	142	111.1 Å²	111.1	54%	0.536	65%	0.648	S	S	.	*			trans	-52.3	115.6	171.5	-175.1	-171.1	-170.2	-166.7	13.6	109.1	S15 E22 E25	S15-R17 VanDerWaalsContact C-N 3.33Å; S15-R17 PolarHBondContact O-N 3.14Å; R17-E22 HydrophobicContact CG-CG 4.41Å; R17-E22 IonicContact CZ-OE1 3.84Å; R17-E22 IonicContact NE-OE1 3.93Å; R17-E22 IonicContact NH1-OE1 3.93Å; R17-E22 PolarHBondContact NH1-OE1 2.64Å; R17-E25 IonicContact CZ-OE2 3.44Å; R17-E25 IonicContact NE-OE2 3.2Å; R17-E25 PolarHBondContact NE-OE2 3.38Å; R17-E25 IonicContact NH2-OE2 2.72Å; R17-E25 PolarHBondContact NH2-OE2 2.95Å
18	S	58.5	Low	45.5	Very low	52 Å²	52	110.8 Å²	110.8	36%	0.364	63%	0.633	S	S	.	*			trans	-63.2	138.3	180	-59.7	0	0	0	0	110.9	T16 E20 I21 E22	T16-S18 PolarHBondContact O-N 3.03Å; T16-S18 VanDerWaalsContact O-N 3.14Å; S18-E20 PolarHBondContact O-N 3.49Å; S18-I21 WeakPolarHBondContact O-CB 3.26Å; S18-I21 PolarHBondContact O-N 3.44Å; S18-E22 PolarHBondContact O-N 2.73Å
19	Q	43.8	Very low	46.5	Very low	134 Å²	134	109.5 Å²	109.5	63%	0.626	62%	0.616	S	S	*	*	H	α-helix	trans	-59.7	-30.7	175.7	-171.9	177	-33.2	0	0	112	I21 E22 E23	Q19-I21 VanDerWaalsContact C-N 3.26Å; Q19-I21 PolarHBondContact O-N 2.91Å; Q19-E22 PolarHBondContact O-N 3.31Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.21Å; Q19-E23 PolarHBondContact NE2-OE1 2.92Å; Q19-E23 WeakPolarHBondContact O-CG 3.36Å; Q19-E23 PolarHBondContact O-N 3.48Å
20	E	47	Very low	47.2	Very low	150 Å²	150	108.1 Å²	108.1	70%	0.701	60%	0.6	S	S	*	*	H	α-helix	trans	-54.9	-38.1	171.1	-59.6	163.8	155.3	0	0	112.7	S18 E23 L24	S18-E20 PolarHBondContact O-N 3.49Å; E20-E23 PolarHBondContact O-N 2.88Å; E20-L24 PolarHBondContact O-N 3.37Å
21	I	53	Low	47.7	Very low	80 Å²	80	108.1 Å²	108.1	41%	0.41	58%	0.583	S	S	.	*	H	α-helix	trans	-73.1	-41.7	178.9	-62.6	169	0	0	0	109.6	S18 Q19 E23 L24 E25	S18-I21 WeakPolarHBondContact O-CB 3.26Å; S18-I21 PolarHBondContact O-N 3.44Å; Q19-I21 VanDerWaalsContact C-N 3.26Å; Q19-I21 PolarHBondContact O-N 2.91Å; I21-E23 VanDerWaalsContact C-N 3.27Å; I21-E23 PolarHBondContact O-N 2.91Å; I21-L24 PolarHBondContact O-N 3.35Å; I21-E25 HydrophobicContact CG2-CG 4.27Å; I21-E25 WeakPolarHBondContact O-CB 3.48Å; I21-E25 VanDerWaalsContact O-CG 3.27Å; I21-E25 WeakPolarHBondContact O-CG 3.44Å; I21-E25 PolarHBondContact O-N 2.87Å
22	E	57.6	Low	49	Very low	61 Å²	61	106.2 Å²	106.2	29%	0.285	57%	0.566	S	S	.	*	H	α-helix	trans	-64.9	-31.1	174.8	-63.6	-158.2	164.7	0	0	113.3	R17 S18 Q19 R26	R17-E22 HydrophobicContact CG-CG 4.41Å; R17-E22 IonicContact CZ-OE1 3.84Å; R17-E22 IonicContact NE-OE1 3.93Å; R17-E22 IonicContact NH1-OE1 3.93Å; R17-E22 PolarHBondContact NH1-OE1 2.64Å; S18-E22 PolarHBondContact O-N 2.73Å; Q19-E22 PolarHBondContact O-N 3.31Å; E22-R26 VanDerWaalsContact O-CB 3.26Å; E22-R26 WeakPolarHBondContact O-CB 3.41Å; E22-R26 WeakPolarHBondContact O-CG 3.46Å; E22-R26 PolarHBondContact O-N 3.22Å; E22-R26 PolarHBondContact O-NE 2.91Å; E22-R26 IonicContact OE2-CZ 3.4Å; E22-R26 IonicContact OE2-NH1 3.52Å; E22-R26 PolarHBondContact OE2-NH1 3.34Å; E22-R26 IonicContact OE2-NH2 2.64Å
23	E	51.2	Low	49.4	Very low	100 Å²	100	102.3 Å²	102.3	47%	0.467	55%	0.551	S	S	.	*	H	α-helix	trans	-76.6	-34.3	177	-71.3	175.3	-165.8	0	0	111.5	Q19 E20 I21 R26 F27	Q19-E23 WeakPolarHBondContact CG-OE1 3.21Å; Q19-E23 PolarHBondContact NE2-OE1 2.92Å; Q19-E23 WeakPolarHBondContact O-CG 3.36Å; Q19-E23 PolarHBondContact O-N 3.48Å; E20-E23 PolarHBondContact O-N 2.88Å; I21-E23 VanDerWaalsContact C-N 3.27Å; I21-E23 PolarHBondContact O-N 2.91Å; E23-R26 IonicContact OE1-NH2 3.49Å; E23-F27 WeakPolarHBondContact O-CB 3.2Å; E23-F27 PolarHBondContact O-N 3.48Å
24	L	46.1	Very low	50.1	Low	115 Å²	115	103.2 Å²	103.2	60%	0.602	54%	0.538	S	S	*	.	H	α-helix	trans	-66	-46.2	170	-143	80.6	0	0	0	111.9	E20 I21 F27 I28	E20-L24 PolarHBondContact O-N 3.37Å; I21-L24 PolarHBondContact O-N 3.35Å; L24-F27 PolarHBondContact O-N 2.85Å; L24-I28 HydrophobicContact CG-CD1 4.48Å; L24-I28 VanDerWaalsContact O-CG1 3.31Å; L24-I28 WeakPolarHBondContact O-CG1 3.39Å; L24-I28 PolarHBondContact O-N 3.41Å
25	E	57.3	Low	50.8	Low	78 Å²	78	108 Å²	108	36%	0.364	53%	0.534	S	S	.	.	H	α-helix	trans	-63.4	-44.4	177.3	-71.8	169.4	153.5	0	0	110.8	R17 I21 F27 I28 D29	R17-E25 IonicContact CZ-OE2 3.44Å; R17-E25 IonicContact NE-OE2 3.2Å; R17-E25 PolarHBondContact NE-OE2 3.38Å; R17-E25 IonicContact NH2-OE2 2.72Å; R17-E25 PolarHBondContact NH2-OE2 2.95Å; I21-E25 HydrophobicContact CG2-CG 4.27Å; I21-E25 WeakPolarHBondContact O-CB 3.48Å; I21-E25 VanDerWaalsContact O-CG 3.27Å; I21-E25 WeakPolarHBondContact O-CG 3.44Å; I21-E25 PolarHBondContact O-N 2.87Å; E25-F27 VanDerWaalsContact C-N 3.31Å; E25-F27 PolarHBondContact O-N 3.3Å; E25-I28 PolarHBondContact O-N 3.22Å; E25-D29 WeakPolarHBondContact O-CB 3.37Å; E25-D29 PolarHBondContact O-N 3.15Å
26	R	59	Low	51.3	Low	125 Å²	125	108 Å²	108	47%	0.472	52%	0.521	S	S	.	.	H	α-helix	trans	-61.5	-34.6	173.2	-78.1	-173.4	-68.6	-100.3	7.2	113.2	E22 E23 S30	E22-R26 VanDerWaalsContact O-CB 3.26Å; E22-R26 WeakPolarHBondContact O-CB 3.41Å; E22-R26 WeakPolarHBondContact O-CG 3.46Å; E22-R26 PolarHBondContact O-N 3.22Å; E22-R26 PolarHBondContact O-NE 2.91Å; E22-R26 IonicContact OE2-CZ 3.4Å; E22-R26 IonicContact OE2-NH1 3.52Å; E22-R26 PolarHBondContact OE2-NH1 3.34Å; E22-R26 IonicContact OE2-NH2 2.64Å; E23-R26 IonicContact OE1-NH2 3.49Å; R26-S30 VanDerWaalsContact O-CB 3.31Å; R26-S30 WeakPolarHBondContact O-CB 3.45Å; R26-S30 PolarHBondContact O-N 3.36Å
27	F	47.6	Very low	51.3	Low	131 Å²	131	106.4 Å²	106.4	58%	0.575	51%	0.511	S	S	*	.	H	α-helix	trans	-70.7	-42.8	176.4	-178.2	-99.4	0	0	0	111.9	E23 L24 E25 S30 Y31	E23-F27 WeakPolarHBondContact O-CB 3.2Å; E23-F27 PolarHBondContact O-N 3.48Å; L24-F27 PolarHBondContact O-N 2.85Å; E25-F27 VanDerWaalsContact C-N 3.31Å; E25-F27 PolarHBondContact O-N 3.3Å; F27-S30 WeakPolarHBondContact O-CB 3.27Å; F27-S30 PolarHBondContact O-N 3.23Å; F27-Y31 HydrophobicContact CE1-CD2 4.13Å; F27-Y31 HydrophobicContact CE1-CE2 4.31Å; F27-Y31 HydrophobicContact CE2-CD2 4.27Å; F27-Y31 HydrophobicContact CE2-CE2 4.17Å; F27-Y31 AromaticContact CZ-CD2 3.88Å; F27-Y31 HydrophobicContact CZ-CD2 3.88Å; F27-Y31 AromaticContact CZ-CE2 3.7Å; F27-Y31 HydrophobicContact CZ-CE2 3.7Å; F27-Y31 PolarHBondContact O-N 3.02Å; F27-Y31 VanDerWaalsContact O-N 3.09Å
28	I	66.3	Low	51.5	Low	86 Å²	86	106.2 Å²	106.2	44%	0.441	52%	0.516	S	S	.	.	H	α-helix	trans	-64.4	-48.4	175.7	-67.7	164	0	0	0	110.5	L24 E25 S30 Y31 V32	L24-I28 HydrophobicContact CG-CD1 4.48Å; L24-I28 VanDerWaalsContact O-CG1 3.31Å; L24-I28 WeakPolarHBondContact O-CG1 3.39Å; L24-I28 PolarHBondContact O-N 3.41Å; E25-I28 PolarHBondContact O-N 3.22Å; I28-S30 VanDerWaalsContact C-N 3.27Å; I28-S30 PolarHBondContact O-N 2.83Å; I28-Y31 PolarHBondContact O-N 3.33Å; I28-Y31 VanDerWaalsContact O-N 3.15Å; I28-V32 HydrophobicContact CG2-CG2 4.3Å; I28-V32 WeakPolarHBondContact O-CG2 3.42Å; I28-V32 PolarHBondContact O-N 2.88Å
29	D	52.8	Low	50.9	Low	99 Å²	99	105.9 Å²	105.9	53%	0.529	52%	0.521	S	S	.	.	H	α-helix	trans	-59.6	-37.3	177	-75.3	-18.1	0	0	0	111.8	E25 V32 L33	E25-D29 WeakPolarHBondContact O-CB 3.37Å; E25-D29 PolarHBondContact O-N 3.15Å; D29-V32 PolarHBondContact O-N 3.29Å; D29-L33 WeakPolarHBondContact O-CB 3.34Å; D29-L33 PolarHBondContact O-N 2.94Å
30	S	47.7	Very low	50.9	Low	71 Å²	71	106.1 Å²	106.1	50%	0.497	53%	0.525	S	S	.	.	H	α-helix	trans	-62.8	-46.4	174.4	-170.8	0	0	0	0	112.1	R26 F27 I28 L33 E34	R26-S30 VanDerWaalsContact O-CB 3.31Å; R26-S30 WeakPolarHBondContact O-CB 3.45Å; R26-S30 PolarHBondContact O-N 3.36Å; F27-S30 WeakPolarHBondContact O-CB 3.27Å; F27-S30 PolarHBondContact O-N 3.23Å; I28-S30 VanDerWaalsContact C-N 3.27Å; I28-S30 PolarHBondContact O-N 2.83Å; S30-L33 PolarHBondContact O-N 3.01Å; S30-E34 PolarHBondContact O-N 2.96Å
31	Y	43.7	Very low	50.7	Low	121 Å²	121	106.5 Å²	106.5	48%	0.475	53%	0.531	S	S	.	.	H	α-helix	trans	-66.2	-38.9	177.6	-111.6	-95.8	0	0	0	112.2	F27 I28 E34 Y35	F27-Y31 HydrophobicContact CE1-CD2 4.13Å; F27-Y31 HydrophobicContact CE1-CE2 4.31Å; F27-Y31 HydrophobicContact CE2-CD2 4.27Å; F27-Y31 HydrophobicContact CE2-CE2 4.17Å; F27-Y31 AromaticContact CZ-CD2 3.88Å; F27-Y31 HydrophobicContact CZ-CD2 3.88Å; F27-Y31 AromaticContact CZ-CE2 3.7Å; F27-Y31 HydrophobicContact CZ-CE2 3.7Å; F27-Y31 PolarHBondContact O-N 3.02Å; F27-Y31 VanDerWaalsContact O-N 3.09Å; I28-Y31 PolarHBondContact O-N 3.33Å; I28-Y31 VanDerWaalsContact O-N 3.15Å; Y31-E34 PolarHBondContact O-N 3.18Å; Y31-Y35 HydrophobicContact CD1-CD2 4.37Å; Y31-Y35 HydrophobicContact CD1-CE2 4.2Å; Y31-Y35 HydrophobicContact CE1-CE2 4.44Å; Y31-Y35 WeakPolarHBondContact O-CD2 3.37Å; Y31-Y35 PolarHBondContact O-N 3Å
32	V	60	Low	50.3	Low	72 Å²	72	105.7 Å²	105.7	44%	0.436	54%	0.543	S	S	.	.	H	α-helix	trans	-67.4	-38.7	177	171.6	0	0	0	0	111.3	I28 D29 Q36	I28-V32 HydrophobicContact CG2-CG2 4.3Å; I28-V32 WeakPolarHBondContact O-CG2 3.42Å; I28-V32 PolarHBondContact O-N 2.88Å; D29-V32 PolarHBondContact O-N 3.29Å; V32-Q36 WeakPolarHBondContact O-CB 3.38Å; V32-Q36 WeakPolarHBondContact O-CG 3.48Å; V32-Q36 PolarHBondContact O-N 2.92Å
33	L	50.5	Low	49.4	Very low	109 Å²	109	109.9 Å²	109.9	57%	0.571	57%	0.567	S	S	*	*	H	α-helix	trans	-63.2	-44	172.7	-112.5	73	0	0	0	111.9	D29 S30 Q36 V37	D29-L33 WeakPolarHBondContact O-CB 3.34Å; D29-L33 PolarHBondContact O-N 2.94Å; S30-L33 PolarHBondContact O-N 3.01Å; L33-Q36 PolarHBondContact O-N 3.48Å; L33-V37 WeakPolarHBondContact O-CG2 3.31Å; L33-V37 PolarHBondContact O-N 3.02Å
34	E	49.5	Very low	48.5	Very low	119 Å²	119	114.6 Å²	114.6	56%	0.556	59%	0.586	S	S	*	*	H	α-helix	trans	-62.2	-45.3	179.3	-168.4	163.1	-151.6	0	0	111	S30 Y31 Q36 V37 Q38	S30-E34 PolarHBondContact O-N 2.96Å; Y31-E34 PolarHBondContact O-N 3.18Å; E34-Q36 PolarHBondContact O-N 3.46Å; E34-V37 PolarHBondContact O-N 3.38Å; E34-Q38 WeakPolarHBondContact O-CB 3.49Å; E34-Q38 PolarHBondContact O-N 3.06Å
35	Y	48.6	Very low	48.1	Very low	175 Å²	175	114.5 Å²	114.5	69%	0.686	59%	0.592	S	S	*	*	H	α-helix	trans	-64.6	-34.7	173.1	-93	-94.2	0	0	0	113.8	Y31 G39	Y31-Y35 HydrophobicContact CD1-CD2 4.37Å; Y31-Y35 HydrophobicContact CD1-CE2 4.2Å; Y31-Y35 HydrophobicContact CE1-CE2 4.44Å; Y31-Y35 WeakPolarHBondContact O-CD2 3.37Å; Y31-Y35 PolarHBondContact O-N 3Å; Y35-G39 PolarHBondContact O-N 3.22Å
36	Q	46.5	Very low	46.9	Very low	118 Å²	118	118.4 Å²	118.4	55%	0.551	62%	0.616	S	S	*	*	H	α-helix	trans	-68.9	-40.1	173.6	-80.7	-170.9	-26.1	0	0	112.3	V32 L33 E34 G39 I40	V32-Q36 WeakPolarHBondContact O-CB 3.38Å; V32-Q36 WeakPolarHBondContact O-CG 3.48Å; V32-Q36 PolarHBondContact O-N 2.92Å; L33-Q36 PolarHBondContact O-N 3.48Å; E34-Q36 PolarHBondContact O-N 3.46Å; Q36-G39 PolarHBondContact O-N 2.9Å; Q36-I40 WeakPolarHBondContact O-CB 3.48Å; Q36-I40 WeakPolarHBondContact O-CD1 3.5Å; Q36-I40 WeakPolarHBondContact O-CG1 3.31Å; Q36-I40 PolarHBondContact O-N 3.39Å
37	V	47.7	Very low	45.7	Very low	96 Å²	96	116.1 Å²	116.1	58%	0.582	63%	0.631	S	S	*	*	H	α-helix	trans	-64	-41.9	175.1	170.1	0	0	0	0	110.7	L33 E34 L41	L33-V37 WeakPolarHBondContact O-CG2 3.31Å; L33-V37 PolarHBondContact O-N 3.02Å; E34-V37 PolarHBondContact O-N 3.38Å; V37-L41 PolarHBondContact O-N 3.05Å
38	Q	47.2	Very low	44.7	Very low	138 Å²	138	117.7 Å²	117.7	65%	0.645	65%	0.645	S	S	*	*	H	α-helix	trans	-65.2	-41.6	175.3	-138.6	71.3	3.4	0	0	112	E34 L41	E34-Q38 WeakPolarHBondContact O-CB 3.49Å; E34-Q38 PolarHBondContact O-N 3.06Å; Q38-L41 PolarHBondContact O-N 2.94Å
39	G	46.2	Very low	43.2	Very low	46 Å²	46	118.6 Å²	118.6	47%	0.474	65%	0.654	S	S	.	*	H	α-helix	trans	-67.9	-40.1	179.2	0	0	0	0	0	113.9	Y35 Q36 L41 G42	Y35-G39 PolarHBondContact O-N 3.22Å; Q36-G39 PolarHBondContact O-N 2.9Å; G39-L41 PolarHBondContact O-N 3.43Å; G39-G42 PolarHBondContact O-N 3.09Å
40	I	43.7	Very low	42	Very low	139 Å²	139	121.9 Å²	121.9	71%	0.713	67%	0.672	S	S	*	*	H	α-helix	trans	-63.4	-23.7	176.9	-72.1	164.8	0	0	0	111.9	Q36	Q36-I40 WeakPolarHBondContact O-CB 3.48Å; Q36-I40 WeakPolarHBondContact O-CD1 3.5Å; Q36-I40 WeakPolarHBondContact O-CG1 3.31Å; Q36-I40 PolarHBondContact O-N 3.39Å
41	L	43	Very low	41.5	Very low	158 Å²	158	125.3 Å²	125.3	83%	0.827	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-6.4	175.4	-141.4	73.7	0	0	0	113.9	V37 Q38 G39	V37-L41 PolarHBondContact O-N 3.05Å; Q38-L41 PolarHBondContact O-N 2.94Å; G39-L41 PolarHBondContact O-N 3.43Å
42	G	45.1	Very low	40.8	Very low	63 Å²	63	127.6 Å²	127.6	65%	0.649	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-28	-177	0	0	0	0	0	115.5	G39	G39-G42 PolarHBondContact O-N 3.09Å
43	D	36.9	Very low	39.3	Very low	148 Å²	148	130.2 Å²	130.2	79%	0.791	72%	0.716	S	S	*	*			trans	-104.1	92.2	-169.9	-102.6	-28.7	0	0	0	113.6
44	K	33.4	Very low	38.2	Very low	199 Å²	199	132.7 Å²	132.7	87%	0.865	73%	0.73	S	S	*	*			trans	-147.2	113.5	151.1	-85.7	-160.5	176.5	-179.3	0	111.2
45	P	36.5	Very low	37	Very low	113 Å²	113	129.7 Å²	129.7	73%	0.734	73%	0.73	S	S	*	*			trans	-82.1	166.7	172.7	34.5	-35.2	0	0	0	112.7
46	D	34.1	Very low	35.9	Very low	161 Å²	161	130.6 Å²	130.6	86%	0.861	74%	0.738	S	S	*	*			trans	-6	143.2	159.2	-41.4	-38.4	0	0	0	118
47	G	32	Very low	34.8	Very low	76 Å²	76	133 Å²	133	78%	0.784	75%	0.749	S	S	*	*			cis	132.9	143.9	9.5	0	0	0	0	0	109.8
48	D	27.3	Very low	34.1	Very low	164 Å²	164	134.7 Å²	134.7	88%	0.877	76%	0.762	S	S	*	*			trans	-151.1	161.3	168.1	-151.6	-5.2	0	0	0	110.8
49	V	34.3	Very low	33	Very low	105 Å²	105	134.8 Å²	134.8	64%	0.636	76%	0.763	S	S	*	*			trans	-123.4	140.7	-163.8	-178.7	0	0	0	0	110.4	L51	V49-L51 HydrophobicContact CG1-CG 4.18Å
50	D	29.1	Very low	31.9	Very low	169 Å²	169	143.6 Å²	143.6	90%	0.904	78%	0.782	S	S	*	*			trans	-144.3	145.4	139.6	-119.4	-29.6	0	0	0	110.8
51	L	36.8	Very low	31	Very low	143 Å²	143	142.9 Å²	142.9	75%	0.749	78%	0.784	S	S	*	*			trans	-114.1	148.4	-175.6	-73.3	161.4	0	0	0	109.2	V49	V49-L51 HydrophobicContact CG1-CG 4.18Å
52	D	28.6	Very low	30.3	Very low	168 Å²	168	142.2 Å²	142.2	90%	0.898	78%	0.781	S	S	*	*				-155.8	165.5	121.7	-125.6	-34.2	0	0	0	113
53	N	29.3	Very low	29.4	Very low	127 Å²	127	146.2 Å²	146.2	68%	0.679	79%	0.788	S	S	*	*			trans	-125.5	130.5	-157.2	155.4	101.1	0	0	0	114.4
54	D	25.6	Very low	29	Very low	162 Å²	162	143.9 Å²	143.9	87%	0.866	78%	0.782	S	S	*	*			trans	-175.7	146.9	140.2	-114.8	-44.9	0	0	0	109.4
55	G	25.1	Very low	28.8	Very low	55 Å²	55	142.1 Å²	142.1	57%	0.567	78%	0.78	S	S	*	*			cis	178	126	-8.7	0	0	0	0	0	112.9
56	K	25.8	Very low	28.4	Very low	195 Å²	195	144 Å²	144	85%	0.848	79%	0.785	S	S	*	*			trans	55.9	128.3	163.6	-66.1	-173.7	177.3	-177	0	121.9
57	E	23.5	Very low	28.2	Very low	167 Å²	167	145.7 Å²	145.7	78%	0.78	79%	0.787	S	S	*	*			trans	36.8	140.7	131.5	-75.2	-177.7	128.4	0	0	121.6
58	P	33.2	Very low	27.9	Very low	133 Å²	133	152.9 Å²	152.9	86%	0.864	79%	0.791	S	S	*	*				-145.4	-161.4	52.3	42.6	-22.6	0	0	0	116.6
59	Q	23.2	Very low	28.1	Very low	139 Å²	139	151.8 Å²	151.8	65%	0.65	79%	0.785	S	S	*	*			trans	-123.2	144.2	-164.3	164.6	-175.1	-17.2	0	0	112
60	W	23.6	Very low	27.7	Very low	231 Å²	231	150.4 Å²	150.4	88%	0.875	79%	0.792	S	S	*	*			trans	70	160	173.5	-63.8	0.7	0	0	0	115.1
61	T	24.3	Very low	27.6	Very low	124 Å²	124	147.2 Å²	147.2	76%	0.761	78%	0.783	S	S	*	*			cis	-133.8	175.2	20.6	55	0	0	0	0	115.1
62	D	28.6	Very low	27.1	Very low	144 Å²	144	151.8 Å²	151.8	77%	0.77	79%	0.79	S	S	*	*			trans	-51.9	164.8	157.1	-62.3	-95.2	0	0	0	114.6
63	D	26.3	Very low	27	Very low	148 Å²	148	149.5 Å²	149.5	79%	0.791	78%	0.783	S	S	*	*				169.3	155.3	125.4	-98.5	-24	0	0	0	112.1
64	C	29.6	Very low	26.8	Very low	99 Å²	99	148.9 Å²	148.9	67%	0.669	79%	0.788	S	S	*	*			cis	-166.6	156.5	-21	-146.4	0	0	0	0	109.1
65	I	28.2	Very low	27	Very low	161 Å²	161	145.1 Å²	145.1	83%	0.826	78%	0.775	S	S	*	*			trans	-139.8	103	148.4	-57.9	-176.3	0	0	0	110.5
66	N	28.8	Very low	27.1	Very low	154 Å²	154	151.8 Å²	151.8	82%	0.824	79%	0.791	S	S	*	*			trans	-158	132.8	146.5	-97.5	-50.9	0	0	0	107.9
67	Q	28.5	Very low	27.2	Very low	196 Å²	196	145.7 Å²	145.7	92%	0.916	78%	0.783	S	S	*	*			trans	-146.5	117	175.5	-89.4	-163.6	28.8	0	0	112.6
68	R	27.1	Very low	27.4	Very low	226 Å²	226	150.2 Å²	150.2	85%	0.853	79%	0.793	S	S	*	*			trans	-177.7	139.4	143.1	-93.4	-156.8	-172.2	-166.2	2.1	106.7
69	D	30.3	Very low	27.1	Very low	141 Å²	141	147.2 Å²	147.2	75%	0.754	79%	0.787	S	S	*	*			cis	-137.9	154.9	-2.1	-76.4	-60.2	0	0	0	108.4
70	G	26.4	Very low	27.3	Very low	76 Å²	76	146.7 Å²	146.7	78%	0.784	80%	0.798	S	S	*	*			trans	-179.8	42.7	-173.7	0	0	0	0	0	122.5
71	S	26.3	Very low	27.5	Very low	103 Å²	103	140.8 Å²	140.8	72%	0.72	79%	0.793	S	S	*	*			trans	57.4	115.3	151.9	-174.6	0	0	0	0	122.5
72	W	26.5	Very low	27.7	Very low	238 Å²	238	143.9 Å²	143.9	90%	0.902	80%	0.796	S	S	*	*			trans	33.8	125.3	137.4	-55.6	85.7	0	0	0	119.9
73	T	26.3	Very low	27.5	Very low	120 Å²	120	145.6 Å²	145.6	74%	0.736	79%	0.791	S	S	*	*				-170.5	161.3	55.1	44.8	0	0	0	0	112.5
74	S	25.5	Very low	27.6	Very low	114 Å²	114	143 Å²	143	80%	0.797	78%	0.777	S	S	*	*			trans	42.2	145.8	149.3	-89.8	0	0	0	0	122.7
75	S	29.3	Very low	27.4	Very low	84 Å²	84	143.9 Å²	143.9	59%	0.587	77%	0.772	S	S	*	*			cis	-175.3	148.5	-7	41.1	0	0	0	0	110.8
76	Q	27.6	Very low	27.3	Very low	195 Å²	195	146 Å²	146	91%	0.911	77%	0.769	S	S	*	*			trans	63.5	143.3	163.5	-62	164.6	-42.8	0	0	117.8
77	G	27.7	Very low	27.2	Very low	66 Å²	66	144.7 Å²	144.7	68%	0.68	76%	0.758	S	S	*	*			cis	157.2	138.4	-12.7	0	0	0	0	0	114.2
78	R	29.2	Very low	27.3	Very low	262 Å²	262	142.5 Å²	142.5	99%	0.989	75%	0.748	S	S	*	*			trans	66.3	150.2	176.5	-57.1	176.5	171.5	-125.9	-0.6	116.3
79	G	26.1	Very low	27.4	Very low	71 Å²	71	136.6 Å²	136.6	73%	0.732	74%	0.741	S	S	*	*			cis	143	133.8	-17.4	0	0	0	0	0	115.9
80	S	28.2	Very low	27.4	Very low	127 Å²	127	134.5 Å²	134.5	89%	0.888	74%	0.738	S	S	*	*			trans	66.1	147.7	171.5	-140.1	0	0	0	0	115.5
81	S	27.2	Very low	27.5	Very low	108 Å²	108	138.8 Å²	138.8	76%	0.755	74%	0.742	S	S	*	*			cis	-163.3	-177.1	36	54.1	0	0	0	0	113.9
82	K	27.6	Very low	27.5	Very low	189 Å²	189	137.1 Å²	137.1	82%	0.822	74%	0.742	S	S	*	*			trans	-83.4	-167.3	165.2	-54.5	-177.4	178.9	-179.2	0	110.1
83	R	24.6	Very low	27.8	Very low	179 Å²	179	131.3 Å²	131.3	68%	0.675	74%	0.738	S	S	*	*			cis	-172.6	174.1	23.5	-145.6	-173.6	145.6	-122.6	-10.2	110	E85	R83-E85 IonicContact NH1-OE2 2.76Å; R83-E85 IonicContact NH2-OE2 2.8Å
84	D	27.6	Very low	28	Very low	94 Å²	94	132.7 Å²	132.7	50%	0.503	75%	0.746	S	S	.	*			trans	69.1	163.3	147.6	-60.7	-23.5	0	0	0	121.9
85	E	25.4	Very low	28.2	Very low	118 Å²	118	130.5 Å²	130.5	55%	0.551	74%	0.742	S	S	*	*			cis	-166.1	154.7	-28.2	-106.8	178.8	128.3	0	0	110.9	R83	R83-E85 IonicContact NH1-OE2 2.76Å; R83-E85 IonicContact NH2-OE2 2.8Å
86	W	27.7	Very low	28.4	Very low	205 Å²	205	132.8 Å²	132.8	78%	0.777	76%	0.758	S	S	*	*			trans	64.7	166.1	151	-65.9	29.6	0	0	0	119.3
87	E	26.7	Very low	28.7	Very low	126 Å²	126	134.9 Å²	134.9	59%	0.589	76%	0.757	S	S	*	*			cis	-161.9	166.8	-36.2	-102.3	-148.8	111	0	0	111.3
88	H	30.6	Very low	29.8	Very low	150 Å²	150	137 Å²	137	69%	0.694	76%	0.759	S	S	*	*			trans	75.9	126.9	147.9	-76.6	13.9	0	0	0	124.3
89	S	28.5	Very low	30.1	Very low	102 Å²	102	130 Å²	130	71%	0.713	75%	0.75	S	S	*	*				96.9	110.7	128.7	-67.5	0	0	0	0	125.8
90	S	30.4	Very low	30.4	Very low	98 Å²	98	132.3 Å²	132.3	69%	0.685	76%	0.755	S	S	*	*				91	125.8	120.2	-62.1	0	0	0	0	125.1
91	N	27.9	Very low	30.4	Very low	165 Å²	165	129.5 Å²	129.5	88%	0.882	75%	0.746	S	S	*	*			trans	65.1	149.4	146.3	-55.7	-13	0	0	0	120.6
92	G	27.5	Very low	30.7	Very low	69 Å²	69	130 Å²	130	71%	0.711	75%	0.749	S	S	*	*			cis	161.3	157.6	-13.4	0	0	0	0	0	116.4
93	S	31.9	Very low	31.1	Very low	116 Å²	116	132.1 Å²	132.1	81%	0.811	75%	0.752	S	S	*	*			trans	84.1	150.5	155.3	-71.7	0	0	0	0	124.7
94	T	32	Very low	32.5	Very low	149 Å²	149	129.1 Å²	129.1	91%	0.914	76%	0.756	S	S	*	*			trans	73.2	141.1	172.8	75	0	0	0	0	117.5
95	G	28.6	Very low	32.5	Very low	68 Å²	68	127.9 Å²	127.9	70%	0.701	77%	0.766	S	S	*	*			cis	164.3	136	-18.9	0	0	0	0	0	115.5
96	S	32.5	Very low	32.9	Very low	132 Å²	132	128.6 Å²	128.6	92%	0.923	78%	0.784	S	S	*	*			trans	163	162.8	131.6	-73.8	0	0	0	0	114.2
97	R	34.7	Very low	32.9	Very low	239 Å²	239	122.8 Å²	122.8	90%	0.902	79%	0.787	S	S	*	*			trans	-147.6	164.8	176.9	-119.7	-175.9	-175.2	-176.2	3.5	106.9
98	P	50.7	Low	33.2	Very low	110 Å²	110	122.4 Å²	122.4	71%	0.714	80%	0.798	S	S	*	*				-155.6	178.3	58.7	42.7	-21.7	0	0	0	118.5
99	S	35.2	Very low	33.1	Very low	114 Å²	114	127.3 Å²	127.3	80%	0.797	81%	0.811	S	S	*	*			trans	46.2	153.1	143.7	-63.6	0	0	0	0	122.8
100	S	33.3	Very low	33.4	Very low	120 Å²	120	128.4 Å²	128.4	84%	0.839	82%	0.819	S	S	*	*			cis	-167.4	164.4	2.5	37.8	0	0	0	0	109.3
101	G	27.5	Very low	33.2	Very low	68 Å²	68	127.8 Å²	127.8	70%	0.701	83%	0.828	S	S	*	*			cis	165.8	166.5	-3.9	0	0	0	0	0	113.1
102	S	33.3	Very low	33.6	Very low	119 Å²	119	125.5 Å²	125.5	83%	0.832	83%	0.825	S	S	*	*			trans	66.1	131.3	168.3	-61.7	0	0	0	0	119.3
103	R	37.2	Very low	33.8	Very low	234 Å²	234	134.4 Å²	134.4	88%	0.883	84%	0.837	S	S	*	*			cis	103.4	157.4	32.3	-89.4	-168.8	173.4	-128.1	1.1	112.8
104	P	52.4	Low	33.7	Very low	116 Å²	116	132.6 Å²	132.6	75%	0.753	84%	0.836	S	S	*	*			cis	-143.6	-175.7	-28.5	41	-22.8	0	0	0	115.6
105	G	29.1	Very low	33.7	Very low	68 Å²	68	137.6 Å²	137.6	70%	0.701	84%	0.838	S	S	*	*			trans	120	122.1	157.4	0	0	0	0	0	114.5
106	S	33.8	Very low	33.8	Very low	133 Å²	133	141.4 Å²	141.4	93%	0.93	84%	0.842	S	S	*	*			cis	97.1	112.7	24	-57.2	0	0	0	0	115
107	G	26.7	Very low	33.7	Very low	82 Å²	82	143 Å²	143	85%	0.845	84%	0.841	S	S	*	*			trans	169.8	109.6	168.9	0	0	0	0	0	115.2
108	S	32.8	Very low	33.6	Very low	119 Å²	119	139.6 Å²	139.6	83%	0.832	84%	0.835	S	S	*	*			trans	-113.1	141.3	173.9	-40	0	0	0	0	110.7
109	R	30.2	Very low	32.6	Very low	252 Å²	252	141.2 Å²	141.2	95%	0.951	84%	0.837	S	S	*	*			trans	-171.1	154.4	146.3	-113.7	166.7	179.4	-158.8	-3.5	115.6
110	S	33.2	Very low	32.5	Very low	126 Å²	126	145.4 Å²	145.4	88%	0.881	84%	0.841	S	S	*	*			trans	-86.4	160.8	178.5	-29.4	0	0	0	0	112.7
111	G	27.3	Very low	32	Very low	85 Å²	85	143.6 Å²	143.6	88%	0.876	84%	0.842	S	S	*	*			trans	-162.6	100.2	170.1	0	0	0	0	0	113.2
112	S	36	Very low	32	Very low	117 Å²	117	146.1 Å²	146.1	82%	0.818	85%	0.848	S	S	*	*			trans	-101.2	136.5	177.5	50.6	0	0	0	0	112.1
113	R	31.8	Very low	32.7	Very low	256 Å²	256	145.8 Å²	145.8	97%	0.966	84%	0.843	S	S	*	*			trans	-169.7	120	160.5	-112.5	165.4	-177.3	176.5	0.9	110.9
114	G	29.5	Very low	32.2	Very low	77 Å²	77	144.7 Å²	144.7	79%	0.794	85%	0.845	S	S	*	*			trans	-99.9	170	170.3	0	0	0	0	0	112.6
115	R	32.2	Very low	31	Very low	254 Å²	254	146.7 Å²	146.7	96%	0.958	85%	0.849	S	S	*	*			trans	-143	134.1	162.7	-92.9	-171.7	169.6	-175.8	-3.9	110.5
116	N	31.3	Very low	30.8	Very low	148 Å²	148	147 Å²	147	79%	0.791	85%	0.853	S	S	*	*			trans	-81.1	154.7	166.1	-104.3	-22	0	0	0	110.4
117	N	30.2	Very low	30.6	Very low	167 Å²	167	147 Å²	147	89%	0.893	84%	0.842	S	S	*	*				-163.6	146.4	127.6	-104.3	-7	0	0	0	111.8
118	Q	31.5	Very low	30.7	Very low	166 Å²	166	153.9 Å²	153.9	78%	0.776	84%	0.843	S	S	*	*			trans	-102.1	157.2	172.9	-58	173.3	-0.3	0	0	109.7
119	L	31.1	Very low	30.4	Very low	145 Å²	145	155.6 Å²	155.6	76%	0.759	84%	0.843	S	S	*	*				172.2	123.4	118.7	-92	157.5	0	0	0	114.2
120	K	31.3	Very low	30.4	Very low	201 Å²	201	148.5 Å²	148.5	87%	0.874	83%	0.827	S	S	*	*			trans	31.8	130.4	145.7	-65.7	175.9	-179.8	178.9	0	121.4
121	G	24.6	Very low	30.3	Very low	83 Å²	83	147.2 Å²	147.2	86%	0.856	82%	0.824	S	S	*	*			trans	172.4	81.5	153.4	0	0	0	0	0	117.9
122	S	27	Very low	30.7	Very low	120 Å²	120	150.7 Å²	150.7	84%	0.839	82%	0.815	S	S	*	*			trans	-95.9	170.6	160	-43.1	0	0	0	0	109.7
123	P	46.9	Very low	30.8	Very low	112 Å²	112	147.8 Å²	147.8	73%	0.727	79%	0.79	S	S	*	*			cis	-137.3	172.9	1.2	42.6	-27.1	0	0	0	115.7
124	K	27.8	Very low	31.2	Very low	212 Å²	212	140.2 Å²	140.2	92%	0.922	77%	0.768	S	S	*	*				-170.5	166.1	127	-106.4	165.1	-175.3	177.7	0	113.5
125	N	27.5	Very low	32	Very low	158 Å²	158	143.8 Å²	143.8	85%	0.845	77%	0.768	S	S	*	*			trans	-89.4	149.4	-169	-173.9	11.1	0	0	0	112.5
126	G	25.2	Very low	32.3	Very low	75 Å²	75	132 Å²	132	77%	0.773	73%	0.726	S	S	*	*			trans	-170.5	41.3	-174.4	0	0	0	0	0	116.1	R128	G126-R128 PolarHBondContact O-N 3.31Å
127	N	28.1	Very low	33	Very low	133 Å²	133	127.2 Å²	127.2	71%	0.711	70%	0.702	S	S	*	*			trans	-53.6	120.1	-178.6	170.6	25.3	0	0	0	115
128	R	28.7	Very low	33.4	Very low	225 Å²	225	123.5 Å²	123.5	85%	0.849	68%	0.682	S	S	*	*			trans	-171.3	77.3	137.4	-111.9	-178.9	-178.2	-161.3	0.1	113.9	G126	G126-R128 PolarHBondContact O-N 3.31Å
129	D	27.7	Very low	34.1	Very low	156 Å²	156	119.1 Å²	119.1	83%	0.834	66%	0.663	S	S	*	*			trans	-80.6	117.7	168	-62.2	-62.6	0	0	0	110.8
130	V	30.2	Very low	34.7	Very low	103 Å²	103	112.3 Å²	112.3	62%	0.624	63%	0.627	S	S	*	*			trans	-109.5	75.6	169.3	-173.3	0	0	0	0	108.1	F132	V130-F132 HydrophobicContact CB-CE2 4.34Å; V130-F132 HydrophobicContact CG1-CD2 4.1Å; V130-F132 HydrophobicContact CG1-CE2 3.61Å; V130-F132 HydrophobicContact CG1-CZ 3.94Å; V130-F132 VanDerWaalsContact O-CD2 3.29Å; V130-F132 WeakPolarHBondContact O-CD2 3.29Å; V130-F132 PolarHBondContact O-N 3.35Å
131	A	30.3	Very low	35.2	Very low	98 Å²	98	105.7 Å²	105.7	81%	0.81	61%	0.61	S	S	*	*			trans	-70.7	106.5	175.4	0	0	0	0	0	109.9
132	F	35.9	Very low	35.8	Very low	159 Å²	159	105.1 Å²	105.1	70%	0.697	60%	0.597	S	S	*	*			trans	-71.5	145.9	-179.4	-80.4	-91.2	0	0	0	112.3	V130 I134	V130-F132 HydrophobicContact CB-CE2 4.34Å; V130-F132 HydrophobicContact CG1-CD2 4.1Å; V130-F132 HydrophobicContact CG1-CE2 3.61Å; V130-F132 HydrophobicContact CG1-CZ 3.94Å; V130-F132 VanDerWaalsContact O-CD2 3.29Å; V130-F132 WeakPolarHBondContact O-CD2 3.29Å; V130-F132 PolarHBondContact O-N 3.35Å; F132-I134 VanDerWaalsContact C-N 3.27Å; F132-I134 HydrophobicContact CB-CD1 4.14Å; F132-I134 HydrophobicContact CB-CG1 4.04Å; F132-I134 PolarHBondContact O-N 3.07Å
133	D	39.1	Very low	36.3	Very low	55 Å²	55	105 Å²	105	29%	0.294	59%	0.587	S	S	.	*			trans	-90.7	50.4	-163.2	-159.2	41.7	0	0	0	113.3	T137 K555 R557	D133-T137 PolarHBondContact O-OG1 3.18Å; D133-K555 IonicContact OD1-NZ 3.21Å; D133-K555 PolarHBondContact OD1-NZ 3.03Å; D133-R557 IonicContact OD2-CZ 2.99Å; D133-R557 IonicContact OD2-NH1 3.78Å; D133-R557 PolarHBondContact OD2-NH1 3.37Å
134	I	40	Very low	36.1	Very low	98 Å²	98	102.1 Å²	102.1	50%	0.503	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-72.6	-51.7	-163.2	-63.3	176.4	0	0	0	112.3	F132 G136 T137 D138	F132-I134 VanDerWaalsContact C-N 3.27Å; F132-I134 HydrophobicContact CB-CD1 4.14Å; F132-I134 HydrophobicContact CB-CG1 4.04Å; F132-I134 PolarHBondContact O-N 3.07Å; I134-G136 PolarHBondContact O-N 3.3Å; I134-T137 PolarHBondContact O-N 3.04Å; I134-D138 WeakPolarHBondContact CG2-OD2 3.29Å; I134-D138 PolarHBondContact O-N 3.22Å
135	L	45.1	Very low	36.4	Very low	152 Å²	152	99.6 Å²	99.6	80%	0.796	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-58.4	-12.7	-171.5	-86.4	161.4	0	0	0	117	I139	L135-I139 WeakPolarHBondContact O-CD1 3.11Å
136	G	37.9	Very low	36.6	Very low	7 Å²	7	99.7 Å²	99.7	7%	0.072	56%	0.561	C	S	.	*	G	3₁₀ helix	trans	-104.1	-2.8	176.8	0	0	0	0	0	114.8	I134 L561	I134-G136 PolarHBondContact O-N 3.3Å; G136-L561 VanDerWaalsContact O-CD1 3.31Å; G136-L561 WeakPolarHBondContact O-CD1 3.43Å
137	T	46.2	Very low	36.9	Very low	46 Å²	46	101 Å²	101	28%	0.282	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.4	-45.4	-169.9	-50.4	0	0	0	0	110.8	D133 I134 I139 W140 V606	D133-T137 PolarHBondContact O-OG1 3.18Å; I134-T137 PolarHBondContact O-N 3.04Å; T137-I139 VanDerWaalsContact C-N 3.32Å; T137-I139 PolarHBondContact O-N 3.47Å; T137-W140 PolarHBondContact O-N 3.47Å; T137-V606 HydrophobicContact CG2-CG1 3.54Å; T137-V606 WeakPolarHBondContact O-CG1 3.33Å
138	D	39.7	Very low	36.9	Very low	90 Å²	90	104.3 Å²	104.3	48%	0.481	57%	0.57	S	S	.	*	H	α-helix	trans	-70	-27.5	-169.7	-58.8	3	0	0	0	113.4	I134 W140 A141 A142	I134-D138 WeakPolarHBondContact CG2-OD2 3.29Å; I134-D138 PolarHBondContact O-N 3.22Å; D138-W140 PolarHBondContact O-N 2.96Å; D138-A141 PolarHBondContact O-N 2.9Å; D138-A142 PolarHBondContact O-N 2.89Å; D138-A142 VanDerWaalsContact O-N 3.07Å
139	I	46	Very low	36.9	Very low	73 Å²	73	97.2 Å²	97.2	37%	0.374	57%	0.567	S	S	.	*	H	α-helix	trans	-62.5	-26.3	179.1	-49.4	-180	0	0	0	112.1	L135 T137 N143 Q565	L135-I139 WeakPolarHBondContact O-CD1 3.11Å; T137-I139 VanDerWaalsContact C-N 3.32Å; T137-I139 PolarHBondContact O-N 3.47Å; I139-N143 PolarHBondContact O-ND2 2.84Å; I139-Q565 PolarHBondContact O-NE2 2.9Å
140	W	42.4	Very low	37.2	Very low	3 Å²	3	94.2 Å²	94.2	1%	0.011	57%	0.573	C	S	.	*	H	α-helix	trans	-85.6	-34.7	172.1	-82.1	89.2	0	0	0	112.6	T137 D138 T144 L561 L564 Q565 F568 V606 L607 P610	T137-W140 PolarHBondContact O-N 3.47Å; D138-W140 PolarHBondContact O-N 2.96Å; W140-T144 PolarHBondContact O-OG1 2.9Å; W140-L561 PolarHBondContact NE1-O 2.95Å; W140-L564 HydrophobicContact CZ2-CB 4.03Å; W140-Q565 HydrophobicContact CD2-CB 4.47Å; W140-Q565 HydrophobicContact CD2-CG 4.3Å; W140-Q565 HydrophobicContact CH2-CB 4.11Å; W140-Q565 HydrophobicContact CH2-CG 4.38Å; W140-Q565 VanDerWaalsContact CZ2-CA 3.43Å; W140-Q565 HydrophobicContact CZ2-CB 3.54Å; W140-Q565 HydrophobicContact CZ2-CG 4.12Å; W140-F568 HydrophobicContact CH2-CB 3.95Å; W140-F568 HydrophobicContact CH2-CD1 4.36Å; W140-F568 HydrophobicContact CH2-CG 4.18Å; W140-F568 HydrophobicContact CZ3-CB 4.24Å; W140-F568 AromaticContact CZ3-CD1 3.79Å; W140-F568 HydrophobicContact CZ3-CD1 3.79Å; W140-F568 HydrophobicContact CZ3-CE1 4.36Å; W140-F568 HydrophobicContact CZ3-CG 4.01Å; W140-V606 HydrophobicContact CB-CB 3.71Å; W140-V606 HydrophobicContact CB-CG1 4.1Å; W140-V606 HydrophobicContact CB-CG2 4.4Å; W140-V606 HydrophobicContact CG-CB 4.24Å; W140-V606 HydrophobicContact CG-CG2 4.48Å; W140-L607 HydrophobicContact CD2-CD2 4.48Å; W140-L607 HydrophobicContact CH2-CD2 4.32Å; W140-L607 HydrophobicContact CZ2-CD2 3.94Å; W140-P610 HydrophobicContact CE3-CB 4.46Å; W140-P610 HydrophobicContact CE3-CG 3.56Å; W140-P610 HydrophobicContact CH2-CB 4.37Å; W140-P610 HydrophobicContact CH2-CG 4.31Å; W140-P610 HydrophobicContact CZ3-CB 3.71Å; W140-P610 HydrophobicContact CZ3-CG 3.29Å
141	A	42.9	Very low	37.3	Very low	62 Å²	62	93 Å²	93	51%	0.512	57%	0.574	S	S	.	*	H	α-helix	trans	-64.3	-44.2	-179.9	0	0	0	0	0	111.8	D138 N143	D138-A141 PolarHBondContact O-N 2.9Å; A141-N143 PolarHBondContact O-N 2.57Å
142	A	38.1	Very low	37.2	Very low	71 Å²	71	92.2 Å²	92.2	59%	0.587	58%	0.575	S	S	*	*	H	α-helix	trans	-62.7	-39.8	-178.8	0	0	0	0	0	113.6	D138 T144	D138-A142 PolarHBondContact O-N 2.89Å; D138-A142 VanDerWaalsContact O-N 3.07Å; A142-T144 PolarHBondContact O-N 2.91Å
143	N	36.1	Very low	36.9	Very low	116 Å²	116	96.8 Å²	96.8	62%	0.62	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	11.1	-170.1	-71.1	-53.4	0	0	0	115	I139 A141 Q565	I139-N143 PolarHBondContact O-ND2 2.84Å; A141-N143 PolarHBondContact O-N 2.57Å; N143-Q565 PolarHBondContact ND2-NE2 3.28Å
144	T	44.2	Very low	36.9	Very low	52 Å²	52	101 Å²	101	32%	0.319	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116.2	7.2	-172.3	-47.3	0	0	0	0	113.5	W140 A142 C609	W140-T144 PolarHBondContact O-OG1 2.9Å; A142-T144 PolarHBondContact O-N 2.91Å; T144-C609 HydrophobicContact CG2-CB 4.01Å
145	M	32.7	Very low	36.5	Very low	160 Å²	160	102.1 Å²	102.1	79%	0.788	62%	0.621	S	S	*	*			trans	-122.1	10.5	-171.8	-81.2	-91.3	64.1	0	0	117
146	D	33.1	Very low	35.9	Very low	159 Å²	159	102.4 Å²	102.4	85%	0.85	62%	0.619	S	S	*	*			trans	-102.6	77.7	174.7	-83.6	-57.5	0	0	0	113
147	S	29.6	Very low	35.8	Very low	104 Å²	104	107.7 Å²	107.7	73%	0.727	65%	0.652	S	S	*	*	S	Bend	trans	-161.8	90.3	161.8	-82.6	0	0	0	0	112.1
148	H	30	Very low	35.3	Very low	201 Å²	201	114.2 Å²	114.2	93%	0.931	68%	0.679	S	S	*	*	S	Bend	trans	52	78.1	160.1	-51.9	-59.6	0	0	0	118.3
149	G	28.6	Very low	35.2	Very low	77 Å²	77	118.8 Å²	118.8	79%	0.794	70%	0.695	S	S	*	*			trans	-158.3	59	173.9	0	0	0	0	0	114.7	A151	G149-A151 PolarHBondContact O-N 3.22Å
150	G	32.4	Very low	34.6	Very low	93 Å²	93	121 Å²	121	96%	0.959	71%	0.707	S	S	*	*			trans	-69.5	96.6	-171.9	0	0	0	0	0	115.5
151	A	32.1	Very low	34.1	Very low	78 Å²	78	127.1 Å²	127.1	65%	0.645	74%	0.739	S	S	*	*			trans	-146.4	121	160.2	0	0	0	0	0	109.7	G149	G149-A151 PolarHBondContact O-N 3.22Å
152	G	28.9	Very low	33.8	Very low	81 Å²	81	132.5 Å²	132.5	84%	0.835	75%	0.752	S	S	*	*			trans	-76.2	125.2	-177.9	0	0	0	0	0	112.4	D154	G152-D154 PolarHBondContact O-N 3.48Å
153	W	30.3	Very low	33.8	Very low	255 Å²	255	132.1 Å²	132.1	97%	0.966	75%	0.745	S	S	*	*			trans	-90.3	82.6	-180	-72.3	94.6	0	0	0	112.5
154	D	38.8	Very low	33.8	Very low	144 Å²	144	134.3 Å²	134.3	77%	0.77	75%	0.751	S	S	*	*			trans	-144.4	88.8	152.7	-172.4	18.5	0	0	0	111.2	G152	G152-D154 PolarHBondContact O-N 3.48Å
155	V	30.9	Very low	33	Very low	120 Å²	120	141.9 Å²	141.9	73%	0.727	78%	0.78	S	S	*	*			trans	-144.3	119.9	168	-175.6	0	0	0	0	108.6
156	Q	32.6	Very low	33	Very low	159 Å²	159	142.8 Å²	142.8	74%	0.743	78%	0.782	S	S	*	*			trans	-75	148.2	176.2	-71.7	-166.6	-10.4	0	0	112.4	E158	Q156-E158 VanDerWaalsContact C-N 3.32Å; Q156-E158 PolarHBondContact O-N 3.3Å; Q156-E158 VanDerWaalsContact O-N 3.15Å
157	P	35.4	Very low	32.9	Very low	118 Å²	118	144.7 Å²	144.7	77%	0.766	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-4.9	-159.6	29.4	-37.4	0	0	0	116.5
158	E	36.1	Very low	33	Very low	182 Å²	182	149.3 Å²	149.3	85%	0.85	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	5.8	-167.9	-61	-167	-177.6	0	0	115.3	Q156	Q156-E158 VanDerWaalsContact C-N 3.32Å; Q156-E158 PolarHBondContact O-N 3.3Å; Q156-E158 VanDerWaalsContact O-N 3.15Å
159	K	37.8	Very low	33	Very low	187 Å²	187	146.9 Å²	146.9	81%	0.813	77%	0.773	S	S	*	*			trans	-138.4	71.7	-178.9	-67	-175.8	-177.2	172.1	0	113.7
160	L	34.8	Very low	33	Very low	119 Å²	119	153.4 Å²	153.4	62%	0.623	78%	0.78	S	S	*	*			trans	-118.9	102.5	165.6	-69.3	176	0	0	0	110.5	F162	L160-F162 HydrophobicContact CB-CE2 3.83Å; L160-F162 HydrophobicContact CB-CZ 4.06Å; L160-F162 HydrophobicContact CD1-CZ 4.21Å
161	D	31.9	Very low	33	Very low	131 Å²	131	159.9 Å²	159.9	70%	0.701	78%	0.775	S	S	*	*			trans	-81	131.4	161.6	-175.2	-30.6	0	0	0	108	S163	D161-S163 VanDerWaalsContact CG-OG 3.29Å; D161-S163 WeakPolarHBondContact OD1-CB 3.42Å; D161-S163 PolarHBondContact OD1-N 3.32Å; D161-S163 PolarHBondContact OD1-OG 2.72Å
162	F	36	Very low	32.9	Very low	176 Å²	176	159.8 Å²	159.8	77%	0.772	78%	0.781	S	S	*	*			trans	-98.7	17.4	-176.8	-75.4	-81.6	0	0	0	114	L160	L160-F162 HydrophobicContact CB-CE2 3.83Å; L160-F162 HydrophobicContact CB-CZ 4.06Å; L160-F162 HydrophobicContact CD1-CZ 4.21Å
163	S	37.1	Very low	32.9	Very low	63 Å²	63	163.7 Å²	163.7	44%	0.441	78%	0.78	S	S	.	*			trans	-71.7	152.4	161.6	58.7	0	0	0	0	111.6	D161	D161-S163 VanDerWaalsContact CG-OG 3.29Å; D161-S163 WeakPolarHBondContact OD1-CB 3.42Å; D161-S163 PolarHBondContact OD1-N 3.32Å; D161-S163 PolarHBondContact OD1-OG 2.72Å
164	H	36.2	Very low	33.1	Very low	162 Å²	162	157.2 Å²	157.2	75%	0.75	77%	0.771	S	S	*	*			trans	75.7	45.5	174.8	-56.3	-77.8	0	0	0	120.5
165	F	27.8	Very low	32.8	Very low	210 Å²	210	160.1 Å²	160.1	92%	0.921	78%	0.776	S	S	*	*			trans	-111.4	69.3	151.9	-87.4	-76.5	0	0	0	113.5	R167	F165-R167 PolarHBondContact O-N 3Å
166	H	33	Very low	32.7	Very low	180 Å²	180	163.7 Å²	163.7	83%	0.833	79%	0.785	S	S	*	*			trans	-77.3	102	170	-86.7	-61.4	0	0	0	112.1	K168	H166-K168 PolarHBondContact O-N 3.18Å
167	R	31.6	Very low	32.5	Very low	198 Å²	198	163.9 Å²	163.9	75%	0.747	79%	0.791	S	S	*	*			trans	-22.4	115.9	164.2	-180	-165.8	-73	-169.4	-5.9	114.5	F165 H169	F165-R167 PolarHBondContact O-N 3Å; R167-H169 VanDerWaalsContact CD-NE2 3.31Å; R167-H169 WeakPolarHBondContact CD-NE2 3.11Å
168	K	31.4	Very low	32.5	Very low	201 Å²	201	163.7 Å²	163.7	87%	0.874	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-92.3	134.2	155.5	-74.2	-177.9	177.9	175.4	0	109.9	H166	H166-K168 PolarHBondContact O-N 3.18Å
169	H	29.3	Very low	32.2	Very low	151 Å²	151	163.1 Å²	163.1	70%	0.699	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-90.5	126.3	173.6	-83.9	-92.6	0	0	0	110.3	R167	R167-H169 VanDerWaalsContact CD-NE2 3.31Å; R167-H169 WeakPolarHBondContact CD-NE2 3.11Å
170	F	28.4	Very low	31.9	Very low	214 Å²	214	161.4 Å²	161.4	94%	0.939	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-84.4	143.2	159.5	-97.9	-89	0	0	0	110.7
171	R	33.2	Very low	31.7	Very low	229 Å²	229	162.3 Å²	162.3	86%	0.864	79%	0.79	S	S	*	*			trans	-124.1	107.8	-178.8	175.4	-165.7	-88.9	-125.1	3.4	109
172	G	29.1	Very low	32.1	Very low	75 Å²	75	167.4 Å²	167.4	77%	0.773	80%	0.799	S	S	*	*			trans	-125.5	144.2	167.1	0	0	0	0	0	109.8
173	M	29.5	Very low	32	Very low	164 Å²	164	168.3 Å²	168.3	81%	0.808	81%	0.806	S	S	*	*			trans	-104.9	135.9	-178.8	-57.9	-140.9	73.3	0	0	111
174	P	33.8	Very low	31.7	Very low	118 Å²	118	169 Å²	169	77%	0.766	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-73.9	136.8	178.6	30.2	-33.9	0	0	0	111.4
175	K	32.6	Very low	31.3	Very low	205 Å²	205	170 Å²	170	89%	0.891	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-76.3	155.6	164.1	-70.1	-179.4	178.8	177	0	109.7
176	Q	28.6	Very low	31.4	Very low	196 Å²	196	165.1 Å²	165.1	92%	0.916	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-77.7	144.9	-173	-64.8	-179.2	-7.2	0	0	112.5
177	L	29.9	Very low	31.6	Very low	163 Å²	163	165.9 Å²	165.9	85%	0.853	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-86.3	152.2	165.9	-77.3	162.1	0	0	0	110.2
178	P	33.8	Very low	31.5	Very low	114 Å²	114	163.7 Å²	163.7	74%	0.74	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-69.1	156.2	-177.3	28.6	-35.2	0	0	0	113.2
179	H	30.7	Very low	31.9	Very low	169 Å²	169	163.1 Å²	163.1	78%	0.782	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-73.5	139.5	176.1	-159.9	57.9	0	0	0	110.6	D181	H179-D181 IonicContact CD2-OD1 2.73Å
180	I	32.1	Very low	32	Very low	152 Å²	152	165.7 Å²	165.7	78%	0.779	83%	0.832	S	S	*	*			trans	-117.6	119.8	169.7	-61.6	177	0	0	0	106.8
181	D	29.8	Very low	32.4	Very low	137 Å²	137	160.1 Å²	160.1	73%	0.733	83%	0.826	S	S	*	*			trans	-66.1	149.4	179.4	-76.1	-58.1	0	0	0	112.2	H179	H179-D181 IonicContact CD2-OD1 2.73Å
182	R	40.2	Very low	32.6	Very low	238 Å²	238	158.4 Å²	158.4	90%	0.898	83%	0.828	S	S	*	*			trans	-121.3	68.4	-170.4	-168.2	-163.8	168.5	124.6	1.7	112
183	E	33.5	Very low	33.4	Very low	196 Å²	196	162.1 Å²	162.1	92%	0.916	83%	0.83	S	S	*	*			trans	-125.5	152.4	166.9	-62.9	-163.1	143.9	0	0	110.3
184	G	31.8	Very low	34.1	Very low	76 Å²	76	161.9 Å²	161.9	78%	0.784	83%	0.832	S	S	*	*			trans	111.1	15.8	177.6	0	0	0	0	0	117.6	S186	G184-S186 PolarHBondContact O-N 2.94Å; G184-S186 VanDerWaalsContact O-N 3.15Å
185	M	27.4	Very low	34.4	Very low	184 Å²	184	159.5 Å²	159.5	91%	0.906	83%	0.829	S	S	*	*			trans	-84.6	78.9	174.2	-145	91.7	172.3	0	0	111
186	S	30.1	Very low	35	Very low	107 Å²	107	156.7 Å²	156.7	75%	0.748	82%	0.822	S	S	*	*			trans	-64.8	147.5	172.5	47.4	0	0	0	0	111.4	G184	G184-S186 PolarHBondContact O-N 2.94Å; G184-S186 VanDerWaalsContact O-N 3.15Å
187	K	37.5	Very low	36.2	Very low	197 Å²	197	151.6 Å²	151.6	86%	0.857	80%	0.801	S	S	*	*			trans	-112.7	83.5	-159.9	-176.5	-170.3	177.9	179	0	111.6
188	D	28.7	Very low	37.4	Very low	151 Å²	151	151 Å²	151	81%	0.807	80%	0.796	S	S	*	*			trans	-95	151.3	170.6	-85.4	-59	0	0	0	113.1
189	K	40.9	Very low	38.3	Very low	189 Å²	189	152 Å²	152	82%	0.822	80%	0.795	S	S	*	*			trans	-103.1	118.9	-174.9	-59.2	173.8	-175.1	172.4	0	109.8
190	F	30.2	Very low	39.2	Very low	205 Å²	205	147.3 Å²	147.3	90%	0.899	78%	0.776	S	S	*	*			trans	-124.9	125.1	147	-77.9	-83.2	0	0	0	108.2
191	A	37.3	Very low	40.3	Very low	98 Å²	98	143.9 Å²	143.9	81%	0.81	76%	0.759	S	S	*	*			trans	-133.4	87.7	175.4	0	0	0	0	0	106.3
192	E	37.8	Very low	41.5	Very low	192 Å²	192	142.4 Å²	142.4	90%	0.897	75%	0.747	S	S	*	*			trans	-122.9	152.6	160.4	-68.3	-167	137.8	0	0	107.4
193	D	44.9	Very low	42.3	Very low	153 Å²	153	140 Å²	140	82%	0.818	74%	0.738	S	S	*	*			trans	-119.3	101	-153.7	-175.6	23.8	0	0	0	110.8
194	D	45.1	Very low	43.2	Very low	159 Å²	159	137.8 Å²	137.8	85%	0.85	73%	0.726	S	S	*	*			trans	-132.4	46.9	174.8	-97.3	-45.3	0	0	0	110.1	I196	D194-I196 PolarHBondContact O-N 2.87Å
195	G	39.1	Very low	44.3	Very low	68 Å²	68	138.5 Å²	138.5	70%	0.701	71%	0.711	S	S	*	*			trans	-73.7	85.2	174.5	0	0	0	0	0	112.5	D197	G195-D197 PolarHBondContact O-N 3.15Å; G195-D197 VanDerWaalsContact O-N 3.15Å
196	I	45.7	Very low	45.7	Very low	146 Å²	146	134.5 Å²	134.5	75%	0.749	70%	0.699	S	S	*	*			trans	-53.4	118.4	176.8	-56.9	176.4	0	0	0	110.4	D194 M198	D194-I196 PolarHBondContact O-N 2.87Å; I196-M198 PolarHBondContact O-N 3.03Å
197	D	53	Low	46.8	Very low	89 Å²	89	135.8 Å²	135.8	48%	0.476	69%	0.693	S	S	.	*			trans	-70.3	121.2	175.2	-173	1.2	0	0	0	110.5	G195 N199 D200	G195-D197 PolarHBondContact O-N 3.15Å; G195-D197 VanDerWaalsContact O-N 3.15Å; D197-N199 PolarHBondContact O-N 3.26Å; D197-N199 VanDerWaalsContact O-N 3.12Å; D197-N199 PolarHBondContact OD1-N 2.77Å; D197-N199 PolarHBondContact OD1-ND2 3.44Å; D197-N199 PolarHBondContact OD2-ND2 3.28Å; D197-N199 VanDerWaalsContact OD2-ND2 3.07Å; D197-D200 PolarHBondContact O-N 2.64Å; D197-D200 VanDerWaalsContact O-N 3.09Å
198	M	55.4	Low	47.7	Very low	152 Å²	152	130.2 Å²	130.2	75%	0.749	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-17.3	176	-69.6	-67.7	-58.7	0	0	113.6	I196	I196-M198 PolarHBondContact O-N 3.03Å
199	N	52.3	Low	48.9	Very low	133 Å²	133	130.6 Å²	130.6	71%	0.711	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-27.5	174.6	-58.7	-61.1	0	0	0	113.3	D197 L201	D197-N199 PolarHBondContact O-N 3.26Å; D197-N199 VanDerWaalsContact O-N 3.12Å; D197-N199 PolarHBondContact OD1-N 2.77Å; D197-N199 PolarHBondContact OD1-ND2 3.44Å; D197-N199 PolarHBondContact OD2-ND2 3.28Å; D197-N199 VanDerWaalsContact OD2-ND2 3.07Å; N199-L201 VanDerWaalsContact C-N 3.3Å; N199-L201 PolarHBondContact O-N 3.28Å
200	D	51.4	Low	49.7	Very low	71 Å²	71	125.8 Å²	125.8	38%	0.38	65%	0.652	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.9	1.9	-174.1	-127.3	-4.8	0	0	0	112.5	D197 E202 R203 F204	D197-D200 PolarHBondContact O-N 2.64Å; D197-D200 VanDerWaalsContact O-N 3.09Å; D200-E202 VanDerWaalsContact C-N 3.28Å; D200-E202 PolarHBondContact O-N 2.66Å; D200-R203 WeakPolarHBondContact O-CB 3.47Å; D200-R203 PolarHBondContact O-N 2.93Å; D200-R203 WeakPolarHBondContact OD1-CD 3.31Å; D200-R203 IonicContact OD1-NH1 3.46Å; D200-R203 IonicContact OD2-NH1 3.2Å; D200-R203 PolarHBondContact OD2-NH1 3.4Å; D200-F204 WeakPolarHBondContact O-CD2 3.46Å
201	L	54.8	Low	51	Low	80 Å²	80	120.7 Å²	120.7	42%	0.419	64%	0.638	S	S	.	*	H	α-helix	trans	-60.7	-31.6	-175.1	-174.2	61.7	0	0	0	113.8	N199 R203 F204 L205	N199-L201 VanDerWaalsContact C-N 3.3Å; N199-L201 PolarHBondContact O-N 3.28Å; L201-R203 PolarHBondContact O-N 3.33Å; L201-F204 PolarHBondContact O-N 2.93Å; L201-L205 HydrophobicContact CD1-CD1 4.29Å; L201-L205 PolarHBondContact O-N 3.39Å
202	E	55	Low	51.6	Low	106 Å²	106	123.3 Å²	123.3	50%	0.495	63%	0.631	S	S	.	*	H	α-helix	trans	-65.1	-25.5	175.1	-72.5	179	-168.9	0	0	112.8	D200 F204 L205 R209	D200-E202 VanDerWaalsContact C-N 3.28Å; D200-E202 PolarHBondContact O-N 2.66Å; E202-F204 VanDerWaalsContact C-N 3.34Å; E202-L205 CarbonylContact O-C 3.51Å; E202-R209 IonicContact OE1-CZ 3.85Å; E202-R209 IonicContact OE1-NE 3.21Å; E202-R209 PolarHBondContact OE1-NE 3.39Å; E202-R209 IonicContact OE1-NH2 3.54Å; E202-R209 PolarHBondContact OE1-NH2 2.94Å
203	R	56.1	Low	52.6	Low	189 Å²	189	118.7 Å²	118.7	71%	0.713	62%	0.618	S	S	*	*	H	α-helix	trans	-72.5	-28.8	178	-163.7	176.9	-179.4	-177.8	0.2	112.6	D200 L201	D200-R203 WeakPolarHBondContact O-CB 3.47Å; D200-R203 PolarHBondContact O-N 2.93Å; D200-R203 WeakPolarHBondContact OD1-CD 3.31Å; D200-R203 IonicContact OD1-NH1 3.46Å; D200-R203 IonicContact OD2-NH1 3.2Å; D200-R203 PolarHBondContact OD2-NH1 3.4Å; L201-R203 PolarHBondContact O-N 3.33Å
204	F	52.2	Low	53.2	Low	149 Å²	149	115.1 Å²	115.1	65%	0.654	60%	0.603	S	S	*	*	H	α-helix	trans	-91.1	-28.6	176.5	-67.2	-82.9	0	0	0	112.7	D200 L201 E202	D200-F204 WeakPolarHBondContact O-CD2 3.46Å; L201-F204 PolarHBondContact O-N 2.93Å; E202-F204 VanDerWaalsContact C-N 3.34Å
205	L	56.3	Low	53.9	Low	91 Å²	91	112.9 Å²	112.9	48%	0.476	59%	0.59	S	S	.	*			trans	-131.3	75.1	-178.1	-63.8	172.8	0	0	0	112	L201 E202 H207 L208	L201-L205 HydrophobicContact CD1-CD1 4.29Å; L201-L205 PolarHBondContact O-N 3.39Å; E202-L205 CarbonylContact O-C 3.51Å; L205-H207 PolarHBondContact O-N 3.07Å; L205-L208 HydrophobicContact CB-CB 4.17Å; L205-L208 HydrophobicContact CB-CD1 4.14Å; L205-L208 HydrophobicContact CD1-CD1 3.71Å; L205-L208 PolarHBondContact O-N 2.88Å; L205-L208 VanDerWaalsContact O-N 3.11Å
206	P	56.2	Low	55	Low	99 Å²	99	116.4 Å²	116.4	64%	0.643	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-11.9	-172	-26.3	36	0	0	0	116.5
207	H	53.3	Low	56	Low	135 Å²	135	112.8 Å²	112.8	63%	0.625	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	1	-176	-57.1	101.3	0	0	0	113.4	L205 R209 S210 V211	L205-H207 PolarHBondContact O-N 3.07Å; H207-R209 VanDerWaalsContact C-N 3.3Å; H207-R209 PolarHBondContact O-N 3.24Å; H207-S210 PolarHBondContact O-N 3.16Å; H207-S210 PolarHBondContact O-OG 3.47Å; H207-V211 PolarHBondContact O-N 2.96Å; H207-V211 VanDerWaalsContact O-N 3.13Å
208	L	56.7	Low	56.9	Low	79 Å²	79	113.8 Å²	113.8	41%	0.414	59%	0.585	S	S	.	*	H	α-helix	trans	-62.7	-35.6	-170.7	-163.1	145.5	0	0	0	112.7	L205 F212	L205-L208 HydrophobicContact CB-CB 4.17Å; L205-L208 HydrophobicContact CB-CD1 4.14Å; L205-L208 HydrophobicContact CD1-CD1 3.71Å; L205-L208 PolarHBondContact O-N 2.88Å; L205-L208 VanDerWaalsContact O-N 3.11Å; L208-F212 PolarHBondContact O-N 3.28Å; L208-F212 VanDerWaalsContact O-N 3.11Å
209	R	53.2	Low	57.4	Low	159 Å²	159	110.4 Å²	110.4	60%	0.6	58%	0.581	S	S	*	*	H	α-helix	trans	-78.6	-15.7	173.5	-66.3	-157.6	-163.9	-139.5	10.6	115.4	E202 H207 F212	E202-R209 IonicContact OE1-CZ 3.85Å; E202-R209 IonicContact OE1-NE 3.21Å; E202-R209 PolarHBondContact OE1-NE 3.39Å; E202-R209 IonicContact OE1-NH2 3.54Å; E202-R209 PolarHBondContact OE1-NH2 2.94Å; H207-R209 VanDerWaalsContact C-N 3.3Å; H207-R209 PolarHBondContact O-N 3.24Å; R209-F212 CarbonylContact O-C 3.39Å
210	S	58.8	Low	58.2	Low	88 Å²	88	110.3 Å²	110.3	62%	0.615	58%	0.577	S	S	*	*	H	α-helix	trans	-86.4	-27.6	174.1	65.7	0	0	0	0	112.1	H207	H207-S210 PolarHBondContact O-N 3.16Å; H207-S210 PolarHBondContact O-OG 3.47Å
211	V	57.1	Low	59.1	Low	99 Å²	99	109.7 Å²	109.7	60%	0.6	57%	0.572	S	S	*	*	H	α-helix	trans	-76.5	-37.3	169.8	-178.3	0	0	0	0	111.3	H207	H207-V211 PolarHBondContact O-N 2.96Å; H207-V211 VanDerWaalsContact O-N 3.13Å
212	F	49.4	Very low	59.9	Low	153 Å²	153	108.5 Å²	108.5	67%	0.671	57%	0.574	S	S	*	*	S	Bend	trans	-122.6	89.7	176.4	-63.8	-77.1	0	0	0	111.2	L208 R209	L208-F212 PolarHBondContact O-N 3.28Å; L208-F212 VanDerWaalsContact O-N 3.11Å; R209-F212 CarbonylContact O-C 3.39Å
213	P	58	Low	60.5	Low	95 Å²	95	109 Å²	109	62%	0.617	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-62.8	142.4	170.7	26.9	-34	0	0	0	110.3
214	P	58.3	Low	61.1	Low	77 Å²	77	103.1 Å²	103.1	50%	0.5	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-62.7	140.7	-179.3	26.3	-34.3	0	0	0	111.2	E218	P214-E218 WeakPolarHBondContact CB-OE2 3.43Å
215	L	60.7	Low	62.1	Low	113 Å²	113	102.4 Å²	102.4	59%	0.592	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-64.9	137.7	178.5	-65.1	174.1	0	0	0	109.9	N217 E218 I221	L215-N217 PolarHBondContact O-N 2.85Å; L215-E218 VanDerWaalsContact O-CB 3.3Å; L215-E218 WeakPolarHBondContact O-CB 3.38Å; L215-E218 PolarHBondContact O-N 3.19Å; L215-I221 HydrophobicContact CD1-CD1 4.23Å
216	P	61.3	Low	62.9	Low	141 Å²	141	105.3 Å²	105.3	92%	0.916	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-14.4	-175.2	24.8	-34.7	0	0	0	114
217	N	66.4	Low	63.1	Low	70 Å²	70	105 Å²	105	37%	0.374	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.9	17.1	175.9	60.7	0.5	0	0	0	113.6	L215 A219 E220 I221	L215-N217 PolarHBondContact O-N 2.85Å; N217-A219 PolarHBondContact O-N 3.15Å; N217-E220 HydrophobicContact CB-CB 4.48Å; N217-E220 WeakPolarHBondContact O-CB 3.2Å; N217-E220 PolarHBondContact O-N 2.97Å; N217-I221 WeakPolarHBondContact O-CG1 3.41Å; N217-I221 PolarHBondContact O-N 3.32Å; N217-I221 WeakPolarHBondContact OD1-CD1 3.47Å
218	E	71.8	Confident	63.3	Low	110 Å²	110	104.4 Å²	104.4	51%	0.514	56%	0.555	S	S	.	*	H	α-helix	trans	-55.6	-38.1	-179.5	-179.9	168.3	-153.9	0	0	112.6	P214 L215 E220 I221 A222	P214-E218 WeakPolarHBondContact CB-OE2 3.43Å; L215-E218 VanDerWaalsContact O-CB 3.3Å; L215-E218 WeakPolarHBondContact O-CB 3.38Å; L215-E218 PolarHBondContact O-N 3.19Å; E218-E220 PolarHBondContact O-N 3.42Å; E218-I221 PolarHBondContact O-N 2.85Å; E218-A222 WeakPolarHBondContact O-CB 3.34Å; E218-A222 PolarHBondContact O-N 3.4Å
219	A	65.4	Low	63.5	Low	82 Å²	82	109.9 Å²	109.9	68%	0.678	57%	0.57	S	S	*	*	H	α-helix	trans	-62	-40.4	175	0	0	0	0	0	112.8	N217 A222 H223	N217-A219 PolarHBondContact O-N 3.15Å; A219-A222 PolarHBondContact O-N 2.88Å; A219-H223 WeakPolarHBondContact O-CB 3.36Å; A219-H223 PolarHBondContact O-N 3.12Å
220	E	69.4	Low	63.6	Low	131 Å²	131	111.2 Å²	111.2	61%	0.612	58%	0.575	S	S	*	*	H	α-helix	trans	-69.7	-39.6	175.8	-59.2	-169.2	122.5	0	0	111.5	N217 E218 A222 H223 T224	N217-E220 HydrophobicContact CB-CB 4.48Å; N217-E220 WeakPolarHBondContact O-CB 3.2Å; N217-E220 PolarHBondContact O-N 2.97Å; E218-E220 PolarHBondContact O-N 3.42Å; E220-A222 VanDerWaalsContact C-N 3.34Å; E220-H223 PolarHBondContact O-N 3.49Å; E220-T224 WeakPolarHBondContact O-CB 3.45Å; E220-T224 PolarHBondContact O-N 3.36Å; E220-T224 PolarHBondContact O-OG1 2.96Å
221	I	70.8	Confident	63	Low	57 Å²	57	115.4 Å²	115.4	29%	0.292	58%	0.578	S	S	.	*	H	α-helix	trans	-62.8	-42.7	174.8	-67	168.7	0	0	0	110	L215 N217 E218 K225	L215-I221 HydrophobicContact CD1-CD1 4.23Å; N217-I221 WeakPolarHBondContact O-CG1 3.41Å; N217-I221 PolarHBondContact O-N 3.32Å; N217-I221 WeakPolarHBondContact OD1-CD1 3.47Å; E218-I221 PolarHBondContact O-N 2.85Å; I221-K225 HydrophobicContact CG2-CD 3.98Å; I221-K225 VanDerWaalsContact CG2-CE 3.49Å; I221-K225 WeakPolarHBondContact O-CB 3.33Å; I221-K225 VanDerWaalsContact O-CG 3.23Å; I221-K225 WeakPolarHBondContact O-CG 3.26Å; I221-K225 PolarHBondContact O-N 2.91Å
222	A	71.5	Confident	62.5	Low	55 Å²	55	119.2 Å²	119.2	46%	0.455	58%	0.581	S	S	.	*	H	α-helix	trans	-65.1	-45.7	175.7	0	0	0	0	0	111.8	E218 A219 E220 K225 K226	E218-A222 WeakPolarHBondContact O-CB 3.34Å; E218-A222 PolarHBondContact O-N 3.4Å; A219-A222 PolarHBondContact O-N 2.88Å; E220-A222 VanDerWaalsContact C-N 3.34Å; A222-K225 PolarHBondContact O-N 2.79Å; A222-K226 WeakPolarHBondContact O-CB 3.47Å; A222-K226 PolarHBondContact O-N 2.94Å
223	H	67.1	Low	62.5	Low	117 Å²	117	116.7 Å²	116.7	54%	0.542	58%	0.575	S	S	.	*	H	α-helix	trans	-61.6	-44	176.1	-174.4	-120.2	0	0	0	111.9	A219 E220 K226 L227	A219-H223 WeakPolarHBondContact O-CB 3.36Å; A219-H223 PolarHBondContact O-N 3.12Å; E220-H223 PolarHBondContact O-N 3.49Å; H223-K226 WeakPolarHBondContact O-CA 3.35Å; H223-K226 WeakPolarHBondContact O-CB 3.39Å; H223-K226 PolarHBondContact O-N 2.95Å; H223-K226 VanDerWaalsContact O-N 3.1Å; H223-L227 PolarHBondContact O-N 3.3Å
224	T	70.3	Confident	62.1	Low	65 Å²	65	116.5 Å²	116.5	40%	0.399	57%	0.569	S	S	.	*	H	α-helix	trans	-62.4	-45.9	175.8	-61	0	0	0	0	111.4	E220 K226 L227 F228	E220-T224 WeakPolarHBondContact O-CB 3.45Å; E220-T224 PolarHBondContact O-N 3.36Å; E220-T224 PolarHBondContact O-OG1 2.96Å; T224-K226 VanDerWaalsContact C-N 3.26Å; T224-K226 PolarHBondContact O-N 3.03Å; T224-L227 PolarHBondContact O-N 2.98Å; T224-F228 HydrophobicContact CG2-CD2 3.8Å; T224-F228 HydrophobicContact CG2-CE2 3.69Å; T224-F228 VanDerWaalsContact O-CD2 3.29Å; T224-F228 WeakPolarHBondContact O-CD2 3.36Å; T224-F228 PolarHBondContact O-N 2.84Å
225	K	72.1	Confident	61.6	Low	135 Å²	135	122.2 Å²	122.2	59%	0.587	58%	0.58	S	S	*	*	H	α-helix	trans	-58.8	-36.5	172.2	-75.2	168.1	-179.1	172.1	0	111.7	I221 A222 F228 R229	I221-K225 HydrophobicContact CG2-CD 3.98Å; I221-K225 VanDerWaalsContact CG2-CE 3.49Å; I221-K225 WeakPolarHBondContact O-CB 3.33Å; I221-K225 VanDerWaalsContact O-CG 3.23Å; I221-K225 WeakPolarHBondContact O-CG 3.26Å; I221-K225 PolarHBondContact O-N 2.91Å; A222-K225 PolarHBondContact O-N 2.79Å; K225-F228 PolarHBondContact O-N 3.32Å; K225-R229 WeakPolarHBondContact O-CG 3.23Å; K225-R229 PolarHBondContact O-N 2.74Å
226	K	72.6	Confident	60.9	Low	151 Å²	151	125.5 Å²	125.5	66%	0.657	59%	0.585	S	S	*	*	H	α-helix	trans	-68.6	-40.9	176.9	-154.7	170.1	-173.6	174.3	0	112.1	A222 H223 T224 R229 R230	A222-K226 WeakPolarHBondContact O-CB 3.47Å; A222-K226 PolarHBondContact O-N 2.94Å; H223-K226 WeakPolarHBondContact O-CA 3.35Å; H223-K226 WeakPolarHBondContact O-CB 3.39Å; H223-K226 PolarHBondContact O-N 2.95Å; H223-K226 VanDerWaalsContact O-N 3.1Å; T224-K226 VanDerWaalsContact C-N 3.26Å; T224-K226 PolarHBondContact O-N 3.03Å; K226-R229 PolarHBondContact O-N 3.16Å; K226-R230 PolarHBondContact O-N 3.04Å
227	L	62.1	Low	59.8	Low	94 Å²	94	126 Å²	126	49%	0.492	58%	0.575	S	S	.	*	H	α-helix	trans	-61.8	-46.2	171.5	-77.5	164.6	0	0	0	112.1	H223 T224 R229 R230 R231	H223-L227 PolarHBondContact O-N 3.3Å; T224-L227 PolarHBondContact O-N 2.98Å; L227-R229 VanDerWaalsContact C-N 3.32Å; L227-R229 PolarHBondContact O-N 2.94Å; L227-R230 PolarHBondContact O-N 2.7Å; L227-R231 PolarHBondContact O-N 3.11Å
228	F	56.8	Low	58.5	Low	122 Å²	122	130.5 Å²	130.5	54%	0.535	59%	0.591	S	S	.	*	H	α-helix	trans	-66.7	-29.7	176	-81.8	-69.7	0	0	0	113.4	T224 K225 R232	T224-F228 HydrophobicContact CG2-CD2 3.8Å; T224-F228 HydrophobicContact CG2-CE2 3.69Å; T224-F228 VanDerWaalsContact O-CD2 3.29Å; T224-F228 WeakPolarHBondContact O-CD2 3.36Å; T224-F228 PolarHBondContact O-N 2.84Å; K225-F228 PolarHBondContact O-N 3.32Å; F228-R232 PolarHBondContact O-N 3.44Å
229	R	60.3	Low	57	Low	194 Å²	194	132.1 Å²	132.1	73%	0.732	60%	0.604	S	S	*	*	H	α-helix	trans	-67.7	-44.7	170.9	-77	-178.9	-177.4	-164.1	2.4	111.8	K225 K226 L227 R232 N233	K225-R229 WeakPolarHBondContact O-CG 3.23Å; K225-R229 PolarHBondContact O-N 2.74Å; K226-R229 PolarHBondContact O-N 3.16Å; L227-R229 VanDerWaalsContact C-N 3.32Å; L227-R229 PolarHBondContact O-N 2.94Å; R229-R232 PolarHBondContact O-N 2.93Å; R229-N233 PolarHBondContact O-N 2.92Å
230	R	54.8	Low	55.7	Low	187 Å²	187	136.4 Å²	136.4	71%	0.706	61%	0.609	S	S	*	*	H	α-helix	trans	-57.6	-54.9	173	-84.1	-173.6	167.2	179.7	-4.7	111.6	K226 L227 R232 N233 D234	K226-R230 PolarHBondContact O-N 3.04Å; L227-R230 PolarHBondContact O-N 2.7Å; R230-R232 PolarHBondContact O-N 3.36Å; R230-N233 WeakPolarHBondContact O-CA 3.37Å; R230-N233 PolarHBondContact O-N 2.69Å; R230-D234 PolarHBondContact O-N 2.73Å
231	R	47	Very low	54.1	Low	176 Å²	176	139.3 Å²	139.3	66%	0.664	62%	0.62	S	S	*	*	H	α-helix	trans	-57.7	-19.9	178.9	-174.2	175.6	-79.5	-168.9	-3.4	114.3	L227 D234	L227-R231 PolarHBondContact O-N 3.11Å; R231-D234 WeakPolarHBondContact CA-OD2 3.33Å
232	R	47.5	Very low	52.7	Low	179 Å²	179	141.4 Å²	141.4	68%	0.675	64%	0.636	S	S	*	*	H	α-helix	trans	-85.5	-29.4	171.3	-106.7	-171.9	178.9	109.2	-5.4	114.1	F228 R229 R230	F228-R232 PolarHBondContact O-N 3.44Å; R229-R232 PolarHBondContact O-N 2.93Å; R230-R232 PolarHBondContact O-N 3.36Å
233	N	48.4	Very low	51.1	Low	99 Å²	99	150.6 Å²	150.6	53%	0.529	66%	0.659	S	S	.	*	H	α-helix	trans	-79.4	-36.4	175.8	-80.9	6.2	0	0	0	112	R229 R230 R235 R236 Q237	R229-N233 PolarHBondContact O-N 2.92Å; R230-N233 WeakPolarHBondContact O-CA 3.37Å; R230-N233 PolarHBondContact O-N 2.69Å; N233-R235 PolarHBondContact O-N 2.94Å; N233-R236 WeakPolarHBondContact O-CA 3.35Å; N233-R236 WeakPolarHBondContact O-CB 3.18Å; N233-R236 PolarHBondContact O-N 3.43Å; N233-Q237 PolarHBondContact O-N 3.16Å
234	D	49.3	Very low	49.9	Very low	92 Å²	92	153.3 Å²	153.3	49%	0.492	67%	0.672	S	S	.	*	H	α-helix	trans	-57.2	-39	175.9	-50.2	-31.5	0	0	0	110.8	R230 R231 R236 Q237	R230-D234 PolarHBondContact O-N 2.73Å; R231-D234 WeakPolarHBondContact CA-OD2 3.33Å; D234-R236 VanDerWaalsContact C-N 3.29Å; D234-R236 PolarHBondContact O-N 3.08Å; D234-Q237 PolarHBondContact O-N 3.03Å
235	R	47.1	Very low	48.7	Very low	196 Å²	196	158.9 Å²	158.9	74%	0.74	69%	0.693	S	S	*	*	H	α-helix	trans	-66.7	-21.5	173.2	-76.7	-173.1	171.1	-170.6	-3.5	114.6	N233	N233-R235 PolarHBondContact O-N 2.94Å
236	R	46.8	Very low	46.8	Very low	183 Å²	183	160 Å²	160	69%	0.691	71%	0.705	S	S	*	*	H	α-helix	trans	-89.1	-21.2	177	-68.5	-177.2	-178.1	-164.4	0.6	113.4	N233 D234	N233-R236 WeakPolarHBondContact O-CA 3.35Å; N233-R236 WeakPolarHBondContact O-CB 3.18Å; N233-R236 PolarHBondContact O-N 3.43Å; D234-R236 VanDerWaalsContact C-N 3.29Å; D234-R236 PolarHBondContact O-N 3.08Å
237	Q	38.9	Very low	44.9	Very low	152 Å²	152	158.4 Å²	158.4	71%	0.71	71%	0.708	S	S	*	*	H	α-helix	trans	-74.9	-30.4	173.7	-75.9	-169.4	-30.3	0	0	112.3	N233 D234	N233-Q237 PolarHBondContact O-N 3.16Å; D234-Q237 PolarHBondContact O-N 3.03Å
238	F	37.9	Very low	43.4	Very low	164 Å²	164	160.8 Å²	160.8	72%	0.719	72%	0.719	S	S	*	*	H	α-helix	trans	-68.6	-37.7	177.5	-105.7	-89.8	0	0	0	113.9	H240	F238-H240 PolarHBondContact O-N 2.9Å; F238-H240 VanDerWaalsContact O-N 3.09Å
239	D	40.6	Very low	42.1	Very low	144 Å²	144	162.3 Å²	162.3	77%	0.77	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-12.1	-178.4	-86.7	-29.8	0	0	0	114.3
240	H	38.9	Very low	40.8	Very low	172 Å²	172	159.8 Å²	159.8	80%	0.796	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-3.7	-173.5	-128.7	-49.4	0	0	0	115.6	F238	F238-H240 PolarHBondContact O-N 2.9Å; F238-H240 VanDerWaalsContact O-N 3.09Å
241	F	36.4	Very low	39.9	Very low	192 Å²	192	157 Å²	157	84%	0.842	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	-3.1	-174.9	-115.2	-79.4	0	0	0	116
242	T	40.3	Very low	39.4	Very low	101 Å²	101	155 Å²	155	62%	0.62	75%	0.746	S	S	*	*			trans	-120.4	68.4	178.9	54.3	0	0	0	0	112.6
243	R	39	Very low	39.2	Very low	247 Å²	247	149.4 Å²	149.4	93%	0.932	74%	0.744	S	S	*	*	S	Bend	trans	-134.2	16.5	167	-146.7	-163.5	161.4	121.3	-1.7	115.5
244	E	41	Very low	38.8	Very low	175 Å²	175	151.7 Å²	151.7	82%	0.818	76%	0.764	S	S	*	*	S	Bend	trans	-128.1	142.8	158.8	-70.1	-161	-166.1	0	0	110.5
245	Q	45.6	Very low	38.5	Very low	182 Å²	182	150.3 Å²	150.3	85%	0.85	77%	0.772	S	S	*	*			trans	49.8	84.3	177.1	-56.7	-168.7	26.8	0	0	117.7
246	L	30.9	Very low	37.9	Very low	158 Å²	158	150.1 Å²	150.1	83%	0.827	78%	0.78	S	S	*	*			trans	-123.6	104.9	145.3	-94.3	170.8	0	0	0	109.7
247	T	32.8	Very low	37.4	Very low	118 Å²	118	151.3 Å²	151.3	72%	0.724	79%	0.79	S	S	*	*			trans	-88.7	109.8	170.8	-60.4	0	0	0	0	108.1	L249	T247-L249 HydrophobicContact CG2-CD1 4.39Å; T247-L249 PolarHBondContact O-N 3.21Å
248	I	31.8	Very low	37.2	Very low	143 Å²	143	154.9 Å²	154.9	73%	0.733	80%	0.797	S	S	*	*			trans	-80.1	113.2	175.7	-59.2	177.5	0	0	0	108.6	L250	I248-L250 HydrophobicContact CG2-CD1 3.9Å
249	L	28.8	Very low	36.8	Very low	154 Å²	154	158.7 Å²	158.7	81%	0.806	81%	0.806	S	S	*	*			trans	-79.5	127.1	161.1	-80.7	78.8	0	0	0	108.5	T247	T247-L249 HydrophobicContact CG2-CD1 4.39Å; T247-L249 PolarHBondContact O-N 3.21Å
250	L	32.6	Very low	36.2	Very low	141 Å²	141	158.1 Å²	158.1	74%	0.738	81%	0.808	S	S	*	*			trans	-96.2	144.7	155.2	-109.4	68.5	0	0	0	108.6	I248 T252	I248-L250 HydrophobicContact CG2-CD1 3.9Å; L250-T252 PolarHBondContact O-N 3.45Å
251	P	37.4	Very low	35.8	Very low	130 Å²	130	155.4 Å²	155.4	84%	0.844	81%	0.808	S	S	*	*			trans	-76.4	109	179.7	29.8	-32.5	0	0	0	111.1
252	T	36.1	Very low	35.6	Very low	133 Å²	133	151.5 Å²	151.5	82%	0.816	81%	0.811	S	S	*	*			trans	-107.1	150.1	161.1	52.5	0	0	0	0	110.2	L250	L250-T252 PolarHBondContact O-N 3.45Å
253	G	43.3	Very low	35.2	Very low	61 Å²	61	158.1 Å²	158.1	63%	0.629	83%	0.825	S	S	*	*			trans	-62	170.8	-177.5	0	0	0	0	0	114.7	G255	G253-G255 PolarHBondContact O-N 2.99Å
254	P	39.2	Very low	34.7	Very low	147 Å²	147	157.1 Å²	157.1	96%	0.955	82%	0.821	S	S	*	*	S	Bend	trans	-72	102.5	-169.8	29.4	-35.3	0	0	0	112.1
255	G	44.1	Very low	34.3	Very low	63 Å²	63	157.2 Å²	157.2	65%	0.649	82%	0.821	S	S	*	*			trans	-177.5	104.4	175.8	0	0	0	0	0	115.1	G253	G253-G255 PolarHBondContact O-N 2.99Å
256	E	34.6	Very low	33.7	Very low	193 Å²	193	157 Å²	157	90%	0.902	82%	0.82	S	S	*	*			trans	63.6	169.5	158	-52.9	-154.3	129.9	0	0	119.8
257	K	36.5	Very low	33.5	Very low	207 Å²	207	161 Å²	161	90%	0.9	83%	0.825	S	S	*	*			trans	-129.2	129.3	-172.8	-60.7	171.1	-176.3	170.4	0	110.1
258	R	32.8	Very low	34.1	Very low	228 Å²	228	161.1 Å²	161.1	86%	0.86	83%	0.827	S	S	*	*			trans	-148.3	122.9	160.1	-159.3	169.1	-68.3	-177.9	1.4	111.3
259	R	29.4	Very low	34.2	Very low	243 Å²	243	163.6 Å²	163.6	92%	0.917	84%	0.836	S	S	*	*			trans	-91	139.6	166.5	-78.1	-174.6	169.1	-143.1	-1.1	109
260	V	29.2	Very low	34.4	Very low	132 Å²	132	162 Å²	162	80%	0.8	84%	0.838	S	S	*	*			trans	-134.7	130.9	164.9	-177.9	0	0	0	0	107.8
261	S	31.1	Very low	34.3	Very low	115 Å²	115	159 Å²	159	80%	0.804	84%	0.84	S	S	*	*			trans	-102	128.6	-178.3	-58.2	0	0	0	0	110.6
262	A	30.3	Very low	33.9	Very low	110 Å²	110	157 Å²	157	91%	0.909	84%	0.843	S	S	*	*			trans	-104	119.7	172.6	0	0	0	0	0	110.7
263	R	32.3	Very low	33.6	Very low	240 Å²	240	154.4 Å²	154.4	91%	0.906	84%	0.843	S	S	*	*			trans	-108.8	108.2	-175	-179.8	-175.7	-175.3	-178	2.7	109.3
264	R	29.4	Very low	32.9	Very low	226 Å²	226	155.8 Å²	155.8	85%	0.853	86%	0.858	S	S	*	*			trans	-75.8	131.2	178.8	-166.4	173.3	-172.5	-124.7	3.3	110.9
265	Q	32.2	Very low	32.5	Very low	177 Å²	177	152.6 Å²	152.6	83%	0.827	85%	0.851	S	S	*	*			trans	-88.9	154.1	174	-61.4	174.5	-4.6	0	0	111
266	Q	32.2	Very low	31.8	Very low	177 Å²	177	153.8 Å²	153.8	83%	0.827	86%	0.864	S	S	*	*			trans	-130.7	152.1	153.5	-81.7	-176.8	-41	0	0	108.6
267	R	28.4	Very low	31.6	Very low	244 Å²	244	148.4 Å²	148.4	92%	0.921	86%	0.86	S	S	*	*			trans	-108.6	139.3	-173.3	-160.8	173.1	-173.5	-174.3	1.5	108.9
268	P	44.2	Very low	31.3	Very low	119 Å²	119	142.8 Å²	142.8	77%	0.773	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-86	162.5	-165.3	34.1	-37.6	0	0	0	114.1
269	Q	34.3	Very low	31.1	Very low	195 Å²	195	135.8 Å²	135.8	91%	0.911	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-90.6	150.5	159.4	-74.3	178.4	-31.6	0	0	110.9
270	S	32.3	Very low	31.1	Very low	122 Å²	122	127.7 Å²	127.7	85%	0.853	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-79	158.6	162.3	49.2	0	0	0	0	111.2
271	G	31.7	Very low	31.2	Very low	76 Å²	76	128.7 Å²	128.7	78%	0.784	86%	0.858	S	S	*	*			cis	156.3	138.6	-3.4	0	0	0	0	0	111.9
272	G	28.6	Very low	31.2	Very low	88 Å²	88	127 Å²	127	91%	0.907	86%	0.858	S	S	*	*			trans	92.6	148.1	-177.7	0	0	0	0	0	114.2
273	G	29.7	Very low	31.3	Very low	80 Å²	80	130.8 Å²	130.8	83%	0.825	85%	0.854	S	S	*	*			cis	171.6	121.2	-10	0	0	0	0	0	114.3
274	G	29.4	Very low	31.2	Very low	90 Å²	90	126.5 Å²	126.5	93%	0.928	85%	0.849	S	S	*	*			trans	79	153.8	174.9	0	0	0	0	0	115.7
275	G	30	Very low	31.3	Very low	80 Å²	80	124.3 Å²	124.3	83%	0.825	85%	0.849	S	S	*	*			cis	172.2	133.2	-10.5	0	0	0	0	0	113.6
276	G	29.7	Very low	31.1	Very low	88 Å²	88	120.2 Å²	120.2	91%	0.907	84%	0.839	S	S	*	*			trans	78.1	156.7	176.4	0	0	0	0	0	115.7
277	G	29.8	Very low	31.1	Very low	79 Å²	79	120.8 Å²	120.8	81%	0.814	84%	0.842	S	S	*	*			cis	172.2	134.1	-9.8	0	0	0	0	0	113.2
278	G	29.5	Very low	31.3	Very low	90 Å²	90	118 Å²	118	93%	0.928	84%	0.84	S	S	*	*			trans	78.8	161.2	179.3	0	0	0	0	0	115.1
279	G	29.3	Very low	30.7	Very low	80 Å²	80	120.3 Å²	120.3	83%	0.825	84%	0.843	S	S	*	*			cis	173.5	148.4	-6.9	0	0	0	0	0	111.9
280	G	30.6	Very low	30.5	Very low	74 Å²	74	117.9 Å²	117.9	76%	0.763	83%	0.832	S	S	*	*			trans	86.8	124.4	-175.7	0	0	0	0	0	112.7
281	V	30.1	Very low	30.3	Very low	153 Å²	153	120.4 Å²	120.4	93%	0.927	83%	0.83	S	S	*	*			cis	77.9	96.4	24.3	-166.5	0	0	0	0	114.6
282	G	31.6	Very low	30.2	Very low	78 Å²	78	124.3 Å²	124.3	80%	0.804	83%	0.828	S	S	*	*			trans	-160.7	126.2	164.2	0	0	0	0	0	108.9
283	K	31.9	Very low	30.4	Very low	190 Å²	190	125.3 Å²	125.3	83%	0.826	82%	0.822	S	S	*	*			trans	-113.3	-178.8	-175.9	-73.4	-174.6	177.1	-180	0	111
284	N	29.9	Very low	30.9	Very low	150 Å²	150	127.1 Å²	127.1	80%	0.802	82%	0.818	S	S	*	*			trans	94.5	116.6	169.2	-57.1	0.4	0	0	0	111.5
285	Q	31.1	Very low	30.8	Very low	181 Å²	181	129.9 Å²	129.9	85%	0.846	81%	0.811	S	S	*	*			cis	52.5	132.4	32.1	-77.6	-171	-1.9	0	0	113.7
286	S	28.5	Very low	30.8	Very low	90 Å²	90	133.6 Å²	133.6	63%	0.629	81%	0.807	S	S	*	*			cis	177.5	147.2	-10.1	45.7	0	0	0	0	107.3
287	Q	32.5	Very low	30.6	Very low	190 Å²	190	136.4 Å²	136.4	89%	0.888	80%	0.796	S	S	*	*			trans	-169.8	148.2	143.1	-109.5	156.5	26.4	0	0	112.6
288	Q	33.4	Very low	30.3	Very low	186 Å²	186	142.1 Å²	142.1	87%	0.869	79%	0.793	S	S	*	*			trans	-102.3	148.2	166.7	-60	164.6	-74.3	0	0	108.2
289	I	30.2	Very low	30.1	Very low	166 Å²	166	145.1 Å²	145.1	85%	0.851	79%	0.788	S	S	*	*			trans	-129.3	145.6	152.2	-65.7	-174.8	0	0	0	107.8
290	Q	30	Very low	30.2	Very low	144 Å²	144	148.5 Å²	148.5	67%	0.673	78%	0.783	S	S	*	*			trans	-132.5	135.3	-165.7	176.6	-170.6	29.6	0	0	110.1
291	Q	29.2	Very low	30	Very low	175 Å²	175	151.3 Å²	151.3	82%	0.818	79%	0.785	S	S	*	*			trans	-173.5	116.7	152.5	-99.3	143.8	105.8	0	0	106.2
292	Q	29.9	Very low	30	Very low	159 Å²	159	151.1 Å²	151.1	74%	0.743	77%	0.774	S	S	*	*				81	139	59.9	-70.5	-167.2	23.8	0	0	114.2
293	S	31.8	Very low	29.9	Very low	109 Å²	109	154.5 Å²	154.5	76%	0.762	77%	0.769	S	S	*	*			trans	-138.1	151.3	-174.1	-43.7	0	0	0	0	110.7
294	P	40.9	Very low	29.7	Very low	117 Å²	117	154.1 Å²	154.1	76%	0.76	77%	0.77	S	S	*	*			trans	-110	148	149.4	-2.4	24.6	0	0	0	110.1
295	L	27.7	Very low	30.7	Very low	149 Å²	149	152.3 Å²	152.3	78%	0.78	77%	0.767	S	S	*	*			cis	70.1	127.6	44	-57.8	171.8	0	0	0	112.5
296	Q	29.5	Very low	31.1	Very low	158 Å²	158	150.1 Å²	150.1	74%	0.738	77%	0.768	S	S	*	*			cis	-131.9	-147.8	3	-132.4	153	-95.8	0	0	109.2
297	H	26.2	Very low	31	Very low	146 Å²	146	152.1 Å²	152.1	68%	0.676	77%	0.772	S	S	*	*			cis	-146.9	-157.3	9	-155	-98.7	0	0	0	110.5
298	W	22.5	Very low	30.8	Very low	199 Å²	199	150.1 Å²	150.1	75%	0.754	76%	0.762	S	S	*	*			trans	-136.4	158.7	170.4	-99.7	87.5	0	0	0	110.2
299	D	25.2	Very low	30.5	Very low	153 Å²	153	149.2 Å²	149.2	82%	0.818	76%	0.758	S	S	*	*			trans	-159.3	169.1	136.4	-126.6	-44.4	0	0	0	113.4
300	Q	31.6	Very low	30.3	Very low	152 Å²	152	148.3 Å²	148.3	71%	0.71	75%	0.75	S	S	*	*			trans	-153.1	121.2	-162.5	-177.2	-174.9	120.1	0	0	114.7
301	T	26.8	Very low	30.1	Very low	132 Å²	132	150.2 Å²	150.2	81%	0.81	76%	0.757	S	S	*	*			trans	-143.3	111.8	179.3	-36.1	0	0	0	0	115.9
302	Q	30	Very low	29.8	Very low	150 Å²	150	148 Å²	148	70%	0.701	75%	0.75	S	S	*	*			trans	21.4	137.4	145.6	-61.1	-76.4	13.2	0	0	124.5
303	Q	29.4	Very low	29.6	Very low	148 Å²	148	146.9 Å²	146.9	69%	0.692	75%	0.749	S	S	*	*			trans	76	110.5	132.7	-77.2	166.5	49.7	0	0	125.1
304	Q	27.9	Very low	29.4	Very low	183 Å²	183	147.6 Å²	147.6	86%	0.855	75%	0.749	S	S	*	*				63.8	153.7	129	-79.6	-169.6	-18.7	0	0	123.4
305	P	50.6	Low	28.7	Very low	112 Å²	112	148 Å²	148	73%	0.727	75%	0.745	S	S	*	*			trans	-110.4	171.2	-170.7	42.8	-34.8	0	0	0	114.8
306	P	38.7	Very low	28.6	Very low	135 Å²	135	149.2 Å²	149.2	88%	0.877	75%	0.746	S	S	*	*			trans	-125.2	-177.2	155.2	38.7	-26.6	0	0	0	114.5
307	N	26.4	Very low	28.4	Very low	132 Å²	132	144.8 Å²	144.8	71%	0.706	74%	0.743	S	S	*	*			trans	-105.8	155.3	-156.6	-127.1	-7.1	0	0	0	114
308	Q	28.5	Very low	28.7	Very low	147 Å²	147	145.3 Å²	145.3	69%	0.687	75%	0.751	S	S	*	*			trans	64.1	155.4	137.6	-72.8	172	13	0	0	123.5
309	Q	27.1	Very low	28.9	Very low	168 Å²	168	141.1 Å²	141.1	79%	0.785	74%	0.743	S	S	*	*			trans	66.1	160.8	160.5	-72.3	168.8	-11.5	0	0	117.9
310	E	26.9	Very low	29.4	Very low	146 Å²	146	144.3 Å²	144.3	68%	0.682	74%	0.744	S	S	*	*			cis	-170.1	178.2	-36	-169.8	162.3	163.9	0	0	105.9
311	F	24.8	Very low	29.5	Very low	184 Å²	184	143.2 Å²	143.2	81%	0.807	74%	0.743	S	S	*	*			trans	68.4	163.2	-178.9	-65.5	-103.7	0	0	0	115.8
312	N	24.1	Very low	29.8	Very low	128 Å²	128	143.7 Å²	143.7	68%	0.684	74%	0.735	S	S	*	*			cis	166.8	155.2	-44.8	-114.4	-38.4	0	0	0	107.7
313	L	25.7	Very low	29.9	Very low	136 Å²	136	142.9 Å²	142.9	71%	0.712	74%	0.736	S	S	*	*			trans	74.3	120.8	152.9	-106.6	74.3	0	0	0	121.5
314	T	26.2	Very low	30.1	Very low	125 Å²	125	140.4 Å²	140.4	77%	0.767	74%	0.741	S	S	*	*			trans	64.3	154.4	136.2	47.3	0	0	0	0	120.4
315	D	26.2	Very low	30	Very low	125 Å²	125	135.1 Å²	135.1	67%	0.668	74%	0.735	S	S	*	*			cis	-169.7	170.4	-16.1	178.7	32.2	0	0	0	108.6
316	Q	25.6	Very low	29.2	Very low	174 Å²	174	141.2 Å²	141.2	81%	0.813	74%	0.744	S	S	*	*			trans	66.1	148.3	169.8	-70.6	151	60.2	0	0	118
317	G	26.3	Very low	30.4	Very low	65 Å²	65	140.3 Å²	140.3	67%	0.67	74%	0.738	S	S	*	*			cis	173.6	157.6	-8	0	0	0	0	0	114.3
318	D	31.7	Very low	31.9	Very low	158 Å²	158	139.9 Å²	139.9	85%	0.845	74%	0.743	S	S	*	*			trans	64.5	159.4	167.4	-75.2	-32.7	0	0	0	118.7
319	N	28.1	Very low	32.3	Very low	111 Å²	111	142.5 Å²	142.5	59%	0.594	75%	0.746	S	S	*	*			cis	-155.9	135.4	20.3	-148.1	-33.8	0	0	0	114.4
320	R	35	Very low	32.6	Very low	220 Å²	220	141.3 Å²	141.3	83%	0.83	74%	0.741	S	S	*	*			trans	55.6	147.1	156.6	-77.9	162.4	-171.6	-178.6	0	119.2
321	N	33.2	Very low	32.7	Very low	129 Å²	129	139.3 Å²	139.3	69%	0.69	73%	0.731	S	S	*	*			cis	-160.4	-176.7	14.4	-140.2	9.9	0	0	0	108.9
322	H	34.3	Very low	33.1	Very low	141 Å²	141	139.6 Å²	139.6	65%	0.653	74%	0.735	S	S	*	*			cis	-148	-81.3	0.3	-163.4	5	0	0	0	115.9
323	N	32	Very low	33.4	Very low	133 Å²	133	137.1 Å²	137.1	71%	0.711	74%	0.739	S	S	*	*			trans	-152.6	159.7	-155.9	-87.2	-11.6	0	0	0	112
324	A	32.5	Very low	33.5	Very low	97 Å²	97	134.3 Å²	134.3	80%	0.802	74%	0.743	S	S	*	*			cis	-175.5	160.6	-20.3	0	0	0	0	0	108.4
325	G	27.3	Very low	33.7	Very low	71 Å²	71	137.4 Å²	137.4	73%	0.732	75%	0.749	S	S	*	*			cis	161.6	133.1	-12.1	0	0	0	0	0	114.9
326	R	33.1	Very low	34	Very low	241 Å²	241	136.4 Å²	136.4	91%	0.909	76%	0.758	S	S	*	*			trans	76.2	123.1	158.2	-68	-175	168.8	-85.8	-2.7	122
327	P	62.6	Low	34.1	Very low	115 Å²	115	131.4 Å²	131.4	75%	0.747	75%	0.753	S	S	*	*			trans	-102.5	166.5	140.7	37.8	-31.7	0	0	0	112.6
328	P	59.3	Low	35.3	Very low	124 Å²	124	134.1 Å²	134.1	81%	0.805	76%	0.759	S	S	*	*			trans	-104.4	163.9	165.3	38.9	-32.3	0	0	0	112.2
329	R	36.5	Very low	35.1	Very low	201 Å²	201	138.9 Å²	138.9	76%	0.758	77%	0.765	S	S	*	*			cis	-130.4	-121	-7.3	-154.9	-177.2	168.7	129.4	-5.4	110.9	H331	R329-H331 VanDerWaalsContact CZ-CE1 3.48Å; R329-H331 PolarHBondContact NE-CE1 2.93Å; R329-H331 PolarHBondContact NE-NE2 3.44Å; R329-H331 PolarHBondContact NH2-CE1 3.05Å; R329-H331 VanDerWaalsContact NH2-CE1 3.34Å; R329-H331 PolarHBondContact NH2-NE2 3.28Å
330	Q	32.5	Very low	35.4	Very low	144 Å²	144	143.1 Å²	143.1	67%	0.673	78%	0.781	S	S	*	*			cis	-139.3	-142.4	0.2	-142.3	-76.4	97.4	0	0	108.3
331	H	30.3	Very low	35.1	Very low	103 Å²	103	136.7 Å²	136.7	48%	0.477	78%	0.784	S	S	.	*			trans	-141.6	168.2	177.4	-35.2	99.6	0	0	0	108.4	R329	R329-H331 VanDerWaalsContact CZ-CE1 3.48Å; R329-H331 PolarHBondContact NE-CE1 2.93Å; R329-H331 PolarHBondContact NE-NE2 3.44Å; R329-H331 PolarHBondContact NH2-CE1 3.05Å; R329-H331 VanDerWaalsContact NH2-CE1 3.34Å; R329-H331 PolarHBondContact NH2-NE2 3.28Å
332	Q	33.3	Very low	34.8	Very low	190 Å²	190	134.1 Å²	134.1	89%	0.888	79%	0.787	S	S	*	*			cis	-166.6	165.9	13.6	-143.6	159.4	-9.4	0	0	107.1
333	G	29.5	Very low	35.4	Very low	76 Å²	76	133.1 Å²	133.1	78%	0.784	79%	0.793	S	S	*	*			cis	138.5	81.7	-7.1	0	0	0	0	0	113.7
334	G	28.3	Very low	35.3	Very low	77 Å²	77	131.8 Å²	131.8	79%	0.794	80%	0.795	S	S	*	*			trans	-175.1	133.9	-178	0	0	0	0	0	117.7
335	H	30.3	Very low	35.2	Very low	191 Å²	191	134.7 Å²	134.7	88%	0.884	79%	0.791	S	S	*	*			trans	-47.4	162.2	-174.5	-58.6	-93.3	0	0	0	123
336	A	32.2	Very low	35.4	Very low	103 Å²	103	139.9 Å²	139.9	85%	0.851	80%	0.796	S	S	*	*			trans	77.1	144.5	144.3	0	0	0	0	0	121.5
337	G	27.1	Very low	35.1	Very low	70 Å²	70	131.4 Å²	131.4	72%	0.722	78%	0.783	S	S	*	*			trans	-124.6	-149.8	159.9	0	0	0	0	0	109.3
338	P	51.7	Low	33.3	Very low	122 Å²	122	136.6 Å²	136.6	79%	0.792	79%	0.79	S	S	*	*			cis	-128.6	156.7	-13.5	39.7	-26.3	0	0	0	113.4
339	R	28.2	Very low	32	Very low	258 Å²	258	135.6 Å²	135.6	97%	0.974	79%	0.786	S	S	*	*			trans	-173.6	174.4	151.2	-110.4	160.7	-170.4	-132.5	-0.9	114.2
340	Q	34.3	Very low	31.8	Very low	200 Å²	200	134.8 Å²	134.8	94%	0.935	79%	0.79	S	S	*	*			trans	-74.7	156.3	-175.5	-58.8	175.5	-3.4	0	0	113.5
341	G	28.7	Very low	31.7	Very low	85 Å²	85	135.7 Å²	135.7	88%	0.876	80%	0.799	S	S	*	*			trans	142.5	134.6	162.5	0	0	0	0	0	114
342	G	27.5	Very low	31.7	Very low	74 Å²	74	141.8 Å²	141.8	76%	0.763	82%	0.818	S	S	*	*			trans	-136.3	-163.1	158.8	0	0	0	0	0	108.5
343	P	46.3	Very low	31.5	Very low	121 Å²	121	143.3 Å²	143.3	79%	0.786	82%	0.816	S	S	*	*			cis	-127.8	172	-16.5	40.5	-27.4	0	0	0	112.6
344	S	30.1	Very low	31.3	Very low	105 Å²	105	150.6 Å²	150.6	73%	0.734	82%	0.82	S	S	*	*			trans	-176.3	137.9	152.4	-88.7	0	0	0	0	114.9
345	H	30.1	Very low	31.4	Very low	157 Å²	157	154.8 Å²	154.8	73%	0.727	82%	0.818	S	S	*	*			trans	29.8	144.4	139	-58.7	-72.6	0	0	0	121.9
346	H	31.7	Very low	31.2	Very low	181 Å²	181	153.5 Å²	153.5	84%	0.838	81%	0.812	S	S	*	*			cis	-141.4	169.1	1.3	-79.3	-76.8	0	0	0	107.8
347	G	26	Very low	30.8	Very low	62 Å²	62	155.9 Å²	155.9	64%	0.639	81%	0.811	S	S	*	*			cis	132.5	139.9	0.2	0	0	0	0	0	112
348	Y	26.5	Very low	30.9	Very low	225 Å²	225	159 Å²	159	88%	0.882	81%	0.807	S	S	*	*			trans	-168	143.2	153.5	-118.9	-78.8	0	0	0	110
349	S	30.4	Very low	29.7	Very low	103 Å²	103	164.1 Å²	164.1	72%	0.72	81%	0.81	S	S	*	*			trans	-152.9	140.9	-179.8	62.9	0	0	0	0	112
350	H	33.9	Very low	29.5	Very low	183 Å²	183	155.6 Å²	155.6	85%	0.847	80%	0.802	S	S	*	*			trans	-136.6	108.5	162.4	-84.6	-56.7	0	0	0	110.5
351	N	30.2	Very low	29.3	Very low	163 Å²	163	156.1 Å²	156.1	87%	0.872	81%	0.805	S	S	*	*			trans	-118.2	125.7	170.5	-151.7	8.5	0	0	0	107.2
352	R	30.3	Very low	29.2	Very low	232 Å²	232	155.6 Å²	155.6	88%	0.875	80%	0.799	S	S	*	*			trans	-93.3	120.4	178.3	-85.6	-157.7	-93	-159.6	-5	110.2
353	R	28.5	Very low	29.2	Very low	222 Å²	222	160 Å²	160	84%	0.838	80%	0.8	S	S	*	*			trans	-117.2	119.6	172.4	-165.5	178.4	-163.4	-127.7	1.9	108.8
354	W	26.2	Very low	28.3	Very low	229 Å²	229	163 Å²	163	87%	0.867	80%	0.803	S	S	*	*			trans	-83	135.7	169.5	-70.8	94.1	0	0	0	109.4
355	H	28.9	Very low	28.4	Very low	165 Å²	165	165.6 Å²	165.6	76%	0.764	80%	0.804	S	S	*	*			trans	-154.7	146.9	144.4	-98.8	-68.8	0	0	0	111.5
356	H	26.7	Very low	28.3	Very low	164 Å²	164	163.1 Å²	163.1	76%	0.759	80%	0.8	S	S	*	*			trans	-34.4	152	174.4	-144.6	76.7	0	0	0	117.1
357	N	23.6	Very low	28.1	Very low	153 Å²	153	161.9 Å²	161.9	82%	0.818	80%	0.799	S	S	*	*			trans	-140	144.9	168	-165.3	5.8	0	0	0	110.5
358	Q	28.7	Very low	28.4	Very low	135 Å²	135	163.3 Å²	163.3	63%	0.631	81%	0.806	S	S	*	*			trans	-148.7	133.8	179.8	-150.9	-160.3	100.6	0	0	111.6
359	R	26.2	Very low	28.5	Very low	229 Å²	229	158 Å²	158	86%	0.864	81%	0.808	S	S	*	*			trans	70.2	147.7	174.3	-55.6	178.4	174.4	-113.3	-1.8	117.9
360	G	25.6	Very low	28.4	Very low	79 Å²	79	157 Å²	157	81%	0.814	81%	0.814	S	S	*	*			trans	149.8	112.4	160.5	0	0	0	0	0	113.6
361	Q	28.7	Very low	28.2	Very low	211 Å²	211	154.7 Å²	154.7	99%	0.986	81%	0.808	S	S	*	*			trans	-87.4	158.2	-178.9	-66.1	165	-56.6	0	0	113.1
362	G	27	Very low	28.5	Very low	74 Å²	74	154.5 Å²	154.5	76%	0.763	80%	0.799	S	S	*	*			trans	152.7	77.1	173.7	0	0	0	0	0	111.1
363	H	27.8	Very low	28.3	Very low	167 Å²	167	152.3 Å²	152.3	77%	0.773	80%	0.799	S	S	*	*				81.7	91.4	66.8	-163.5	107.8	0	0	0	113.3
364	E	26.3	Very low	28.3	Very low	184 Å²	184	146.2 Å²	146.2	86%	0.86	80%	0.796	S	S	*	*			trans	-161.3	158.4	147.7	-117.5	167.8	-167.3	0	0	112.1
365	Q	32.9	Very low	28.4	Very low	160 Å²	160	140.8 Å²	140.8	75%	0.748	79%	0.793	S	S	*	*			trans	-78.1	170.1	-153.1	-55.4	167.4	11.9	0	0	113.6
366	T	27.7	Very low	29.3	Very low	104 Å²	104	138.2 Å²	138.2	64%	0.638	79%	0.791	S	S	*	*			cis	-164.4	157.5	47.4	51.3	0	0	0	0	113.6
367	N	28.7	Very low	29.3	Very low	155 Å²	155	139.7 Å²	139.7	83%	0.829	80%	0.795	S	S	*	*			trans	62.1	143.2	153.6	-55.7	-23.1	0	0	0	119.2
368	A	31.3	Very low	29.4	Very low	93 Å²	93	138.1 Å²	138.1	77%	0.769	79%	0.791	S	S	*	*			cis	-155.5	160.2	11.3	0	0	0	0	0	114.2
369	A	28.8	Very low	29.4	Very low	112 Å²	112	137.8 Å²	137.8	93%	0.926	80%	0.799	S	S	*	*			trans	16.3	134	157.6	0	0	0	0	0	123.8
370	G	29.2	Very low	29.6	Very low	83 Å²	83	135.9 Å²	135.9	86%	0.856	80%	0.797	S	S	*	*			trans	-179.9	128.1	162.1	0	0	0	0	0	112.3
371	D	29.7	Very low	29.8	Very low	135 Å²	135	140 Å²	140	72%	0.722	80%	0.801	S	S	*	*			trans	-108.8	160.1	-155.3	-161	19.3	0	0	0	116.1
372	K	35	Very low	30	Very low	158 Å²	158	137.5 Å²	137.5	69%	0.687	79%	0.786	S	S	*	*			trans	64.3	102	161.9	-72.4	177.8	-179.4	74.3	0	123.9
373	E	27.7	Very low	30.2	Very low	187 Å²	187	140.6 Å²	140.6	87%	0.874	78%	0.781	S	S	*	*				58	145	102.4	-156.2	171.2	-154.3	0	0	124.2
374	A	28.5	Very low	30.3	Very low	94 Å²	94	137.7 Å²	137.7	78%	0.777	78%	0.775	S	S	*	*			trans	86.8	151.1	159.9	0	0	0	0	0	121.3
375	S	27.1	Very low	30.3	Very low	114 Å²	114	136.4 Å²	136.4	80%	0.797	77%	0.769	S	S	*	*			trans	-143.8	-167	-177.1	-34.3	0	0	0	0	108.8
376	P	47.9	Very low	30.1	Very low	112 Å²	112	134.7 Å²	134.7	73%	0.727	76%	0.764	S	S	*	*			cis	-130.2	178.9	-26.4	40.3	-26.2	0	0	0	112.8
377	K	26.8	Very low	30.1	Very low	194 Å²	194	135.7 Å²	135.7	84%	0.843	77%	0.769	S	S	*	*			trans	-171.3	139.8	143	-111.1	158.9	-173.8	173.1	0	116.3
378	T	26.2	Very low	30	Very low	120 Å²	120	138.9 Å²	138.9	74%	0.736	77%	0.77	S	S	*	*			trans	12.9	139.7	145.7	58.5	0	0	0	0	119.7
379	T	29.1	Very low	29.7	Very low	129 Å²	129	140.6 Å²	140.6	79%	0.791	77%	0.77	S	S	*	*				-150.8	129.2	52.4	38.6	0	0	0	0	112.5
380	K	29.4	Very low	29.6	Very low	188 Å²	188	139.6 Å²	139.6	82%	0.817	76%	0.757	S	S	*	*				82.4	88.6	85.7	-168.3	-156.3	174.2	-172.1	0	113.9
381	D	28.9	Very low	29.6	Very low	167 Å²	167	142.3 Å²	142.3	89%	0.893	75%	0.751	S	S	*	*			trans	-122.1	157.1	153.5	-118.1	-40.1	0	0	0	109.6
382	K	34	Very low	29.6	Very low	158 Å²	158	143.5 Å²	143.5	69%	0.687	75%	0.753	S	S	*	*			trans	-153.2	121	-176.5	-117.2	-176.9	177.8	-96.9	0	114.1
383	Q	30.4	Very low	29.4	Very low	139 Å²	139	143.4 Å²	143.4	65%	0.65	75%	0.754	S	S	*	*			trans	64.6	110.2	135.9	-75	-167.9	-90.9	0	0	118.8
384	T	30.3	Very low	29.4	Very low	106 Å²	106	141.5 Å²	141.5	65%	0.65	75%	0.749	S	S	*	*				68	148.4	78	64.1	0	0	0	0	114.2
385	E	26.5	Very low	29.3	Very low	156 Å²	156	148.3 Å²	148.3	73%	0.729	75%	0.754	S	S	*	*			cis	168.2	178.2	-12.5	-167.2	-168	145.9	0	0	105.5
386	I	28.6	Very low	30	Very low	125 Å²	125	148.3 Å²	148.3	64%	0.641	75%	0.752	S	S	*	*			trans	71	112.4	161.7	-55.1	175.1	0	0	0	115.3
387	V	28	Very low	29.9	Very low	124 Å²	124	148.1 Å²	148.1	75%	0.752	75%	0.751	S	S	*	*				90.9	121	50.8	170.3	0	0	0	0	115.2
388	R	27.2	Very low	29.9	Very low	222 Å²	222	148.3 Å²	148.3	84%	0.838	75%	0.754	S	S	*	*			trans	157	142.9	154.2	-85.7	153.3	-164	-172.1	5.2	110.1
389	V	25.4	Very low	29.9	Very low	129 Å²	129	149.9 Å²	149.9	78%	0.782	76%	0.758	S	S	*	*			cis	84.6	123.3	40.8	167.4	0	0	0	0	112.1
390	S	25.7	Very low	29.7	Very low	92 Å²	92	149.5 Å²	149.5	64%	0.643	76%	0.759	S	S	*	*			cis	-165.1	-172.6	-0.9	-103	0	0	0	0	113.2
391	D	28.5	Very low	29.6	Very low	139 Å²	139	147.1 Å²	147.1	74%	0.743	76%	0.756	S	S	*	*			trans	80.8	122.8	159.4	-56.4	-26.6	0	0	0	118.9
392	E	30.6	Very low	30	Very low	161 Å²	161	147.6 Å²	147.6	75%	0.752	75%	0.752	S	S	*	*				84.4	141.7	78	-64.7	-141.3	120.8	0	0	114.1
393	H	30.6	Very low	29.8	Very low	155 Å²	155	151.7 Å²	151.7	72%	0.718	76%	0.763	S	S	*	*			cis	-159.4	-173.4	3.6	-144.6	88.8	0	0	0	111.9
394	I	28.3	Very low	29.9	Very low	147 Å²	147	150 Å²	150	75%	0.754	77%	0.767	S	S	*	*			trans	105.3	93.5	157.3	-48.9	-176.4	0	0	0	120.7
395	R	26.7	Very low	30.7	Very low	237 Å²	237	151.4 Å²	151.4	89%	0.894	78%	0.778	S	S	*	*			trans	66.9	155.4	138	-73	-167.3	171.6	-172.6	-1.8	125.9
396	P	41.9	Very low	31	Very low	114 Å²	114	151.2 Å²	151.2	74%	0.74	78%	0.782	S	S	*	*			trans	-131.3	-144.9	-169	47.3	-27.3	0	0	0	112.2
397	P	44.7	Very low	30.9	Very low	109 Å²	109	153.6 Å²	153.6	71%	0.708	79%	0.79	S	S	*	*			cis	-125.2	178.5	-34.2	40	-25.9	0	0	0	113.4
398	Q	26	Very low	31.1	Very low	197 Å²	197	153.2 Å²	153.2	92%	0.921	79%	0.793	S	S	*	*			trans	-170.1	145.2	148.2	-115.7	167	6	0	0	116
399	D	26.8	Very low	32.3	Very low	153 Å²	153	147.8 Å²	147.8	82%	0.818	79%	0.787	S	S	*	*			trans	-102.8	159.8	173.9	-58.1	-82.8	0	0	0	113
400	C	25.1	Very low	32.7	Very low	121 Å²	121	148.9 Å²	148.9	82%	0.818	79%	0.788	S	S	*	*			trans	173.3	163.9	152.3	-97	0	0	0	0	112.1
401	N	28.2	Very low	33	Very low	139 Å²	139	150.3 Å²	150.3	74%	0.743	80%	0.798	S	S	*	*			cis	-168.5	175.8	-41.3	-129.5	-50	0	0	0	110.8
402	H	37.2	Very low	33.1	Very low	176 Å²	176	148.6 Å²	148.6	82%	0.815	80%	0.803	S	S	*	*			trans	-79.5	156.3	177.4	-66.7	-93.4	0	0	0	115.1
403	R	28.4	Very low	34.1	Very low	245 Å²	245	147 Å²	147	93%	0.925	81%	0.807	S	S	*	*				156.1	152.8	111.2	-158.7	168.7	-155.5	-165.8	5.3	115
404	S	32.8	Very low	34	Very low	104 Å²	104	145.6 Å²	145.6	73%	0.727	81%	0.809	S	S	*	*			trans	-88.4	173.5	-178.4	-27.7	0	0	0	0	115.3
405	P	47	Very low	35.2	Very low	135 Å²	135	144.7 Å²	144.7	88%	0.877	81%	0.813	S	S	*	*				-140	-142.2	113.2	39.9	-25.1	0	0	0	115.5
406	N	32.7	Very low	35.7	Very low	151 Å²	151	138.9 Å²	138.9	81%	0.807	81%	0.808	S	S	*	*			trans	-147	178.9	-136.9	-165.4	29.2	0	0	0	116.8
407	E	26.9	Very low	35.3	Very low	176 Å²	176	137.9 Å²	137.9	82%	0.822	81%	0.81	S	S	*	*			trans	95.2	168.1	160	-59.7	-168.2	87.9	0	0	122.1
408	S	32.2	Very low	34.5	Very low	116 Å²	116	139.5 Å²	139.5	81%	0.811	82%	0.818	S	S	*	*			trans	-121.4	-156.6	-154.7	-48.5	0	0	0	0	112.7
409	P	52.9	Low	34.5	Very low	108 Å²	108	135 Å²	135	70%	0.701	81%	0.814	S	S	*	*			cis	-146.3	173.2	-5.3	44.2	-24.2	0	0	0	120.3
410	N	33.6	Very low	34.7	Very low	152 Å²	152	135.4 Å²	135.4	81%	0.813	82%	0.815	S	S	*	*			trans	76.4	141.8	137.6	-76.4	-7.2	0	0	0	128.4
411	S	31.7	Very low	35.6	Very low	122 Å²	122	135.7 Å²	135.7	85%	0.853	82%	0.816	S	S	*	*			trans	88.7	130.8	145.1	-63.5	0	0	0	0	123.4
412	A	30.9	Very low	35.4	Very low	103 Å²	103	135.6 Å²	135.6	85%	0.851	82%	0.815	S	S	*	*			trans	-159.4	158.7	170	0	0	0	0	0	114.4
413	P	52.6	Low	35.9	Very low	127 Å²	127	131.9 Å²	131.9	83%	0.825	81%	0.807	S	S	*	*			trans	-125.6	-171.4	-176.6	43.2	-30.2	0	0	0	117.3
414	T	28.5	Very low	35.9	Very low	126 Å²	126	126.3 Å²	126.3	77%	0.773	80%	0.8	S	S	*	*			trans	-138.1	171.6	-179.5	-19.9	0	0	0	0	112.2
415	P	52.9	Low	35.7	Very low	128 Å²	128	126.6 Å²	126.6	83%	0.831	80%	0.798	S	S	*	*				-156	-165.4	95.2	41	-19.4	0	0	0	116.8
416	S	36.8	Very low	34.7	Very low	114 Å²	114	127 Å²	127	80%	0.797	79%	0.792	S	S	*	*			trans	-144.5	168.7	-166.6	-39.1	0	0	0	0	114.7
417	A	32.8	Very low	34.5	Very low	93 Å²	93	127.7 Å²	127.7	77%	0.769	79%	0.788	S	S	*	*			trans	167.5	144.8	135.5	0	0	0	0	0	119.9
418	T	29	Very low	34.6	Very low	144 Å²	144	127.5 Å²	127.5	88%	0.883	79%	0.787	S	S	*	*			trans	81.2	141	145.3	14.4	0	0	0	0	127.6
419	A	24.7	Very low	34.5	Very low	101 Å²	101	126.3 Å²	126.3	84%	0.835	78%	0.779	S	S	*	*			trans	103.7	152.5	148.2	0	0	0	0	0	121.7
420	L	31.9	Very low	33.6	Very low	162 Å²	162	129.3 Å²	129.3	85%	0.848	79%	0.788	S	S	*	*			trans	-148.9	156.3	-166.2	-102.6	173.8	0	0	0	110.7
421	P	43.1	Very low	33.1	Very low	127 Å²	127	127.8 Å²	127.8	83%	0.825	79%	0.79	S	S	*	*				-150.5	178	77.8	40.7	-20.6	0	0	0	118.2
422	D	25.3	Very low	32.9	Very low	137 Å²	137	130 Å²	130	73%	0.733	79%	0.789	S	S	*	*			trans	-98.7	-172	179.7	-144	20	0	0	0	110.6
423	P	46.9	Very low	33.2	Very low	98 Å²	98	132.4 Å²	132.4	64%	0.636	79%	0.786	S	S	*	*			cis	-145.9	157.3	18	43	-22	0	0	0	121.3
424	T	27.8	Very low	32.4	Very low	129 Å²	129	132.7 Å²	132.7	79%	0.791	79%	0.788	S	S	*	*			trans	-172.7	105.7	130.9	23.3	0	0	0	0	110.1
425	V	28.4	Very low	32.6	Very low	110 Å²	110	132 Å²	132	67%	0.667	79%	0.789	S	S	*	*				57.3	122.3	79	174.8	0	0	0	0	113
426	N	28.1	Very low	31.3	Very low	143 Å²	143	137.6 Å²	137.6	77%	0.765	79%	0.793	S	S	*	*			cis	-170.5	162.7	-8.1	-105.8	-16	0	0	0	107.8
427	K	28.2	Very low	31.3	Very low	165 Å²	165	141.2 Å²	141.2	72%	0.717	79%	0.794	S	S	*	*			cis	-163	149.4	-15.8	173.8	177.1	-178.1	-151.3	0	108.9	S429	K427-S429 WeakPolarHBondContact CE-OG 3.49Å; K427-S429 PolarHBondContact NZ-OG 3.08Å; K427-S429 VanDerWaalsContact NZ-OG 3.13Å
428	E	28.6	Very low	31	Very low	172 Å²	172	143.1 Å²	143.1	80%	0.804	80%	0.796	S	S	*	*			trans	-109.9	152.4	167	-169.5	-172.6	166.2	0	0	111.6
429	S	29	Very low	31	Very low	91 Å²	91	141 Å²	141	64%	0.636	79%	0.787	S	S	*	*			trans	-174.2	131.9	156.9	-75.8	0	0	0	0	114.3	K427	K427-S429 WeakPolarHBondContact CE-OG 3.49Å; K427-S429 PolarHBondContact NZ-OG 3.08Å; K427-S429 VanDerWaalsContact NZ-OG 3.13Å
430	L	34.9	Very low	31.2	Very low	171 Å²	171	143.3 Å²	143.3	90%	0.895	79%	0.785	S	S	*	*			trans	-83.9	163.7	153.2	-73	158.8	0	0	0	110.6
431	S	23	Very low	31.4	Very low	121 Å²	121	139.1 Å²	139.1	85%	0.846	78%	0.781	S	S	*	*			trans	-156.2	163	162.2	65.9	0	0	0	0	112.7
432	M	27.1	Very low	30.9	Very low	169 Å²	169	141.9 Å²	141.9	83%	0.833	78%	0.783	S	S	*	*			trans	-136.6	130.2	-175.2	-88.8	-79.5	-173	0	0	111.7
433	L	36.6	Very low	31.4	Very low	153 Å²	153	139.9 Å²	139.9	80%	0.801	79%	0.785	S	S	*	*			trans	63.4	146.8	156.5	-76	159.3	0	0	0	117.6
434	P	36.9	Very low	30.9	Very low	132 Å²	132	142 Å²	142	86%	0.857	79%	0.787	S	S	*	*				-140.7	-165.2	60.1	39.2	-18.4	0	0	0	115.9
435	S	31.8	Very low	31.7	Very low	113 Å²	113	142.2 Å²	142.2	79%	0.79	78%	0.779	S	S	*	*			trans	-115.9	146	-161.4	171.1	0	0	0	0	115.9
436	R	27	Very low	32.7	Very low	244 Å²	244	142.4 Å²	142.4	92%	0.921	78%	0.782	S	S	*	*			trans	-157	144.8	150.3	-159.7	163	177.2	156.8	-2.4	113.2
437	K	35.7	Very low	34.2	Very low	191 Å²	191	143.5 Å²	143.5	83%	0.83	78%	0.776	S	S	*	*			trans	-64.1	170.3	-179.2	-46.5	175.2	-178.9	-177.7	0	113.1
438	V	27.8	Very low	36.4	Very low	132 Å²	132	136.7 Å²	136.7	80%	0.8	75%	0.748	S	S	*	*			cis	-157.7	161.1	30.8	-172.6	0	0	0	0	110.6
439	S	28.5	Very low	39.1	Very low	99 Å²	99	133.2 Å²	133.2	69%	0.692	74%	0.742	S	S	*	*			trans	72	150	170.4	-109.2	0	0	0	0	116.5
440	D	29.6	Very low	42	Very low	151 Å²	151	129.2 Å²	129.2	81%	0.807	71%	0.714	S	S	*	*			cis	-133.1	172.1	9.5	-131.9	-68.9	0	0	0	114	Q442	D440-Q442 PolarHBondContact O-N 2.89Å
441	G	36	Very low	44.8	Very low	73 Å²	73	123.5 Å²	123.5	75%	0.753	68%	0.684	S	S	*	*			trans	-86.1	99.3	-164.9	0	0	0	0	0	116.4
442	Q	31.5	Very low	48	Very low	186 Å²	186	123.8 Å²	123.8	87%	0.869	67%	0.672	S	S	*	*			trans	-91.6	135.9	148.3	-79.2	-172.9	-108.5	0	0	109.8	D440 E444	D440-Q442 PolarHBondContact O-N 2.89Å; Q442-E444 PolarHBondContact O-N 3.11Å
443	A	36.5	Very low	51	Low	94 Å²	94	117 Å²	117	78%	0.777	64%	0.641	S	S	*	*			trans	-70	111.3	162.9	0	0	0	0	0	108.2	Q445	A443-Q445 PolarHBondContact O-N 3.21Å; A443-Q445 VanDerWaalsContact O-N 3.15Å
444	E	37	Very low	53.7	Low	144 Å²	144	109.7 Å²	109.7	67%	0.673	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-60.7	118	170.8	-75.4	-161.4	98.8	0	0	109.1	Q442 R447	Q442-E444 PolarHBondContact O-N 3.11Å; E444-R447 IonicContact OE1-CZ 2.68Å; E444-R447 IonicContact OE1-NE 3.87Å; E444-R447 PolarHBondContact OE1-NE 3.4Å; E444-R447 IonicContact OE1-NH2 2.7Å; E444-R447 PolarHBondContact OE1-NH2 2.77Å
445	Q	43.8	Very low	56.3	Low	132 Å²	132	106.5 Å²	106.5	62%	0.617	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-65.2	138.2	164.9	-66	-177.5	-5.4	0	0	107.9	A443 R447	A443-Q445 PolarHBondContact O-N 3.21Å; A443-Q445 VanDerWaalsContact O-N 3.15Å; Q445-R447 PolarHBondContact O-N 2.8Å; Q445-R447 VanDerWaalsContact O-N 3.1Å
446	P	50.3	Low	59	Low	115 Å²	115	104.2 Å²	104.2	75%	0.747	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-59.8	119.3	178.7	24.7	-33.3	0	0	0	109.3	V448	P446-V448 PolarHBondContact O-N 2.76Å
447	R	59.5	Low	62.1	Low	165 Å²	165	94.3 Å²	94.3	62%	0.623	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-74.5	123.1	-171.9	-53.4	-170.6	-162.2	-171.9	7.1	110.4	E444 Q445 S449	E444-R447 IonicContact OE1-CZ 2.68Å; E444-R447 IonicContact OE1-NE 3.87Å; E444-R447 PolarHBondContact OE1-NE 3.4Å; E444-R447 IonicContact OE1-NH2 2.7Å; E444-R447 PolarHBondContact OE1-NH2 2.77Å; Q445-R447 PolarHBondContact O-N 2.8Å; Q445-R447 VanDerWaalsContact O-N 3.1Å; R447-S449 PolarHBondContact O-N 3.41Å
448	V	74	Confident	64.7	Low	23 Å²	23	85.5 Å²	85.5	14%	0.139	48%	0.477	C	S	.	.			trans	-70.5	104.2	-176.1	170.1	0	0	0	0	110.5	P446 L450 E626 L670 T705	P446-V448 PolarHBondContact O-N 2.76Å; V448-L450 HydrophobicContact CG1-CD1 4.33Å; V448-L450 HydrophobicContact CG1-CG 3.99Å; V448-E626 WeakPolarHBondContact CA-OE2 3.44Å; V448-E626 WeakPolarHBondContact CG1-OE2 3.19Å; V448-L670 HydrophobicContact CG1-CD2 3.57Å; V448-T705 HydrophobicContact CG1-CG2 4.21Å
449	S	83.9	Confident	67.6	Low	98 Å²	98	85.6 Å²	85.6	69%	0.685	46%	0.463	S	S	*	.			trans	-106	60.1	-170.7	-176.3	0	0	0	0	113.6	R447	R447-S449 PolarHBondContact O-N 3.41Å
450	L	91.3	Very high	70.4	Confident	8 Å²	8	85 Å²	85	4%	0.042	45%	0.446	C	S	.	.			trans	-60.2	151.1	178.7	-65.5	172.4	0	0	0	114	V448 K455 L458 E626 D627 L630 L670 T705	V448-L450 HydrophobicContact CG1-CD1 4.33Å; V448-L450 HydrophobicContact CG1-CG 3.99Å; L450-K455 HydrophobicContact CB-CD 4.39Å; L450-K455 HydrophobicContact CB-CG 3.93Å; L450-K455 WeakPolarHBondContact O-CD 3.33Å; L450-K455 WeakPolarHBondContact O-CE 3.44Å; L450-K455 PolarHBondContact O-NZ 3.48Å; L450-L458 HydrophobicContact CD1-CD2 4.25Å; L450-E626 HydrophobicContact CD2-CB 3.76Å; L450-D627 WeakPolarHBondContact CA-OD2 3.44Å; L450-D627 HydrophobicContact CD2-CB 4.49Å; L450-L630 HydrophobicContact CD1-CD2 4.14Å; L450-L630 HydrophobicContact CD2-CD2 4.39Å; L450-L670 HydrophobicContact CD1-CD2 4.3Å; L450-T705 HydrophobicContact CD1-CG2 3.91Å
451	L	92.2	Very high	73.1	Confident	50 Å²	50	80.3 Å²	80.3	26%	0.262	42%	0.416	S	S	.	.			trans	-65	163.5	170.7	-65.6	170.1	0	0	0	112.5	S454 K455 V579 E580 L583 D627	L451-S454 PolarHBondContact O-N 3.31Å; L451-K455 WeakPolarHBondContact O-CB 3.48Å; L451-K455 WeakPolarHBondContact O-CG 3.39Å; L451-K455 PolarHBondContact O-N 3.43Å; L451-V579 HydrophobicContact CD1-CG1 3.68Å; L451-E580 HydrophobicContact CD1-CG 4.28Å; L451-L583 HydrophobicContact CD1-CD1 3.93Å; L451-D627 VanDerWaalsContact CB-OD1 3.3Å; L451-D627 WeakPolarHBondContact CB-OD1 3.37Å; L451-D627 HydrophobicContact CD1-CB 4.17Å; L451-D627 HydrophobicContact CG-CB 4.47Å; L451-D627 PolarHBondContact N-OD1 2.91Å; L451-D627 PolarHBondContact N-OD2 3.37Å
452	Q	90.2	Very high	75.5	Confident	127 Å²	127	78.8 Å²	78.8	59%	0.593	39%	0.391	S	S	*	.	H	α-helix	trans	-71.2	-38.5	-177	-68.8	-67.7	1.2	0	0	112.4	S454 K455 E456	Q452-S454 VanDerWaalsContact C-N 3.3Å; Q452-S454 PolarHBondContact O-N 3.45Å; Q452-K455 PolarHBondContact O-N 3.47Å; Q452-E456 WeakPolarHBondContact O-CB 3.37Å; Q452-E456 PolarHBondContact O-N 3.11Å
453	S	90.7	Very high	77.5	Confident	26 Å²	26	74.7 Å²	74.7	18%	0.182	37%	0.37	C	S	.	.	H	α-helix	trans	-64.6	-36.8	176	79.8	0	0	0	0	112.1	E456 R457 R533 E580	S453-E456 PolarHBondContact O-N 3.28Å; S453-R457 PolarHBondContact O-N 3.49Å; S453-R533 VanDerWaalsContact OG-CD 3.31Å; S453-R533 WeakPolarHBondContact OG-CD 3.39Å; S453-R533 PolarHBondContact OG-NH1 3.11Å; S453-E580 WeakPolarHBondContact CB-OE2 3.3Å; S453-E580 PolarHBondContact N-OE1 2.89Å; S453-E580 PolarHBondContact OG-OE2 3.31Å
454	S	93.1	Very high	78.1	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-68	-45.6	175.3	-69.5	0	0	0	0	112.4	L451 Q452 E456 R457 L458 R533 D627	L451-S454 PolarHBondContact O-N 3.31Å; Q452-S454 VanDerWaalsContact C-N 3.3Å; Q452-S454 PolarHBondContact O-N 3.45Å; S454-E456 VanDerWaalsContact C-N 3.25Å; S454-E456 PolarHBondContact O-N 3.45Å; S454-R457 PolarHBondContact O-N 3.49Å; S454-L458 WeakPolarHBondContact O-CB 3.27Å; S454-L458 PolarHBondContact O-N 3.49Å; S454-R533 PolarHBondContact OG-NH1 3.29Å; S454-D627 WeakPolarHBondContact CB-OD1 2.97Å; S454-D627 PolarHBondContact OG-OD1 3.46Å
455	K	91.5	Very high	78.8	Confident	65 Å²	65	79 Å²	79	28%	0.283	38%	0.376	S	S	.	.	H	α-helix	trans	-56.7	-40.8	172	-79.6	164	169.4	152.8	0	111.2	L450 L451 Q452 R459	L450-K455 HydrophobicContact CB-CD 4.39Å; L450-K455 HydrophobicContact CB-CG 3.93Å; L450-K455 WeakPolarHBondContact O-CD 3.33Å; L450-K455 WeakPolarHBondContact O-CE 3.44Å; L450-K455 PolarHBondContact O-NZ 3.48Å; L451-K455 WeakPolarHBondContact O-CB 3.48Å; L451-K455 WeakPolarHBondContact O-CG 3.39Å; L451-K455 PolarHBondContact O-N 3.43Å; Q452-K455 PolarHBondContact O-N 3.47Å; K455-R459 WeakPolarHBondContact O-CB 3.27Å; K455-R459 WeakPolarHBondContact O-CG 3.32Å; K455-R459 PolarHBondContact O-N 3.25Å
456	E	89.6	Confident	78.4	Confident	66 Å²	66	78.7 Å²	78.7	31%	0.308	38%	0.379	S	S	.	.	H	α-helix	trans	-68.4	-47.4	177.1	178.8	58.9	-169.5	0	0	112.9	Q452 S453 S454 L458 R459 R460	Q452-E456 WeakPolarHBondContact O-CB 3.37Å; Q452-E456 PolarHBondContact O-N 3.11Å; S453-E456 PolarHBondContact O-N 3.28Å; S454-E456 VanDerWaalsContact C-N 3.25Å; S454-E456 PolarHBondContact O-N 3.45Å; E456-L458 VanDerWaalsContact C-N 3.34Å; E456-L458 PolarHBondContact O-N 3.39Å; E456-R459 PolarHBondContact O-N 3.45Å; E456-R460 WeakPolarHBondContact O-CG 3.39Å; E456-R460 PolarHBondContact O-N 3.02Å; E456-R460 IonicContact OE1-CZ 2.69Å; E456-R460 IonicContact OE1-NE 3.16Å; E456-R460 PolarHBondContact OE1-NE 2.9Å; E456-R460 IonicContact OE1-NH2 3.53Å; E456-R460 PolarHBondContact OE1-NH2 3.1Å
457	R	91.1	Very high	77.8	Confident	35 Å²	35	80.6 Å²	80.6	13%	0.132	38%	0.378	C	S	.	.	H	α-helix	trans	-60.4	-43.4	175	-74.6	-171.2	76	-171	-4.5	112.1	S453 S454 R460 R461 T587 L634 E635	S453-R457 PolarHBondContact O-N 3.49Å; S454-R457 PolarHBondContact O-N 3.49Å; R457-R460 PolarHBondContact O-N 2.88Å; R457-R461 PolarHBondContact O-N 3.36Å; R457-T587 VanDerWaalsContact NH1-CG2 3.32Å; R457-T587 PolarHBondContact NH1-OG1 2.72Å; R457-L634 HydrophobicContact CB-CD1 4.02Å; R457-E635 IonicContact CZ-OE1 2.93Å; R457-E635 IonicContact NH1-OE1 2.69Å; R457-E635 PolarHBondContact NH1-OE1 3.44Å; R457-E635 IonicContact NH2-OE1 3.39Å; R457-E635 PolarHBondContact NH2-OE1 2.9Å; R457-E635 IonicContact NH2-OE2 2.66Å
458	L	90.8	Very high	76.6	Confident	6 Å²	6	78.4 Å²	78.4	3%	0.031	38%	0.382	C	S	.	.	H	α-helix	trans	-66.1	-41.8	178.3	-178.9	58.9	0	0	0	111.7	L450 S454 E456 R460 R461 L462 L630 I701 T705	L450-L458 HydrophobicContact CD1-CD2 4.25Å; S454-L458 WeakPolarHBondContact O-CB 3.27Å; S454-L458 PolarHBondContact O-N 3.49Å; E456-L458 VanDerWaalsContact C-N 3.34Å; E456-L458 PolarHBondContact O-N 3.39Å; L458-R460 VanDerWaalsContact C-N 3.3Å; L458-R460 PolarHBondContact O-N 3.05Å; L458-R461 PolarHBondContact O-N 3.18Å; L458-R461 VanDerWaalsContact O-N 3.16Å; L458-L462 HydrophobicContact CD1-CD1 3.84Å; L458-L462 HydrophobicContact CD1-CG 3.92Å; L458-L462 HydrophobicContact CD2-CD1 4.43Å; L458-L462 HydrophobicContact CG-CD1 3.8Å; L458-L462 HydrophobicContact CG-CG 4.3Å; L458-L462 WeakPolarHBondContact O-CB 3.33Å; L458-L462 VanDerWaalsContact O-CG 3.32Å; L458-L462 WeakPolarHBondContact O-CG 3.26Å; L458-L462 PolarHBondContact O-N 2.63Å; L458-L630 HydrophobicContact CB-CD2 4.15Å; L458-L630 HydrophobicContact CD1-CD1 4.26Å; L458-L630 HydrophobicContact CD2-CD2 4.49Å; L458-I701 HydrophobicContact CD1-CG2 3.68Å; L458-I701 HydrophobicContact CD2-CG2 3.99Å; L458-I701 HydrophobicContact CG-CG2 4.42Å; L458-T705 HydrophobicContact CD2-CG2 3.7Å
459	R	89.3	Confident	74.4	Confident	134 Å²	134	83.5 Å²	83.5	51%	0.506	41%	0.409	S	S	.	.	H	α-helix	trans	-55.5	-44.8	171.7	-78.8	169.2	-170.2	141.3	2	111.4	K455 E456 R461 L462 K463	K455-R459 WeakPolarHBondContact O-CB 3.27Å; K455-R459 WeakPolarHBondContact O-CG 3.32Å; K455-R459 PolarHBondContact O-N 3.25Å; E456-R459 PolarHBondContact O-N 3.45Å; R459-R461 PolarHBondContact O-N 2.93Å; R459-L462 PolarHBondContact O-N 2.85Å; R459-K463 WeakPolarHBondContact O-CA 3.41Å; R459-K463 WeakPolarHBondContact O-CB 3.5Å; R459-K463 PolarHBondContact O-N 3.19Å
460	R	85.9	Confident	71.9	Confident	87 Å²	87	85 Å²	85	33%	0.328	41%	0.413	S	S	.	.	H	α-helix	trans	-66.4	-34	177.5	-67.6	-179.1	-169.2	-170.4	8	113.5	E456 R457 L458 S492 S534	E456-R460 WeakPolarHBondContact O-CG 3.39Å; E456-R460 PolarHBondContact O-N 3.02Å; E456-R460 IonicContact OE1-CZ 2.69Å; E456-R460 IonicContact OE1-NE 3.16Å; E456-R460 PolarHBondContact OE1-NE 2.9Å; E456-R460 IonicContact OE1-NH2 3.53Å; E456-R460 PolarHBondContact OE1-NH2 3.1Å; R457-R460 PolarHBondContact O-N 2.88Å; L458-R460 VanDerWaalsContact C-N 3.3Å; L458-R460 PolarHBondContact O-N 3.05Å; R460-S492 VanDerWaalsContact NH1-CB 3.32Å; R460-S492 PolarHBondContact NH1-OG 3.32Å; R460-S534 VanDerWaalsContact CZ-CB 3.48Å; R460-S534 VanDerWaalsContact NH1-CB 3.27Å; R460-S534 PolarHBondContact NH1-O 2.85Å; R460-S534 PolarHBondContact NH1-OG 2.86Å; R460-S534 PolarHBondContact NH2-OG 3.03Å; R460-S534 VanDerWaalsContact NH2-OG 3.11Å
461	R	88.1	Confident	68.9	Low	52 Å²	52	92.2 Å²	92.2	20%	0.196	45%	0.447	C	S	.	.	H	α-helix	trans	-67.8	-35.6	173.9	-157	-161.3	100.7	162	8.6	112.7	R457 L458 R459 L634 E677 N698	R457-R461 PolarHBondContact O-N 3.36Å; L458-R461 PolarHBondContact O-N 3.18Å; L458-R461 VanDerWaalsContact O-N 3.16Å; R459-R461 PolarHBondContact O-N 2.93Å; R461-L634 VanDerWaalsContact CD-CD2 3.46Å; R461-L634 HydrophobicContact CG-CD2 4.21Å; R461-E677 IonicContact CZ-OE1 2.7Å; R461-E677 IonicContact CZ-OE2 2.72Å; R461-E677 VanDerWaalsContact CZ-OE2 3.25Å; R461-E677 IonicContact NH1-OE1 3.12Å; R461-E677 IonicContact NH1-OE2 3.43Å; R461-E677 PolarHBondContact NH1-OE2 2.77Å; R461-E677 VanDerWaalsContact NH2-CD 3.28Å; R461-E677 IonicContact NH2-OE1 3.31Å; R461-E677 PolarHBondContact NH2-OE1 3.29Å; R461-E677 IonicContact NH2-OE2 3.7Å; R461-E677 PolarHBondContact NH2-OE2 2.74Å; R461-N698 PolarHBondContact NE-OD1 3.19Å; R461-N698 PolarHBondContact NH2-OD1 3.05Å
462	L	85.4	Confident	65.9	Low	41 Å²	41	96.9 Å²	96.9	22%	0.215	47%	0.467	C	S	.	.	H	α-helix	trans	-89.2	-26.5	-177.6	-64.5	175.6	0	0	0	113.5	L458 R459 D464 N698 Q702	L458-L462 HydrophobicContact CD1-CD1 3.84Å; L458-L462 HydrophobicContact CD1-CG 3.92Å; L458-L462 HydrophobicContact CD2-CD1 4.43Å; L458-L462 HydrophobicContact CG-CD1 3.8Å; L458-L462 HydrophobicContact CG-CG 4.3Å; L458-L462 WeakPolarHBondContact O-CB 3.33Å; L458-L462 VanDerWaalsContact O-CG 3.32Å; L458-L462 WeakPolarHBondContact O-CG 3.26Å; L458-L462 PolarHBondContact O-N 2.63Å; R459-L462 PolarHBondContact O-N 2.85Å; L462-D464 PolarHBondContact O-N 3.39Å; L462-N698 HydrophobicContact CD2-CB 3.67Å; L462-N698 WeakPolarHBondContact CD2-O 3.49Å; L462-Q702 HydrophobicContact CD1-CB 3.94Å; L462-Q702 HydrophobicContact CD1-CG 4.31Å
463	K	74.5	Confident	63.2	Low	101 Å²	101	95.7 Å²	95.7	44%	0.439	47%	0.473	S	S	.	.			trans	-96.6	76.3	-177.4	-165.1	-169	-170.5	-159.5	0	110.3	R459 K465 D466	R459-K463 WeakPolarHBondContact O-CA 3.41Å; R459-K463 WeakPolarHBondContact O-CB 3.5Å; R459-K463 PolarHBondContact O-N 3.19Å; K463-K465 PolarHBondContact O-N 2.89Å; K463-K465 VanDerWaalsContact O-N 3.08Å; K463-D466 WeakPolarHBondContact CE-O 3.36Å; K463-D466 PolarHBondContact NZ-O 3.49Å
464	D	49	Very low	60.4	Low	144 Å²	144	104 Å²	104	77%	0.77	50%	0.501	S	S	*	.			trans	-63.2	109.1	166.9	-162.7	-2.4	0	0	0	108.9	L462	L462-D464 PolarHBondContact O-N 3.39Å
465	K	51	Low	57.8	Low	183 Å²	183	112.9 Å²	112.9	80%	0.796	55%	0.547	S	S	*	.	S	Bend	trans	46.6	95.5	179.4	-63.1	174.6	-175.7	170.1	0	117.1	K463	K463-K465 PolarHBondContact O-N 2.89Å; K463-K465 VanDerWaalsContact O-N 3.08Å
466	D	34.7	Very low	55.2	Low	126 Å²	126	111.6 Å²	111.6	67%	0.674	55%	0.552	S	S	*	*			trans	-156.6	139.6	140.8	-115.4	-27.3	0	0	0	110.5	K463	K463-D466 WeakPolarHBondContact CE-O 3.36Å; K463-D466 PolarHBondContact NZ-O 3.49Å
467	E	39.2	Very low	53.5	Low	156 Å²	156	114.1 Å²	114.1	73%	0.729	57%	0.574	S	S	*	*			trans	-77.3	157.4	-171.7	-62.4	-176.7	160.4	0	0	113.6
468	V	32.4	Very low	51.8	Low	118 Å²	118	118.5 Å²	118.5	72%	0.715	60%	0.596	S	S	*	*			trans	-146.8	126.3	150	-178.1	0	0	0	0	106.6
469	N	28.6	Very low	50.8	Low	130 Å²	130	121.7 Å²	121.7	70%	0.695	61%	0.613	S	S	*	*			trans	-102.9	139.9	173.2	-177.5	26.2	0	0	0	110.3
470	V	31.2	Very low	50.2	Low	129 Å²	129	117.4 Å²	117.4	78%	0.782	60%	0.6	S	S	*	*			trans	-141.3	108.8	162.8	-177.5	0	0	0	0	107.5
471	E	29.6	Very low	50	Low	161 Å²	161	116.3 Å²	116.3	75%	0.752	60%	0.6	S	S	*	*			trans	-79.7	138.4	164.9	-71.1	-165.8	162.3	0	0	110.1
472	E	28.5	Very low	49.8	Very low	147 Å²	147	119.7 Å²	119.7	69%	0.687	61%	0.613	S	S	*	*			trans	-136.2	129.5	148.8	-160.4	-178.4	164.1	0	0	108.4	R474	E472-R474 IonicContact OE1-CZ 2.66Å; E472-R474 IonicContact OE1-NE 3.03Å; E472-R474 PolarHBondContact OE1-NE 3.23Å; E472-R474 IonicContact OE1-NH2 3.12Å; E472-R474 PolarHBondContact OE1-NH2 3.15Å
473	S	32.3	Very low	49.7	Very low	103 Å²	103	117.8 Å²	117.8	72%	0.72	60%	0.603	S	S	*	*			trans	-125.3	134.7	-177.2	53.4	0	0	0	0	110.6
474	R	33.3	Very low	50.2	Low	200 Å²	200	115.9 Å²	115.9	76%	0.755	60%	0.6	S	S	*	*			trans	-140.7	159.8	174.5	-60.7	-172.4	-175.6	-145.1	2.3	108.5	E472	E472-R474 IonicContact OE1-CZ 2.66Å; E472-R474 IonicContact OE1-NE 3.03Å; E472-R474 PolarHBondContact OE1-NE 3.23Å; E472-R474 IonicContact OE1-NH2 3.12Å; E472-R474 PolarHBondContact OE1-NH2 3.15Å
475	L	38.1	Very low	51.8	Low	187 Å²	187	112.6 Å²	112.6	98%	0.979	58%	0.582	S	S	*	*			trans	-123.7	129.8	-171.2	-71.7	165.9	0	0	0	111.1
476	G	36	Very low	53.4	Low	37 Å²	37	105.6 Å²	105.6	38%	0.381	55%	0.553	S	S	.	*			trans	-159	136.4	173.3	0	0	0	0	0	111.3
477	P	54.2	Low	55.8	Low	119 Å²	119	99.8 Å²	99.8	77%	0.773	52%	0.522	S	S	*	.			trans	-106.4	92.2	-170.9	37.7	-32.5	0	0	0	115.1
478	Q	56.5	Low	57.9	Low	127 Å²	127	95.9 Å²	95.9	59%	0.593	51%	0.506	S	S	*	.			trans	-136.2	156.2	147.1	-58.8	176.6	96.3	0	0	109.3	M480 D481 R482	Q478-M480 VanDerWaalsContact C-N 3.31Å; Q478-M480 PolarHBondContact O-N 3.03Å; Q478-D481 HydrophobicContact CB-CB 4.33Å; Q478-D481 VanDerWaalsContact CB-OD2 3.3Å; Q478-D481 WeakPolarHBondContact CB-OD2 3.19Å; Q478-D481 WeakPolarHBondContact CG-OD2 3.2Å; Q478-D481 PolarHBondContact NE2-OD2 3.2Å; Q478-D481 PolarHBondContact O-N 2.97Å; Q478-R482 WeakPolarHBondContact O-CG 3.33Å; Q478-R482 PolarHBondContact O-N 3.02Å
479	N	68	Low	60.2	Low	73 Å²	73	92.9 Å²	92.9	39%	0.39	49%	0.49	S	S	.	.	H	α-helix	trans	-60.5	-38.8	-179.4	-79	41.9	0	0	0	112.7	L483 S511	N479-L483 WeakPolarHBondContact O-CG 3.47Å; N479-L483 PolarHBondContact O-N 3.38Å; N479-S511 PolarHBondContact ND2-OG 3.47Å
480	M	78.7	Confident	62.3	Low	45 Å²	45	86.7 Å²	86.7	22%	0.222	46%	0.457	C	S	.	.	H	α-helix	trans	-69.4	-37.2	175.8	-72.3	-55.4	-55.3	0	0	112.6	Q478 L483 V484 Q520 V521 A524	Q478-M480 VanDerWaalsContact C-N 3.31Å; Q478-M480 PolarHBondContact O-N 3.03Å; M480-L483 PolarHBondContact O-N 3.06Å; M480-L483 HydrophobicContact SD-CD1 3.96Å; M480-V484 WeakPolarHBondContact O-CG2 3.32Å; M480-V484 PolarHBondContact O-N 3.03Å; M480-Q520 HydrophobicContact CE-CB 3.95Å; M480-Q520 HydrophobicContact SD-CB 4.12Å; M480-V521 HydrophobicContact SD-CG2 4.12Å; M480-A524 HydrophobicContact CE-CB 4.13Å
481	D	80.6	Confident	64	Low	64 Å²	64	87 Å²	87	34%	0.342	45%	0.445	S	S	.	.	H	α-helix	trans	-62.2	-45.2	176.5	-61.1	-26.3	0	0	0	110.3	Q478 L483 V484 D485	Q478-D481 HydrophobicContact CB-CB 4.33Å; Q478-D481 VanDerWaalsContact CB-OD2 3.3Å; Q478-D481 WeakPolarHBondContact CB-OD2 3.19Å; Q478-D481 WeakPolarHBondContact CG-OD2 3.2Å; Q478-D481 PolarHBondContact NE2-OD2 3.2Å; Q478-D481 PolarHBondContact O-N 2.97Å; D481-L483 VanDerWaalsContact C-N 3.3Å; D481-L483 PolarHBondContact O-N 2.98Å; D481-V484 CarbonylContact O-C 3.59Å; D481-V484 WeakPolarHBondContact O-CB 3.28Å; D481-V484 PolarHBondContact O-N 3.21Å; D481-V484 VanDerWaalsContact O-N 3.1Å; D481-D485 PolarHBondContact O-N 2.72Å
482	R	83.1	Confident	65.3	Low	123 Å²	123	80.8 Å²	80.8	46%	0.464	42%	0.419	S	S	.	.	H	α-helix	trans	-57.9	-39	173.5	-69.3	174.5	174.2	-171.6	-1.3	113.5	Q478 D485 L486 E507	Q478-R482 WeakPolarHBondContact O-CG 3.33Å; Q478-R482 PolarHBondContact O-N 3.02Å; R482-D485 PolarHBondContact O-N 3.02Å; R482-L486 WeakPolarHBondContact O-CB 3.17Å; R482-L486 VanDerWaalsContact O-CG 3.31Å; R482-L486 WeakPolarHBondContact O-CG 3.38Å; R482-L486 PolarHBondContact O-N 3.23Å; R482-E507 WeakPolarHBondContact CD-OE1 3.21Å; R482-E507 IonicContact CZ-OE1 3.95Å; R482-E507 IonicContact NH1-OE1 3.14Å; R482-E507 PolarHBondContact NH1-OE1 3.1Å
483	L	83.8	Confident	66.3	Low	1 Å²	1	79.3 Å²	79.3	1%	0.005	42%	0.416	C	S	.	.	H	α-helix	trans	-67.8	-38.8	176.9	-73.3	169.1	0	0	0	111.2	N479 M480 D481 L486 L487 F504 E507 A508 V521	N479-L483 WeakPolarHBondContact O-CG 3.47Å; N479-L483 PolarHBondContact O-N 3.38Å; M480-L483 PolarHBondContact O-N 3.06Å; M480-L483 HydrophobicContact SD-CD1 3.96Å; D481-L483 VanDerWaalsContact C-N 3.3Å; D481-L483 PolarHBondContact O-N 2.98Å; L483-L486 PolarHBondContact O-N 3.15Å; L483-L487 VanDerWaalsContact O-CG 3.24Å; L483-L487 WeakPolarHBondContact O-CG 3.17Å; L483-L487 PolarHBondContact O-N 3.28Å; L483-F504 HydrophobicContact CB-CE2 3.93Å; L483-F504 HydrophobicContact CD2-CD2 3.66Å; L483-F504 HydrophobicContact CD2-CE2 3.52Å; L483-F504 HydrophobicContact CD2-CG 4.34Å; L483-F504 HydrophobicContact CD2-CZ 4.11Å; L483-F504 HydrophobicContact CG-CE2 4.32Å; L483-F504 WeakPolarHBondContact O-CE2 3.27Å; L483-E507 HydrophobicContact CD2-CB 3.83Å; L483-E507 HydrophobicContact CD2-CG 3.91Å; L483-E507 HydrophobicContact CG-CG 4.12Å; L483-A508 HydrophobicContact CD2-CB 3.99Å; L483-V521 HydrophobicContact CD1-CG2 3.98Å
484	V	84.6	Confident	67.3	Low	61 Å²	61	76.6 Å²	76.6	37%	0.37	40%	0.397	S	S	.	.	H	α-helix	trans	-66.2	-41.5	173.2	171.7	0	0	0	0	111.4	M480 D481 L487 N488 A524	M480-V484 WeakPolarHBondContact O-CG2 3.32Å; M480-V484 PolarHBondContact O-N 3.03Å; D481-V484 CarbonylContact O-C 3.59Å; D481-V484 WeakPolarHBondContact O-CB 3.28Å; D481-V484 PolarHBondContact O-N 3.21Å; D481-V484 VanDerWaalsContact O-N 3.1Å; V484-L487 PolarHBondContact O-N 2.91Å; V484-N488 WeakPolarHBondContact O-CB 3.43Å; V484-N488 VanDerWaalsContact O-CG 3.24Å; V484-N488 PolarHBondContact O-N 3.12Å; V484-N488 PolarHBondContact O-ND2 3.13Å; V484-N488 VanDerWaalsContact O-ND2 3.15Å; V484-A524 HydrophobicContact CG2-CB 4.47Å
485	D	83.9	Confident	68.3	Low	75 Å²	75	73.7 Å²	73.7	40%	0.401	41%	0.407	S	S	.	.	H	α-helix	trans	-62.5	-43.3	174.6	-71.6	-26.5	0	0	0	111.9	D481 R482 N488 S489	D481-D485 PolarHBondContact O-N 2.72Å; R482-D485 PolarHBondContact O-N 3.02Å; D485-N488 PolarHBondContact O-N 3.31Å; D485-S489 WeakPolarHBondContact O-CB 3.4Å; D485-S489 PolarHBondContact O-N 3.35Å
486	L	84.4	Confident	69.8	Low	36 Å²	36	66.2 Å²	66.2	19%	0.188	38%	0.375	C	S	.	.	H	α-helix	trans	-61.4	-44.6	173.5	-76.3	167.8	0	0	0	111.5	R482 L483 N488 S489 M490 F504 E507	R482-L486 WeakPolarHBondContact O-CB 3.17Å; R482-L486 VanDerWaalsContact O-CG 3.31Å; R482-L486 WeakPolarHBondContact O-CG 3.38Å; R482-L486 PolarHBondContact O-N 3.23Å; L483-L486 PolarHBondContact O-N 3.15Å; L486-N488 VanDerWaalsContact C-N 3.32Å; L486-N488 PolarHBondContact O-N 3.28Å; L486-S489 PolarHBondContact O-N 2.94Å; L486-S489 PolarHBondContact O-OG 3.41Å; L486-M490 WeakPolarHBondContact O-CE 3.11Å; L486-M490 WeakPolarHBondContact O-CG 3.43Å; L486-M490 PolarHBondContact O-N 3.47Å; L486-F504 HydrophobicContact CB-CB 4.34Å; L486-F504 HydrophobicContact CB-CD2 3.93Å; L486-F504 HydrophobicContact CD1-CB 4.45Å; L486-E507 HydrophobicContact CD1-CB 4.4Å
487	L	84.9	Confident	71.5	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.016	37%	0.367	C	S	.	.	H	α-helix	trans	-60.6	-38.5	173.7	-71.8	167.7	0	0	0	112.6	L483 V484 M490 F504 A524 I525 K528 F535 L542	L483-L487 VanDerWaalsContact O-CG 3.24Å; L483-L487 WeakPolarHBondContact O-CG 3.17Å; L483-L487 PolarHBondContact O-N 3.28Å; V484-L487 PolarHBondContact O-N 2.91Å; L487-M490 HydrophobicContact CD2-CE 4.05Å; L487-F504 HydrophobicContact CD1-CE2 3.84Å; L487-F504 HydrophobicContact CD1-CZ 4.25Å; L487-F504 HydrophobicContact CD2-CD2 4.16Å; L487-F504 HydrophobicContact CD2-CE2 3.72Å; L487-F504 HydrophobicContact CD2-CZ 3.97Å; L487-F504 HydrophobicContact CG-CD2 3.99Å; L487-F504 HydrophobicContact CG-CE2 3.47Å; L487-F504 VanDerWaalsContact CG-CE2 3.47Å; L487-F504 HydrophobicContact CG-CZ 4.12Å; L487-A524 HydrophobicContact CD1-CB 4.02Å; L487-I525 HydrophobicContact CD1-CG1 4.44Å; L487-I525 HydrophobicContact CD2-CG1 4.26Å; L487-K528 HydrophobicContact CB-CG 4.4Å; L487-F535 HydrophobicContact CD2-CE1 3.89Å; L487-F535 HydrophobicContact CD2-CZ 3.49Å; L487-F535 VanDerWaalsContact CD2-CZ 3.49Å; L487-L542 HydrophobicContact CD2-CD1 3.76Å
488	N	83.3	Confident	72.6	Confident	74 Å²	74	65.8 Å²	65.8	40%	0.396	36%	0.355	S	S	.	.	H	α-helix	trans	-67.7	-41.2	175.7	-72.4	-34	0	0	0	111.7	V484 D485 L486 M490 R491 K528	V484-N488 WeakPolarHBondContact O-CB 3.43Å; V484-N488 VanDerWaalsContact O-CG 3.24Å; V484-N488 PolarHBondContact O-N 3.12Å; V484-N488 PolarHBondContact O-ND2 3.13Å; V484-N488 VanDerWaalsContact O-ND2 3.15Å; D485-N488 PolarHBondContact O-N 3.31Å; L486-N488 VanDerWaalsContact C-N 3.32Å; L486-N488 PolarHBondContact O-N 3.28Å; N488-M490 PolarHBondContact O-N 2.92Å; N488-R491 PolarHBondContact O-N 3.42Å; N488-K528 PolarHBondContact OD1-NZ 3.45Å
489	S	79.8	Confident	73.8	Confident	55 Å²	55	67.9 Å²	67.9	39%	0.385	36%	0.362	S	S	.	.	H	α-helix	trans	-65.8	-19.6	179	79.5	0	0	0	0	114.3	D485 L486 R491 Q500	D485-S489 WeakPolarHBondContact O-CB 3.4Å; D485-S489 PolarHBondContact O-N 3.35Å; L486-S489 PolarHBondContact O-N 2.94Å; L486-S489 PolarHBondContact O-OG 3.41Å; S489-R491 VanDerWaalsContact C-N 3.3Å; S489-R491 PolarHBondContact O-N 2.91Å; S489-Q500 PolarHBondContact O-NE2 2.99Å; S489-Q500 PolarHBondContact OG-NE2 3.41Å
490	M	74.1	Confident	74.5	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	10.5	-178.2	-75.4	-171.9	-73.3	0	0	114.3	L486 L487 N488 S492 Q500 L501 F504 F535 T538 L542	L486-M490 WeakPolarHBondContact O-CE 3.11Å; L486-M490 WeakPolarHBondContact O-CG 3.43Å; L486-M490 PolarHBondContact O-N 3.47Å; L487-M490 HydrophobicContact CD2-CE 4.05Å; N488-M490 PolarHBondContact O-N 2.92Å; M490-S492 VanDerWaalsContact C-N 3.31Å; M490-S492 PolarHBondContact O-N 3.18Å; M490-Q500 HydrophobicContact CG-CB 3.6Å; M490-Q500 HydrophobicContact SD-CB 4.01Å; M490-L501 HydrophobicContact SD-CB 4.25Å; M490-L501 HydrophobicContact SD-CD1 4.16Å; M490-F504 HydrophobicContact CE-CB 3.89Å; M490-F504 HydrophobicContact CE-CD2 4.17Å; M490-F504 HydrophobicContact CE-CG 3.99Å; M490-F535 HydrophobicContact CB-CD2 4.45Å; M490-F535 HydrophobicContact CB-CE2 3.85Å; M490-F535 HydrophobicContact CE-CE2 4.48Å; M490-T538 HydrophobicContact SD-CG2 4.47Å; M490-L542 HydrophobicContact CE-CD1 4.18Å
491	R	66.4	Low	74.7	Confident	137 Å²	137	64.2 Å²	64.2	52%	0.517	34%	0.342	S	S	.	.	S	Bend	trans	-74	81.7	176.1	-173	-174.6	-98.4	-162.4	-4.7	112	N488 S489 D532	N488-R491 PolarHBondContact O-N 3.42Å; S489-R491 VanDerWaalsContact C-N 3.3Å; S489-R491 PolarHBondContact O-N 2.91Å; R491-D532 IonicContact CZ-OD2 2.8Å; R491-D532 IonicContact NE-OD1 2.75Å; R491-D532 IonicContact NE-OD2 3.25Å; R491-D532 PolarHBondContact NE-OD2 3.11Å; R491-D532 IonicContact NH2-OD1 3.2Å; R491-D532 IonicContact NH2-OD2 2.64Å; R491-D532 PolarHBondContact NH2-OD2 3.24Å
492	S	56.5	Low	74.9	Confident	30 Å²	30	63.4 Å²	63.4	21%	0.21	34%	0.344	C	S	.	.	S	Bend	trans	60.4	124.6	149.3	-46.8	0	0	0	0	118.2	R460 M490 S534	R460-S492 VanDerWaalsContact NH1-CB 3.32Å; R460-S492 PolarHBondContact NH1-OG 3.32Å; M490-S492 VanDerWaalsContact C-N 3.31Å; M490-S492 PolarHBondContact O-N 3.18Å; S492-S534 PolarHBondContact OG-O 3.43Å
493	N	49.8	Very low	75.1	Confident	116 Å²	116	60.3 Å²	60.3	62%	0.62	34%	0.341	S	S	*	.			trans	79	7	177.3	-50.5	-14.4	0	0	0	116.8	S495	N493-S495 PolarHBondContact O-N 3.43Å
494	S	53.1	Low	75.2	Confident	46 Å²	46	60.3 Å²	60.3	32%	0.322	34%	0.341	S	S	.	.			trans	-67.9	131.9	165.7	60	0	0	0	0	111.1	G496 V497 Q500	S494-G496 PolarHBondContact O-N 2.92Å; S494-V497 VanDerWaalsContact OG-CG2 3.26Å; S494-V497 WeakPolarHBondContact OG-CG2 3.38Å; S494-Q500 PolarHBondContact OG-OE1 3.5Å
495	S	54.7	Low	75.3	Confident	138 Å²	138	58.9 Å²	58.9	97%	0.965	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	57.6	172.2	47	0	0	0	0	111.3	N493	N493-S495 PolarHBondContact O-N 3.43Å
496	G	68.4	Low	75.5	Confident	30 Å²	30	62.2 Å²	62.2	31%	0.309	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-178.2	4.1	-171.8	0	0	0	0	0	116.4	S494 E498 K499 Q500	S494-G496 PolarHBondContact O-N 2.92Å; G496-E498 VanDerWaalsContact C-N 3.35Å; G496-E498 PolarHBondContact O-N 2.87Å; G496-K499 WeakPolarHBondContact O-CA 3.46Å; G496-K499 WeakPolarHBondContact O-CB 3.43Å; G496-K499 PolarHBondContact O-N 3Å; G496-Q500 PolarHBondContact O-N 3.23Å; G496-Q500 VanDerWaalsContact O-N 3.08Å
497	V	72.6	Confident	75.6	Confident	36 Å²	36	62.3 Å²	62.3	22%	0.218	34%	0.344	C	S	.	.	H	α-helix	trans	-48.6	-48.9	-174.2	178	0	0	0	0	112.9	S494 K499 Q500 L501 T538	S494-V497 VanDerWaalsContact OG-CG2 3.26Å; S494-V497 WeakPolarHBondContact OG-CG2 3.38Å; V497-K499 PolarHBondContact O-N 2.85Å; V497-Q500 PolarHBondContact O-N 3.25Å; V497-Q500 VanDerWaalsContact O-N 3.12Å; V497-L501 WeakPolarHBondContact O-CB 3.31Å; V497-L501 PolarHBondContact O-N 3.25Å; V497-T538 HydrophobicContact CG1-CG2 4.29Å
498	E	77.8	Confident	75.7	Confident	111 Å²	111	62.1 Å²	62.1	52%	0.519	34%	0.343	S	S	.	.	H	α-helix	trans	-61.7	-26.4	179.6	-72.3	-65.8	141.8	0	0	113.7	G496 L501 A502 K545	G496-E498 VanDerWaalsContact C-N 3.35Å; G496-E498 PolarHBondContact O-N 2.87Å; E498-L501 WeakPolarHBondContact OE2-CD2 3.3Å; E498-A502 WeakPolarHBondContact O-CB 3.27Å; E498-A502 PolarHBondContact O-N 3.16Å; E498-K545 IonicContact OE1-NZ 3.64Å; E498-K545 IonicContact OE2-NZ 2.91Å; E498-K545 PolarHBondContact OE2-NZ 2.92Å
499	K	81.8	Confident	75.9	Confident	172 Å²	172	63 Å²	63	75%	0.748	34%	0.344	S	S	*	.	H	α-helix	trans	-77.9	-41.1	173.7	-172.3	-172.6	175.3	-169.9	0	111.6	G496 V497 L501 A502 S503	G496-K499 WeakPolarHBondContact O-CA 3.46Å; G496-K499 WeakPolarHBondContact O-CB 3.43Å; G496-K499 PolarHBondContact O-N 3Å; V497-K499 PolarHBondContact O-N 2.85Å; K499-L501 VanDerWaalsContact C-N 3.31Å; K499-A502 PolarHBondContact O-N 2.79Å; K499-S503 PolarHBondContact O-N 3Å
500	Q	82.2	Confident	76.3	Confident	40 Å²	40	62.4 Å²	62.4	19%	0.187	34%	0.341	C	S	.	.	H	α-helix	trans	-63.2	-41.5	173.6	-64.4	172.3	-90.6	0	0	110.7	S489 M490 S494 G496 V497 S503 F504	S489-Q500 PolarHBondContact O-NE2 2.99Å; S489-Q500 PolarHBondContact OG-NE2 3.41Å; M490-Q500 HydrophobicContact CG-CB 3.6Å; M490-Q500 HydrophobicContact SD-CB 4.01Å; S494-Q500 PolarHBondContact OG-OE1 3.5Å; G496-Q500 PolarHBondContact O-N 3.23Å; G496-Q500 VanDerWaalsContact O-N 3.08Å; V497-Q500 PolarHBondContact O-N 3.25Å; V497-Q500 VanDerWaalsContact O-N 3.12Å; Q500-S503 PolarHBondContact O-N 3.11Å; Q500-F504 WeakPolarHBondContact O-CB 3.33Å; Q500-F504 PolarHBondContact O-N 2.98Å
501	L	82.7	Confident	76.8	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-60.6	-44.8	174.9	-166.2	79.1	0	0	0	111.3	M490 V497 E498 K499 F504 M505 T538 L542 K545	M490-L501 HydrophobicContact SD-CB 4.25Å; M490-L501 HydrophobicContact SD-CD1 4.16Å; V497-L501 WeakPolarHBondContact O-CB 3.31Å; V497-L501 PolarHBondContact O-N 3.25Å; E498-L501 WeakPolarHBondContact OE2-CD2 3.3Å; K499-L501 VanDerWaalsContact C-N 3.31Å; L501-F504 PolarHBondContact O-N 2.8Å; L501-M505 VanDerWaalsContact O-CG 3.31Å; L501-M505 WeakPolarHBondContact O-CG 3.41Å; L501-M505 PolarHBondContact O-N 3.43Å; L501-T538 HydrophobicContact CD1-CG2 4.07Å; L501-L542 HydrophobicContact CD1-CD1 4.48Å; L501-L542 HydrophobicContact CD1-CD2 3.35Å; L501-L542 HydrophobicContact CD1-CG 3.53Å; L501-L542 HydrophobicContact CG-CD2 4.03Å; L501-K545 HydrophobicContact CD2-CD 4.27Å
502	A	84.7	Confident	77.8	Confident	47 Å²	47	57 Å²	57	39%	0.388	32%	0.324	S	S	.	.	H	α-helix	trans	-61.5	-47.6	172.8	0	0	0	0	0	112.2	E498 K499 F504 M505 E506	E498-A502 WeakPolarHBondContact O-CB 3.27Å; E498-A502 PolarHBondContact O-N 3.16Å; K499-A502 PolarHBondContact O-N 2.79Å; A502-F504 VanDerWaalsContact C-N 3.33Å; A502-F504 PolarHBondContact O-N 3.39Å; A502-M505 HydrophobicContact CB-CE 4.49Å; A502-M505 PolarHBondContact O-N 2.82Å; A502-E506 PolarHBondContact O-N 3.44Å
503	S	86.8	Confident	79.2	Confident	57 Å²	57	64.5 Å²	64.5	40%	0.399	35%	0.348	S	S	.	.	H	α-helix	trans	-62.1	-38.2	178	-167.3	0	0	0	0	112.7	K499 Q500 E507	K499-S503 PolarHBondContact O-N 3Å; Q500-S503 PolarHBondContact O-N 3.11Å; S503-E507 PolarHBondContact O-N 3.3Å
504	F	87.6	Confident	81.3	Confident	1 Å²	1	61 Å²	61	0%	0.004	33%	0.332	C	S	.	.	H	α-helix	trans	-66.3	-45.1	174.3	176.3	-83.7	0	0	0	111.4	L483 L486 L487 M490 Q500 L501 A502 E506 E507 A508 I525 L542 M546	L483-F504 HydrophobicContact CB-CE2 3.93Å; L483-F504 HydrophobicContact CD2-CD2 3.66Å; L483-F504 HydrophobicContact CD2-CE2 3.52Å; L483-F504 HydrophobicContact CD2-CG 4.34Å; L483-F504 HydrophobicContact CD2-CZ 4.11Å; L483-F504 HydrophobicContact CG-CE2 4.32Å; L483-F504 WeakPolarHBondContact O-CE2 3.27Å; L486-F504 HydrophobicContact CB-CB 4.34Å; L486-F504 HydrophobicContact CB-CD2 3.93Å; L486-F504 HydrophobicContact CD1-CB 4.45Å; L487-F504 HydrophobicContact CD1-CE2 3.84Å; L487-F504 HydrophobicContact CD1-CZ 4.25Å; L487-F504 HydrophobicContact CD2-CD2 4.16Å; L487-F504 HydrophobicContact CD2-CE2 3.72Å; L487-F504 HydrophobicContact CD2-CZ 3.97Å; L487-F504 HydrophobicContact CG-CD2 3.99Å; L487-F504 HydrophobicContact CG-CE2 3.47Å; L487-F504 VanDerWaalsContact CG-CE2 3.47Å; L487-F504 HydrophobicContact CG-CZ 4.12Å; M490-F504 HydrophobicContact CE-CB 3.89Å; M490-F504 HydrophobicContact CE-CD2 4.17Å; M490-F504 HydrophobicContact CE-CG 3.99Å; Q500-F504 WeakPolarHBondContact O-CB 3.33Å; Q500-F504 PolarHBondContact O-N 2.98Å; L501-F504 PolarHBondContact O-N 2.8Å; A502-F504 VanDerWaalsContact C-N 3.33Å; A502-F504 PolarHBondContact O-N 3.39Å; F504-E506 VanDerWaalsContact C-N 3.3Å; F504-E506 PolarHBondContact O-N 3.07Å; F504-E507 PolarHBondContact O-N 3.38Å; F504-A508 HydrophobicContact CD1-CB 4.35Å; F504-A508 HydrophobicContact CE1-CB 3.99Å; F504-A508 HydrophobicContact CZ-CB 4.35Å; F504-A508 WeakPolarHBondContact O-CB 3.46Å; F504-A508 PolarHBondContact O-N 2.92Å; F504-I525 HydrophobicContact CE1-CD1 3.81Å; F504-I525 HydrophobicContact CE1-CG1 4.04Å; F504-I525 HydrophobicContact CZ-CD1 3.86Å; F504-I525 HydrophobicContact CZ-CG1 3.66Å; F504-L542 HydrophobicContact CD1-CD1 3.85Å; F504-L542 HydrophobicContact CD1-CD2 3.38Å; F504-L542 HydrophobicContact CD1-CG 4.26Å; F504-L542 HydrophobicContact CE1-CD1 3.8Å; F504-L542 HydrophobicContact CE1-CD2 3.89Å; F504-L542 HydrophobicContact CE1-CG 4.42Å; F504-L542 HydrophobicContact CG-CD1 4.48Å; F504-L542 HydrophobicContact CG-CD2 4.27Å; F504-L542 HydrophobicContact CZ-CD1 4.4Å; F504-M546 HydrophobicContact CE1-SD 4.36Å
505	M	86.1	Confident	83.1	Confident	31 Å²	31	63.1 Å²	63.1	15%	0.153	34%	0.337	C	S	.	.	H	α-helix	trans	-62	-38.9	177.9	-71.7	-178	-59.1	0	0	112	L501 A502 A508 Q509 L542 K545	L501-M505 VanDerWaalsContact O-CG 3.31Å; L501-M505 WeakPolarHBondContact O-CG 3.41Å; L501-M505 PolarHBondContact O-N 3.43Å; A502-M505 HydrophobicContact CB-CE 4.49Å; A502-M505 PolarHBondContact O-N 2.82Å; M505-A508 PolarHBondContact O-N 3.42Å; M505-Q509 WeakPolarHBondContact O-CB 3.34Å; M505-Q509 WeakPolarHBondContact O-CG 3.33Å; M505-Q509 PolarHBondContact O-N 2.84Å; M505-L542 HydrophobicContact CG-CD2 3.95Å; M505-K545 HydrophobicContact CE-CD 3.79Å; M505-K545 HydrophobicContact SD-CB 3.42Å; M505-K545 WeakPolarHBondContact SD-CB 3.4Å; M505-K545 HydrophobicContact SD-CD 3.55Å; M505-K545 VanDerWaalsContact SD-CD 3.55Å; M505-K545 HydrophobicContact SD-CG 4.11Å
506	E	87.4	Confident	84.9	Confident	145 Å²	145	62.9 Å²	62.9	68%	0.678	32%	0.32	S	S	*	.	H	α-helix	trans	-66.2	-48.1	177	-171.3	170.3	-171.1	0	0	111.8	A502 F504 A508 Q509 S510	A502-E506 PolarHBondContact O-N 3.44Å; F504-E506 VanDerWaalsContact C-N 3.3Å; F504-E506 PolarHBondContact O-N 3.07Å; E506-A508 VanDerWaalsContact C-N 3.32Å; E506-A508 PolarHBondContact O-N 3.44Å; E506-Q509 PolarHBondContact O-N 3.15Å; E506-S510 VanDerWaalsContact O-CB 3.28Å; E506-S510 WeakPolarHBondContact O-CB 3.21Å; E506-S510 PolarHBondContact O-N 2.67Å
507	E	87.6	Confident	86.1	Confident	38 Å²	38	62.3 Å²	62.3	18%	0.178	31%	0.312	C	S	.	.	H	α-helix	trans	-67	-32.8	176.5	-168.7	76.1	161	0	0	111.9	R482 L483 L486 S503 F504 S510 S511	R482-E507 WeakPolarHBondContact CD-OE1 3.21Å; R482-E507 IonicContact CZ-OE1 3.95Å; R482-E507 IonicContact NH1-OE1 3.14Å; R482-E507 PolarHBondContact NH1-OE1 3.1Å; L483-E507 HydrophobicContact CD2-CB 3.83Å; L483-E507 HydrophobicContact CD2-CG 3.91Å; L483-E507 HydrophobicContact CG-CG 4.12Å; L486-E507 HydrophobicContact CD1-CB 4.4Å; S503-E507 PolarHBondContact O-N 3.3Å; F504-E507 PolarHBondContact O-N 3.38Å; E507-S510 PolarHBondContact O-N 3.13Å; E507-S510 PolarHBondContact O-OG 3.03Å; E507-S510 VanDerWaalsContact O-OG 3.1Å; E507-S510 PolarHBondContact OE2-OG 2.98Å; E507-S511 WeakPolarHBondContact O-CB 3.48Å; E507-S511 PolarHBondContact O-N 3.1Å; E507-S511 PolarHBondContact O-OG 2.88Å
508	A	87.1	Confident	87.1	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-69.4	-44.4	177.4	0	0	0	0	0	111.4	L483 F504 M505 E506 S511 A512 V521 M546	L483-A508 HydrophobicContact CD2-CB 3.99Å; F504-A508 HydrophobicContact CD1-CB 4.35Å; F504-A508 HydrophobicContact CE1-CB 3.99Å; F504-A508 HydrophobicContact CZ-CB 4.35Å; F504-A508 WeakPolarHBondContact O-CB 3.46Å; F504-A508 PolarHBondContact O-N 2.92Å; M505-A508 PolarHBondContact O-N 3.42Å; E506-A508 VanDerWaalsContact C-N 3.32Å; E506-A508 PolarHBondContact O-N 3.44Å; A508-S511 PolarHBondContact O-N 3.26Å; A508-A512 WeakPolarHBondContact O-CB 3.29Å; A508-A512 PolarHBondContact O-N 2.95Å; A508-V521 HydrophobicContact CB-CG1 4.05Å; A508-M546 HydrophobicContact CB-CE 3.95Å; A508-M546 HydrophobicContact CB-SD 4.35Å
509	Q	87.2	Confident	87.9	Confident	91 Å²	91	57.3 Å²	57.3	43%	0.425	29%	0.293	S	S	.	.	H	α-helix	trans	-70.3	-31.5	175.1	-69.5	173.4	8.6	0	0	112.2	M505 E506 S511 F549	M505-Q509 WeakPolarHBondContact O-CB 3.34Å; M505-Q509 WeakPolarHBondContact O-CG 3.33Å; M505-Q509 PolarHBondContact O-N 2.84Å; E506-Q509 PolarHBondContact O-N 3.15Å; Q509-S511 VanDerWaalsContact C-N 3.34Å; Q509-F549 HydrophobicContact CB-CE2 4.12Å; Q509-F549 HydrophobicContact CB-CZ 4.24Å; Q509-F549 HydrophobicContact CG-CD2 3.98Å; Q509-F549 HydrophobicContact CG-CE2 3.77Å; Q509-F549 HydrophobicContact CG-CZ 4.12Å
510	S	87.2	Confident	88.5	Confident	44 Å²	44	53 Å²	53	31%	0.308	28%	0.275	S	S	.	.	H	α-helix	trans	-74.7	-24.8	176.7	86	0	0	0	0	113.1	E506 E507 R513	E506-S510 VanDerWaalsContact O-CB 3.28Å; E506-S510 WeakPolarHBondContact O-CB 3.21Å; E506-S510 PolarHBondContact O-N 2.67Å; E507-S510 PolarHBondContact O-N 3.13Å; E507-S510 PolarHBondContact O-OG 3.03Å; E507-S510 VanDerWaalsContact O-OG 3.1Å; E507-S510 PolarHBondContact OE2-OG 2.98Å; S510-R513 PolarHBondContact O-NE 3.32Å; S510-R513 PolarHBondContact O-NH2 2.9Å
511	S	84.8	Confident	89	Confident	17 Å²	17	51.2 Å²	51.2	12%	0.119	27%	0.267	C	S	.	.	H	α-helix	trans	-97.9	-33.5	-177.4	-56.9	0	0	0	0	113.7	N479 E507 A508 Q509 R513	N479-S511 PolarHBondContact ND2-OG 3.47Å; E507-S511 WeakPolarHBondContact O-CB 3.48Å; E507-S511 PolarHBondContact O-N 3.1Å; E507-S511 PolarHBondContact O-OG 2.88Å; A508-S511 PolarHBondContact O-N 3.26Å; Q509-S511 VanDerWaalsContact C-N 3.34Å; S511-R513 PolarHBondContact O-N 3.2Å
512	A	87.2	Confident	89.6	Confident	5 Å²	5	51.4 Å²	51.4	4%	0.041	27%	0.269	C	S	.	.			trans	-75.1	83.6	177.3	0	0	0	0	0	111.2	A508 S517 L518 V521 F549 V551	A508-A512 WeakPolarHBondContact O-CB 3.29Å; A508-A512 PolarHBondContact O-N 2.95Å; A512-S517 WeakPolarHBondContact CA-OG 3.31Å; A512-L518 HydrophobicContact CB-CB 4.3Å; A512-L518 HydrophobicContact CB-CD1 4.14Å; A512-V521 HydrophobicContact CB-CG2 4.46Å; A512-F549 HydrophobicContact CB-CE1 3.79Å; A512-F549 HydrophobicContact CB-CZ 4.33Å; A512-V551 HydrophobicContact CB-CG2 4.31Å; A512-V551 WeakPolarHBondContact O-CG2 3.36Å
513	R	87.3	Confident	90.1	Very high	189 Å²	189	50.8 Å²	50.8	71%	0.713	27%	0.267	S	S	*	.			trans	-107.9	-16.8	-176.7	-60.9	-175.3	-171.1	-172.2	3.4	114.4	S510 S511 S517 V551	S510-R513 PolarHBondContact O-NE 3.32Å; S510-R513 PolarHBondContact O-NH2 2.9Å; S511-R513 PolarHBondContact O-N 3.2Å; R513-S517 PolarHBondContact N-OG 3.48Å; R513-V551 VanDerWaalsContact C-CG1 3.43Å; R513-V551 WeakPolarHBondContact O-CG1 3.44Å
514	S	92.2	Very high	90.5	Very high	41 Å²	41	49 Å²	49	29%	0.287	26%	0.255	S	S	.	.	S	Bend	trans	-127.5	162.6	170	65.5	0	0	0	0	111.6	E516 S517 L518 V551 E552	S514-E516 PolarHBondContact O-N 3.38Å; S514-S517 PolarHBondContact N-OG 3.44Å; S514-S517 PolarHBondContact O-N 2.99Å; S514-S517 PolarHBondContact O-OG 2.83Å; S514-S517 PolarHBondContact OG-N 3.28Å; S514-S517 PolarHBondContact OG-OG 3.05Å; S514-L518 PolarHBondContact O-N 3.44Å; S514-V551 VanDerWaalsContact C-CG1 3.44Å; S514-E552 WeakPolarHBondContact CA-OE2 3.49Å; S514-E552 WeakPolarHBondContact CB-OE2 3.36Å
515	E	92.4	Very high	90.8	Very high	92 Å²	92	49 Å²	49	43%	0.43	26%	0.255	S	S	.	.	H	α-helix	trans	-50.7	-44.2	172.1	173.2	168.5	-131.1	0	0	112.2	S517 L518 A519 E552 T554	E515-S517 PolarHBondContact O-N 3.47Å; E515-L518 WeakPolarHBondContact O-CB 3.34Å; E515-L518 PolarHBondContact O-N 3.11Å; E515-A519 PolarHBondContact O-N 3.43Å; E515-E552 PolarHBondContact N-OE2 3.42Å; E515-T554 HydrophobicContact CG-CG2 4.16Å; E515-T554 VanDerWaalsContact OE1-CB 3.29Å; E515-T554 WeakPolarHBondContact OE1-CB 3.37Å; E515-T554 WeakPolarHBondContact OE1-CG2 3.27Å; E515-T554 PolarHBondContact OE1-OG1 3.28Å
516	E	92.7	Very high	91.4	Very high	133 Å²	133	47.7 Å²	47.7	62%	0.621	25%	0.249	S	C	*	.	H	α-helix	trans	-60.5	-48.4	179.5	-165.6	-159.9	153.3	0	0	111.4	S514 L518 A519 Q520	S514-E516 PolarHBondContact O-N 3.38Å; E516-L518 VanDerWaalsContact C-N 3.29Å; E516-L518 PolarHBondContact O-N 2.97Å; E516-A519 WeakPolarHBondContact O-CB 3.28Å; E516-A519 PolarHBondContact O-N 2.92Å; E516-A519 VanDerWaalsContact O-N 3.12Å; E516-Q520 WeakPolarHBondContact O-CG 3.42Å; E516-Q520 PolarHBondContact O-N 3.31Å; E516-Q520 PolarHBondContact OE1-NE2 3.45Å
517	S	92	Very high	91.7	Very high	18 Å²	18	43.9 Å²	43.9	13%	0.126	24%	0.238	C	C	.	.	H	α-helix	trans	-63.6	-34	178.1	62.9	0	0	0	0	112.4	A512 R513 S514 E515 Q520 V521	A512-S517 WeakPolarHBondContact CA-OG 3.31Å; R513-S517 PolarHBondContact N-OG 3.48Å; S514-S517 PolarHBondContact N-OG 3.44Å; S514-S517 PolarHBondContact O-N 2.99Å; S514-S517 PolarHBondContact O-OG 2.83Å; S514-S517 PolarHBondContact OG-N 3.28Å; S514-S517 PolarHBondContact OG-OG 3.05Å; E515-S517 PolarHBondContact O-N 3.47Å; S517-Q520 PolarHBondContact O-N 3.12Å; S517-V521 WeakPolarHBondContact O-CG2 3.49Å; S517-V521 PolarHBondContact O-N 3.33Å
518	L	94.4	Very high	92	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.7	-42.2	172.5	-178.2	63.5	0	0	0	111.5	A512 S514 E515 E516 Q520 V521 V522 F549 V551 T554 F556 L559	A512-L518 HydrophobicContact CB-CB 4.3Å; A512-L518 HydrophobicContact CB-CD1 4.14Å; S514-L518 PolarHBondContact O-N 3.44Å; E515-L518 WeakPolarHBondContact O-CB 3.34Å; E515-L518 PolarHBondContact O-N 3.11Å; E516-L518 VanDerWaalsContact C-N 3.29Å; E516-L518 PolarHBondContact O-N 2.97Å; L518-Q520 VanDerWaalsContact C-N 3.35Å; L518-V521 PolarHBondContact O-N 2.86Å; L518-V522 WeakPolarHBondContact O-CG2 3.35Å; L518-V522 PolarHBondContact O-N 2.88Å; L518-F549 HydrophobicContact CD1-CD1 3.76Å; L518-F549 HydrophobicContact CD1-CE1 3.89Å; L518-V551 HydrophobicContact CB-CB 4.42Å; L518-V551 HydrophobicContact CB-CG2 4.28Å; L518-V551 HydrophobicContact CD1-CG2 4.42Å; L518-V551 HydrophobicContact CD2-CB 4.06Å; L518-V551 HydrophobicContact CD2-CG2 4.02Å; L518-V551 HydrophobicContact CG-CG2 4.48Å; L518-T554 HydrophobicContact CD2-CG2 4.43Å; L518-T554 WeakPolarHBondContact CD2-O 3.48Å; L518-F556 HydrophobicContact CD1-CB 4.22Å; L518-F556 HydrophobicContact CD1-CD2 3.95Å; L518-L559 HydrophobicContact CB-CD1 4.31Å; L518-L559 HydrophobicContact CD2-CD1 3.81Å; L518-L559 HydrophobicContact CG-CD1 3.69Å
519	A	94.3	Very high	92.4	Very high	41 Å²	41	43.6 Å²	43.6	34%	0.339	24%	0.236	S	C	.	.	H	α-helix	trans	-65.2	-35.9	175.3	0	0	0	0	0	112.5	E515 E516 G523 L559	E515-A519 PolarHBondContact O-N 3.43Å; E516-A519 WeakPolarHBondContact O-CB 3.28Å; E516-A519 PolarHBondContact O-N 2.92Å; E516-A519 VanDerWaalsContact O-N 3.12Å; A519-G523 PolarHBondContact O-N 3.02Å; A519-L559 HydrophobicContact CB-CD1 4.27Å; A519-L559 HydrophobicContact CB-CD2 4.31Å
520	Q	94.3	Very high	92.9	Very high	82 Å²	82	39.4 Å²	39.4	38%	0.383	22%	0.217	S	C	.	.	H	α-helix	trans	-63.8	-43.6	172.1	-68.2	176	16.4	0	0	111.7	M480 E516 S517 L518 G523 A524	M480-Q520 HydrophobicContact CE-CB 3.95Å; M480-Q520 HydrophobicContact SD-CB 4.12Å; E516-Q520 WeakPolarHBondContact O-CG 3.42Å; E516-Q520 PolarHBondContact O-N 3.31Å; E516-Q520 PolarHBondContact OE1-NE2 3.45Å; S517-Q520 PolarHBondContact O-N 3.12Å; L518-Q520 VanDerWaalsContact C-N 3.35Å; Q520-G523 PolarHBondContact O-N 2.93Å; Q520-A524 PolarHBondContact O-N 3.05Å
521	V	93.8	Very high	93.1	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-62.1	-48.3	175.2	171.3	0	0	0	0	111.7	M480 L483 A508 A512 S517 L518 G523 A524 I525 M546	M480-V521 HydrophobicContact SD-CG2 4.12Å; L483-V521 HydrophobicContact CD1-CG2 3.98Å; A508-V521 HydrophobicContact CB-CG1 4.05Å; A512-V521 HydrophobicContact CB-CG2 4.46Å; S517-V521 WeakPolarHBondContact O-CG2 3.49Å; S517-V521 PolarHBondContact O-N 3.33Å; L518-V521 PolarHBondContact O-N 2.86Å; V521-G523 VanDerWaalsContact C-N 3.3Å; V521-G523 PolarHBondContact O-N 2.77Å; V521-A524 PolarHBondContact O-N 3.48Å; V521-I525 HydrophobicContact CG1-CD1 3.98Å; V521-I525 WeakPolarHBondContact O-CG1 3.39Å; V521-I525 PolarHBondContact O-N 3.4Å; V521-I525 VanDerWaalsContact O-N 3.11Å; V521-M546 HydrophobicContact CG1-CE 4.16Å
522	V	95.6	Very high	93.4	Very high	6 Å²	6	41 Å²	41	4%	0.036	23%	0.227	C	C	.	.	H	α-helix	trans	-59.2	-43.6	175.2	172.3	0	0	0	0	110.5	L518 A524 I525 Y526 F556 L559 L560	L518-V522 WeakPolarHBondContact O-CG2 3.35Å; L518-V522 PolarHBondContact O-N 2.88Å; V522-A524 PolarHBondContact O-N 3.44Å; V522-I525 PolarHBondContact O-N 3.17Å; V522-Y526 WeakPolarHBondContact O-CB 3.44Å; V522-Y526 PolarHBondContact O-N 3.26Å; V522-F556 HydrophobicContact CG2-CD2 3.42Å; V522-F556 VanDerWaalsContact CG2-CD2 3.42Å; V522-F556 HydrophobicContact CG2-CE2 3.46Å; V522-F556 VanDerWaalsContact CG2-CE2 3.46Å; V522-F556 HydrophobicContact CG2-CG 4.04Å; V522-F556 HydrophobicContact CG2-CZ 4.08Å; V522-L559 HydrophobicContact CB-CB 4.29Å; V522-L559 HydrophobicContact CG1-CB 4.04Å; V522-L559 HydrophobicContact CG2-CB 3.98Å; V522-L559 HydrophobicContact CG2-CD1 4.3Å; V522-L560 HydrophobicContact CG1-CB 4.35Å
523	G	94.9	Very high	93.6	Very high	34 Å²	34	41.2 Å²	41.2	35%	0.351	23%	0.227	S	C	.	.	H	α-helix	trans	-60.3	-41.4	177.1	0	0	0	0	0	113.4	A519 Q520 V521 S527	A519-G523 PolarHBondContact O-N 3.02Å; Q520-G523 PolarHBondContact O-N 2.93Å; V521-G523 VanDerWaalsContact C-N 3.3Å; V521-G523 PolarHBondContact O-N 2.77Å; G523-S527 WeakPolarHBondContact O-CB 3.49Å; G523-S527 PolarHBondContact O-N 2.95Å
524	A	94.2	Very high	93.6	Very high	19 Å²	19	33.3 Å²	33.3	16%	0.157	20%	0.201	C	C	.	.	H	α-helix	trans	-65.7	-48.5	177.3	0	0	0	0	0	112.1	M480 V484 L487 Q520 V521 V522 K528	M480-A524 HydrophobicContact CE-CB 4.13Å; V484-A524 HydrophobicContact CG2-CB 4.47Å; L487-A524 HydrophobicContact CD1-CB 4.02Å; Q520-A524 PolarHBondContact O-N 3.05Å; V521-A524 PolarHBondContact O-N 3.48Å; V522-A524 PolarHBondContact O-N 3.44Å; A524-K528 WeakPolarHBondContact O-CB 3.37Å; A524-K528 PolarHBondContact O-N 3.5Å
525	I	94.9	Very high	93.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-60.6	-48.6	177	-61.1	163.2	0	0	0	110.2	L487 F504 V521 V522 K528 A529 A539 L542 M546 F556	L487-I525 HydrophobicContact CD1-CG1 4.44Å; L487-I525 HydrophobicContact CD2-CG1 4.26Å; F504-I525 HydrophobicContact CE1-CD1 3.81Å; F504-I525 HydrophobicContact CE1-CG1 4.04Å; F504-I525 HydrophobicContact CZ-CD1 3.86Å; F504-I525 HydrophobicContact CZ-CG1 3.66Å; V521-I525 HydrophobicContact CG1-CD1 3.98Å; V521-I525 WeakPolarHBondContact O-CG1 3.39Å; V521-I525 PolarHBondContact O-N 3.4Å; V521-I525 VanDerWaalsContact O-N 3.11Å; V522-I525 PolarHBondContact O-N 3.17Å; I525-K528 PolarHBondContact O-N 3.4Å; I525-A529 WeakPolarHBondContact O-CB 3.31Å; I525-A529 PolarHBondContact O-N 3.44Å; I525-A539 HydrophobicContact CG2-CB 4.08Å; I525-L542 HydrophobicContact CG1-CD1 4.41Å; I525-L542 HydrophobicContact CG2-CD1 4.43Å; I525-M546 HydrophobicContact CD1-SD 4.16Å; I525-F556 HydrophobicContact CD1-CE2 3.86Å; I525-F556 HydrophobicContact CD1-CZ 3.85Å
526	Y	97.3	Very high	93.6	Very high	4 Å²	4	27 Å²	27	2%	0.016	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-50.3	-179.7	-175.2	-80.5	0	0	0	111.7	V522 K528 A529 V530 L560 A563 L564 D567 F588	V522-Y526 WeakPolarHBondContact O-CB 3.44Å; V522-Y526 PolarHBondContact O-N 3.26Å; Y526-K528 VanDerWaalsContact C-N 3.31Å; Y526-K528 PolarHBondContact O-N 2.87Å; Y526-A529 PolarHBondContact O-N 3.48Å; Y526-A529 VanDerWaalsContact O-N 3.11Å; Y526-V530 HydrophobicContact CD1-CG1 4.24Å; Y526-V530 HydrophobicContact CD1-CG2 4.22Å; Y526-V530 HydrophobicContact CE1-CB 4.45Å; Y526-V530 HydrophobicContact CE1-CG1 3.68Å; Y526-V530 HydrophobicContact CE1-CG2 3.91Å; Y526-V530 HydrophobicContact CE2-CG1 4.35Å; Y526-V530 WeakPolarHBondContact O-CG2 3.48Å; Y526-V530 PolarHBondContact O-N 2.84Å; Y526-L560 HydrophobicContact CD2-CD1 4.27Å; Y526-A563 HydrophobicContact CD2-CB 3.65Å; Y526-A563 HydrophobicContact CE2-CB 3.88Å; Y526-A563 HydrophobicContact CG-CB 4.1Å; Y526-A563 PolarHBondContact OH-O 3.26Å; Y526-L564 HydrophobicContact CE2-CD2 3.87Å; Y526-L564 HydrophobicContact CE2-CG 4Å; Y526-D567 WeakPolarHBondContact CE1-OD2 3.39Å; Y526-D567 WeakPolarHBondContact OH-CB 3.44Å; Y526-D567 PolarHBondContact OH-OD2 3.34Å; Y526-F588 HydrophobicContact CD2-CD1 4.19Å; Y526-F588 AromaticContact CD2-CE1 3.72Å; Y526-F588 HydrophobicContact CD2-CE1 3.72Å; Y526-F588 HydrophobicContact CE2-CD1 4.12Å; Y526-F588 HydrophobicContact CE2-CE1 4.06Å
527	S	95.5	Very high	93.6	Very high	64 Å²	64	22.1 Å²	22.1	45%	0.448	15%	0.149	S	C	.	.	H	α-helix	trans	-60.1	-41.2	-179.6	-170.7	0	0	0	0	111.5	G523 S531	G523-S527 WeakPolarHBondContact O-CB 3.49Å; G523-S527 PolarHBondContact O-N 2.95Å; S527-S531 WeakPolarHBondContact O-CB 3.43Å; S527-S531 PolarHBondContact O-N 2.86Å; S527-S531 VanDerWaalsContact O-N 3.13Å; S527-S531 PolarHBondContact O-OG 3.04Å
528	K	93.7	Very high	93.6	Very high	33 Å²	33	22.3 Å²	22.3	14%	0.143	15%	0.149	C	C	.	.	H	α-helix	trans	-63.9	-45.9	172.8	-173.5	68.9	179.5	-174.3	0	111.5	L487 N488 A524 I525 Y526 V530 S531 D532 F535	L487-K528 HydrophobicContact CB-CG 4.4Å; N488-K528 PolarHBondContact OD1-NZ 3.45Å; A524-K528 WeakPolarHBondContact O-CB 3.37Å; A524-K528 PolarHBondContact O-N 3.5Å; I525-K528 PolarHBondContact O-N 3.4Å; Y526-K528 VanDerWaalsContact C-N 3.31Å; Y526-K528 PolarHBondContact O-N 2.87Å; K528-V530 PolarHBondContact O-N 3.42Å; K528-S531 PolarHBondContact O-N 3.48Å; K528-S531 PolarHBondContact O-OG 2.86Å; K528-D532 HydrophobicContact CD-CB 4.44Å; K528-D532 IonicContact NZ-OD2 3.74Å; K528-D532 WeakPolarHBondContact O-CA 3.35Å; K528-D532 WeakPolarHBondContact O-CB 3.47Å; K528-D532 PolarHBondContact O-N 3.42Å; K528-F535 HydrophobicContact CB-CD1 4.16Å; K528-F535 HydrophobicContact CB-CE1 4.15Å; K528-F535 HydrophobicContact CG-CD1 3.47Å; K528-F535 VanDerWaalsContact CG-CD1 3.47Å; K528-F535 HydrophobicContact CG-CE1 3.7Å; K528-F535 HydrophobicContact CG-CG 4.14Å
529	A	95.7	Very high	93.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.5	-39.8	-178	0	0	0	0	0	113.6	I525 Y526 D532 A539 F588	I525-A529 WeakPolarHBondContact O-CB 3.31Å; I525-A529 PolarHBondContact O-N 3.44Å; Y526-A529 PolarHBondContact O-N 3.48Å; Y526-A529 VanDerWaalsContact O-N 3.11Å; A529-D532 CarbonylContact O-C 3.59Å; A529-A539 HydrophobicContact CB-CB 3.56Å; A529-F588 HydrophobicContact CB-CB 4.28Å; A529-F588 HydrophobicContact CB-CD1 3.86Å; A529-F588 HydrophobicContact CB-CD2 3.56Å; A529-F588 HydrophobicContact CB-CE1 4.03Å; A529-F588 HydrophobicContact CB-CE2 3.74Å; A529-F588 HydrophobicContact CB-CG 3.62Å; A529-F588 HydrophobicContact CB-CZ 3.97Å
530	V	96.1	Very high	93.6	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.012	13%	0.133	C	C	.	.	H	α-helix	trans	-85.7	-14.8	-179.9	-53.8	0	0	0	0	114.3	Y526 K528 R581 G584 F585 F588	Y526-V530 HydrophobicContact CD1-CG1 4.24Å; Y526-V530 HydrophobicContact CD1-CG2 4.22Å; Y526-V530 HydrophobicContact CE1-CB 4.45Å; Y526-V530 HydrophobicContact CE1-CG1 3.68Å; Y526-V530 HydrophobicContact CE1-CG2 3.91Å; Y526-V530 HydrophobicContact CE2-CG1 4.35Å; Y526-V530 WeakPolarHBondContact O-CG2 3.48Å; Y526-V530 PolarHBondContact O-N 2.84Å; K528-V530 PolarHBondContact O-N 3.42Å; V530-R581 HydrophobicContact CB-CG 4.19Å; V530-R581 HydrophobicContact CG2-CG 3.9Å; V530-G584 WeakPolarHBondContact O-CA 3.35Å; V530-F585 HydrophobicContact CG1-CB 4.34Å; V530-F588 HydrophobicContact CG1-CB 4.35Å; V530-F588 HydrophobicContact CG1-CD1 4.18Å
531	S	92.8	Very high	93.5	Very high	87 Å²	87	20.9 Å²	20.9	61%	0.608	13%	0.134	S	C	*	.	H	α-helix	trans	-93.4	-18.2	168.9	56.7	0	0	0	0	113	S527 K528	S527-S531 WeakPolarHBondContact O-CB 3.43Å; S527-S531 PolarHBondContact O-N 2.86Å; S527-S531 VanDerWaalsContact O-N 3.13Å; S527-S531 PolarHBondContact O-OG 3.04Å; K528-S531 PolarHBondContact O-N 3.48Å; K528-S531 PolarHBondContact O-OG 2.86Å
532	D	90.7	Very high	93.5	Very high	7 Å²	7	20.8 Å²	20.8	4%	0.037	13%	0.134	C	C	.	.			trans	-129.5	81.7	-179.3	-167.3	-15.5	0	0	0	110.3	R491 K528 A529 S534 F535 A536	R491-D532 IonicContact CZ-OD2 2.8Å; R491-D532 IonicContact NE-OD1 2.75Å; R491-D532 IonicContact NE-OD2 3.25Å; R491-D532 PolarHBondContact NE-OD2 3.11Å; R491-D532 IonicContact NH2-OD1 3.2Å; R491-D532 IonicContact NH2-OD2 2.64Å; R491-D532 PolarHBondContact NH2-OD2 3.24Å; K528-D532 HydrophobicContact CD-CB 4.44Å; K528-D532 IonicContact NZ-OD2 3.74Å; K528-D532 WeakPolarHBondContact O-CA 3.35Å; K528-D532 WeakPolarHBondContact O-CB 3.47Å; K528-D532 PolarHBondContact O-N 3.42Å; A529-D532 CarbonylContact O-C 3.59Å; D532-S534 PolarHBondContact O-N 3.45Å; D532-S534 WeakPolarHBondContact OD1-CA 3.1Å; D532-S534 WeakPolarHBondContact OD1-CB 3.49Å; D532-S534 PolarHBondContact OD1-N 2.89Å; D532-S534 VanDerWaalsContact OD1-N 3.09Å; D532-S534 PolarHBondContact OD1-OG 3.33Å; D532-F535 HydrophobicContact CB-CB 3.93Å; D532-F535 WeakPolarHBondContact O-CB 3.49Å; D532-F535 PolarHBondContact O-N 3.45Å; D532-F535 PolarHBondContact OD1-N 3.34Å; D532-A536 PolarHBondContact O-N 3.29Å
533	R	91.7	Very high	93.4	Very high	11 Å²	11	20.5 Å²	20.5	4%	0.042	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-19.7	172	-68.1	167.5	77.1	-160.5	6.7	113.3	S453 S454 T587 C631	S453-R533 VanDerWaalsContact OG-CD 3.31Å; S453-R533 WeakPolarHBondContact OG-CD 3.39Å; S453-R533 PolarHBondContact OG-NH1 3.11Å; S454-R533 PolarHBondContact OG-NH1 3.29Å; R533-T587 HydrophobicContact CB-CG2 4.32Å; R533-T587 PolarHBondContact NE-OG1 2.9Å; R533-T587 VanDerWaalsContact NE-OG1 3.16Å; R533-C631 PolarHBondContact NH2-SG 3.16Å
534	S	87.4	Confident	93.3	Very high	23 Å²	23	21.8 Å²	21.8	16%	0.161	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-15.3	180	99.5	0	0	0	0	113.3	R460 S492 D532	R460-S534 VanDerWaalsContact CZ-CB 3.48Å; R460-S534 VanDerWaalsContact NH1-CB 3.27Å; R460-S534 PolarHBondContact NH1-O 2.85Å; R460-S534 PolarHBondContact NH1-OG 2.86Å; R460-S534 PolarHBondContact NH2-OG 3.03Å; R460-S534 VanDerWaalsContact NH2-OG 3.11Å; S492-S534 PolarHBondContact OG-O 3.43Å; D532-S534 PolarHBondContact O-N 3.45Å; D532-S534 WeakPolarHBondContact OD1-CA 3.1Å; D532-S534 WeakPolarHBondContact OD1-CB 3.49Å; D532-S534 PolarHBondContact OD1-N 2.89Å; D532-S534 VanDerWaalsContact OD1-N 3.09Å; D532-S534 PolarHBondContact OD1-OG 3.33Å
535	F	90.6	Very high	93.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-15.7	173.8	177.7	-106.4	0	0	0	113.1	L487 M490 K528 D532 A537 T538 A539 L542	L487-F535 HydrophobicContact CD2-CE1 3.89Å; L487-F535 HydrophobicContact CD2-CZ 3.49Å; L487-F535 VanDerWaalsContact CD2-CZ 3.49Å; M490-F535 HydrophobicContact CB-CD2 4.45Å; M490-F535 HydrophobicContact CB-CE2 3.85Å; M490-F535 HydrophobicContact CE-CE2 4.48Å; K528-F535 HydrophobicContact CB-CD1 4.16Å; K528-F535 HydrophobicContact CB-CE1 4.15Å; K528-F535 HydrophobicContact CG-CD1 3.47Å; K528-F535 VanDerWaalsContact CG-CD1 3.47Å; K528-F535 HydrophobicContact CG-CE1 3.7Å; K528-F535 HydrophobicContact CG-CG 4.14Å; D532-F535 HydrophobicContact CB-CB 3.93Å; D532-F535 WeakPolarHBondContact O-CB 3.49Å; D532-F535 PolarHBondContact O-N 3.45Å; D532-F535 PolarHBondContact OD1-N 3.34Å; F535-A537 VanDerWaalsContact C-N 3.34Å; F535-A537 PolarHBondContact O-N 3.28Å; F535-A537 VanDerWaalsContact O-N 3.17Å; F535-T538 HydrophobicContact CD2-CG2 4.15Å; F535-T538 HydrophobicContact CE2-CG2 3.6Å; F535-T538 HydrophobicContact CZ-CG2 4.3Å; F535-T538 WeakPolarHBondContact O-CA 3.23Å; F535-T538 WeakPolarHBondContact O-CB 3.33Å; F535-T538 PolarHBondContact O-N 2.9Å; F535-A539 HydrophobicContact CD1-CB 3.88Å; F535-A539 HydrophobicContact CE1-CB 3.6Å; F535-A539 HydrophobicContact CZ-CB 4.34Å; F535-A539 PolarHBondContact O-N 3.49Å; F535-L542 HydrophobicContact CZ-CD1 4.1Å
536	A	93.8	Very high	93.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-49.2	-44.1	-173.7	0	0	0	0	0	114.8	D532 T538 A539 A540 T587 F588 E591	D532-A536 PolarHBondContact O-N 3.29Å; A536-T538 VanDerWaalsContact C-N 3.33Å; A536-T538 PolarHBondContact O-N 3.35Å; A536-A539 WeakPolarHBondContact O-CB 3.08Å; A536-A539 PolarHBondContact O-N 2.94Å; A536-A540 PolarHBondContact O-N 3.3Å; A536-T587 HydrophobicContact CB-CG2 3.95Å; A536-F588 HydrophobicContact CB-CB 4.35Å; A536-F588 HydrophobicContact CB-CD2 4.33Å; A536-E591 HydrophobicContact CB-CB 4.49Å; A536-E591 HydrophobicContact CB-CG 4.04Å
537	A	92.1	Very high	92.7	Very high	31 Å²	31	25.6 Å²	25.6	26%	0.256	15%	0.145	S	C	.	.	H	α-helix	trans	-62.7	-34.6	175.2	0	0	0	0	0	113.7	F535 K541 E591	F535-A537 VanDerWaalsContact C-N 3.34Å; F535-A537 PolarHBondContact O-N 3.28Å; F535-A537 VanDerWaalsContact O-N 3.17Å; A537-K541 WeakPolarHBondContact O-CG 3.42Å; A537-K541 PolarHBondContact O-N 3.44Å; A537-E591 WeakPolarHBondContact CA-OE2 3.49Å; A537-E591 HydrophobicContact CB-CG 4.48Å; A537-E591 WeakPolarHBondContact CB-OE1 3.35Å; A537-E591 WeakPolarHBondContact CB-OE2 3.35Å
538	T	91.4	Very high	92.4	Very high	21 Å²	21	29.7 Å²	29.7	13%	0.129	16%	0.162	C	C	.	.	H	α-helix	trans	-75.5	-38.2	175.5	-55.6	0	0	0	0	110.7	M490 V497 L501 F535 A536 K541 L542	M490-T538 HydrophobicContact SD-CG2 4.47Å; V497-T538 HydrophobicContact CG1-CG2 4.29Å; L501-T538 HydrophobicContact CD1-CG2 4.07Å; F535-T538 HydrophobicContact CD2-CG2 4.15Å; F535-T538 HydrophobicContact CE2-CG2 3.6Å; F535-T538 HydrophobicContact CZ-CG2 4.3Å; F535-T538 WeakPolarHBondContact O-CA 3.23Å; F535-T538 WeakPolarHBondContact O-CB 3.33Å; F535-T538 PolarHBondContact O-N 2.9Å; A536-T538 VanDerWaalsContact C-N 3.33Å; A536-T538 PolarHBondContact O-N 3.35Å; T538-K541 PolarHBondContact O-N 3.35Å; T538-L542 PolarHBondContact O-N 2.95Å
539	A	94.3	Very high	92.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.8	-43.9	172.4	0	0	0	0	0	111.8	I525 A529 F535 A536 K541 L542 C543 F588	I525-A539 HydrophobicContact CG2-CB 4.08Å; A529-A539 HydrophobicContact CB-CB 3.56Å; F535-A539 HydrophobicContact CD1-CB 3.88Å; F535-A539 HydrophobicContact CE1-CB 3.6Å; F535-A539 HydrophobicContact CZ-CB 4.34Å; F535-A539 PolarHBondContact O-N 3.49Å; A536-A539 WeakPolarHBondContact O-CB 3.08Å; A536-A539 PolarHBondContact O-N 2.94Å; A539-K541 VanDerWaalsContact C-N 3.28Å; A539-K541 PolarHBondContact O-N 3.4Å; A539-L542 WeakPolarHBondContact O-CB 3.27Å; A539-L542 PolarHBondContact O-N 2.9Å; A539-L542 VanDerWaalsContact O-N 3.13Å; A539-C543 WeakPolarHBondContact O-CB 3.31Å; A539-C543 PolarHBondContact O-N 3.38Å; A539-C543 PolarHBondContact O-SG 2.99Å; A539-F588 HydrophobicContact CB-CD2 4.19Å; A539-F588 HydrophobicContact CB-CE2 3.58Å; A539-F588 HydrophobicContact CB-CZ 4.27Å
540	A	95.5	Very high	92.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.7	-34.8	177.7	0	0	0	0	0	112.3	A536 C543 D544 F588 E591 V592 T595	A536-A540 PolarHBondContact O-N 3.3Å; A540-C543 PolarHBondContact O-N 3.03Å; A540-D544 PolarHBondContact O-N 3.05Å; A540-F588 HydrophobicContact CB-CE2 4.47Å; A540-E591 HydrophobicContact CB-CB 3.95Å; A540-E591 WeakPolarHBondContact CB-O 3.47Å; A540-V592 HydrophobicContact CB-CG2 4.37Å; A540-T595 HydrophobicContact CB-CG2 4.27Å
541	K	92.6	Very high	91.8	Very high	94 Å²	94	35.7 Å²	35.7	41%	0.409	19%	0.191	S	C	.	.	H	α-helix	trans	-69.8	-35.1	172.6	-69.5	169.4	-174.4	176.6	0	113.5	A537 T538 A539 K545 T595	A537-K541 WeakPolarHBondContact O-CG 3.42Å; A537-K541 PolarHBondContact O-N 3.44Å; T538-K541 PolarHBondContact O-N 3.35Å; A539-K541 VanDerWaalsContact C-N 3.28Å; A539-K541 PolarHBondContact O-N 3.4Å; K541-K545 WeakPolarHBondContact O-CG 3.39Å; K541-K545 PolarHBondContact O-N 3.13Å; K541-T595 HydrophobicContact CG-CG2 3.93Å
542	L	92.4	Very high	91.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-49	168	-78.3	174.8	0	0	0	110.2	L487 M490 L501 F504 M505 I525 F535 T538 A539 D544 K545 M546	L487-L542 HydrophobicContact CD2-CD1 3.76Å; M490-L542 HydrophobicContact CE-CD1 4.18Å; L501-L542 HydrophobicContact CD1-CD1 4.48Å; L501-L542 HydrophobicContact CD1-CD2 3.35Å; L501-L542 HydrophobicContact CD1-CG 3.53Å; L501-L542 HydrophobicContact CG-CD2 4.03Å; F504-L542 HydrophobicContact CD1-CD1 3.85Å; F504-L542 HydrophobicContact CD1-CD2 3.38Å; F504-L542 HydrophobicContact CD1-CG 4.26Å; F504-L542 HydrophobicContact CE1-CD1 3.8Å; F504-L542 HydrophobicContact CE1-CD2 3.89Å; F504-L542 HydrophobicContact CE1-CG 4.42Å; F504-L542 HydrophobicContact CG-CD1 4.48Å; F504-L542 HydrophobicContact CG-CD2 4.27Å; F504-L542 HydrophobicContact CZ-CD1 4.4Å; M505-L542 HydrophobicContact CG-CD2 3.95Å; I525-L542 HydrophobicContact CG1-CD1 4.41Å; I525-L542 HydrophobicContact CG2-CD1 4.43Å; F535-L542 HydrophobicContact CZ-CD1 4.1Å; T538-L542 PolarHBondContact O-N 2.95Å; A539-L542 WeakPolarHBondContact O-CB 3.27Å; A539-L542 PolarHBondContact O-N 2.9Å; A539-L542 VanDerWaalsContact O-N 3.13Å; L542-D544 PolarHBondContact O-N 2.88Å; L542-K545 PolarHBondContact O-N 3.25Å; L542-M546 WeakPolarHBondContact O-CB 3.46Å; L542-M546 WeakPolarHBondContact O-CG 3.24Å; L542-M546 PolarHBondContact O-N 3.41Å
543	C	94.9	Very high	91.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.8	-40.8	-177.4	-69.8	0	0	0	0	113	A539 A540 M546 A547 F556 L560 M596	A539-C543 WeakPolarHBondContact O-CB 3.31Å; A539-C543 PolarHBondContact O-N 3.38Å; A539-C543 PolarHBondContact O-SG 2.99Å; A540-C543 PolarHBondContact O-N 3.03Å; C543-M546 CarbonylContact O-C 3.29Å; C543-M546 PolarHBondContact O-N 3.01Å; C543-A547 WeakPolarHBondContact O-CA 3.49Å; C543-A547 WeakPolarHBondContact O-CB 3.44Å; C543-A547 PolarHBondContact O-N 3.47Å; C543-F556 HydrophobicContact CB-CE1 4.04Å; C543-L560 HydrophobicContact CB-CD2 3.55Å; C543-M596 HydrophobicContact CB-CE 4.1Å; C543-M596 HydrophobicContact CB-CG 4.41Å; C543-M596 HydrophobicContact CB-SD 3.61Å; C543-M596 VanDerWaalsContact O-CE 3.28Å; C543-M596 WeakPolarHBondContact O-CE 3.45Å
544	D	92.8	Very high	91.6	Very high	60 Å²	60	41.8 Å²	41.8	32%	0.321	23%	0.226	S	C	.	.	H	α-helix	trans	-62.1	-52.3	173.9	-174.9	67.3	0	0	0	111.8	A540 L542 M546 A547 T595 M596 R597	A540-D544 PolarHBondContact O-N 3.05Å; L542-D544 PolarHBondContact O-N 2.88Å; D544-M546 PolarHBondContact O-N 3.03Å; D544-A547 WeakPolarHBondContact O-CB 3.35Å; D544-A547 PolarHBondContact O-N 2.96Å; D544-T595 HydrophobicContact CB-CG2 4.22Å; D544-M596 HydrophobicContact CB-CB 4.47Å; D544-M596 HydrophobicContact CB-CG 4Å; D544-M596 WeakPolarHBondContact OD1-CA 3.36Å; D544-R597 PolarHBondContact OD1-N 3.24Å; D544-R597 VanDerWaalsContact OD1-N 3.15Å
545	K	90.9	Very high	91.9	Very high	94 Å²	94	44.1 Å²	44.1	41%	0.409	23%	0.233	S	C	.	.	H	α-helix	trans	-63.5	-24	178.9	-65.9	-179.3	-175.7	-177.2	0	113.1	E498 L501 M505 K541 L542	E498-K545 IonicContact OE1-NZ 3.64Å; E498-K545 IonicContact OE2-NZ 2.91Å; E498-K545 PolarHBondContact OE2-NZ 2.92Å; L501-K545 HydrophobicContact CD2-CD 4.27Å; M505-K545 HydrophobicContact CE-CD 3.79Å; M505-K545 HydrophobicContact SD-CB 3.42Å; M505-K545 WeakPolarHBondContact SD-CB 3.4Å; M505-K545 HydrophobicContact SD-CD 3.55Å; M505-K545 VanDerWaalsContact SD-CD 3.55Å; M505-K545 HydrophobicContact SD-CG 4.11Å; K541-K545 WeakPolarHBondContact O-CG 3.39Å; K541-K545 PolarHBondContact O-N 3.13Å; L542-K545 PolarHBondContact O-N 3.25Å
546	M	92	Very high	92	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-2.3	173.7	-65.3	-171.6	74.5	0	0	114.3	F504 A508 V521 I525 L542 C543 D544 L548 F549 F556	F504-M546 HydrophobicContact CE1-SD 4.36Å; A508-M546 HydrophobicContact CB-CE 3.95Å; A508-M546 HydrophobicContact CB-SD 4.35Å; V521-M546 HydrophobicContact CG1-CE 4.16Å; I525-M546 HydrophobicContact CD1-SD 4.16Å; L542-M546 WeakPolarHBondContact O-CB 3.46Å; L542-M546 WeakPolarHBondContact O-CG 3.24Å; L542-M546 PolarHBondContact O-N 3.41Å; C543-M546 CarbonylContact O-C 3.29Å; C543-M546 PolarHBondContact O-N 3.01Å; D544-M546 PolarHBondContact O-N 3.03Å; M546-L548 VanDerWaalsContact C-N 3.26Å; M546-L548 PolarHBondContact O-N 3.27Å; M546-L548 VanDerWaalsContact O-N 3.11Å; M546-F549 HydrophobicContact CE-CD1 4.34Å; M546-F549 VanDerWaalsContact O-CB 3.27Å; M546-F549 WeakPolarHBondContact O-CB 3.21Å; M546-F549 PolarHBondContact O-N 3.37Å; M546-F556 HydrophobicContact CB-CD1 3.81Å; M546-F556 HydrophobicContact CB-CD2 3.9Å; M546-F556 HydrophobicContact CB-CE1 3.83Å; M546-F556 HydrophobicContact CB-CE2 3.88Å; M546-F556 HydrophobicContact CB-CG 3.87Å; M546-F556 HydrophobicContact CB-CZ 3.86Å; M546-F556 HydrophobicContact CE-CD2 3.73Å; M546-F556 HydrophobicContact CE-CE2 3.71Å; M546-F556 HydrophobicContact CG-CE2 4.4Å; M546-F556 WeakPolarHBondContact O-CB 3.37Å; M546-F556 HydrophobicContact SD-CD2 4.23Å; M546-F556 HydrophobicContact SD-CE2 3.68Å; M546-F556 HydrophobicContact SD-CZ 4.13Å
547	A	90.2	Very high	92.1	Very high	9 Å²	9	45.2 Å²	45.2	7%	0.074	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-33.1	-167.8	0	0	0	0	0	114.5	C543 D544 R557 M596	C543-A547 WeakPolarHBondContact O-CA 3.49Å; C543-A547 WeakPolarHBondContact O-CB 3.44Å; C543-A547 PolarHBondContact O-N 3.47Å; D544-A547 WeakPolarHBondContact O-CB 3.35Å; D544-A547 PolarHBondContact O-N 2.96Å; A547-R557 WeakPolarHBondContact O-CB 3.22Å; A547-M596 HydrophobicContact CB-CE 3.67Å
548	L	87.9	Confident	92.1	Very high	150 Å²	150	45 Å²	45	79%	0.785	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-0.7	179.3	-58.3	179.5	0	0	0	113.5	M546	M546-L548 VanDerWaalsContact C-N 3.26Å; M546-L548 PolarHBondContact O-N 3.27Å; M546-L548 VanDerWaalsContact O-N 3.11Å
549	F	90.6	Very high	92.3	Very high	47 Å²	47	45.7 Å²	45.7	21%	0.206	24%	0.237	C	C	.	.			trans	-73.1	136.8	176.8	-172.4	-107.6	0	0	0	110.3	Q509 A512 L518 M546 V551 F556	Q509-F549 HydrophobicContact CB-CE2 4.12Å; Q509-F549 HydrophobicContact CB-CZ 4.24Å; Q509-F549 HydrophobicContact CG-CD2 3.98Å; Q509-F549 HydrophobicContact CG-CE2 3.77Å; Q509-F549 HydrophobicContact CG-CZ 4.12Å; A512-F549 HydrophobicContact CB-CE1 3.79Å; A512-F549 HydrophobicContact CB-CZ 4.33Å; L518-F549 HydrophobicContact CD1-CD1 3.76Å; L518-F549 HydrophobicContact CD1-CE1 3.89Å; M546-F549 HydrophobicContact CE-CD1 4.34Å; M546-F549 VanDerWaalsContact O-CB 3.27Å; M546-F549 WeakPolarHBondContact O-CB 3.21Å; M546-F549 PolarHBondContact O-N 3.37Å; F549-V551 HydrophobicContact CD1-CG2 4.25Å; F549-V551 HydrophobicContact CE1-CG2 3.45Å; F549-V551 VanDerWaalsContact CE1-CG2 3.45Å; F549-V551 HydrophobicContact CZ-CG2 3.8Å; F549-F556 HydrophobicContact CB-CB 4.41Å; F549-F556 WeakPolarHBondContact O-CB 3.48Å; F549-F556 PolarHBondContact O-N 2.66Å
550	M	92.6	Very high	92.5	Very high	102 Å²	102	45.8 Å²	45.8	50%	0.502	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	147.6	-179.1	64.2	179.8	-66.6	0	0	111.4	T554 K555	M550-T554 CarbonylContact C-O 3.56Å; M550-T554 WeakPolarHBondContact CA-O 3.46Å; M550-T554 WeakPolarHBondContact CB-O 3.44Å; M550-K555 HydrophobicContact CB-CG 4.16Å
551	V	91.4	Very high	92.5	Very high	12 Å²	12	45.9 Å²	45.9	7%	0.073	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	128.5	-178.4	-177.4	0	0	0	0	107.5	A512 R513 S514 L518 F549 G553 T554	A512-V551 HydrophobicContact CB-CG2 4.31Å; A512-V551 WeakPolarHBondContact O-CG2 3.36Å; R513-V551 VanDerWaalsContact C-CG1 3.43Å; R513-V551 WeakPolarHBondContact O-CG1 3.44Å; S514-V551 VanDerWaalsContact C-CG1 3.44Å; L518-V551 HydrophobicContact CB-CB 4.42Å; L518-V551 HydrophobicContact CB-CG2 4.28Å; L518-V551 HydrophobicContact CD1-CG2 4.42Å; L518-V551 HydrophobicContact CD2-CB 4.06Å; L518-V551 HydrophobicContact CD2-CG2 4.02Å; L518-V551 HydrophobicContact CG-CG2 4.48Å; F549-V551 HydrophobicContact CD1-CG2 4.25Å; F549-V551 HydrophobicContact CE1-CG2 3.45Å; F549-V551 VanDerWaalsContact CE1-CG2 3.45Å; F549-V551 HydrophobicContact CZ-CG2 3.8Å; V551-G553 PolarHBondContact O-N 3.35Å; V551-T554 PolarHBondContact N-O 2.89Å; V551-T554 PolarHBondContact O-N 3.48Å
552	E	89.4	Confident	92.6	Very high	153 Å²	153	44.9 Å²	44.9	72%	0.715	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	13.6	178.7	-63.5	175.9	136.9	0	0	115.9	S514 E515	S514-E552 WeakPolarHBondContact CA-OE2 3.49Å; S514-E552 WeakPolarHBondContact CB-OE2 3.36Å; E515-E552 PolarHBondContact N-OE2 3.42Å
553	G	88.7	Confident	92.8	Very high	49 Å²	49	45.3 Å²	45.3	51%	0.505	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	112.3	-28.6	-175.4	0	0	0	0	0	113	V551	V551-G553 PolarHBondContact O-N 3.35Å
554	T	91.9	Very high	92.9	Very high	32 Å²	32	45.3 Å²	45.3	20%	0.196	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	125.2	-178	-67.8	0	0	0	0	111.7	E515 L518 M550 V551 L559	E515-T554 HydrophobicContact CG-CG2 4.16Å; E515-T554 VanDerWaalsContact OE1-CB 3.29Å; E515-T554 WeakPolarHBondContact OE1-CB 3.37Å; E515-T554 WeakPolarHBondContact OE1-CG2 3.27Å; E515-T554 PolarHBondContact OE1-OG1 3.28Å; L518-T554 HydrophobicContact CD2-CG2 4.43Å; L518-T554 WeakPolarHBondContact CD2-O 3.48Å; M550-T554 CarbonylContact C-O 3.56Å; M550-T554 WeakPolarHBondContact CA-O 3.46Å; M550-T554 WeakPolarHBondContact CB-O 3.44Å; V551-T554 PolarHBondContact N-O 2.89Å; V551-T554 PolarHBondContact O-N 3.48Å; T554-L559 HydrophobicContact CG2-CD1 3.65Å; T554-L559 HydrophobicContact CG2-CD2 4.07Å; T554-L559 HydrophobicContact CG2-CG 3.74Å
555	K	93	Very high	93	Very high	72 Å²	72	43.4 Å²	43.4	31%	0.313	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135.9	179.8	-64.9	171	177.2	171.6	0	110.8	D133 M550 R557 S558 L559	D133-K555 IonicContact OD1-NZ 3.21Å; D133-K555 PolarHBondContact OD1-NZ 3.03Å; M550-K555 HydrophobicContact CB-CG 4.16Å; K555-R557 PolarHBondContact O-N 3.37Å; K555-S558 PolarHBondContact O-N 2.83Å; K555-L559 PolarHBondContact O-N 2.86Å
556	F	94.6	Very high	93.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-50.5	-45	173.2	176.3	-82	0	0	0	111.9	L518 V522 I525 C543 M546 F549 S558 L559 L560	L518-F556 HydrophobicContact CD1-CB 4.22Å; L518-F556 HydrophobicContact CD1-CD2 3.95Å; V522-F556 HydrophobicContact CG2-CD2 3.42Å; V522-F556 VanDerWaalsContact CG2-CD2 3.42Å; V522-F556 HydrophobicContact CG2-CE2 3.46Å; V522-F556 VanDerWaalsContact CG2-CE2 3.46Å; V522-F556 HydrophobicContact CG2-CG 4.04Å; V522-F556 HydrophobicContact CG2-CZ 4.08Å; I525-F556 HydrophobicContact CD1-CE2 3.86Å; I525-F556 HydrophobicContact CD1-CZ 3.85Å; C543-F556 HydrophobicContact CB-CE1 4.04Å; M546-F556 HydrophobicContact CB-CD1 3.81Å; M546-F556 HydrophobicContact CB-CD2 3.9Å; M546-F556 HydrophobicContact CB-CE1 3.83Å; M546-F556 HydrophobicContact CB-CE2 3.88Å; M546-F556 HydrophobicContact CB-CG 3.87Å; M546-F556 HydrophobicContact CB-CZ 3.86Å; M546-F556 HydrophobicContact CE-CD2 3.73Å; M546-F556 HydrophobicContact CE-CE2 3.71Å; M546-F556 HydrophobicContact CG-CE2 4.4Å; M546-F556 WeakPolarHBondContact O-CB 3.37Å; M546-F556 HydrophobicContact SD-CD2 4.23Å; M546-F556 HydrophobicContact SD-CE2 3.68Å; M546-F556 HydrophobicContact SD-CZ 4.13Å; F549-F556 HydrophobicContact CB-CB 4.41Å; F549-F556 WeakPolarHBondContact O-CB 3.48Å; F549-F556 PolarHBondContact O-N 2.66Å; F556-S558 VanDerWaalsContact C-N 3.34Å; F556-S558 PolarHBondContact O-N 3.31Å; F556-L559 PolarHBondContact O-N 3.38Å; F556-L560 HydrophobicContact CE1-CD2 4.27Å; F556-L560 PolarHBondContact O-N 2.77Å
557	R	94	Very high	93.5	Very high	22 Å²	22	45.7 Å²	45.7	8%	0.083	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-36.3	-179.9	175.9	174.5	159.6	-130.5	-19.6	113.2	D133 A547 K555 L560 L561	D133-R557 IonicContact OD2-CZ 2.99Å; D133-R557 IonicContact OD2-NH1 3.78Å; D133-R557 PolarHBondContact OD2-NH1 3.37Å; A547-R557 WeakPolarHBondContact O-CB 3.22Å; K555-R557 PolarHBondContact O-N 3.37Å; R557-L560 PolarHBondContact O-N 3.43Å; R557-L561 HydrophobicContact CG-CD1 3.88Å; R557-L561 HydrophobicContact CG-CG 4.22Å; R557-L561 WeakPolarHBondContact O-CB 3.4Å; R557-L561 WeakPolarHBondContact O-CG 3.38Å; R557-L561 PolarHBondContact O-N 2.85Å
558	S	93.3	Very high	93.8	Very high	28 Å²	28	46.4 Å²	46.4	20%	0.196	24%	0.237	C	C	.	.	H	α-helix	trans	-64.9	-45.5	177.9	-58.9	0	0	0	0	110.9	K555 F556 L560 L561 N562	K555-S558 PolarHBondContact O-N 2.83Å; F556-S558 VanDerWaalsContact C-N 3.34Å; F556-S558 PolarHBondContact O-N 3.31Å; S558-L560 VanDerWaalsContact C-N 3.32Å; S558-L560 PolarHBondContact O-N 3.08Å; S558-L561 PolarHBondContact O-N 2.85Å; S558-N562 WeakPolarHBondContact O-CB 3.39Å; S558-N562 PolarHBondContact O-N 3.27Å; S558-N562 PolarHBondContact O-OD1 3.27Å
559	L	95.9	Very high	94.2	Very high	35 Å²	35	43.5 Å²	43.5	18%	0.183	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-39.7	175.9	-66.7	167.3	0	0	0	112.1	L518 A519 V522 T554 K555 F556 A563	L518-L559 HydrophobicContact CB-CD1 4.31Å; L518-L559 HydrophobicContact CD2-CD1 3.81Å; L518-L559 HydrophobicContact CG-CD1 3.69Å; A519-L559 HydrophobicContact CB-CD1 4.27Å; A519-L559 HydrophobicContact CB-CD2 4.31Å; V522-L559 HydrophobicContact CB-CB 4.29Å; V522-L559 HydrophobicContact CG1-CB 4.04Å; V522-L559 HydrophobicContact CG2-CB 3.98Å; V522-L559 HydrophobicContact CG2-CD1 4.3Å; T554-L559 HydrophobicContact CG2-CD1 3.65Å; T554-L559 HydrophobicContact CG2-CD2 4.07Å; T554-L559 HydrophobicContact CG2-CG 3.74Å; K555-L559 PolarHBondContact O-N 2.86Å; F556-L559 PolarHBondContact O-N 3.38Å; L559-A563 WeakPolarHBondContact O-CB 3.35Å; L559-A563 PolarHBondContact O-N 3.15Å
560	L	97.2	Very high	94.5	Very high	2 Å²	2	45 Å²	45	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-65.5	-46.8	175.9	176.7	66.4	0	0	0	112.6	V522 Y526 C543 F556 R557 S558 N562 A563 L564 F588 M596	V522-L560 HydrophobicContact CG1-CB 4.35Å; Y526-L560 HydrophobicContact CD2-CD1 4.27Å; C543-L560 HydrophobicContact CB-CD2 3.55Å; F556-L560 HydrophobicContact CE1-CD2 4.27Å; F556-L560 PolarHBondContact O-N 2.77Å; R557-L560 PolarHBondContact O-N 3.43Å; S558-L560 VanDerWaalsContact C-N 3.32Å; S558-L560 PolarHBondContact O-N 3.08Å; L560-N562 VanDerWaalsContact C-N 3.32Å; L560-N562 PolarHBondContact O-N 3.44Å; L560-A563 WeakPolarHBondContact O-CB 3.42Å; L560-A563 PolarHBondContact O-N 2.76Å; L560-L564 HydrophobicContact CG-CD1 4.34Å; L560-L564 PolarHBondContact O-N 3.26Å; L560-F588 HydrophobicContact CD1-CE1 3.95Å; L560-F588 HydrophobicContact CD1-CZ 4.02Å; L560-M596 HydrophobicContact CD2-CE 3.99Å; L560-M596 HydrophobicContact CD2-SD 3.55Å; L560-M596 VanDerWaalsContact CD2-SD 3.55Å
561	L	95.3	Very high	94.6	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-65.4	-37	179	-72	175.5	0	0	0	111.5	G136 W140 R557 S558 L564 Q565 L607	G136-L561 VanDerWaalsContact O-CD1 3.31Å; G136-L561 WeakPolarHBondContact O-CD1 3.43Å; W140-L561 PolarHBondContact NE1-O 2.95Å; R557-L561 HydrophobicContact CG-CD1 3.88Å; R557-L561 HydrophobicContact CG-CG 4.22Å; R557-L561 WeakPolarHBondContact O-CB 3.4Å; R557-L561 WeakPolarHBondContact O-CG 3.38Å; R557-L561 PolarHBondContact O-N 2.85Å; S558-L561 PolarHBondContact O-N 2.85Å; L561-L564 HydrophobicContact CD2-CD1 4.4Å; L561-L564 PolarHBondContact O-N 2.86Å; L561-Q565 WeakPolarHBondContact O-CB 3.31Å; L561-Q565 PolarHBondContact O-N 3.24Å; L561-L607 HydrophobicContact CD2-CD1 4.45Å; L561-L607 HydrophobicContact CD2-CD2 4.03Å
562	N	95.4	Very high	94.7	Very high	73 Å²	73	46.1 Å²	46.1	39%	0.39	24%	0.235	S	C	.	.	H	α-helix	trans	-65.8	-37.7	172.7	-67	-2.6	0	0	0	111.7	S558 L560 Q565 R566	S558-N562 WeakPolarHBondContact O-CB 3.39Å; S558-N562 PolarHBondContact O-N 3.27Å; S558-N562 PolarHBondContact O-OD1 3.27Å; L560-N562 VanDerWaalsContact C-N 3.32Å; L560-N562 PolarHBondContact O-N 3.44Å; N562-Q565 PolarHBondContact O-N 3.23Å; N562-R566 WeakPolarHBondContact O-CB 3.28Å; N562-R566 PolarHBondContact O-N 3.32Å
563	A	96.4	Very high	95	Very high	9 Å²	9	45.6 Å²	45.6	7%	0.074	23%	0.231	C	C	.	.	H	α-helix	trans	-66.6	-40.6	176.4	0	0	0	0	0	112.6	Y526 L559 L560 D567	Y526-A563 HydrophobicContact CD2-CB 3.65Å; Y526-A563 HydrophobicContact CE2-CB 3.88Å; Y526-A563 HydrophobicContact CG-CB 4.1Å; Y526-A563 PolarHBondContact OH-O 3.26Å; L559-A563 WeakPolarHBondContact O-CB 3.35Å; L559-A563 PolarHBondContact O-N 3.15Å; L560-A563 WeakPolarHBondContact O-CB 3.42Å; L560-A563 PolarHBondContact O-N 2.76Å; A563-D567 PolarHBondContact O-N 2.97Å
564	L	97.4	Very high	95.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-45	171.8	-73.6	164.5	0	0	0	111.5	W140 Y526 L560 L561 R566 D567 F568 F585 F588 L589 V592	W140-L564 HydrophobicContact CZ2-CB 4.03Å; Y526-L564 HydrophobicContact CE2-CD2 3.87Å; Y526-L564 HydrophobicContact CE2-CG 4Å; L560-L564 HydrophobicContact CG-CD1 4.34Å; L560-L564 PolarHBondContact O-N 3.26Å; L561-L564 HydrophobicContact CD2-CD1 4.4Å; L561-L564 PolarHBondContact O-N 2.86Å; L564-R566 PolarHBondContact O-N 2.76Å; L564-D567 PolarHBondContact O-N 3.06Å; L564-F568 PolarHBondContact O-N 3.06Å; L564-F585 HydrophobicContact CD2-CD2 4.32Å; L564-F585 HydrophobicContact CD2-CE2 4.09Å; L564-F585 WeakPolarHBondContact O-CE2 3.44Å; L564-F588 HydrophobicContact CD2-CD1 4Å; L564-F588 HydrophobicContact CD2-CE1 4.31Å; L564-L589 HydrophobicContact CD1-CD1 4.45Å; L564-L589 HydrophobicContact CD2-CB 4.39Å; L564-L589 HydrophobicContact CD2-CD1 4.08Å; L564-V592 HydrophobicContact CD1-CB 4.5Å; L564-V592 HydrophobicContact CD1-CG1 4.01Å; L564-V592 HydrophobicContact CD1-CG2 4.44Å
565	Q	96	Very high	95.3	Very high	20 Å²	20	44 Å²	44	9%	0.093	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-43.6	-179.5	-167.3	171.3	17.4	0	0	111.5	I139 W140 N143 L561 N562 D567 F568 S569	I139-Q565 PolarHBondContact O-NE2 2.9Å; W140-Q565 HydrophobicContact CD2-CB 4.47Å; W140-Q565 HydrophobicContact CD2-CG 4.3Å; W140-Q565 HydrophobicContact CH2-CB 4.11Å; W140-Q565 HydrophobicContact CH2-CG 4.38Å; W140-Q565 VanDerWaalsContact CZ2-CA 3.43Å; W140-Q565 HydrophobicContact CZ2-CB 3.54Å; W140-Q565 HydrophobicContact CZ2-CG 4.12Å; N143-Q565 PolarHBondContact ND2-NE2 3.28Å; L561-Q565 WeakPolarHBondContact O-CB 3.31Å; L561-Q565 PolarHBondContact O-N 3.24Å; N562-Q565 PolarHBondContact O-N 3.23Å; Q565-D567 VanDerWaalsContact C-N 3.26Å; Q565-D567 PolarHBondContact O-N 2.77Å; Q565-F568 WeakPolarHBondContact O-CB 3.37Å; Q565-F568 PolarHBondContact O-N 2.75Å; Q565-F568 VanDerWaalsContact O-N 3.15Å; Q565-S569 PolarHBondContact O-N 3.13Å; Q565-S569 PolarHBondContact O-OG 3.3Å
566	R	95.8	Very high	95.3	Very high	142 Å²	142	48.2 Å²	48.2	54%	0.536	23%	0.229	S	C	.	.	H	α-helix	trans	-56.3	-37.9	175.4	178.1	-173.8	62.2	-166.6	-10.4	112.9	N562 L564 R570	N562-R566 WeakPolarHBondContact O-CB 3.28Å; N562-R566 PolarHBondContact O-N 3.32Å; L564-R566 PolarHBondContact O-N 2.76Å; R566-R570 VanDerWaalsContact O-CD 3.23Å; R566-R570 WeakPolarHBondContact O-CD 3.37Å; R566-R570 VanDerWaalsContact O-CG 3.26Å; R566-R570 WeakPolarHBondContact O-CG 3.48Å
567	D	95.9	Very high	95.3	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-81.2	-31.5	178.4	-77.3	9.8	0	0	0	112	Y526 A563 L564 Q565 R570 R571 R581 F585	Y526-D567 WeakPolarHBondContact CE1-OD2 3.39Å; Y526-D567 WeakPolarHBondContact OH-CB 3.44Å; Y526-D567 PolarHBondContact OH-OD2 3.34Å; A563-D567 PolarHBondContact O-N 2.97Å; L564-D567 PolarHBondContact O-N 3.06Å; Q565-D567 VanDerWaalsContact C-N 3.26Å; Q565-D567 PolarHBondContact O-N 2.77Å; D567-R570 CarbonylContact O-C 3.5Å; D567-R570 PolarHBondContact O-N 3.24Å; D567-R570 IonicContact OD1-CZ 3.81Å; D567-R570 IonicContact OD1-NE 3.66Å; D567-R570 PolarHBondContact OD1-NE 2.74Å; D567-R570 IonicContact OD1-NH2 3.62Å; D567-R570 PolarHBondContact OD1-NH2 2.99Å; D567-R570 IonicContact OD2-NH2 2.76Å; D567-R570 PolarHBondContact OD2-NH2 3.36Å; D567-R571 WeakPolarHBondContact O-CA 3.41Å; D567-R571 PolarHBondContact O-N 2.96Å; D567-R571 VanDerWaalsContact O-N 3.08Å; D567-R581 IonicContact OD2-NE 2.77Å; D567-R581 IonicContact OD2-NH2 2.75Å; D567-F585 HydrophobicContact CB-CD2 3.7Å; D567-F585 HydrophobicContact CB-CE2 4.02Å; D567-F585 HydrophobicContact CB-CG 4.1Å
568	F	97.6	Very high	95.3	Very high	24 Å²	24	54.8 Å²	54.8	11%	0.105	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-49.4	170.3	-174.5	-108.8	0	0	0	112.7	W140 L564 Q565 R570 R571 F585 P610 T613	W140-F568 HydrophobicContact CH2-CB 3.95Å; W140-F568 HydrophobicContact CH2-CD1 4.36Å; W140-F568 HydrophobicContact CH2-CG 4.18Å; W140-F568 HydrophobicContact CZ3-CB 4.24Å; W140-F568 AromaticContact CZ3-CD1 3.79Å; W140-F568 HydrophobicContact CZ3-CD1 3.79Å; W140-F568 HydrophobicContact CZ3-CE1 4.36Å; W140-F568 HydrophobicContact CZ3-CG 4.01Å; L564-F568 PolarHBondContact O-N 3.06Å; Q565-F568 WeakPolarHBondContact O-CB 3.37Å; Q565-F568 PolarHBondContact O-N 2.75Å; Q565-F568 VanDerWaalsContact O-N 3.15Å; F568-R570 PolarHBondContact O-N 2.86Å; F568-R571 WeakPolarHBondContact O-CB 3.37Å; F568-R571 VanDerWaalsContact O-CD 3.26Å; F568-R571 WeakPolarHBondContact O-CD 3.47Å; F568-R571 VanDerWaalsContact O-CG 3.27Å; F568-R571 WeakPolarHBondContact O-CG 3.46Å; F568-R571 PolarHBondContact O-N 3.02Å; F568-R571 VanDerWaalsContact O-N 3.08Å; F568-R571 PolarHBondContact O-NH1 2.8Å; F568-F585 HydrophobicContact CB-CE1 4.46Å; F568-F585 HydrophobicContact CB-CE2 4.48Å; F568-F585 HydrophobicContact CB-CZ 3.74Å; F568-F585 HydrophobicContact CD2-CE1 4.4Å; F568-F585 HydrophobicContact CD2-CZ 4.13Å; F568-F585 HydrophobicContact CG-CZ 4.45Å; F568-P610 HydrophobicContact CD2-CB 4.01Å; F568-P610 HydrophobicContact CE1-CB 4.32Å; F568-P610 HydrophobicContact CE1-CG 4.41Å; F568-P610 HydrophobicContact CE2-CB 3.69Å; F568-P610 HydrophobicContact CG-CB 4.47Å; F568-P610 HydrophobicContact CZ-CB 3.86Å; F568-P610 HydrophobicContact CZ-CG 4.3Å; F568-T613 HydrophobicContact CE2-CG2 4.24Å; F568-T613 HydrophobicContact CZ-CG2 4.2Å
569	S	96.6	Very high	95.4	Very high	88 Å²	88	55 Å²	55	62%	0.615	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-9.1	179	-60.2	0	0	0	0	114.1	Q565	Q565-S569 PolarHBondContact O-N 3.13Å; Q565-S569 PolarHBondContact O-OG 3.3Å
570	R	95	Very high	95.3	Very high	78 Å²	78	56.3 Å²	56.3	29%	0.294	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	14.2	174.9	75.1	-165.7	-174.3	78.4	8.4	113.2	R566 D567 F568 E572 K573 L574	R566-R570 VanDerWaalsContact O-CD 3.23Å; R566-R570 WeakPolarHBondContact O-CD 3.37Å; R566-R570 VanDerWaalsContact O-CG 3.26Å; R566-R570 WeakPolarHBondContact O-CG 3.48Å; D567-R570 CarbonylContact O-C 3.5Å; D567-R570 PolarHBondContact O-N 3.24Å; D567-R570 IonicContact OD1-CZ 3.81Å; D567-R570 IonicContact OD1-NE 3.66Å; D567-R570 PolarHBondContact OD1-NE 2.74Å; D567-R570 IonicContact OD1-NH2 3.62Å; D567-R570 PolarHBondContact OD1-NH2 2.99Å; D567-R570 IonicContact OD2-NH2 2.76Å; D567-R570 PolarHBondContact OD2-NH2 3.36Å; F568-R570 PolarHBondContact O-N 2.86Å; R570-E572 VanDerWaalsContact C-N 3.32Å; R570-E572 PolarHBondContact O-N 2.91Å; R570-K573 PolarHBondContact O-N 3.05Å; R570-K573 VanDerWaalsContact O-N 3.11Å; R570-L574 PolarHBondContact O-N 3.46Å
571	R	95.4	Very high	95.3	Very high	35 Å²	35	59.7 Å²	59.7	13%	0.132	29%	0.287	C	S	.	.	H	α-helix	trans	-58.4	-38	-169.8	71.6	-159.2	-177.6	-55.4	-23.8	113.4	D567 F568 L574 Q575 F585 E617	D567-R571 WeakPolarHBondContact O-CA 3.41Å; D567-R571 PolarHBondContact O-N 2.96Å; D567-R571 VanDerWaalsContact O-N 3.08Å; F568-R571 WeakPolarHBondContact O-CB 3.37Å; F568-R571 VanDerWaalsContact O-CD 3.26Å; F568-R571 WeakPolarHBondContact O-CD 3.47Å; F568-R571 VanDerWaalsContact O-CG 3.27Å; F568-R571 WeakPolarHBondContact O-CG 3.46Å; F568-R571 PolarHBondContact O-N 3.02Å; F568-R571 VanDerWaalsContact O-N 3.08Å; F568-R571 PolarHBondContact O-NH1 2.8Å; R571-L574 CarbonylContact O-C 3.51Å; R571-L574 WeakPolarHBondContact O-CB 3.5Å; R571-L574 PolarHBondContact O-N 3.32Å; R571-L574 VanDerWaalsContact O-N 3.16Å; R571-Q575 WeakPolarHBondContact O-CB 3.5Å; R571-Q575 PolarHBondContact O-N 2.9Å; R571-F585 HydrophobicContact CB-CE1 4.45Å; R571-E617 WeakPolarHBondContact CD-OE2 3.2Å; R571-E617 IonicContact CZ-OE1 2.73Å; R571-E617 VanDerWaalsContact NE-CD 3.34Å; R571-E617 IonicContact NE-OE1 3.98Å; R571-E617 PolarHBondContact NE-OE1 3.25Å; R571-E617 IonicContact NE-OE2 3.88Å; R571-E617 PolarHBondContact NE-OE2 3Å; R571-E617 VanDerWaalsContact NE-OE2 3.16Å; R571-E617 IonicContact NH2-OE1 3.81Å; R571-E617 PolarHBondContact NH2-OE1 3.1Å
572	E	93.6	Very high	95.4	Very high	103 Å²	103	59.6 Å²	59.6	48%	0.481	29%	0.287	S	S	.	.	H	α-helix	trans	-62.9	-45.3	176.4	-64.8	150.6	-134	0	0	111.6	R570 L574 Q575 Q576	R570-E572 VanDerWaalsContact C-N 3.32Å; R570-E572 PolarHBondContact O-N 2.91Å; E572-L574 VanDerWaalsContact C-N 3.33Å; E572-L574 PolarHBondContact O-N 3.18Å; E572-Q575 WeakPolarHBondContact O-CB 3.41Å; E572-Q575 PolarHBondContact O-N 3.5Å; E572-Q576 WeakPolarHBondContact O-CG 3.45Å; E572-Q576 PolarHBondContact O-N 2.92Å
573	K	95.2	Very high	95.5	Very high	142 Å²	142	56.1 Å²	56.1	62%	0.617	27%	0.268	S	S	*	.	H	α-helix	trans	-66.2	-36.2	172.9	-177.7	172	-178.8	172.9	0	111.5	R570 Q576 T577	R570-K573 PolarHBondContact O-N 3.05Å; R570-K573 VanDerWaalsContact O-N 3.11Å; K573-Q576 PolarHBondContact O-N 2.95Å; K573-T577 HydrophobicContact CG-CG2 4.32Å; K573-T577 WeakPolarHBondContact O-CB 3.45Å; K573-T577 WeakPolarHBondContact O-CG2 3.38Å; K573-T577 PolarHBondContact O-N 3.46Å; K573-T577 PolarHBondContact O-OG1 3.18Å
574	L	92.7	Very high	95.6	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-66.1	-43.9	177.5	-172.2	64.7	0	0	0	111.1	R570 R571 E572 Q576 T577 D578 R581 W582 F585	R570-L574 PolarHBondContact O-N 3.46Å; R571-L574 CarbonylContact O-C 3.51Å; R571-L574 WeakPolarHBondContact O-CB 3.5Å; R571-L574 PolarHBondContact O-N 3.32Å; R571-L574 VanDerWaalsContact O-N 3.16Å; E572-L574 VanDerWaalsContact C-N 3.33Å; E572-L574 PolarHBondContact O-N 3.18Å; L574-Q576 VanDerWaalsContact C-N 3.26Å; L574-Q576 PolarHBondContact O-N 2.7Å; L574-T577 PolarHBondContact O-N 3.45Å; L574-T577 VanDerWaalsContact O-N 3.15Å; L574-D578 HydrophobicContact CD1-CB 4.04Å; L574-D578 CarbonylContact O-C 3.4Å; L574-D578 VanDerWaalsContact O-C 3.29Å; L574-D578 PolarHBondContact O-N 2.72Å; L574-R581 HydrophobicContact CD1-CB 4.18Å; L574-R581 HydrophobicContact CD1-CG 4.07Å; L574-R581 HydrophobicContact CD2-CG 4.43Å; L574-W582 HydrophobicContact CD2-CB 4.27Å; L574-W582 HydrophobicContact CG-CB 3.94Å; L574-F585 HydrophobicContact CD2-CB 4.24Å
575	Q	94.3	Very high	95.6	Very high	46 Å²	46	55.7 Å²	55.7	22%	0.215	26%	0.264	C	S	.	.	H	α-helix	trans	-54.2	-40.9	173.4	-174.4	-178.3	28	0	0	112.1	R571 E572 V579 W582 S621	R571-Q575 WeakPolarHBondContact O-CB 3.5Å; R571-Q575 PolarHBondContact O-N 2.9Å; E572-Q575 WeakPolarHBondContact O-CB 3.41Å; E572-Q575 PolarHBondContact O-N 3.5Å; Q575-V579 VanDerWaalsContact O-CG2 3.23Å; Q575-V579 WeakPolarHBondContact O-CG2 3.44Å; Q575-W582 HydrophobicContact CB-CD2 3.81Å; Q575-W582 HydrophobicContact CB-CE3 4.36Å; Q575-W582 HydrophobicContact CB-CG 3.93Å; Q575-W582 HydrophobicContact CB-CZ2 4.35Å; Q575-W582 HydrophobicContact CG-CD2 3.8Å; Q575-W582 HydrophobicContact CG-CE3 3.9Å; Q575-W582 HydrophobicContact CG-CG 4.44Å; Q575-W582 HydrophobicContact CG-CH2 3.94Å; Q575-W582 HydrophobicContact CG-CZ2 3.83Å; Q575-W582 HydrophobicContact CG-CZ3 3.97Å; Q575-W582 VanDerWaalsContact NE2-CZ2 3.28Å; Q575-S621 PolarHBondContact NE2-OG 2.7Å
576	Q	92.6	Very high	95.7	Very high	160 Å²	160	54.7 Å²	54.7	75%	0.748	26%	0.26	S	S	*	.	H	α-helix	trans	-79.3	-23.8	178.9	-65.9	171.2	13.1	0	0	114.7	E572 K573 L574	E572-Q576 WeakPolarHBondContact O-CG 3.45Å; E572-Q576 PolarHBondContact O-N 2.92Å; K573-Q576 PolarHBondContact O-N 2.95Å; L574-Q576 VanDerWaalsContact C-N 3.26Å; L574-Q576 PolarHBondContact O-N 2.7Å
577	T	94.6	Very high	95.8	Very high	97 Å²	97	48 Å²	48	60%	0.595	23%	0.234	S	C	*	.	H	α-helix	trans	-112.8	-26.1	-170.3	54.2	0	0	0	0	115.2	K573 L574	K573-T577 HydrophobicContact CG-CG2 4.32Å; K573-T577 WeakPolarHBondContact O-CB 3.45Å; K573-T577 WeakPolarHBondContact O-CG2 3.38Å; K573-T577 PolarHBondContact O-N 3.46Å; K573-T577 PolarHBondContact O-OG1 3.18Å; L574-T577 PolarHBondContact O-N 3.45Å; L574-T577 VanDerWaalsContact O-N 3.15Å
578	D	94.9	Very high	96	Very high	64 Å²	64	47.9 Å²	47.9	34%	0.342	23%	0.234	S	C	.	.			trans	-157.1	80	-177.3	-177.2	-4.9	0	0	0	109.5	L574 E580 R581 W582	L574-D578 HydrophobicContact CD1-CB 4.04Å; L574-D578 CarbonylContact O-C 3.4Å; L574-D578 VanDerWaalsContact O-C 3.29Å; L574-D578 PolarHBondContact O-N 2.72Å; D578-E580 VanDerWaalsContact C-N 3.35Å; D578-E580 PolarHBondContact O-N 3.26Å; D578-R581 HydrophobicContact CB-CB 4.16Å; D578-R581 PolarHBondContact O-N 2.9Å; D578-R581 VanDerWaalsContact OD1-CB 3.27Å; D578-R581 WeakPolarHBondContact OD1-CB 3.36Å; D578-R581 PolarHBondContact OD1-N 3.17Å; D578-R581 VanDerWaalsContact OD1-N 3.08Å; D578-R581 WeakPolarHBondContact OD2-CB 3.27Å; D578-R581 WeakPolarHBondContact OD2-CD 3.48Å; D578-W582 PolarHBondContact O-N 2.71Å
579	V	95.1	Very high	96	Very high	33 Å²	33	46.8 Å²	46.8	20%	0.2	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-42.7	-178.1	173.2	0	0	0	0	112	L451 Q575 R581 W582 L583 V624	L451-V579 HydrophobicContact CD1-CG1 3.68Å; Q575-V579 VanDerWaalsContact O-CG2 3.23Å; Q575-V579 WeakPolarHBondContact O-CG2 3.44Å; V579-R581 PolarHBondContact O-N 3.49Å; V579-W582 HydrophobicContact CG1-CE3 4.39Å; V579-W582 WeakPolarHBondContact O-CB 3.29Å; V579-W582 PolarHBondContact O-N 2.66Å; V579-W582 VanDerWaalsContact O-N 3.1Å; V579-L583 HydrophobicContact CG1-CD1 3.93Å; V579-L583 HydrophobicContact CG1-CG 4.09Å; V579-L583 WeakPolarHBondContact O-CG 3.44Å; V579-L583 PolarHBondContact O-N 3.17Å; V579-V624 HydrophobicContact CG1-CB 4.13Å; V579-V624 HydrophobicContact CG1-CG1 4.01Å; V579-V624 HydrophobicContact CG1-CG2 3.79Å; V579-V624 HydrophobicContact CG2-CG1 4Å; V579-V624 HydrophobicContact CG2-CG2 4.25Å
580	E	95	Very high	96.1	Very high	62 Å²	62	42.6 Å²	42.6	29%	0.29	20%	0.2	S	C	.	.	H	α-helix	trans	-59.5	-39.9	-179.1	-78	-77	-144.7	0	0	110.4	L451 S453 D578 G584	L451-E580 HydrophobicContact CD1-CG 4.28Å; S453-E580 WeakPolarHBondContact CB-OE2 3.3Å; S453-E580 PolarHBondContact N-OE1 2.89Å; S453-E580 PolarHBondContact OG-OE2 3.31Å; D578-E580 VanDerWaalsContact C-N 3.35Å; D578-E580 PolarHBondContact O-N 3.26Å; E580-G584 PolarHBondContact O-N 2.79Å
581	R	96.1	Very high	96.2	Very high	72 Å²	72	40.8 Å²	40.8	27%	0.272	20%	0.195	S	C	.	.	H	α-helix	trans	-77	-27.9	174.1	-172	176.4	171.1	169	2.5	114.3	V530 D567 L574 D578 V579 G584 F585	V530-R581 HydrophobicContact CB-CG 4.19Å; V530-R581 HydrophobicContact CG2-CG 3.9Å; D567-R581 IonicContact OD2-NE 2.77Å; D567-R581 IonicContact OD2-NH2 2.75Å; L574-R581 HydrophobicContact CD1-CB 4.18Å; L574-R581 HydrophobicContact CD1-CG 4.07Å; L574-R581 HydrophobicContact CD2-CG 4.43Å; D578-R581 HydrophobicContact CB-CB 4.16Å; D578-R581 PolarHBondContact O-N 2.9Å; D578-R581 VanDerWaalsContact OD1-CB 3.27Å; D578-R581 WeakPolarHBondContact OD1-CB 3.36Å; D578-R581 PolarHBondContact OD1-N 3.17Å; D578-R581 VanDerWaalsContact OD1-N 3.08Å; D578-R581 WeakPolarHBondContact OD2-CB 3.27Å; D578-R581 WeakPolarHBondContact OD2-CD 3.48Å; V579-R581 PolarHBondContact O-N 3.49Å; R581-G584 PolarHBondContact O-N 3.2Å; R581-F585 WeakPolarHBondContact O-CB 3.32Å; R581-F585 PolarHBondContact O-N 3.37Å
582	W	97.7	Very high	96.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-51.4	170.4	175.8	65.7	0	0	0	110.8	L574 Q575 D578 V579 G584 F585 I586 E617 L618 V624 A628	L574-W582 HydrophobicContact CD2-CB 4.27Å; L574-W582 HydrophobicContact CG-CB 3.94Å; Q575-W582 HydrophobicContact CB-CD2 3.81Å; Q575-W582 HydrophobicContact CB-CE3 4.36Å; Q575-W582 HydrophobicContact CB-CG 3.93Å; Q575-W582 HydrophobicContact CB-CZ2 4.35Å; Q575-W582 HydrophobicContact CG-CD2 3.8Å; Q575-W582 HydrophobicContact CG-CE3 3.9Å; Q575-W582 HydrophobicContact CG-CG 4.44Å; Q575-W582 HydrophobicContact CG-CH2 3.94Å; Q575-W582 HydrophobicContact CG-CZ2 3.83Å; Q575-W582 HydrophobicContact CG-CZ3 3.97Å; Q575-W582 VanDerWaalsContact NE2-CZ2 3.28Å; D578-W582 PolarHBondContact O-N 2.71Å; V579-W582 HydrophobicContact CG1-CE3 4.39Å; V579-W582 WeakPolarHBondContact O-CB 3.29Å; V579-W582 PolarHBondContact O-N 2.66Å; V579-W582 VanDerWaalsContact O-N 3.1Å; W582-G584 PolarHBondContact O-N 2.98Å; W582-F585 PolarHBondContact O-N 2.86Å; W582-I586 HydrophobicContact CD2-CD1 4.21Å; W582-I586 HydrophobicContact CG-CD1 4.49Å; W582-I586 HydrophobicContact CZ2-CD1 4.02Å; W582-I586 WeakPolarHBondContact O-CG1 3.39Å; W582-I586 PolarHBondContact O-N 2.86Å; W582-E617 HydrophobicContact CZ2-CB 4.31Å; W582-L618 HydrophobicContact CE3-CD2 4.45Å; W582-L618 HydrophobicContact CH2-CD2 3.47Å; W582-L618 VanDerWaalsContact CH2-CD2 3.47Å; W582-L618 HydrophobicContact CH2-CG 4.15Å; W582-L618 HydrophobicContact CZ2-CD2 4.01Å; W582-L618 HydrophobicContact CZ2-CG 4.34Å; W582-L618 HydrophobicContact CZ3-CD2 3.73Å; W582-V624 HydrophobicContact CZ3-CG2 4.14Å; W582-A628 HydrophobicContact CH2-CB 4.36Å; W582-A628 HydrophobicContact CZ3-CB 4.24Å
583	L	97.6	Very high	96.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.5	-34.5	173.1	-59.9	179.3	0	0	0	111.6	L451 V579 T587 L618 D627 C631	L451-L583 HydrophobicContact CD1-CD1 3.93Å; V579-L583 HydrophobicContact CG1-CD1 3.93Å; V579-L583 HydrophobicContact CG1-CG 4.09Å; V579-L583 WeakPolarHBondContact O-CG 3.44Å; V579-L583 PolarHBondContact O-N 3.17Å; L583-T587 WeakPolarHBondContact O-CB 3.38Å; L583-T587 PolarHBondContact O-N 3.02Å; L583-T587 PolarHBondContact O-OG1 3.19Å; L583-L618 HydrophobicContact CD2-CD2 3.47Å; L583-L618 VanDerWaalsContact CD2-CD2 3.47Å; L583-D627 HydrophobicContact CD1-CB 3.98Å; L583-C631 HydrophobicContact CD2-CB 3.96Å
584	G	97.7	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-55.9	-55.9	169.7	0	0	0	0	0	114.1	V530 E580 R581 W582 T587 F588	V530-G584 WeakPolarHBondContact O-CA 3.35Å; E580-G584 PolarHBondContact O-N 2.79Å; R581-G584 PolarHBondContact O-N 3.2Å; W582-G584 PolarHBondContact O-N 2.98Å; G584-T587 PolarHBondContact O-N 2.9Å; G584-F588 WeakPolarHBondContact O-CB 3.4Å; G584-F588 PolarHBondContact O-N 3.16Å
585	F	98.5	Very high	96.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-56.9	-48.5	176.7	159.9	-108.8	0	0	0	111.7	V530 L564 D567 F568 R571 L574 R581 W582 F588 L589	V530-F585 HydrophobicContact CG1-CB 4.34Å; L564-F585 HydrophobicContact CD2-CD2 4.32Å; L564-F585 HydrophobicContact CD2-CE2 4.09Å; L564-F585 WeakPolarHBondContact O-CE2 3.44Å; D567-F585 HydrophobicContact CB-CD2 3.7Å; D567-F585 HydrophobicContact CB-CE2 4.02Å; D567-F585 HydrophobicContact CB-CG 4.1Å; F568-F585 HydrophobicContact CB-CE1 4.46Å; F568-F585 HydrophobicContact CB-CE2 4.48Å; F568-F585 HydrophobicContact CB-CZ 3.74Å; F568-F585 HydrophobicContact CD2-CE1 4.4Å; F568-F585 HydrophobicContact CD2-CZ 4.13Å; F568-F585 HydrophobicContact CG-CZ 4.45Å; R571-F585 HydrophobicContact CB-CE1 4.45Å; L574-F585 HydrophobicContact CD2-CB 4.24Å; R581-F585 WeakPolarHBondContact O-CB 3.32Å; R581-F585 PolarHBondContact O-N 3.37Å; W582-F585 PolarHBondContact O-N 2.86Å; F585-F588 PolarHBondContact O-N 3.12Å; F585-L589 HydrophobicContact CE2-CB 4.42Å; F585-L589 HydrophobicContact CZ-CD2 3.99Å; F585-L589 WeakPolarHBondContact O-CB 3.35Å; F585-L589 PolarHBondContact O-N 3.18Å
586	I	98.4	Very high	96.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.9	-42.6	-179.1	-58.7	170.9	0	0	0	111.1	W582 F588 L589 C590 C614 L618	W582-I586 HydrophobicContact CD2-CD1 4.21Å; W582-I586 HydrophobicContact CG-CD1 4.49Å; W582-I586 HydrophobicContact CZ2-CD1 4.02Å; W582-I586 WeakPolarHBondContact O-CG1 3.39Å; W582-I586 PolarHBondContact O-N 2.86Å; I586-F588 VanDerWaalsContact C-N 3.32Å; I586-F588 PolarHBondContact O-N 2.83Å; I586-L589 PolarHBondContact O-N 2.94Å; I586-C590 PolarHBondContact O-N 2.91Å; I586-C590 VanDerWaalsContact O-N 3.11Å; I586-C590 PolarHBondContact O-SG 2.85Å; I586-C590 VanDerWaalsContact O-SG 3.42Å; I586-C614 HydrophobicContact CD1-CB 3.88Å; I586-C614 HydrophobicContact CG1-CB 3.83Å; I586-C614 HydrophobicContact CG2-CB 3.91Å; I586-L618 HydrophobicContact CD1-CD1 3.94Å; I586-L618 HydrophobicContact CD1-CD2 4.05Å; I586-L618 HydrophobicContact CD1-CG 3.88Å; I586-L618 HydrophobicContact CG2-CD1 3.86Å
587	T	98.2	Very high	96.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-56.5	-47.5	174.1	-52.7	0	0	0	0	110.5	R457 R533 A536 L583 G584 C590 E591	R457-T587 VanDerWaalsContact NH1-CG2 3.32Å; R457-T587 PolarHBondContact NH1-OG1 2.72Å; R533-T587 HydrophobicContact CB-CG2 4.32Å; R533-T587 PolarHBondContact NE-OG1 2.9Å; R533-T587 VanDerWaalsContact NE-OG1 3.16Å; A536-T587 HydrophobicContact CB-CG2 3.95Å; L583-T587 WeakPolarHBondContact O-CB 3.38Å; L583-T587 PolarHBondContact O-N 3.02Å; L583-T587 PolarHBondContact O-OG1 3.19Å; G584-T587 PolarHBondContact O-N 2.9Å; T587-C590 PolarHBondContact O-N 3.09Å; T587-E591 VanDerWaalsContact O-CG 3.31Å; T587-E591 WeakPolarHBondContact O-CG 3.39Å; T587-E591 PolarHBondContact O-N 3.26Å
588	F	98.5	Very high	96.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-70.8	-34.3	-178	-176.4	-129.3	0	0	0	113.5	Y526 A529 V530 A536 A539 A540 L560 L564 G584 F585 I586 E591 V592	Y526-F588 HydrophobicContact CD2-CD1 4.19Å; Y526-F588 AromaticContact CD2-CE1 3.72Å; Y526-F588 HydrophobicContact CD2-CE1 3.72Å; Y526-F588 HydrophobicContact CE2-CD1 4.12Å; Y526-F588 HydrophobicContact CE2-CE1 4.06Å; A529-F588 HydrophobicContact CB-CB 4.28Å; A529-F588 HydrophobicContact CB-CD1 3.86Å; A529-F588 HydrophobicContact CB-CD2 3.56Å; A529-F588 HydrophobicContact CB-CE1 4.03Å; A529-F588 HydrophobicContact CB-CE2 3.74Å; A529-F588 HydrophobicContact CB-CG 3.62Å; A529-F588 HydrophobicContact CB-CZ 3.97Å; V530-F588 HydrophobicContact CG1-CB 4.35Å; V530-F588 HydrophobicContact CG1-CD1 4.18Å; A536-F588 HydrophobicContact CB-CB 4.35Å; A536-F588 HydrophobicContact CB-CD2 4.33Å; A539-F588 HydrophobicContact CB-CD2 4.19Å; A539-F588 HydrophobicContact CB-CE2 3.58Å; A539-F588 HydrophobicContact CB-CZ 4.27Å; A540-F588 HydrophobicContact CB-CE2 4.47Å; L560-F588 HydrophobicContact CD1-CE1 3.95Å; L560-F588 HydrophobicContact CD1-CZ 4.02Å; L564-F588 HydrophobicContact CD2-CD1 4Å; L564-F588 HydrophobicContact CD2-CE1 4.31Å; G584-F588 WeakPolarHBondContact O-CB 3.4Å; G584-F588 PolarHBondContact O-N 3.16Å; F585-F588 PolarHBondContact O-N 3.12Å; I586-F588 VanDerWaalsContact C-N 3.32Å; I586-F588 PolarHBondContact O-N 2.83Å; F588-E591 PolarHBondContact O-N 3.46Å; F588-V592 HydrophobicContact CD1-CG2 4.5Å; F588-V592 HydrophobicContact CD2-CG2 3.97Å; F588-V592 HydrophobicContact CE1-CG2 4.12Å; F588-V592 HydrophobicContact CE2-CG2 3.55Å; F588-V592 HydrophobicContact CG-CG2 4.43Å; F588-V592 HydrophobicContact CZ-CG2 3.64Å; F588-V592 WeakPolarHBondContact O-CB 3.05Å; F588-V592 VanDerWaalsContact O-CG2 3.31Å; F588-V592 WeakPolarHBondContact O-CG2 3.23Å; F588-V592 PolarHBondContact O-N 2.88Å
589	L	98.6	Very high	95.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.7	-45.2	173.9	-178.1	69.4	0	0	0	111.4	L564 F585 I586 F593 L607 P610 I611	L564-L589 HydrophobicContact CD1-CD1 4.45Å; L564-L589 HydrophobicContact CD2-CB 4.39Å; L564-L589 HydrophobicContact CD2-CD1 4.08Å; F585-L589 HydrophobicContact CE2-CB 4.42Å; F585-L589 HydrophobicContact CZ-CD2 3.99Å; F585-L589 WeakPolarHBondContact O-CB 3.35Å; F585-L589 PolarHBondContact O-N 3.18Å; I586-L589 PolarHBondContact O-N 2.94Å; L589-F593 PolarHBondContact O-N 3.32Å; L589-F593 VanDerWaalsContact O-N 3.11Å; L589-L607 HydrophobicContact CD1-CD2 4.08Å; L589-P610 HydrophobicContact CD2-CB 4.41Å; L589-I611 HydrophobicContact CD2-CG1 3.67Å; L589-I611 HydrophobicContact CG-CD1 4.27Å; L589-I611 HydrophobicContact CG-CG1 3.65Å
590	C	98.4	Very high	95.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.6	-45.4	175.9	-67.7	0	0	0	0	112.2	I586 T587 V592 F593 C594 E635 T639	I586-C590 PolarHBondContact O-N 2.91Å; I586-C590 VanDerWaalsContact O-N 3.11Å; I586-C590 PolarHBondContact O-SG 2.85Å; I586-C590 VanDerWaalsContact O-SG 3.42Å; T587-C590 PolarHBondContact O-N 3.09Å; C590-V592 PolarHBondContact O-N 3.08Å; C590-F593 PolarHBondContact O-N 2.48Å; C590-C594 WeakPolarHBondContact O-CB 3.49Å; C590-C594 PolarHBondContact O-N 2.6Å; C590-E635 HydrophobicContact CB-CB 4.38Å; C590-E635 HydrophobicContact CB-CG 4.18Å; C590-E635 WeakPolarHBondContact CB-OE2 3.16Å; C590-T639 HydrophobicContact CB-CG2 4.45Å
591	E	97.7	Very high	94.8	Very high	41 Å²	41	25.4 Å²	25.4	19%	0.192	16%	0.155	C	C	.	.	H	α-helix	trans	-61.8	-39.4	176.5	-73	-74.6	-174.8	0	0	112.7	A536 A537 A540 T587 F588 C594 T595	A536-E591 HydrophobicContact CB-CB 4.49Å; A536-E591 HydrophobicContact CB-CG 4.04Å; A537-E591 WeakPolarHBondContact CA-OE2 3.49Å; A537-E591 HydrophobicContact CB-CG 4.48Å; A537-E591 WeakPolarHBondContact CB-OE1 3.35Å; A537-E591 WeakPolarHBondContact CB-OE2 3.35Å; A540-E591 HydrophobicContact CB-CB 3.95Å; A540-E591 WeakPolarHBondContact CB-O 3.47Å; T587-E591 VanDerWaalsContact O-CG 3.31Å; T587-E591 WeakPolarHBondContact O-CG 3.39Å; T587-E591 PolarHBondContact O-N 3.26Å; F588-E591 PolarHBondContact O-N 3.46Å; E591-C594 PolarHBondContact O-N 3.11Å; E591-T595 VanDerWaalsContact O-CB 3.22Å; E591-T595 WeakPolarHBondContact O-CB 3.46Å; E591-T595 PolarHBondContact O-N 2.77Å; E591-T595 PolarHBondContact O-OG1 3.41Å
592	V	97.7	Very high	94.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.2	-47	174.2	159.7	0	0	0	0	111.2	A540 L564 F588 C590 T595 M596 L607	A540-V592 HydrophobicContact CB-CG2 4.37Å; L564-V592 HydrophobicContact CD1-CB 4.5Å; L564-V592 HydrophobicContact CD1-CG1 4.01Å; L564-V592 HydrophobicContact CD1-CG2 4.44Å; F588-V592 HydrophobicContact CD1-CG2 4.5Å; F588-V592 HydrophobicContact CD2-CG2 3.97Å; F588-V592 HydrophobicContact CE1-CG2 4.12Å; F588-V592 HydrophobicContact CE2-CG2 3.55Å; F588-V592 HydrophobicContact CG-CG2 4.43Å; F588-V592 HydrophobicContact CZ-CG2 3.64Å; F588-V592 WeakPolarHBondContact O-CB 3.05Å; F588-V592 VanDerWaalsContact O-CG2 3.31Å; F588-V592 WeakPolarHBondContact O-CG2 3.23Å; F588-V592 PolarHBondContact O-N 2.88Å; C590-V592 PolarHBondContact O-N 3.08Å; V592-T595 PolarHBondContact O-N 3.43Å; V592-M596 HydrophobicContact CG1-CG 4.3Å; V592-M596 HydrophobicContact CG1-SD 3.77Å; V592-M596 HydrophobicContact CG2-SD 4.37Å; V592-M596 WeakPolarHBondContact O-CB 3.39Å; V592-M596 PolarHBondContact O-N 3.44Å; V592-L607 HydrophobicContact CG1-CD1 3.78Å
593	F	97.4	Very high	94.1	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.2	-40.1	177.6	173.4	-104.5	0	0	0	112.4	L589 C590 R597 P603 L607 V608 I611 T639 L642 L643 Q646	L589-F593 PolarHBondContact O-N 3.32Å; L589-F593 VanDerWaalsContact O-N 3.11Å; C590-F593 PolarHBondContact O-N 2.48Å; F593-R597 PolarHBondContact O-NH1 2.82Å; F593-P603 HydrophobicContact CD2-CB 4.3Å; F593-P603 HydrophobicContact CE2-CB 4.05Å; F593-L607 HydrophobicContact CB-CB 4.43Å; F593-L607 HydrophobicContact CB-CD1 4.23Å; F593-L607 HydrophobicContact CD2-CB 4.2Å; F593-V608 HydrophobicContact CD2-CG2 4.42Å; F593-V608 HydrophobicContact CE2-CG2 3.49Å; F593-V608 VanDerWaalsContact CE2-CG2 3.49Å; F593-V608 HydrophobicContact CZ-CG2 3.67Å; F593-I611 HydrophobicContact CB-CD1 3.47Å; F593-I611 VanDerWaalsContact CB-CD1 3.47Å; F593-I611 HydrophobicContact CD1-CD1 3.8Å; F593-I611 HydrophobicContact CD2-CD1 4.38Å; F593-I611 HydrophobicContact CG-CD1 3.64Å; F593-T639 HydrophobicContact CD1-CG2 3.66Å; F593-T639 HydrophobicContact CE1-CG2 4.06Å; F593-L642 HydrophobicContact CD1-CD2 3.98Å; F593-L642 HydrophobicContact CD1-CG 4.46Å; F593-L642 HydrophobicContact CE1-CB 4Å; F593-L642 HydrophobicContact CE1-CD2 3.62Å; F593-L642 HydrophobicContact CE1-CG 3.62Å; F593-L642 HydrophobicContact CZ-CD2 4.03Å; F593-L642 HydrophobicContact CZ-CG 3.84Å; F593-L643 HydrophobicContact CD1-CD2 4.21Å; F593-L643 HydrophobicContact CE1-CD2 3.64Å; F593-L643 HydrophobicContact CE1-CG 4.03Å; F593-L643 HydrophobicContact CZ-CD2 4.14Å; F593-Q646 HydrophobicContact CE2-CG 4.41Å; F593-Q646 HydrophobicContact CZ-CG 3.9Å
594	C	95.8	Very high	93.7	Very high	31 Å²	31	28.4 Å²	28.4	21%	0.209	17%	0.173	C	C	.	.	H	α-helix	trans	-64.5	-38.8	174.5	-92	0	0	0	0	113.1	C590 E591 R597 T639	C590-C594 WeakPolarHBondContact O-CB 3.49Å; C590-C594 PolarHBondContact O-N 2.6Å; E591-C594 PolarHBondContact O-N 3.11Å; C594-R597 VanDerWaalsContact O-CZ 3.28Å; C594-R597 PolarHBondContact O-NH1 2.93Å; C594-R597 PolarHBondContact O-NH2 2.93Å; C594-T639 PolarHBondContact SG-OG1 2.75Å
595	T	95.4	Very high	93.4	Very high	36 Å²	36	35.3 Å²	35.3	22%	0.221	20%	0.2	C	C	.	.	H	α-helix	trans	-91.8	-54	-173	-53.3	0	0	0	0	113.3	A540 K541 D544 E591 V592 R597	A540-T595 HydrophobicContact CB-CG2 4.27Å; K541-T595 HydrophobicContact CG-CG2 3.93Å; D544-T595 HydrophobicContact CB-CG2 4.22Å; E591-T595 VanDerWaalsContact O-CB 3.22Å; E591-T595 WeakPolarHBondContact O-CB 3.46Å; E591-T595 PolarHBondContact O-N 2.77Å; E591-T595 PolarHBondContact O-OG1 3.41Å; V592-T595 PolarHBondContact O-N 3.43Å; T595-R597 PolarHBondContact O-NH1 2.66Å
596	M	94.3	Very high	93	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.207	C	C	.	.			trans	-74.3	145.6	-166.3	-61.4	-173.1	68.4	0	0	112.7	C543 D544 A547 L560 V592 F604	C543-M596 HydrophobicContact CB-CE 4.1Å; C543-M596 HydrophobicContact CB-CG 4.41Å; C543-M596 HydrophobicContact CB-SD 3.61Å; C543-M596 VanDerWaalsContact O-CE 3.28Å; C543-M596 WeakPolarHBondContact O-CE 3.45Å; D544-M596 HydrophobicContact CB-CB 4.47Å; D544-M596 HydrophobicContact CB-CG 4Å; D544-M596 WeakPolarHBondContact OD1-CA 3.36Å; A547-M596 HydrophobicContact CB-CE 3.67Å; L560-M596 HydrophobicContact CD2-CE 3.99Å; L560-M596 HydrophobicContact CD2-SD 3.55Å; L560-M596 VanDerWaalsContact CD2-SD 3.55Å; V592-M596 HydrophobicContact CG1-CG 4.3Å; V592-M596 HydrophobicContact CG1-SD 3.77Å; V592-M596 HydrophobicContact CG2-SD 4.37Å; V592-M596 WeakPolarHBondContact O-CB 3.39Å; V592-M596 PolarHBondContact O-N 3.44Å; M596-F604 HydrophobicContact CB-CD2 4.11Å; M596-F604 HydrophobicContact CB-CE2 3.39Å; M596-F604 HydrophobicContact CB-CZ 3.99Å; M596-F604 HydrophobicContact CE-CE2 3.87Å; M596-F604 HydrophobicContact CE-CZ 4.31Å; M596-F604 HydrophobicContact CG-CE2 4.31Å; M596-F604 HydrophobicContact SD-CE2 4.05Å
597	R	90.5	Very high	92.9	Very high	82 Å²	82	36.6 Å²	36.6	31%	0.309	21%	0.207	S	C	.	.			trans	-127.3	154.5	176.2	-61.6	-63.4	177.1	-94	-4.7	113.4	D544 F593 C594 T595 G601	D544-R597 PolarHBondContact OD1-N 3.24Å; D544-R597 VanDerWaalsContact OD1-N 3.15Å; F593-R597 PolarHBondContact O-NH1 2.82Å; C594-R597 VanDerWaalsContact O-CZ 3.28Å; C594-R597 PolarHBondContact O-NH1 2.93Å; C594-R597 PolarHBondContact O-NH2 2.93Å; T595-R597 PolarHBondContact O-NH1 2.66Å; R597-G601 WeakPolarHBondContact CD-O 3.41Å
598	S	87.2	Confident	92.8	Very high	25 Å²	25	36.7 Å²	36.7	18%	0.175	21%	0.208	C	C	.	.			trans	-68.1	169.1	164.9	67.2	0	0	0	0	111.6	S600 G601 Q602	S598-S600 PolarHBondContact O-N 3.39Å; S598-S600 VanDerWaalsContact O-N 3.15Å; S598-S600 PolarHBondContact OG-N 2.95Å; S598-S600 PolarHBondContact OG-OG 2.86Å; S598-G601 PolarHBondContact O-N 3.26Å; S598-G601 PolarHBondContact OG-N 2.84Å; S598-Q602 PolarHBondContact N-O 3.28Å; S598-Q602 PolarHBondContact OG-N 3.14Å; S598-Q602 PolarHBondContact OG-O 2.96Å
599	S	84.4	Confident	92.7	Very high	114 Å²	114	38.7 Å²	38.7	80%	0.797	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.3	167.9	52.2	0	0	0	0	114
600	S	85.3	Confident	92.6	Very high	87 Å²	87	38.7 Å²	38.7	61%	0.608	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	5.3	171.6	57.3	0	0	0	0	114.1	S598 Q602	S598-S600 PolarHBondContact O-N 3.39Å; S598-S600 VanDerWaalsContact O-N 3.15Å; S598-S600 PolarHBondContact OG-N 2.95Å; S598-S600 PolarHBondContact OG-OG 2.86Å; S600-Q602 VanDerWaalsContact C-N 3.31Å; S600-Q602 PolarHBondContact O-N 3.26Å
601	G	86.1	Confident	92.7	Very high	46 Å²	46	38.7 Å²	38.7	47%	0.474	22%	0.221	S	C	.	.	S	Bend	trans	74.6	15.9	-179.4	0	0	0	0	0	114.6	R597 S598	R597-G601 WeakPolarHBondContact CD-O 3.41Å; S598-G601 PolarHBondContact O-N 3.26Å; S598-G601 PolarHBondContact OG-N 2.84Å
602	Q	87.9	Confident	92.7	Very high	109 Å²	109	36.9 Å²	36.9	51%	0.509	21%	0.213	S	C	.	.			trans	-104.6	155	-170.8	-65.5	-59.9	-39.6	0	0	113.6	S598 S600	S598-Q602 PolarHBondContact N-O 3.28Å; S598-Q602 PolarHBondContact OG-N 3.14Å; S598-Q602 PolarHBondContact OG-O 2.96Å; S600-Q602 VanDerWaalsContact C-N 3.31Å; S600-Q602 PolarHBondContact O-N 3.26Å
603	P	90.6	Very high	92.7	Very high	17 Å²	17	39.1 Å²	39.1	11%	0.11	23%	0.226	C	C	.	.			trans	-30.1	138.3	157.9	45.3	-31	0	0	0	116.6	F593 R605 L642	F593-P603 HydrophobicContact CD2-CB 4.3Å; F593-P603 HydrophobicContact CE2-CB 4.05Å; P603-R605 VanDerWaalsContact C-N 3.27Å; P603-R605 PolarHBondContact O-N 3.44Å; P603-L642 HydrophobicContact CG-CD1 3.99Å; P603-L642 HydrophobicContact CG-CD2 4.01Å; P603-L642 HydrophobicContact CG-CG 4.34Å
604	F	89.5	Confident	92.8	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.035	23%	0.226	C	C	.	.			trans	-77.6	82.5	155.7	-61.3	-29.2	0	0	0	109.2	M596 V606 L607	M596-F604 HydrophobicContact CB-CD2 4.11Å; M596-F604 HydrophobicContact CB-CE2 3.39Å; M596-F604 HydrophobicContact CB-CZ 3.99Å; M596-F604 HydrophobicContact CE-CE2 3.87Å; M596-F604 HydrophobicContact CE-CZ 4.31Å; M596-F604 HydrophobicContact CG-CE2 4.31Å; M596-F604 HydrophobicContact SD-CE2 4.05Å; F604-V606 HydrophobicContact CB-CG2 4.31Å; F604-V606 PolarHBondContact O-N 2.9Å; F604-L607 HydrophobicContact CB-CD1 4.07Å; F604-L607 HydrophobicContact CB-CG 4.12Å; F604-L607 HydrophobicContact CD2-CD1 4.35Å; F604-L607 PolarHBondContact O-N 3.22Å
605	R	90.7	Very high	92.9	Very high	146 Å²	146	37.6 Å²	37.6	55%	0.551	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-52.8	-28.6	-176.8	-80.1	-169.6	163.8	-127.6	-11.2	114.2	P603 L607 V608	P603-R605 VanDerWaalsContact C-N 3.27Å; P603-R605 PolarHBondContact O-N 3.44Å; R605-L607 PolarHBondContact O-N 3.27Å; R605-L607 VanDerWaalsContact O-N 3.16Å; R605-V608 WeakPolarHBondContact O-CB 3.42Å; R605-V608 VanDerWaalsContact O-CG2 3.27Å; R605-V608 WeakPolarHBondContact O-CG2 3.4Å; R605-V608 PolarHBondContact O-N 3.49Å
606	V	91.1	Very high	93	Very high	27 Å²	27	39.3 Å²	39.3	16%	0.164	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-58	-22.3	174	-67.9	0	0	0	0	114.8	T137 W140 F604 P610	T137-V606 HydrophobicContact CG2-CG1 3.54Å; T137-V606 WeakPolarHBondContact O-CG1 3.33Å; W140-V606 HydrophobicContact CB-CB 3.71Å; W140-V606 HydrophobicContact CB-CG1 4.1Å; W140-V606 HydrophobicContact CB-CG2 4.4Å; W140-V606 HydrophobicContact CG-CB 4.24Å; W140-V606 HydrophobicContact CG-CG2 4.48Å; F604-V606 HydrophobicContact CB-CG2 4.31Å; F604-V606 PolarHBondContact O-N 2.9Å; V606-P610 WeakPolarHBondContact O-CD 3.41Å; V606-P610 WeakPolarHBondContact O-CG 3.4Å
607	L	95.6	Very high	93.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-87	-10.8	177.8	-55	-177.8	0	0	0	113.3	W140 L561 L589 V592 F593 F604 R605 P610 I611	W140-L607 HydrophobicContact CD2-CD2 4.48Å; W140-L607 HydrophobicContact CH2-CD2 4.32Å; W140-L607 HydrophobicContact CZ2-CD2 3.94Å; L561-L607 HydrophobicContact CD2-CD1 4.45Å; L561-L607 HydrophobicContact CD2-CD2 4.03Å; L589-L607 HydrophobicContact CD1-CD2 4.08Å; V592-L607 HydrophobicContact CG1-CD1 3.78Å; F593-L607 HydrophobicContact CB-CB 4.43Å; F593-L607 HydrophobicContact CB-CD1 4.23Å; F593-L607 HydrophobicContact CD2-CB 4.2Å; F604-L607 HydrophobicContact CB-CD1 4.07Å; F604-L607 HydrophobicContact CB-CG 4.12Å; F604-L607 HydrophobicContact CD2-CD1 4.35Å; F604-L607 PolarHBondContact O-N 3.22Å; R605-L607 PolarHBondContact O-N 3.27Å; R605-L607 VanDerWaalsContact O-N 3.16Å; L607-P610 WeakPolarHBondContact O-CD 3.47Å; L607-I611 HydrophobicContact CB-CD1 4.2Å; L607-I611 WeakPolarHBondContact O-CB 3.15Å; L607-I611 WeakPolarHBondContact O-CD1 3.44Å; L607-I611 WeakPolarHBondContact O-CG1 3.39Å; L607-I611 PolarHBondContact O-N 3.03Å
608	V	95.8	Very high	93.5	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-66.1	-55	-171.5	177.8	0	0	0	0	111.8	F593 R605 I611 Y612 L643 Q646 L647	F593-V608 HydrophobicContact CD2-CG2 4.42Å; F593-V608 HydrophobicContact CE2-CG2 3.49Å; F593-V608 VanDerWaalsContact CE2-CG2 3.49Å; F593-V608 HydrophobicContact CZ-CG2 3.67Å; R605-V608 WeakPolarHBondContact O-CB 3.42Å; R605-V608 VanDerWaalsContact O-CG2 3.27Å; R605-V608 WeakPolarHBondContact O-CG2 3.4Å; R605-V608 PolarHBondContact O-N 3.49Å; V608-I611 PolarHBondContact O-N 3.14Å; V608-Y612 HydrophobicContact CG1-CD2 3.77Å; V608-Y612 HydrophobicContact CG1-CE2 3.56Å; V608-Y612 VanDerWaalsContact O-CD2 3.27Å; V608-Y612 WeakPolarHBondContact O-CD2 3.35Å; V608-Y612 PolarHBondContact O-N 3.04Å; V608-L643 HydrophobicContact CG1-CD2 4.14Å; V608-Q646 HydrophobicContact CG1-CB 4.08Å; V608-Q646 HydrophobicContact CG2-CB 3.82Å; V608-Q646 HydrophobicContact CG2-CG 3.79Å; V608-L647 HydrophobicContact CG1-CB 4.32Å; V608-L647 HydrophobicContact CG1-CD1 3.8Å; V608-L647 HydrophobicContact CG1-CG 4.08Å
609	C	96.6	Very high	94	Very high	42 Å²	42	36 Å²	36	28%	0.284	20%	0.204	S	C	.	.	H	α-helix	trans	-61.8	-45.6	178	-52.2	0	0	0	0	112	T144 I611 Y612 T613	T144-C609 HydrophobicContact CG2-CB 4.01Å; C609-I611 VanDerWaalsContact C-N 3.31Å; C609-I611 PolarHBondContact O-N 3.15Å; C609-Y612 PolarHBondContact O-N 3.29Å; C609-Y612 VanDerWaalsContact O-N 3.12Å; C609-T613 PolarHBondContact O-N 3.17Å; C609-T613 PolarHBondContact O-OG1 2.88Å
610	P	97.8	Very high	94.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-52.4	-41.7	171	-30.3	35.5	0	0	0	114.8	W140 F568 L589 V606 L607 T613 C614	W140-P610 HydrophobicContact CE3-CB 4.46Å; W140-P610 HydrophobicContact CE3-CG 3.56Å; W140-P610 HydrophobicContact CH2-CB 4.37Å; W140-P610 HydrophobicContact CH2-CG 4.31Å; W140-P610 HydrophobicContact CZ3-CB 3.71Å; W140-P610 HydrophobicContact CZ3-CG 3.29Å; F568-P610 HydrophobicContact CD2-CB 4.01Å; F568-P610 HydrophobicContact CE1-CB 4.32Å; F568-P610 HydrophobicContact CE1-CG 4.41Å; F568-P610 HydrophobicContact CE2-CB 3.69Å; F568-P610 HydrophobicContact CG-CB 4.47Å; F568-P610 HydrophobicContact CZ-CB 3.86Å; F568-P610 HydrophobicContact CZ-CG 4.3Å; L589-P610 HydrophobicContact CD2-CB 4.41Å; V606-P610 WeakPolarHBondContact O-CD 3.41Å; V606-P610 WeakPolarHBondContact O-CG 3.4Å; L607-P610 WeakPolarHBondContact O-CD 3.47Å; P610-T613 PolarHBondContact O-N 2.74Å; P610-C614 WeakPolarHBondContact O-CB 3.31Å; P610-C614 PolarHBondContact O-N 3.02Å; P610-C614 PolarHBondContact O-SG 3.32Å
611	I	98.5	Very high	94.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.9	-45.3	176	-71	164	0	0	0	110.6	L589 F593 L607 V608 C609 T613 C614 L615 L643	L589-I611 HydrophobicContact CD2-CG1 3.67Å; L589-I611 HydrophobicContact CG-CD1 4.27Å; L589-I611 HydrophobicContact CG-CG1 3.65Å; F593-I611 HydrophobicContact CB-CD1 3.47Å; F593-I611 VanDerWaalsContact CB-CD1 3.47Å; F593-I611 HydrophobicContact CD1-CD1 3.8Å; F593-I611 HydrophobicContact CD2-CD1 4.38Å; F593-I611 HydrophobicContact CG-CD1 3.64Å; L607-I611 HydrophobicContact CB-CD1 4.2Å; L607-I611 WeakPolarHBondContact O-CB 3.15Å; L607-I611 WeakPolarHBondContact O-CD1 3.44Å; L607-I611 WeakPolarHBondContact O-CG1 3.39Å; L607-I611 PolarHBondContact O-N 3.03Å; V608-I611 PolarHBondContact O-N 3.14Å; C609-I611 VanDerWaalsContact C-N 3.31Å; C609-I611 PolarHBondContact O-N 3.15Å; I611-T613 VanDerWaalsContact C-N 3.33Å; I611-T613 PolarHBondContact O-N 3.44Å; I611-C614 PolarHBondContact O-N 2.77Å; I611-L615 HydrophobicContact CG2-CD1 3.67Å; I611-L615 HydrophobicContact CG2-CG 4.11Å; I611-L615 WeakPolarHBondContact O-CB 3.42Å; I611-L615 VanDerWaalsContact O-CG 3.27Å; I611-L615 WeakPolarHBondContact O-CG 3.37Å; I611-L615 PolarHBondContact O-N 3.33Å; I611-L643 HydrophobicContact CB-CD2 4.09Å; I611-L643 HydrophobicContact CD1-CD2 4.36Å; I611-L643 HydrophobicContact CG2-CD1 3.67Å; I611-L643 HydrophobicContact CG2-CD2 3.79Å; I611-L643 HydrophobicContact CG2-CG 4.35Å
612	Y	98.5	Very high	95	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-39.8	176	-81.2	-65	0	0	0	113.2	V608 C609 L615 R616 L643 L647 M650 M651 L654	V608-Y612 HydrophobicContact CG1-CD2 3.77Å; V608-Y612 HydrophobicContact CG1-CE2 3.56Å; V608-Y612 VanDerWaalsContact O-CD2 3.27Å; V608-Y612 WeakPolarHBondContact O-CD2 3.35Å; V608-Y612 PolarHBondContact O-N 3.04Å; C609-Y612 PolarHBondContact O-N 3.29Å; C609-Y612 VanDerWaalsContact O-N 3.12Å; Y612-L615 PolarHBondContact O-N 3.39Å; Y612-R616 WeakPolarHBondContact O-CB 3.21Å; Y612-R616 PolarHBondContact O-N 2.89Å; Y612-L643 HydrophobicContact CE1-CB 4.35Å; Y612-L643 HydrophobicContact CE2-CB 4.13Å; Y612-L643 HydrophobicContact CE2-CD2 4.29Å; Y612-L643 VanDerWaalsContact OH-C 3.24Å; Y612-L643 WeakPolarHBondContact OH-CB 3.46Å; Y612-L643 PolarHBondContact OH-O 3.21Å; Y612-L643 VanDerWaalsContact OH-O 3.12Å; Y612-L647 HydrophobicContact CE2-CB 4.14Å; Y612-L647 PolarHBondContact OH-O 2.56Å; Y612-M650 HydrophobicContact CD1-CB 3.9Å; Y612-M650 HydrophobicContact CD2-CB 3.64Å; Y612-M650 HydrophobicContact CD2-CE 4.08Å; Y612-M650 HydrophobicContact CD2-CG 4.24Å; Y612-M650 HydrophobicContact CD2-SD 3.61Å; Y612-M650 HydrophobicContact CE1-CB 3.83Å; Y612-M650 HydrophobicContact CE2-CB 3.53Å; Y612-M650 HydrophobicContact CE2-CG 4.38Å; Y612-M650 HydrophobicContact CE2-SD 4.18Å; Y612-M650 HydrophobicContact CG-CB 3.82Å; Y612-M650 HydrophobicContact CG-CE 3.97Å; Y612-M650 HydrophobicContact CG-SD 4.11Å; Y612-M651 HydrophobicContact CE1-CB 4.32Å; Y612-M651 HydrophobicContact CE1-CE 3.99Å; Y612-M651 WeakPolarHBondContact OH-CB 3.3Å; Y612-M651 PolarHBondContact OH-N 3.38Å; Y612-L654 HydrophobicContact CD1-CB 4.39Å; Y612-L654 HydrophobicContact CD1-CD2 3.93Å; Y612-L654 HydrophobicContact CE1-CD2 4.15Å
613	T	98.1	Very high	94.8	Very high	47 Å²	47	37.6 Å²	37.6	29%	0.288	19%	0.19	S	C	.	.	H	α-helix	trans	-59.2	-54.1	173.1	-61.8	0	0	0	0	110.7	F568 C609 P610 I611 L615 R616 E617	F568-T613 HydrophobicContact CE2-CG2 4.24Å; F568-T613 HydrophobicContact CZ-CG2 4.2Å; C609-T613 PolarHBondContact O-N 3.17Å; C609-T613 PolarHBondContact O-OG1 2.88Å; P610-T613 PolarHBondContact O-N 2.74Å; I611-T613 VanDerWaalsContact C-N 3.33Å; I611-T613 PolarHBondContact O-N 3.44Å; T613-L615 VanDerWaalsContact C-N 3.34Å; T613-L615 PolarHBondContact O-N 3Å; T613-R616 PolarHBondContact O-N 3.48Å; T613-R616 VanDerWaalsContact O-N 3.13Å; T613-E617 VanDerWaalsContact CG2-OE1 3.29Å; T613-E617 WeakPolarHBondContact CG2-OE1 3.38Å; T613-E617 WeakPolarHBondContact O-CG 3.19Å; T613-E617 PolarHBondContact O-N 3.36Å
614	C	98.5	Very high	94.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59	-40.2	178.2	-71.5	0	0	0	0	113.1	I586 P610 I611 R616 E617 L618	I586-C614 HydrophobicContact CD1-CB 3.88Å; I586-C614 HydrophobicContact CG1-CB 3.83Å; I586-C614 HydrophobicContact CG2-CB 3.91Å; P610-C614 WeakPolarHBondContact O-CB 3.31Å; P610-C614 PolarHBondContact O-N 3.02Å; P610-C614 PolarHBondContact O-SG 3.32Å; I611-C614 PolarHBondContact O-N 2.77Å; C614-R616 VanDerWaalsContact C-N 3.33Å; C614-R616 PolarHBondContact O-N 3.42Å; C614-E617 PolarHBondContact O-N 3.19Å; C614-L618 VanDerWaalsContact O-CG 3.28Å; C614-L618 WeakPolarHBondContact O-CG 3.23Å; C614-L618 PolarHBondContact O-N 2.75Å
615	L	98.5	Very high	94.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-32.3	177.5	-70.1	172.9	0	0	0	112.5	I611 Y612 T613 L618 L619 C632 E635 L636 L643 L654	I611-L615 HydrophobicContact CG2-CD1 3.67Å; I611-L615 HydrophobicContact CG2-CG 4.11Å; I611-L615 WeakPolarHBondContact O-CB 3.42Å; I611-L615 VanDerWaalsContact O-CG 3.27Å; I611-L615 WeakPolarHBondContact O-CG 3.37Å; I611-L615 PolarHBondContact O-N 3.33Å; Y612-L615 PolarHBondContact O-N 3.39Å; T613-L615 VanDerWaalsContact C-N 3.34Å; T613-L615 PolarHBondContact O-N 3Å; L615-L618 HydrophobicContact CD2-CD1 4.33Å; L615-L619 WeakPolarHBondContact O-CG 3.38Å; L615-L619 PolarHBondContact O-N 2.69Å; L615-C632 PolarHBondContact O-SG 3.47Å; L615-E635 HydrophobicContact CD2-CB 3.84Å; L615-E635 HydrophobicContact CD2-CG 4.49Å; L615-L636 HydrophobicContact CD1-CD2 3.96Å; L615-L636 HydrophobicContact CD1-CG 4.37Å; L615-L643 HydrophobicContact CD1-CD1 3.79Å; L615-L654 HydrophobicContact CB-CD1 4.14Å; L615-L654 HydrophobicContact CB-CD2 3.82Å; L615-L654 HydrophobicContact CD1-CD2 3.86Å; L615-L654 HydrophobicContact CG-CD2 4.49Å
616	R	97.9	Very high	95	Very high	71 Å²	71	35 Å²	35	27%	0.268	18%	0.184	S	C	.	.	H	α-helix	trans	-72.6	-43.8	173.5	-164.4	177	-58.8	-149.4	3.4	111.4	Y612 T613 C614 L618 L619 E620 E653 L654	Y612-R616 WeakPolarHBondContact O-CB 3.21Å; Y612-R616 PolarHBondContact O-N 2.89Å; T613-R616 PolarHBondContact O-N 3.48Å; T613-R616 VanDerWaalsContact O-N 3.13Å; C614-R616 VanDerWaalsContact C-N 3.33Å; C614-R616 PolarHBondContact O-N 3.42Å; R616-L618 VanDerWaalsContact C-N 3.27Å; R616-L618 PolarHBondContact O-N 3.16Å; R616-L619 CarbonylContact O-C 3.55Å; R616-L619 WeakPolarHBondContact O-CA 3.23Å; R616-L619 WeakPolarHBondContact O-CB 3.36Å; R616-L619 PolarHBondContact O-N 2.91Å; R616-E620 WeakPolarHBondContact CG-OE1 3.43Å; R616-E620 PolarHBondContact O-N 2.8Å; R616-E653 IonicContact CZ-OE2 3.83Å; R616-E653 IonicContact NH1-OE2 3.96Å; R616-E653 PolarHBondContact NH1-OE2 3.1Å; R616-E653 IonicContact NH2-OE2 2.72Å; R616-E653 PolarHBondContact NH2-OE2 2.96Å; R616-L654 HydrophobicContact CB-CD1 4.39Å
617	E	96.9	Very high	95.3	Very high	26 Å²	26	34 Å²	34	12%	0.121	18%	0.178	C	C	.	.	H	α-helix	trans	-60.2	-34.3	175.2	-71.7	168.7	-178.3	0	0	112.8	R571 W582 T613 C614 L619 E620 S621	R571-E617 WeakPolarHBondContact CD-OE2 3.2Å; R571-E617 IonicContact CZ-OE1 2.73Å; R571-E617 VanDerWaalsContact NE-CD 3.34Å; R571-E617 IonicContact NE-OE1 3.98Å; R571-E617 PolarHBondContact NE-OE1 3.25Å; R571-E617 IonicContact NE-OE2 3.88Å; R571-E617 PolarHBondContact NE-OE2 3Å; R571-E617 VanDerWaalsContact NE-OE2 3.16Å; R571-E617 IonicContact NH2-OE1 3.81Å; R571-E617 PolarHBondContact NH2-OE1 3.1Å; W582-E617 HydrophobicContact CZ2-CB 4.31Å; T613-E617 VanDerWaalsContact CG2-OE1 3.29Å; T613-E617 WeakPolarHBondContact CG2-OE1 3.38Å; T613-E617 WeakPolarHBondContact O-CG 3.19Å; T613-E617 PolarHBondContact O-N 3.36Å; C614-E617 PolarHBondContact O-N 3.19Å; E617-L619 VanDerWaalsContact C-N 3.31Å; E617-L619 PolarHBondContact O-N 3.34Å; E617-E620 PolarHBondContact O-N 3.4Å; E617-S621 PolarHBondContact O-N 2.93Å
618	L	98.1	Very high	95.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66	-30.5	171.2	-72.9	167.9	0	0	0	113.2	W582 L583 I586 C614 L615 R616 A628 C631 C632	W582-L618 HydrophobicContact CE3-CD2 4.45Å; W582-L618 HydrophobicContact CH2-CD2 3.47Å; W582-L618 VanDerWaalsContact CH2-CD2 3.47Å; W582-L618 HydrophobicContact CH2-CG 4.15Å; W582-L618 HydrophobicContact CZ2-CD2 4.01Å; W582-L618 HydrophobicContact CZ2-CG 4.34Å; W582-L618 HydrophobicContact CZ3-CD2 3.73Å; L583-L618 HydrophobicContact CD2-CD2 3.47Å; L583-L618 VanDerWaalsContact CD2-CD2 3.47Å; I586-L618 HydrophobicContact CD1-CD1 3.94Å; I586-L618 HydrophobicContact CD1-CD2 4.05Å; I586-L618 HydrophobicContact CD1-CG 3.88Å; I586-L618 HydrophobicContact CG2-CD1 3.86Å; C614-L618 VanDerWaalsContact O-CG 3.28Å; C614-L618 WeakPolarHBondContact O-CG 3.23Å; C614-L618 PolarHBondContact O-N 2.75Å; L615-L618 HydrophobicContact CD2-CD1 4.33Å; R616-L618 VanDerWaalsContact C-N 3.27Å; R616-L618 PolarHBondContact O-N 3.16Å; L618-A628 HydrophobicContact CB-CB 4.42Å; L618-A628 HydrophobicContact CD2-CB 3.79Å; L618-A628 WeakPolarHBondContact O-CB 3.31Å; L618-C631 HydrophobicContact CD1-CB 4.2Å; L618-C631 HydrophobicContact CD2-CB 4.1Å; L618-C632 HydrophobicContact CB-CB 3.83Å; L618-C632 HydrophobicContact CD1-CB 4.1Å
619	L	97.3	Very high	95.4	Very high	11 Å²	11	34 Å²	34	6%	0.058	18%	0.178	C	C	.	.	H	α-helix	trans	-80.8	-26.5	172.8	-64.1	171.2	0	0	0	112	L615 R616 E617 C632 L654 A657 V658 K661 L675	L615-L619 WeakPolarHBondContact O-CG 3.38Å; L615-L619 PolarHBondContact O-N 2.69Å; R616-L619 CarbonylContact O-C 3.55Å; R616-L619 WeakPolarHBondContact O-CA 3.23Å; R616-L619 WeakPolarHBondContact O-CB 3.36Å; R616-L619 PolarHBondContact O-N 2.91Å; E617-L619 VanDerWaalsContact C-N 3.31Å; E617-L619 PolarHBondContact O-N 3.34Å; L619-C632 HydrophobicContact CD2-CB 4.44Å; L619-L654 HydrophobicContact CD1-CD1 3.63Å; L619-A657 HydrophobicContact CD1-CB 4.19Å; L619-V658 HydrophobicContact CD1-CG2 3.6Å; L619-V658 HydrophobicContact CD2-CG2 4.28Å; L619-K661 HydrophobicContact CB-CD 4.38Å; L619-K661 HydrophobicContact CD2-CD 4.2Å; L619-K661 VanDerWaalsContact O-CD 3.23Å; L619-K661 WeakPolarHBondContact O-CD 3.17Å; L619-K661 WeakPolarHBondContact O-CE 3.35Å; L619-K661 PolarHBondContact O-NZ 2.96Å; L619-L675 HydrophobicContact CD2-CD1 4.42Å; L619-L675 HydrophobicContact CD2-CD2 3.89Å
620	E	95.3	Very high	95.5	Very high	130 Å²	130	32 Å²	32	61%	0.607	17%	0.165	S	C	*	.	H	α-helix	trans	-85.2	-21	178.5	-71	167.4	-175.7	0	0	112.8	R616 E617 T622	R616-E620 WeakPolarHBondContact CG-OE1 3.43Å; R616-E620 PolarHBondContact O-N 2.8Å; E617-E620 PolarHBondContact O-N 3.4Å; E620-T622 PolarHBondContact O-N 2.8Å
621	S	93.3	Very high	95.5	Very high	9 Å²	9	32 Å²	32	6%	0.063	17%	0.165	C	C	.	.			trans	-57.5	126.5	-179.9	-168.9	0	0	0	0	114.2	Q575 E617	Q575-S621 PolarHBondContact NE2-OG 2.7Å; E617-S621 PolarHBondContact O-N 2.93Å
622	T	88.8	Confident	95.5	Very high	104 Å²	104	32 Å²	32	64%	0.638	17%	0.165	S	C	*	.	S	Bend	trans	-93.5	-43.1	177.6	44.5	0	0	0	0	113.3	E620 K625	E620-T622 PolarHBondContact O-N 2.8Å; T622-K625 WeakPolarHBondContact O-CB 3.47Å
623	D	84.4	Confident	95.5	Very high	147 Å²	147	31.9 Å²	31.9	79%	0.786	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-31.4	-160.5	-51.6	-16.1	0	0	0	112.1
624	V	89	Confident	95.4	Very high	33 Å²	33	30.4 Å²	30.4	20%	0.2	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	38	177.1	-67	0	0	0	0	110.7	V579 W582 E626 D627 A628	V579-V624 HydrophobicContact CG1-CB 4.13Å; V579-V624 HydrophobicContact CG1-CG1 4.01Å; V579-V624 HydrophobicContact CG1-CG2 3.79Å; V579-V624 HydrophobicContact CG2-CG1 4Å; V579-V624 HydrophobicContact CG2-CG2 4.25Å; W582-V624 HydrophobicContact CZ3-CG2 4.14Å; V624-E626 VanDerWaalsContact C-N 3.33Å; V624-E626 PolarHBondContact O-N 2.6Å; V624-E626 VanDerWaalsContact O-N 3.16Å; V624-D627 PolarHBondContact O-N 2.83Å; V624-A628 WeakPolarHBondContact O-CB 3.32Å; V624-A628 PolarHBondContact O-N 3.41Å
625	K	91.4	Very high	95.4	Very high	49 Å²	49	30.4 Å²	30.4	21%	0.213	15%	0.154	C	C	.	.	H	α-helix	trans	-42.9	-48.4	-171.9	-179	173.5	-175.4	167.9	0	115	T622 V629 T666 E667	T622-K625 WeakPolarHBondContact O-CB 3.47Å; K625-V629 WeakPolarHBondContact O-CB 3.23Å; K625-V629 VanDerWaalsContact O-CG2 3.23Å; K625-V629 WeakPolarHBondContact O-CG2 3.34Å; K625-V629 PolarHBondContact O-N 3.23Å; K625-T666 PolarHBondContact NZ-O 3.39Å; K625-E667 WeakPolarHBondContact CE-OE1 3.33Å; K625-E667 WeakPolarHBondContact CE-OE2 3.3Å; K625-E667 VanDerWaalsContact NZ-CD 3.31Å; K625-E667 IonicContact NZ-OE1 3.93Å; K625-E667 PolarHBondContact NZ-OE1 2.97Å; K625-E667 IonicContact NZ-OE2 2.65Å; K625-E667 PolarHBondContact NZ-OE2 3.27Å
626	E	94.8	Very high	95.4	Very high	34 Å²	34	30.4 Å²	30.4	16%	0.159	16%	0.155	C	C	.	.	H	α-helix	trans	-78.3	-37.8	-173.7	-56.9	-163.4	112.6	0	0	112.3	V448 L450 V624 L630 S668	V448-E626 WeakPolarHBondContact CA-OE2 3.44Å; V448-E626 WeakPolarHBondContact CG1-OE2 3.19Å; L450-E626 HydrophobicContact CD2-CB 3.76Å; V624-E626 VanDerWaalsContact C-N 3.33Å; V624-E626 PolarHBondContact O-N 2.6Å; V624-E626 VanDerWaalsContact O-N 3.16Å; E626-L630 WeakPolarHBondContact O-CB 3.17Å; E626-L630 PolarHBondContact O-N 2.71Å; E626-S668 WeakPolarHBondContact OE1-CB 3.43Å; E626-S668 PolarHBondContact OE1-OG 3.22Å
627	D	96.1	Very high	95.3	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.043	16%	0.155	C	C	.	.	H	α-helix	trans	-66.4	-39.8	172.8	-72.7	-80.6	0	0	0	112.7	L450 L451 S454 L583 V624 C631	L450-D627 WeakPolarHBondContact CA-OD2 3.44Å; L450-D627 HydrophobicContact CD2-CB 4.49Å; L451-D627 VanDerWaalsContact CB-OD1 3.3Å; L451-D627 WeakPolarHBondContact CB-OD1 3.37Å; L451-D627 HydrophobicContact CD1-CB 4.17Å; L451-D627 HydrophobicContact CG-CB 4.47Å; L451-D627 PolarHBondContact N-OD1 2.91Å; L451-D627 PolarHBondContact N-OD2 3.37Å; S454-D627 WeakPolarHBondContact CB-OD1 2.97Å; S454-D627 PolarHBondContact OG-OD1 3.46Å; L583-D627 HydrophobicContact CD1-CB 3.98Å; V624-D627 PolarHBondContact O-N 2.83Å; D627-C631 WeakPolarHBondContact O-CB 3.31Å; D627-C631 PolarHBondContact O-N 2.86Å
628	A	97.3	Very high	95.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.2	-47.4	177.3	0	0	0	0	0	111.5	W582 L618 V624 C631 C632	W582-A628 HydrophobicContact CH2-CB 4.36Å; W582-A628 HydrophobicContact CZ3-CB 4.24Å; L618-A628 HydrophobicContact CB-CB 4.42Å; L618-A628 HydrophobicContact CD2-CB 3.79Å; L618-A628 WeakPolarHBondContact O-CB 3.31Å; V624-A628 WeakPolarHBondContact O-CB 3.32Å; V624-A628 PolarHBondContact O-N 3.41Å; A628-C631 WeakPolarHBondContact O-CB 3.23Å; A628-C631 PolarHBondContact O-N 2.94Å; A628-C632 PolarHBondContact O-N 3.4Å
629	V	97.7	Very high	95.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.8	-43.3	174.1	165	0	0	0	0	111.5	K625 C631 C632 S633 K661 T671 L674 L675	K625-V629 WeakPolarHBondContact O-CB 3.23Å; K625-V629 VanDerWaalsContact O-CG2 3.23Å; K625-V629 WeakPolarHBondContact O-CG2 3.34Å; K625-V629 PolarHBondContact O-N 3.23Å; V629-C631 PolarHBondContact O-N 3.43Å; V629-C632 PolarHBondContact O-N 2.99Å; V629-S633 WeakPolarHBondContact O-CB 3.46Å; V629-S633 PolarHBondContact O-N 3.28Å; V629-S633 PolarHBondContact O-OG 2.8Å; V629-K661 HydrophobicContact CG2-CD 4.03Å; V629-T671 HydrophobicContact CG1-CG2 3.93Å; V629-T671 HydrophobicContact CG2-CG2 4.03Å; V629-L674 HydrophobicContact CG1-CB 4.16Å; V629-L674 HydrophobicContact CG1-CD1 4.08Å; V629-L675 HydrophobicContact CG1-CD1 4.49Å; V629-L675 HydrophobicContact CG1-CD2 3.97Å; V629-L675 HydrophobicContact CG1-CG 4.01Å
630	L	97.4	Very high	95.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-59.8	-46.1	175	176.5	62.4	0	0	0	110.9	L450 L458 E626 C632 S633 L634 L674	L450-L630 HydrophobicContact CD1-CD2 4.14Å; L450-L630 HydrophobicContact CD2-CD2 4.39Å; L458-L630 HydrophobicContact CB-CD2 4.15Å; L458-L630 HydrophobicContact CD1-CD1 4.26Å; L458-L630 HydrophobicContact CD2-CD2 4.49Å; E626-L630 WeakPolarHBondContact O-CB 3.17Å; E626-L630 PolarHBondContact O-N 2.71Å; L630-C632 PolarHBondContact O-N 3.42Å; L630-S633 PolarHBondContact O-N 3.3Å; L630-S633 PolarHBondContact O-OG 2.67Å; L630-L634 HydrophobicContact CD1-CD1 4.02Å; L630-L634 HydrophobicContact CD1-CG 4.1Å; L630-L634 HydrophobicContact CG-CD1 4.13Å; L630-L634 VanDerWaalsContact O-CG 3.31Å; L630-L634 WeakPolarHBondContact O-CG 3.15Å; L630-L634 PolarHBondContact O-N 2.99Å; L630-L674 HydrophobicContact CB-CD1 4.07Å; L630-L674 HydrophobicContact CD1-CD1 4.15Å; L630-L674 HydrophobicContact CD1-CD2 3.82Å
631	C	98.2	Very high	95.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.8	-50.4	175.2	-161.5	0	0	0	0	111.6	R533 L583 L618 D627 A628 V629 S633 L634 E635	R533-C631 PolarHBondContact NH2-SG 3.16Å; L583-C631 HydrophobicContact CD2-CB 3.96Å; L618-C631 HydrophobicContact CD1-CB 4.2Å; L618-C631 HydrophobicContact CD2-CB 4.1Å; D627-C631 WeakPolarHBondContact O-CB 3.31Å; D627-C631 PolarHBondContact O-N 2.86Å; A628-C631 WeakPolarHBondContact O-CB 3.23Å; A628-C631 PolarHBondContact O-N 2.94Å; V629-C631 PolarHBondContact O-N 3.43Å; C631-S633 VanDerWaalsContact C-N 3.32Å; C631-S633 PolarHBondContact O-N 3.26Å; C631-L634 PolarHBondContact O-N 3.39Å; C631-E635 WeakPolarHBondContact O-CG 3.21Å; C631-E635 PolarHBondContact O-N 3.19Å
632	C	98.5	Very high	95.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.8	-42.3	179.2	-172.2	0	0	0	0	111.9	L615 L618 L619 A628 V629 L630 L636	L615-C632 PolarHBondContact O-SG 3.47Å; L618-C632 HydrophobicContact CB-CB 3.83Å; L618-C632 HydrophobicContact CD1-CB 4.1Å; L619-C632 HydrophobicContact CD2-CB 4.44Å; A628-C632 PolarHBondContact O-N 3.4Å; V629-C632 PolarHBondContact O-N 2.99Å; L630-C632 PolarHBondContact O-N 3.42Å; C632-L636 WeakPolarHBondContact O-CB 3.18Å; C632-L636 WeakPolarHBondContact O-CG 3.26Å; C632-L636 PolarHBondContact O-N 2.87Å
633	S	98.3	Very high	95.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.1	-40.5	177.1	70.4	0	0	0	0	113.2	V629 L630 C631 Q637	V629-S633 WeakPolarHBondContact O-CB 3.46Å; V629-S633 PolarHBondContact O-N 3.28Å; V629-S633 PolarHBondContact O-OG 2.8Å; L630-S633 PolarHBondContact O-N 3.3Å; L630-S633 PolarHBondContact O-OG 2.67Å; C631-S633 VanDerWaalsContact C-N 3.32Å; C631-S633 PolarHBondContact O-N 3.26Å; S633-Q637 WeakPolarHBondContact O-CB 2.81Å; S633-Q637 WeakPolarHBondContact O-CG 3.48Å; S633-Q637 PolarHBondContact O-N 3.08Å
634	L	96.8	Very high	96.5	Very high	15 Å²	15	23.2 Å²	23.2	8%	0.079	11%	0.112	C	C	.	.	H	α-helix	trans	-71	-41.9	178.9	-65.6	176	0	0	0	111.9	R457 R461 L630 C631 Q637 S638	R457-L634 HydrophobicContact CB-CD1 4.02Å; R461-L634 VanDerWaalsContact CD-CD2 3.46Å; R461-L634 HydrophobicContact CG-CD2 4.21Å; L630-L634 HydrophobicContact CD1-CD1 4.02Å; L630-L634 HydrophobicContact CD1-CG 4.1Å; L630-L634 HydrophobicContact CG-CD1 4.13Å; L630-L634 VanDerWaalsContact O-CG 3.31Å; L630-L634 WeakPolarHBondContact O-CG 3.15Å; L630-L634 PolarHBondContact O-N 2.99Å; C631-L634 PolarHBondContact O-N 3.39Å; L634-Q637 PolarHBondContact O-N 3.1Å; L634-S638 PolarHBondContact O-N 3.34Å; L634-S638 VanDerWaalsContact O-N 3.15Å; L634-S638 PolarHBondContact O-OG 2.95Å
635	E	98.1	Very high	96.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68.3	-34.9	175.9	-60.2	-29.2	123	0	0	112.1	R457 C590 L615 C631 Q637 S638 T639	R457-E635 IonicContact CZ-OE1 2.93Å; R457-E635 IonicContact NH1-OE1 2.69Å; R457-E635 PolarHBondContact NH1-OE1 3.44Å; R457-E635 IonicContact NH2-OE1 3.39Å; R457-E635 PolarHBondContact NH2-OE1 2.9Å; R457-E635 IonicContact NH2-OE2 2.66Å; C590-E635 HydrophobicContact CB-CB 4.38Å; C590-E635 HydrophobicContact CB-CG 4.18Å; C590-E635 WeakPolarHBondContact CB-OE2 3.16Å; L615-E635 HydrophobicContact CD2-CB 3.84Å; L615-E635 HydrophobicContact CD2-CG 4.49Å; C631-E635 WeakPolarHBondContact O-CG 3.21Å; C631-E635 PolarHBondContact O-N 3.19Å; E635-Q637 VanDerWaalsContact C-N 3.35Å; E635-S638 PolarHBondContact O-N 3.32Å; E635-S638 PolarHBondContact O-OG 3.36Å; E635-T639 WeakPolarHBondContact O-CA 3.44Å; E635-T639 WeakPolarHBondContact O-CB 3.41Å; E635-T639 PolarHBondContact O-N 3.49Å; E635-T639 PolarHBondContact O-OG1 3.24Å
636	L	98.2	Very high	97.1	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-69.1	-33.9	173.6	-77.2	172.5	0	0	0	112.1	L615 C632 G640 M651 L654 V658 V678 W686	L615-L636 HydrophobicContact CD1-CD2 3.96Å; L615-L636 HydrophobicContact CD1-CG 4.37Å; C632-L636 WeakPolarHBondContact O-CB 3.18Å; C632-L636 WeakPolarHBondContact O-CG 3.26Å; C632-L636 PolarHBondContact O-N 2.87Å; L636-G640 WeakPolarHBondContact O-CA 2.88Å; L636-G640 PolarHBondContact O-N 2.81Å; L636-M651 HydrophobicContact CD2-CE 4.03Å; L636-M651 HydrophobicContact CD2-SD 4.3Å; L636-L654 HydrophobicContact CD1-CD2 4.21Å; L636-L654 HydrophobicContact CD2-CD2 3.86Å; L636-V658 HydrophobicContact CD1-CG2 4.39Å; L636-V678 HydrophobicContact CB-CG1 4.04Å; L636-V678 HydrophobicContact CB-CG2 4.41Å; L636-V678 HydrophobicContact CD1-CG1 3.82Å; L636-W686 HydrophobicContact CB-CZ3 4.32Å; L636-W686 HydrophobicContact CD2-CH2 4.25Å; L636-W686 VanDerWaalsContact O-CZ3 3.23Å; L636-W686 WeakPolarHBondContact O-CZ3 3.06Å
637	Q	96.3	Very high	97.1	Very high	58 Å²	58	25.8 Å²	25.8	27%	0.271	12%	0.124	S	C	.	.	H	α-helix	trans	-66.6	-33.7	174.7	-74.5	169.9	16.7	0	0	113.2	S633 L634 E635 E677 L681	S633-Q637 WeakPolarHBondContact O-CB 2.81Å; S633-Q637 WeakPolarHBondContact O-CG 3.48Å; S633-Q637 PolarHBondContact O-N 3.08Å; L634-Q637 PolarHBondContact O-N 3.1Å; E635-Q637 VanDerWaalsContact C-N 3.35Å; Q637-E677 PolarHBondContact NE2-OE2 3.11Å; Q637-L681 HydrophobicContact CB-CD2 4.18Å; Q637-L681 HydrophobicContact CG-CD2 3.72Å
638	S	94	Very high	97.1	Very high	64 Å²	64	28.1 Å²	28.1	45%	0.448	14%	0.14	S	C	.	.	H	α-helix	trans	-90.5	-36.8	178.4	55.8	0	0	0	0	114.2	L634 E635	L634-S638 PolarHBondContact O-N 3.34Å; L634-S638 VanDerWaalsContact O-N 3.15Å; L634-S638 PolarHBondContact O-OG 2.95Å; E635-S638 PolarHBondContact O-N 3.32Å; E635-S638 PolarHBondContact O-OG 3.36Å
639	T	96.9	Very high	97.1	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-117.7	-17.7	-164.5	-52.2	0	0	0	0	113.5	C590 F593 C594 E635 R641 L642 L643	C590-T639 HydrophobicContact CB-CG2 4.45Å; F593-T639 HydrophobicContact CD1-CG2 3.66Å; F593-T639 HydrophobicContact CE1-CG2 4.06Å; C594-T639 PolarHBondContact SG-OG1 2.75Å; E635-T639 WeakPolarHBondContact O-CA 3.44Å; E635-T639 WeakPolarHBondContact O-CB 3.41Å; E635-T639 PolarHBondContact O-N 3.49Å; E635-T639 PolarHBondContact O-OG1 3.24Å; T639-R641 PolarHBondContact O-N 2.65Å; T639-L642 PolarHBondContact O-N 3.24Å; T639-L643 HydrophobicContact CG2-CD1 3.92Å; T639-L643 HydrophobicContact CG2-CG 3.93Å; T639-L643 PolarHBondContact O-N 2.94Å; T639-L643 VanDerWaalsContact O-N 3.17Å
640	G	97.5	Very high	97.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-53	-46.1	-173.9	0	0	0	0	0	114.2	L636 L642 L643 E644 M651	L636-G640 WeakPolarHBondContact O-CA 2.88Å; L636-G640 PolarHBondContact O-N 2.81Å; G640-L642 PolarHBondContact O-N 3.03Å; G640-L643 PolarHBondContact O-N 3.07Å; G640-E644 PolarHBondContact O-N 3.33Å; G640-M651 VanDerWaalsContact O-CE 3.27Å; G640-M651 WeakPolarHBondContact O-CE 3.35Å
641	R	97.7	Very high	97.1	Very high	144 Å²	144	36.2 Å²	36.2	54%	0.543	18%	0.178	S	C	.	.	H	α-helix	trans	-55.3	-48.1	176.4	-170.6	-177.7	155.6	161.8	-0.8	112.9	T639 L643 E644 E645 W686	T639-R641 PolarHBondContact O-N 2.65Å; R641-L643 VanDerWaalsContact C-N 3.29Å; R641-L643 PolarHBondContact O-N 2.97Å; R641-E644 PolarHBondContact O-N 3.32Å; R641-E645 IonicContact CZ-OE1 2.71Å; R641-E645 IonicContact NE-OE1 3.54Å; R641-E645 PolarHBondContact NE-OE1 2.8Å; R641-E645 IonicContact NH2-OE1 2.66Å; R641-E645 PolarHBondContact NH2-OE1 3.36Å; R641-E645 WeakPolarHBondContact O-CB 3.41Å; R641-E645 WeakPolarHBondContact O-CG 3.42Å; R641-E645 PolarHBondContact O-N 2.95Å; R641-W686 HydrophobicContact CB-CB 3.62Å; R641-W686 HydrophobicContact CB-CD2 4.39Å; R641-W686 HydrophobicContact CB-CG 3.65Å; R641-W686 HydrophobicContact CG-CB 4.05Å; R641-W686 HydrophobicContact CG-CG 4.19Å
642	L	97	Very high	97.1	Very high	28 Å²	28	40.3 Å²	40.3	15%	0.147	20%	0.203	C	C	.	.	H	α-helix	trans	-69.5	-31.8	-174.5	-171.3	62.9	0	0	0	111.2	F593 P603 T639 G640 Q646	F593-L642 HydrophobicContact CD1-CD2 3.98Å; F593-L642 HydrophobicContact CD1-CG 4.46Å; F593-L642 HydrophobicContact CE1-CB 4Å; F593-L642 HydrophobicContact CE1-CD2 3.62Å; F593-L642 HydrophobicContact CE1-CG 3.62Å; F593-L642 HydrophobicContact CZ-CD2 4.03Å; F593-L642 HydrophobicContact CZ-CG 3.84Å; P603-L642 HydrophobicContact CG-CD1 3.99Å; P603-L642 HydrophobicContact CG-CD2 4.01Å; P603-L642 HydrophobicContact CG-CG 4.34Å; T639-L642 PolarHBondContact O-N 3.24Å; G640-L642 PolarHBondContact O-N 3.03Å; L642-Q646 WeakPolarHBondContact O-CG 3.16Å; L642-Q646 PolarHBondContact O-N 2.74Å; L642-Q646 PolarHBondContact O-NE2 3.13Å
643	L	97.8	Very high	97.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.9	-44.4	173.3	-67	166.6	0	0	0	112.2	F593 V608 I611 Y612 L615 T639 G640 R641 E645 Q646 L647 M651	F593-L643 HydrophobicContact CD1-CD2 4.21Å; F593-L643 HydrophobicContact CE1-CD2 3.64Å; F593-L643 HydrophobicContact CE1-CG 4.03Å; F593-L643 HydrophobicContact CZ-CD2 4.14Å; V608-L643 HydrophobicContact CG1-CD2 4.14Å; I611-L643 HydrophobicContact CB-CD2 4.09Å; I611-L643 HydrophobicContact CD1-CD2 4.36Å; I611-L643 HydrophobicContact CG2-CD1 3.67Å; I611-L643 HydrophobicContact CG2-CD2 3.79Å; I611-L643 HydrophobicContact CG2-CG 4.35Å; Y612-L643 HydrophobicContact CE1-CB 4.35Å; Y612-L643 HydrophobicContact CE2-CB 4.13Å; Y612-L643 HydrophobicContact CE2-CD2 4.29Å; Y612-L643 VanDerWaalsContact OH-C 3.24Å; Y612-L643 WeakPolarHBondContact OH-CB 3.46Å; Y612-L643 PolarHBondContact OH-O 3.21Å; Y612-L643 VanDerWaalsContact OH-O 3.12Å; L615-L643 HydrophobicContact CD1-CD1 3.79Å; T639-L643 HydrophobicContact CG2-CD1 3.92Å; T639-L643 HydrophobicContact CG2-CG 3.93Å; T639-L643 PolarHBondContact O-N 2.94Å; T639-L643 VanDerWaalsContact O-N 3.17Å; G640-L643 PolarHBondContact O-N 3.07Å; R641-L643 VanDerWaalsContact C-N 3.29Å; R641-L643 PolarHBondContact O-N 2.97Å; L643-E645 VanDerWaalsContact C-N 3.31Å; L643-E645 PolarHBondContact O-N 3.26Å; L643-Q646 PolarHBondContact O-N 3.33Å; L643-L647 PolarHBondContact O-N 3.43Å; L643-M651 HydrophobicContact CB-CE 3.93Å
644	E	98	Very high	97.1	Very high	51 Å²	51	45.1 Å²	45.1	24%	0.238	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-36.2	175.7	-168.4	174.3	-135.9	0	0	111.4	G640 R641 Q646 P648 M651 H682 W686	G640-E644 PolarHBondContact O-N 3.33Å; R641-E644 PolarHBondContact O-N 3.32Å; E644-Q646 PolarHBondContact O-N 3Å; E644-P648 HydrophobicContact CG-CB 4.03Å; E644-P648 WeakPolarHBondContact O-CD 3.42Å; E644-M651 HydrophobicContact CB-CB 4.09Å; E644-M651 HydrophobicContact CB-CE 4.36Å; E644-M651 HydrophobicContact CB-CG 4.02Å; E644-M651 HydrophobicContact CG-CB 4.02Å; E644-M651 HydrophobicContact CG-CG 4.05Å; E644-H682 IonicContact OE1-CD2 3.19Å; E644-H682 IonicContact OE1-CE1 2.75Å; E644-H682 IonicContact OE1-NE2 3.89Å; E644-H682 PolarHBondContact OE1-NE2 3.42Å; E644-H682 IonicContact OE2-CD2 3.21Å; E644-H682 IonicContact OE2-NE2 2.77Å; E644-W686 PolarHBondContact OE2-NE1 3.32Å
645	E	96.4	Very high	97.2	Very high	99 Å²	99	44.5 Å²	44.5	46%	0.463	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.1	171.3	-74.2	176.6	178.7	0	0	113.7	R641 L643	R641-E645 IonicContact CZ-OE1 2.71Å; R641-E645 IonicContact NE-OE1 3.54Å; R641-E645 PolarHBondContact NE-OE1 2.8Å; R641-E645 IonicContact NH2-OE1 2.66Å; R641-E645 PolarHBondContact NH2-OE1 3.36Å; R641-E645 WeakPolarHBondContact O-CB 3.41Å; R641-E645 WeakPolarHBondContact O-CG 3.42Å; R641-E645 PolarHBondContact O-N 2.95Å; L643-E645 VanDerWaalsContact C-N 3.31Å; L643-E645 PolarHBondContact O-N 3.26Å
646	Q	95.9	Very high	97.2	Very high	21 Å²	21	46.4 Å²	46.4	10%	0.098	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-44.5	173.8	-60	-33.3	-79.1	0	0	113.9	F593 V608 L642 L643 E644	F593-Q646 HydrophobicContact CE2-CG 4.41Å; F593-Q646 HydrophobicContact CZ-CG 3.9Å; V608-Q646 HydrophobicContact CG1-CB 4.08Å; V608-Q646 HydrophobicContact CG2-CB 3.82Å; V608-Q646 HydrophobicContact CG2-CG 3.79Å; L642-Q646 WeakPolarHBondContact O-CG 3.16Å; L642-Q646 PolarHBondContact O-N 2.74Å; L642-Q646 PolarHBondContact O-NE2 3.13Å; L643-Q646 PolarHBondContact O-N 3.33Å; E644-Q646 PolarHBondContact O-N 3Å
647	L	95.3	Very high	97.2	Very high	51 Å²	51	47.7 Å²	47.7	27%	0.267	25%	0.249	S	C	.	.			trans	-147.2	88.5	-178.3	-68.1	179	0	0	0	110.3	V608 Y612 L643 E649 M650 M651	V608-L647 HydrophobicContact CG1-CB 4.32Å; V608-L647 HydrophobicContact CG1-CD1 3.8Å; V608-L647 HydrophobicContact CG1-CG 4.08Å; Y612-L647 HydrophobicContact CE2-CB 4.14Å; Y612-L647 PolarHBondContact OH-O 2.56Å; L643-L647 PolarHBondContact O-N 3.43Å; L647-E649 VanDerWaalsContact C-N 3.32Å; L647-E649 PolarHBondContact O-N 3.49Å; L647-M650 HydrophobicContact CB-CB 4.37Å; L647-M650 HydrophobicContact CB-CG 4.29Å; L647-M650 HydrophobicContact CD1-CG 4.33Å; L647-M650 HydrophobicContact CD1-SD 3.65Å; L647-M650 PolarHBondContact O-N 2.96Å; L647-M651 PolarHBondContact O-N 3.44Å
648	P	96.8	Very high	97.3	Very high	56 Å²	56	44.9 Å²	44.9	36%	0.364	24%	0.236	S	C	.	.	H	α-helix	trans	-71.5	-22.3	-176.3	28.4	-35.3	0	0	0	114.1	E644 M651 T652	E644-P648 HydrophobicContact CG-CB 4.03Å; E644-P648 WeakPolarHBondContact O-CD 3.42Å; P648-M651 PolarHBondContact O-N 2.88Å; P648-T652 PolarHBondContact O-N 3.16Å; P648-T652 PolarHBondContact O-OG1 2.99Å
649	E	96.6	Very high	97.5	Very high	125 Å²	125	46 Å²	46	58%	0.584	23%	0.231	S	C	*	.	H	α-helix	trans	-63.8	-46.8	175.6	-59.1	73.5	-161.6	0	0	110.3	L647 M651 T652 E653	L647-E649 VanDerWaalsContact C-N 3.32Å; L647-E649 PolarHBondContact O-N 3.49Å; E649-M651 VanDerWaalsContact C-N 3.32Å; E649-M651 PolarHBondContact O-N 3.33Å; E649-T652 WeakPolarHBondContact O-CB 3.36Å; E649-T652 PolarHBondContact O-N 2.93Å; E649-T652 VanDerWaalsContact O-N 3.11Å; E649-E653 PolarHBondContact O-N 3.41Å
650	M	96.8	Very high	97.6	Very high	46 Å²	46	51.3 Å²	51.3	23%	0.227	26%	0.259	C	S	.	.	H	α-helix	trans	-66.2	-33	177.2	-64.8	-165.3	82.3	0	0	112.4	Y612 L647 T652 L654	Y612-M650 HydrophobicContact CD1-CB 3.9Å; Y612-M650 HydrophobicContact CD2-CB 3.64Å; Y612-M650 HydrophobicContact CD2-CE 4.08Å; Y612-M650 HydrophobicContact CD2-CG 4.24Å; Y612-M650 HydrophobicContact CD2-SD 3.61Å; Y612-M650 HydrophobicContact CE1-CB 3.83Å; Y612-M650 HydrophobicContact CE2-CB 3.53Å; Y612-M650 HydrophobicContact CE2-CG 4.38Å; Y612-M650 HydrophobicContact CE2-SD 4.18Å; Y612-M650 HydrophobicContact CG-CB 3.82Å; Y612-M650 HydrophobicContact CG-CE 3.97Å; Y612-M650 HydrophobicContact CG-SD 4.11Å; L647-M650 HydrophobicContact CB-CB 4.37Å; L647-M650 HydrophobicContact CB-CG 4.29Å; L647-M650 HydrophobicContact CD1-CG 4.33Å; L647-M650 HydrophobicContact CD1-SD 3.65Å; L647-M650 PolarHBondContact O-N 2.96Å; M650-T652 VanDerWaalsContact C-N 3.35Å; M650-L654 WeakPolarHBondContact O-CB 3.46Å; M650-L654 PolarHBondContact O-N 2.76Å
651	M	98.4	Very high	97.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.4	-40.5	171.3	-172.8	54.4	69.9	0	0	111.5	Y612 L636 G640 L643 E644 L647 P648 E649 E653 L654 L655 W686	Y612-M651 HydrophobicContact CE1-CB 4.32Å; Y612-M651 HydrophobicContact CE1-CE 3.99Å; Y612-M651 WeakPolarHBondContact OH-CB 3.3Å; Y612-M651 PolarHBondContact OH-N 3.38Å; L636-M651 HydrophobicContact CD2-CE 4.03Å; L636-M651 HydrophobicContact CD2-SD 4.3Å; G640-M651 VanDerWaalsContact O-CE 3.27Å; G640-M651 WeakPolarHBondContact O-CE 3.35Å; L643-M651 HydrophobicContact CB-CE 3.93Å; E644-M651 HydrophobicContact CB-CB 4.09Å; E644-M651 HydrophobicContact CB-CE 4.36Å; E644-M651 HydrophobicContact CB-CG 4.02Å; E644-M651 HydrophobicContact CG-CB 4.02Å; E644-M651 HydrophobicContact CG-CG 4.05Å; L647-M651 PolarHBondContact O-N 3.44Å; P648-M651 PolarHBondContact O-N 2.88Å; E649-M651 VanDerWaalsContact C-N 3.32Å; E649-M651 PolarHBondContact O-N 3.33Å; M651-E653 VanDerWaalsContact C-N 3.35Å; M651-E653 PolarHBondContact O-N 3.17Å; M651-L654 PolarHBondContact O-N 3.25Å; M651-L655 HydrophobicContact CG-CD1 3.71Å; M651-L655 HydrophobicContact CG-CG 4.27Å; M651-L655 WeakPolarHBondContact O-CB 3.29Å; M651-L655 VanDerWaalsContact O-CG 3.3Å; M651-L655 WeakPolarHBondContact O-CG 3.47Å; M651-L655 PolarHBondContact O-N 3.02Å; M651-L655 HydrophobicContact SD-CD1 3.91Å; M651-L655 HydrophobicContact SD-CG 3.91Å; M651-W686 HydrophobicContact CE-CH2 4.15Å; M651-W686 HydrophobicContact CE-CZ2 3.8Å; M651-W686 HydrophobicContact CG-CZ2 4.07Å; M651-W686 HydrophobicContact SD-CH2 3.93Å; M651-W686 HydrophobicContact SD-CZ2 3.64Å
652	T	98.1	Very high	97.5	Very high	87 Å²	87	46.6 Å²	46.6	53%	0.534	24%	0.243	S	C	.	.	H	α-helix	trans	-61.7	-43.1	178.2	-57.9	0	0	0	0	111.4	P648 E649 M650 A656	P648-T652 PolarHBondContact O-N 3.16Å; P648-T652 PolarHBondContact O-OG1 2.99Å; E649-T652 WeakPolarHBondContact O-CB 3.36Å; E649-T652 PolarHBondContact O-N 2.93Å; E649-T652 VanDerWaalsContact O-N 3.11Å; M650-T652 VanDerWaalsContact C-N 3.35Å; T652-A656 PolarHBondContact O-N 3.49Å; T652-A656 VanDerWaalsContact O-N 3.13Å
653	E	98.1	Very high	97.5	Very high	100 Å²	100	51.2 Å²	51.2	47%	0.467	27%	0.267	S	S	.	.	H	α-helix	trans	-65.2	-47.4	172.4	-72	-173.4	-155.7	0	0	113.2	R616 E649 M651 L655 A656 A657	R616-E653 IonicContact CZ-OE2 3.83Å; R616-E653 IonicContact NH1-OE2 3.96Å; R616-E653 PolarHBondContact NH1-OE2 3.1Å; R616-E653 IonicContact NH2-OE2 2.72Å; R616-E653 PolarHBondContact NH2-OE2 2.96Å; E649-E653 PolarHBondContact O-N 3.41Å; M651-E653 VanDerWaalsContact C-N 3.35Å; M651-E653 PolarHBondContact O-N 3.17Å; E653-L655 VanDerWaalsContact C-N 3.25Å; E653-L655 PolarHBondContact O-N 3.1Å; E653-A656 WeakPolarHBondContact O-CA 3.36Å; E653-A656 VanDerWaalsContact O-CB 3.29Å; E653-A656 WeakPolarHBondContact O-CB 3.45Å; E653-A656 PolarHBondContact O-N 3.38Å; E653-A657 PolarHBondContact O-N 3.48Å
654	L	98.6	Very high	97.4	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-39.7	-179.1	-177.6	63	0	0	0	110.8	Y612 L615 R616 L619 L636 M650 M651 A656 A657 V658	Y612-L654 HydrophobicContact CD1-CB 4.39Å; Y612-L654 HydrophobicContact CD1-CD2 3.93Å; Y612-L654 HydrophobicContact CE1-CD2 4.15Å; L615-L654 HydrophobicContact CB-CD1 4.14Å; L615-L654 HydrophobicContact CB-CD2 3.82Å; L615-L654 HydrophobicContact CD1-CD2 3.86Å; L615-L654 HydrophobicContact CG-CD2 4.49Å; R616-L654 HydrophobicContact CB-CD1 4.39Å; L619-L654 HydrophobicContact CD1-CD1 3.63Å; L636-L654 HydrophobicContact CD1-CD2 4.21Å; L636-L654 HydrophobicContact CD2-CD2 3.86Å; M650-L654 WeakPolarHBondContact O-CB 3.46Å; M650-L654 PolarHBondContact O-N 2.76Å; M651-L654 PolarHBondContact O-N 3.25Å; L654-A656 VanDerWaalsContact C-N 3.3Å; L654-A656 PolarHBondContact O-N 2.82Å; L654-A657 PolarHBondContact O-N 3Å; L654-V658 WeakPolarHBondContact O-CG2 3.22Å; L654-V658 PolarHBondContact O-N 2.82Å
655	L	98.6	Very high	97.1	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-72.7	-19.4	175	-68.5	169	0	0	0	113.6	M651 E653 R659 V678 H682	M651-L655 HydrophobicContact CG-CD1 3.71Å; M651-L655 HydrophobicContact CG-CG 4.27Å; M651-L655 WeakPolarHBondContact O-CB 3.29Å; M651-L655 VanDerWaalsContact O-CG 3.3Å; M651-L655 WeakPolarHBondContact O-CG 3.47Å; M651-L655 PolarHBondContact O-N 3.02Å; M651-L655 HydrophobicContact SD-CD1 3.91Å; M651-L655 HydrophobicContact SD-CG 3.91Å; E653-L655 VanDerWaalsContact C-N 3.25Å; E653-L655 PolarHBondContact O-N 3.1Å; L655-R659 WeakPolarHBondContact O-CD 3.48Å; L655-R659 WeakPolarHBondContact O-CG 3.32Å; L655-R659 PolarHBondContact O-N 2.91Å; L655-R659 PolarHBondContact O-NH1 2.99Å; L655-V678 HydrophobicContact CD2-CG1 4.21Å; L655-H682 HydrophobicContact CD1-CB 3.99Å; L655-H682 VanDerWaalsContact CD1-CD2 3.44Å; L655-H682 WeakPolarHBondContact CD1-CD2 3.27Å; L655-H682 WeakPolarHBondContact CD1-ND1 3.3Å; L655-H682 HydrophobicContact CD2-CB 4.35Å
656	A	98.4	Very high	96.9	Very high	41 Å²	41	56.8 Å²	56.8	34%	0.339	32%	0.315	S	S	.	.	H	α-helix	trans	-68.8	-50.5	165.4	0	0	0	0	0	109.9	T652 E653 L654 V658 R659 D660	T652-A656 PolarHBondContact O-N 3.49Å; T652-A656 VanDerWaalsContact O-N 3.13Å; E653-A656 WeakPolarHBondContact O-CA 3.36Å; E653-A656 VanDerWaalsContact O-CB 3.29Å; E653-A656 WeakPolarHBondContact O-CB 3.45Å; E653-A656 PolarHBondContact O-N 3.38Å; L654-A656 VanDerWaalsContact C-N 3.3Å; L654-A656 PolarHBondContact O-N 2.82Å; A656-V658 VanDerWaalsContact C-N 3.31Å; A656-V658 PolarHBondContact O-N 3.45Å; A656-R659 WeakPolarHBondContact O-CB 3.35Å; A656-R659 PolarHBondContact O-N 3.31Å; A656-D660 PolarHBondContact O-N 2.95Å
657	A	98.4	Very high	96.8	Very high	27 Å²	27	56.7 Å²	56.7	22%	0.223	31%	0.314	C	S	.	.	H	α-helix	trans	-58.8	-37.7	176.3	0	0	0	0	0	113.3	L619 E653 L654 D660 K661	L619-A657 HydrophobicContact CD1-CB 4.19Å; E653-A657 PolarHBondContact O-N 3.48Å; L654-A657 PolarHBondContact O-N 3Å; A657-D660 PolarHBondContact O-N 3.21Å; A657-K661 WeakPolarHBondContact O-CB 3.11Å; A657-K661 PolarHBondContact O-N 2.91Å
658	V	98.6	Very high	96.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.3	-45.6	172	165.4	0	0	0	0	111.7	L619 L636 L654 A656 M662 L675 I679	L619-V658 HydrophobicContact CD1-CG2 3.6Å; L619-V658 HydrophobicContact CD2-CG2 4.28Å; L636-V658 HydrophobicContact CD1-CG2 4.39Å; L654-V658 WeakPolarHBondContact O-CG2 3.22Å; L654-V658 PolarHBondContact O-N 2.82Å; A656-V658 VanDerWaalsContact C-N 3.31Å; A656-V658 PolarHBondContact O-N 3.45Å; V658-M662 VanDerWaalsContact O-CB 3.31Å; V658-M662 WeakPolarHBondContact O-CB 3.2Å; V658-M662 PolarHBondContact O-N 3.49Å; V658-L675 HydrophobicContact CG1-CB 4.04Å; V658-L675 HydrophobicContact CG1-CD2 4.12Å; V658-L675 HydrophobicContact CG1-CG 4.49Å; V658-L675 HydrophobicContact CG2-CD2 4.48Å; V658-I679 HydrophobicContact CG1-CD1 3.97Å; V658-I679 HydrophobicContact CG1-CG1 3.8Å
659	R	98.6	Very high	96.6	Very high	88 Å²	88	58.4 Å²	58.4	33%	0.332	32%	0.319	S	S	.	.	H	α-helix	trans	-67.8	-45.7	178.4	-69.8	167.7	-166.2	115.2	-0.7	111.2	L655 A656 K661 M662 L663 I679	L655-R659 WeakPolarHBondContact O-CD 3.48Å; L655-R659 WeakPolarHBondContact O-CG 3.32Å; L655-R659 PolarHBondContact O-N 2.91Å; L655-R659 PolarHBondContact O-NH1 2.99Å; A656-R659 WeakPolarHBondContact O-CB 3.35Å; A656-R659 PolarHBondContact O-N 3.31Å; R659-K661 PolarHBondContact O-N 3.34Å; R659-M662 PolarHBondContact O-N 2.95Å; R659-L663 WeakPolarHBondContact O-CB 3.32Å; R659-L663 VanDerWaalsContact O-CG 3.23Å; R659-L663 WeakPolarHBondContact O-CG 3.33Å; R659-L663 PolarHBondContact O-N 3.29Å; R659-I679 HydrophobicContact CG-CD1 3.68Å; R659-I679 HydrophobicContact CG-CG1 4.16Å
660	D	97.8	Very high	96.6	Very high	112 Å²	112	52.6 Å²	52.6	60%	0.599	29%	0.292	S	S	*	.	H	α-helix	trans	-64.1	-41	-179.4	-68.9	-24.4	0	0	0	111.6	A656 A657 C664	A656-D660 PolarHBondContact O-N 2.95Å; A657-D660 PolarHBondContact O-N 3.21Å; D660-C664 PolarHBondContact O-N 3.43Å; D660-C664 VanDerWaalsContact O-N 3.14Å
661	K	96.9	Very high	96.5	Very high	25 Å²	25	50.4 Å²	50.4	11%	0.109	28%	0.281	C	S	.	.	H	α-helix	trans	-61.5	-53.3	171	-172.5	165.4	-164.1	165.7	0	110.9	L619 V629 A657 R659 L663 C664 E667 L675	L619-K661 HydrophobicContact CB-CD 4.38Å; L619-K661 HydrophobicContact CD2-CD 4.2Å; L619-K661 VanDerWaalsContact O-CD 3.23Å; L619-K661 WeakPolarHBondContact O-CD 3.17Å; L619-K661 WeakPolarHBondContact O-CE 3.35Å; L619-K661 PolarHBondContact O-NZ 2.96Å; V629-K661 HydrophobicContact CG2-CD 4.03Å; A657-K661 WeakPolarHBondContact O-CB 3.11Å; A657-K661 PolarHBondContact O-N 2.91Å; R659-K661 PolarHBondContact O-N 3.34Å; K661-L663 VanDerWaalsContact C-N 3.25Å; K661-L663 PolarHBondContact O-N 3.25Å; K661-C664 WeakPolarHBondContact O-CB 3.47Å; K661-C664 PolarHBondContact O-N 2.88Å; K661-E667 WeakPolarHBondContact CE-OE2 3.47Å; K661-E667 HydrophobicContact CG-CG 4.2Å; K661-E667 WeakPolarHBondContact CG-OE2 3.45Å; K661-E667 WeakPolarHBondContact O-CG 3.43Å; K661-L675 HydrophobicContact CB-CD1 4.02Å; K661-L675 HydrophobicContact CD-CD1 4.26Å; K661-L675 HydrophobicContact CG-CD1 4.02Å
662	M	96.8	Very high	96.5	Very high	19 Å²	19	54 Å²	54	9%	0.094	30%	0.295	C	S	.	.	H	α-helix	trans	-55.3	-38.7	-179.6	-177.9	-174.3	70.6	0	0	113.4	V658 R659 C664 R672 L675 M676 I679	V658-M662 VanDerWaalsContact O-CB 3.31Å; V658-M662 WeakPolarHBondContact O-CB 3.2Å; V658-M662 PolarHBondContact O-N 3.49Å; R659-M662 PolarHBondContact O-N 2.95Å; M662-C664 VanDerWaalsContact C-N 3.34Å; M662-R672 HydrophobicContact CG-CB 4.22Å; M662-R672 HydrophobicContact CG-CG 4.11Å; M662-R672 WeakPolarHBondContact O-CD 3.35Å; M662-R672 WeakPolarHBondContact O-CG 3.37Å; M662-R672 PolarHBondContact O-NE 3.34Å; M662-R672 VanDerWaalsContact O-NE 3.07Å; M662-L675 HydrophobicContact CB-CB 4.08Å; M662-L675 HydrophobicContact CB-CD1 4.2Å; M662-L675 HydrophobicContact CG-CB 4.39Å; M662-M676 HydrophobicContact CE-CE 3.67Å; M662-M676 HydrophobicContact CE-SD 3.93Å; M662-M676 HydrophobicContact SD-CB 3.84Å; M662-M676 HydrophobicContact SD-CE 3.55Å; M662-M676 VanDerWaalsContact SD-CE 3.55Å; M662-M676 HydrophobicContact SD-CG 4.4Å; M662-M676 HydrophobicContact SD-SD 3.75Å; M662-I679 HydrophobicContact CE-CD1 3.52Å; M662-I679 HydrophobicContact SD-CD1 3.67Å
663	L	96.7	Very high	96.4	Very high	125 Å²	125	50.6 Å²	50.6	65%	0.654	28%	0.275	S	S	*	.	H	α-helix	trans	-77.5	-16.2	179.4	-69.1	171.4	0	0	0	113.5	R659 K661	R659-L663 WeakPolarHBondContact O-CB 3.32Å; R659-L663 VanDerWaalsContact O-CG 3.23Å; R659-L663 WeakPolarHBondContact O-CG 3.33Å; R659-L663 PolarHBondContact O-N 3.29Å; K661-L663 VanDerWaalsContact C-N 3.25Å; K661-L663 PolarHBondContact O-N 3.25Å
664	C	94.6	Very high	96.4	Very high	45 Å²	45	45.9 Å²	45.9	30%	0.304	25%	0.253	S	S	.	.	S	Bend	trans	-60.4	131.4	177.4	-174.6	0	0	0	0	110.8	D660 K661 M662 T666 E667 R672	D660-C664 PolarHBondContact O-N 3.43Å; D660-C664 VanDerWaalsContact O-N 3.14Å; K661-C664 WeakPolarHBondContact O-CB 3.47Å; K661-C664 PolarHBondContact O-N 2.88Å; M662-C664 VanDerWaalsContact C-N 3.34Å; C664-T666 PolarHBondContact O-N 3.36Å; C664-T666 PolarHBondContact SG-OG1 3.26Å; C664-E667 HydrophobicContact CB-CG 4.14Å; C664-E667 PolarHBondContact O-N 3.33Å; C664-R672 PolarHBondContact O-NH2 3.11Å
665	P	93	Very high	96.4	Very high	118 Å²	118	45.9 Å²	45.9	77%	0.766	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-26.3	-178.9	-27.8	36.3	0	0	0	114.9	E667 R672	P665-E667 PolarHBondContact O-N 3.37Å; P665-R672 VanDerWaalsContact C-NH2 3.27Å; P665-R672 PolarHBondContact O-NH2 3.39Å
666	T	92.1	Very high	96.4	Very high	104 Å²	104	49.3 Å²	49.3	64%	0.638	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	7.1	-173.5	60.7	0	0	0	0	114.9	K625 C664	K625-T666 PolarHBondContact NZ-O 3.39Å; C664-T666 PolarHBondContact O-N 3.36Å; C664-T666 PolarHBondContact SG-OG1 3.26Å
667	E	93.7	Very high	96.4	Very high	19 Å²	19	47.9 Å²	47.9	9%	0.089	26%	0.256	C	S	.	.			trans	-74.6	153.2	171.4	-56.7	-45.4	98.8	0	0	112.5	K625 K661 C664 P665 T671 R672	K625-E667 WeakPolarHBondContact CE-OE1 3.33Å; K625-E667 WeakPolarHBondContact CE-OE2 3.3Å; K625-E667 VanDerWaalsContact NZ-CD 3.31Å; K625-E667 IonicContact NZ-OE1 3.93Å; K625-E667 PolarHBondContact NZ-OE1 2.97Å; K625-E667 IonicContact NZ-OE2 2.65Å; K625-E667 PolarHBondContact NZ-OE2 3.27Å; K661-E667 WeakPolarHBondContact CE-OE2 3.47Å; K661-E667 HydrophobicContact CG-CG 4.2Å; K661-E667 WeakPolarHBondContact CG-OE2 3.45Å; K661-E667 WeakPolarHBondContact O-CG 3.43Å; C664-E667 HydrophobicContact CB-CG 4.14Å; C664-E667 PolarHBondContact O-N 3.33Å; P665-E667 PolarHBondContact O-N 3.37Å; E667-T671 HydrophobicContact CB-CG2 3.94Å; E667-T671 HydrophobicContact CG-CG2 3.94Å; E667-T671 VanDerWaalsContact OE2-CG2 3.23Å; E667-T671 WeakPolarHBondContact OE2-CG2 3.23Å; E667-R672 HydrophobicContact CB-CG 4.17Å; E667-R672 PolarHBondContact O-NH1 3.12Å; E667-R672 PolarHBondContact O-NH2 3.08Å
668	S	93.8	Very high	96.3	Very high	26 Å²	26	46.6 Å²	46.6	18%	0.182	25%	0.245	C	C	.	.			trans	-74	168.5	168.5	73	0	0	0	0	111.1	E626 L670 T671 R672	E626-S668 WeakPolarHBondContact OE1-CB 3.43Å; E626-S668 PolarHBondContact OE1-OG 3.22Å; S668-L670 VanDerWaalsContact C-N 3.28Å; S668-L670 PolarHBondContact OG-N 2.56Å; S668-T671 PolarHBondContact OG-N 3.2Å; S668-T671 VanDerWaalsContact OG-N 3.13Å; S668-T671 PolarHBondContact OG-OG1 2.95Å; S668-R672 PolarHBondContact O-N 2.72Å; S668-R672 PolarHBondContact O-NH1 2.86Å
669	Q	94.9	Very high	96.3	Very high	118 Å²	118	47.9 Å²	47.9	55%	0.551	25%	0.252	S	S	*	.	H	α-helix	trans	-65.1	-36.6	172	-65.6	-177.4	9.4	0	0	110.9	R672 S673 L704	Q669-R672 PolarHBondContact O-N 2.9Å; Q669-S673 PolarHBondContact O-N 3.05Å; Q669-S673 PolarHBondContact O-OG 3.09Å; Q669-L704 HydrophobicContact CB-CD1 4Å; Q669-L704 HydrophobicContact CB-CD2 3.83Å
670	L	95.3	Very high	96.3	Very high	2 Å²	2	47 Å²	47	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-49.6	177.2	175.3	61.8	0	0	0	111.5	V448 L450 S668 R672 S673 L674 I701 L704 T705	V448-L670 HydrophobicContact CG1-CD2 3.57Å; L450-L670 HydrophobicContact CD1-CD2 4.3Å; S668-L670 VanDerWaalsContact C-N 3.28Å; S668-L670 PolarHBondContact OG-N 2.56Å; L670-R672 VanDerWaalsContact C-N 3.28Å; L670-R672 PolarHBondContact O-N 3.45Å; L670-S673 PolarHBondContact O-N 3.37Å; L670-L674 HydrophobicContact CD1-CD1 3.74Å; L670-L674 HydrophobicContact CD1-CD2 4.49Å; L670-L674 HydrophobicContact CD1-CG 3.92Å; L670-L674 HydrophobicContact CD2-CD1 4.44Å; L670-L674 HydrophobicContact CG-CD1 3.74Å; L670-L674 HydrophobicContact CG-CG 4.36Å; L670-L674 WeakPolarHBondContact O-CG 3.13Å; L670-L674 PolarHBondContact O-N 3.23Å; L670-I701 HydrophobicContact CD1-CB 4.46Å; L670-I701 HydrophobicContact CD1-CG1 4.39Å; L670-I701 HydrophobicContact CD1-CG2 3.86Å; L670-L704 HydrophobicContact CB-CB 4.41Å; L670-T705 HydrophobicContact CD1-CG2 4.05Å; L670-T705 HydrophobicContact CD2-CG2 3.76Å
671	T	96.1	Very high	96.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-55.5	-44.3	176.3	-67.9	0	0	0	0	111.6	V629 E667 S668 L674 L675	V629-T671 HydrophobicContact CG1-CG2 3.93Å; V629-T671 HydrophobicContact CG2-CG2 4.03Å; E667-T671 HydrophobicContact CB-CG2 3.94Å; E667-T671 HydrophobicContact CG-CG2 3.94Å; E667-T671 VanDerWaalsContact OE2-CG2 3.23Å; E667-T671 WeakPolarHBondContact OE2-CG2 3.23Å; S668-T671 PolarHBondContact OG-N 3.2Å; S668-T671 VanDerWaalsContact OG-N 3.13Å; S668-T671 PolarHBondContact OG-OG1 2.95Å; T671-L674 PolarHBondContact O-N 3.02Å; T671-L675 HydrophobicContact CG2-CD1 3.78Å; T671-L675 HydrophobicContact CG2-CG 4.28Å; T671-L675 WeakPolarHBondContact O-CB 3.11Å; T671-L675 VanDerWaalsContact O-CG 3.32Å; T671-L675 WeakPolarHBondContact O-CG 3.36Å; T671-L675 PolarHBondContact O-N 3.49Å
672	R	97.1	Very high	96.4	Very high	75 Å²	75	43.5 Å²	43.5	28%	0.283	23%	0.232	S	C	.	.	H	α-helix	trans	-66.9	-39.8	179.5	-65.1	-169.1	-171.1	87.4	-1.9	112.8	M662 C664 P665 E667 S668 Q669 L670 M676	M662-R672 HydrophobicContact CG-CB 4.22Å; M662-R672 HydrophobicContact CG-CG 4.11Å; M662-R672 WeakPolarHBondContact O-CD 3.35Å; M662-R672 WeakPolarHBondContact O-CG 3.37Å; M662-R672 PolarHBondContact O-NE 3.34Å; M662-R672 VanDerWaalsContact O-NE 3.07Å; C664-R672 PolarHBondContact O-NH2 3.11Å; P665-R672 VanDerWaalsContact C-NH2 3.27Å; P665-R672 PolarHBondContact O-NH2 3.39Å; E667-R672 HydrophobicContact CB-CG 4.17Å; E667-R672 PolarHBondContact O-NH1 3.12Å; E667-R672 PolarHBondContact O-NH2 3.08Å; S668-R672 PolarHBondContact O-N 2.72Å; S668-R672 PolarHBondContact O-NH1 2.86Å; Q669-R672 PolarHBondContact O-N 2.9Å; L670-R672 VanDerWaalsContact C-N 3.28Å; L670-R672 PolarHBondContact O-N 3.45Å; R672-M676 VanDerWaalsContact O-CB 3.3Å; R672-M676 WeakPolarHBondContact O-CB 3.32Å; R672-M676 PolarHBondContact O-N 3.42Å
673	S	97.1	Very high	96.4	Very high	17 Å²	17	46.4 Å²	46.4	12%	0.119	26%	0.259	C	S	.	.	H	α-helix	trans	-63.6	-43.4	174.9	-65.2	0	0	0	0	112.6	Q669 L670 E677 Y697	Q669-S673 PolarHBondContact O-N 3.05Å; Q669-S673 PolarHBondContact O-OG 3.09Å; L670-S673 PolarHBondContact O-N 3.37Å; S673-E677 PolarHBondContact O-N 3.12Å; S673-Y697 WeakPolarHBondContact O-CD1 3.48Å; S673-Y697 WeakPolarHBondContact O-CE1 3.5Å
674	L	97.7	Very high	96.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.8	-41.4	178.9	-69.3	167.8	0	0	0	112.4	V629 L630 L670 T671 V678 I701	V629-L674 HydrophobicContact CG1-CB 4.16Å; V629-L674 HydrophobicContact CG1-CD1 4.08Å; L630-L674 HydrophobicContact CB-CD1 4.07Å; L630-L674 HydrophobicContact CD1-CD1 4.15Å; L630-L674 HydrophobicContact CD1-CD2 3.82Å; L670-L674 HydrophobicContact CD1-CD1 3.74Å; L670-L674 HydrophobicContact CD1-CD2 4.49Å; L670-L674 HydrophobicContact CD1-CG 3.92Å; L670-L674 HydrophobicContact CD2-CD1 4.44Å; L670-L674 HydrophobicContact CG-CD1 3.74Å; L670-L674 HydrophobicContact CG-CG 4.36Å; L670-L674 WeakPolarHBondContact O-CG 3.13Å; L670-L674 PolarHBondContact O-N 3.23Å; T671-L674 PolarHBondContact O-N 3.02Å; L674-V678 WeakPolarHBondContact O-CG2 3.32Å; L674-V678 PolarHBondContact O-N 3Å; L674-I701 HydrophobicContact CD2-CD1 3.74Å; L674-I701 HydrophobicContact CD2-CG1 4.2Å; L674-I701 HydrophobicContact CD2-CG2 4.38Å; L674-I701 HydrophobicContact CG-CD1 4.48Å
675	L	98.3	Very high	96.5	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-77.7	-32.9	-179	-65.1	-175.9	0	0	0	112.9	L619 V629 V658 K661 M662 T671 V678 I679	L619-L675 HydrophobicContact CD2-CD1 4.42Å; L619-L675 HydrophobicContact CD2-CD2 3.89Å; V629-L675 HydrophobicContact CG1-CD1 4.49Å; V629-L675 HydrophobicContact CG1-CD2 3.97Å; V629-L675 HydrophobicContact CG1-CG 4.01Å; V658-L675 HydrophobicContact CG1-CB 4.04Å; V658-L675 HydrophobicContact CG1-CD2 4.12Å; V658-L675 HydrophobicContact CG1-CG 4.49Å; V658-L675 HydrophobicContact CG2-CD2 4.48Å; K661-L675 HydrophobicContact CB-CD1 4.02Å; K661-L675 HydrophobicContact CD-CD1 4.26Å; K661-L675 HydrophobicContact CG-CD1 4.02Å; M662-L675 HydrophobicContact CB-CB 4.08Å; M662-L675 HydrophobicContact CB-CD1 4.2Å; M662-L675 HydrophobicContact CG-CB 4.39Å; T671-L675 HydrophobicContact CG2-CD1 3.78Å; T671-L675 HydrophobicContact CG2-CG 4.28Å; T671-L675 WeakPolarHBondContact O-CB 3.11Å; T671-L675 VanDerWaalsContact O-CG 3.32Å; T671-L675 WeakPolarHBondContact O-CG 3.36Å; T671-L675 PolarHBondContact O-N 3.49Å; L675-V678 PolarHBondContact O-N 3.37Å; L675-I679 WeakPolarHBondContact O-CG1 3.34Å; L675-I679 PolarHBondContact O-N 3.06Å; L675-I679 VanDerWaalsContact O-N 3.1Å
676	M	98.2	Very high	96.7	Very high	74 Å²	74	47.8 Å²	47.8	37%	0.365	24%	0.237	S	C	.	.	H	α-helix	trans	-66	-40.1	174.4	-167.3	71.1	81.4	0	0	111.7	M662 R672 V678 I679 E680 Y697	M662-M676 HydrophobicContact CE-CE 3.67Å; M662-M676 HydrophobicContact CE-SD 3.93Å; M662-M676 HydrophobicContact SD-CB 3.84Å; M662-M676 HydrophobicContact SD-CE 3.55Å; M662-M676 VanDerWaalsContact SD-CE 3.55Å; M662-M676 HydrophobicContact SD-CG 4.4Å; M662-M676 HydrophobicContact SD-SD 3.75Å; R672-M676 VanDerWaalsContact O-CB 3.3Å; R672-M676 WeakPolarHBondContact O-CB 3.32Å; R672-M676 PolarHBondContact O-N 3.42Å; M676-V678 VanDerWaalsContact C-N 3.28Å; M676-V678 PolarHBondContact O-N 2.72Å; M676-I679 PolarHBondContact O-N 3.03Å; M676-I679 VanDerWaalsContact O-N 3.08Å; M676-E680 PolarHBondContact O-N 3.43Å; M676-Y697 HydrophobicContact CB-CE1 4.23Å; M676-Y697 WeakPolarHBondContact CG-OH 3.49Å
677	E	97.8	Very high	96.8	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.047	23%	0.226	C	C	.	.	H	α-helix	trans	-58.6	-39.3	175.4	-172.2	177.8	-135.8	0	0	112.3	R461 Q637 S673 L681 L689 Y697	R461-E677 IonicContact CZ-OE1 2.7Å; R461-E677 IonicContact CZ-OE2 2.72Å; R461-E677 VanDerWaalsContact CZ-OE2 3.25Å; R461-E677 IonicContact NH1-OE1 3.12Å; R461-E677 IonicContact NH1-OE2 3.43Å; R461-E677 PolarHBondContact NH1-OE2 2.77Å; R461-E677 VanDerWaalsContact NH2-CD 3.28Å; R461-E677 IonicContact NH2-OE1 3.31Å; R461-E677 PolarHBondContact NH2-OE1 3.29Å; R461-E677 IonicContact NH2-OE2 3.7Å; R461-E677 PolarHBondContact NH2-OE2 2.74Å; Q637-E677 PolarHBondContact NE2-OE2 3.11Å; S673-E677 PolarHBondContact O-N 3.12Å; E677-L681 VanDerWaalsContact O-CB 3.27Å; E677-L681 WeakPolarHBondContact O-CB 3.15Å; E677-L681 PolarHBondContact O-N 3.23Å; E677-L689 HydrophobicContact CG-CD1 4.27Å; E677-Y697 HydrophobicContact CB-CD1 3.71Å; E677-Y697 HydrophobicContact CB-CD2 4.14Å; E677-Y697 HydrophobicContact CB-CE1 3.87Å; E677-Y697 HydrophobicContact CB-CE2 4.29Å; E677-Y697 HydrophobicContact CB-CG 3.87Å; E677-Y697 HydrophobicContact CG-CD1 4.2Å; E677-Y697 HydrophobicContact CG-CD2 3.94Å; E677-Y697 HydrophobicContact CG-CE2 4.44Å; E677-Y697 HydrophobicContact CG-CG 3.83Å; E677-Y697 WeakPolarHBondContact OE1-CB 3.35Å
678	V	98.3	Very high	96.8	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-67	-39.2	174.6	173.2	0	0	0	0	111.7	L636 L655 L674 L675 M676 L681 H682	L636-V678 HydrophobicContact CB-CG1 4.04Å; L636-V678 HydrophobicContact CB-CG2 4.41Å; L636-V678 HydrophobicContact CD1-CG1 3.82Å; L655-V678 HydrophobicContact CD2-CG1 4.21Å; L674-V678 WeakPolarHBondContact O-CG2 3.32Å; L674-V678 PolarHBondContact O-N 3Å; L675-V678 PolarHBondContact O-N 3.37Å; M676-V678 VanDerWaalsContact C-N 3.28Å; M676-V678 PolarHBondContact O-N 2.72Å; V678-L681 PolarHBondContact O-N 3.16Å; V678-H682 PolarHBondContact O-N 3.41Å
679	I	98.4	Very high	96.8	Very high	27 Å²	27	50 Å²	50	14%	0.138	26%	0.255	C	S	.	.	H	α-helix	trans	-65.8	-43.3	176.5	-68.2	161.1	0	0	0	111	V658 R659 M662 L675 M676 H682 A683	V658-I679 HydrophobicContact CG1-CD1 3.97Å; V658-I679 HydrophobicContact CG1-CG1 3.8Å; R659-I679 HydrophobicContact CG-CD1 3.68Å; R659-I679 HydrophobicContact CG-CG1 4.16Å; M662-I679 HydrophobicContact CE-CD1 3.52Å; M662-I679 HydrophobicContact SD-CD1 3.67Å; L675-I679 WeakPolarHBondContact O-CG1 3.34Å; L675-I679 PolarHBondContact O-N 3.06Å; L675-I679 VanDerWaalsContact O-N 3.1Å; M676-I679 PolarHBondContact O-N 3.03Å; M676-I679 VanDerWaalsContact O-N 3.08Å; I679-H682 PolarHBondContact O-N 2.7Å; I679-A683 PolarHBondContact O-N 3.04Å
680	E	97.8	Very high	96.8	Very high	69 Å²	69	50.4 Å²	50.4	32%	0.322	26%	0.256	S	S	.	.	H	α-helix	trans	-65.2	-42.3	174.8	-77.7	-174.4	-140.7	0	0	111.7	M676 H682 A683 H684 L689 T693 Y697	M676-E680 PolarHBondContact O-N 3.43Å; E680-H682 VanDerWaalsContact C-N 3.33Å; E680-H682 PolarHBondContact O-N 2.66Å; E680-A683 CarbonylContact O-C 3.58Å; E680-A683 WeakPolarHBondContact O-CB 3.39Å; E680-A683 PolarHBondContact O-N 2.92Å; E680-A683 VanDerWaalsContact O-N 3.16Å; E680-H684 PolarHBondContact O-N 3.24Å; E680-L689 HydrophobicContact CB-CD1 4.23Å; E680-L689 HydrophobicContact CB-CD2 4.18Å; E680-T693 WeakPolarHBondContact OE2-CG2 3.49Å; E680-Y697 PolarHBondContact OE1-OH 3.15Å
681	L	97.7	Very high	96.7	Very high	19 Å²	19	54.3 Å²	54.3	10%	0.099	29%	0.289	C	S	.	.	H	α-helix	trans	-61.7	-39.7	176.6	-178.5	61.3	0	0	0	111.9	Q637 E677 V678 H684 R685 W686 S687 L689	Q637-L681 HydrophobicContact CB-CD2 4.18Å; Q637-L681 HydrophobicContact CG-CD2 3.72Å; E677-L681 VanDerWaalsContact O-CB 3.27Å; E677-L681 WeakPolarHBondContact O-CB 3.15Å; E677-L681 PolarHBondContact O-N 3.23Å; V678-L681 PolarHBondContact O-N 3.16Å; L681-H684 CarbonylContact O-C 3.38Å; L681-H684 PolarHBondContact O-N 3.13Å; L681-R685 PolarHBondContact O-N 3.17Å; L681-W686 HydrophobicContact CD2-CE3 3.98Å; L681-W686 HydrophobicContact CD2-CZ3 4.44Å; L681-W686 HydrophobicContact CG-CE3 3.94Å; L681-W686 WeakPolarHBondContact O-CA 3.31Å; L681-W686 PolarHBondContact O-N 2.83Å; L681-S687 VanDerWaalsContact CD1-O 3.22Å; L681-S687 WeakPolarHBondContact CD1-O 3.47Å; L681-L689 HydrophobicContact CD1-CG 4.38Å
682	H	98.3	Very high	96.6	Very high	44 Å²	44	60.4 Å²	60.4	20%	0.204	32%	0.32	C	S	.	.	H	α-helix	trans	-63.8	-44.4	171.8	-179.4	-110.1	0	0	0	112.2	E644 L655 V678 I679 E680 H684 R685 W686	E644-H682 IonicContact OE1-CD2 3.19Å; E644-H682 IonicContact OE1-CE1 2.75Å; E644-H682 IonicContact OE1-NE2 3.89Å; E644-H682 PolarHBondContact OE1-NE2 3.42Å; E644-H682 IonicContact OE2-CD2 3.21Å; E644-H682 IonicContact OE2-NE2 2.77Å; L655-H682 HydrophobicContact CD1-CB 3.99Å; L655-H682 VanDerWaalsContact CD1-CD2 3.44Å; L655-H682 WeakPolarHBondContact CD1-CD2 3.27Å; L655-H682 WeakPolarHBondContact CD1-ND1 3.3Å; L655-H682 HydrophobicContact CD2-CB 4.35Å; V678-H682 PolarHBondContact O-N 3.41Å; I679-H682 PolarHBondContact O-N 2.7Å; E680-H682 VanDerWaalsContact C-N 3.33Å; E680-H682 PolarHBondContact O-N 2.66Å; H682-H684 PolarHBondContact O-N 3.31Å; H682-R685 WeakPolarHBondContact O-CA 3.12Å; H682-R685 PolarHBondContact O-N 2.9Å; H682-W686 HydrophobicContact CB-CH2 4.4Å; H682-W686 HydrophobicContact CB-CZ2 4.26Å; H682-W686 AromaticContact CD2-CE2 3.7Å; H682-W686 AromaticContact CD2-CZ2 3.55Å; H682-W686 AromaticContact CD2-NE1 3.69Å
683	A	97.6	Very high	96.5	Very high	80 Å²	80	58.5 Å²	58.5	66%	0.661	32%	0.317	S	S	*	.	H	α-helix	trans	-60.5	-31.1	175	0	0	0	0	0	112.2	I679 E680 R685	I679-A683 PolarHBondContact O-N 3.04Å; E680-A683 CarbonylContact O-C 3.58Å; E680-A683 WeakPolarHBondContact O-CB 3.39Å; E680-A683 PolarHBondContact O-N 2.92Å; E680-A683 VanDerWaalsContact O-N 3.16Å; A683-R685 PolarHBondContact O-N 3Å
684	H	97.1	Very high	96.3	Very high	79 Å²	79	59.9 Å²	59.9	37%	0.366	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	16.7	171.4	-131.8	65.7	0	0	0	113.8	E680 L681 H682 W686 S687 L689	E680-H684 PolarHBondContact O-N 3.24Å; L681-H684 CarbonylContact O-C 3.38Å; L681-H684 PolarHBondContact O-N 3.13Å; H682-H684 PolarHBondContact O-N 3.31Å; H684-W686 VanDerWaalsContact C-N 3.26Å; H684-W686 PolarHBondContact O-N 3.2Å; H684-S687 PolarHBondContact CD2-OG 3.11Å; H684-S687 WeakPolarHBondContact O-CB 3.4Å; H684-S687 PolarHBondContact O-N 2.94Å; H684-S687 PolarHBondContact O-OG 3.01Å; H684-L689 HydrophobicContact CB-CD2 3.79Å
685	R	96.8	Very high	96.1	Very high	211 Å²	211	66.4 Å²	66.4	80%	0.796	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	36.4	179.4	-58	-175.5	177.6	-82.7	2.2	114.2	L681 H682 A683 S687	L681-R685 PolarHBondContact O-N 3.17Å; H682-R685 WeakPolarHBondContact O-CA 3.12Å; H682-R685 PolarHBondContact O-N 2.9Å; A683-R685 PolarHBondContact O-N 3Å; R685-S687 PolarHBondContact O-N 2.86Å; R685-S687 VanDerWaalsContact O-N 3.14Å
686	W	97.3	Very high	96	Very high	27 Å²	27	73 Å²	73	10%	0.102	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	18.5	-174.2	-42.2	95.1	0	0	0	114.8	L636 R641 E644 M651 L681 H682 H684	L636-W686 HydrophobicContact CB-CZ3 4.32Å; L636-W686 HydrophobicContact CD2-CH2 4.25Å; L636-W686 VanDerWaalsContact O-CZ3 3.23Å; L636-W686 WeakPolarHBondContact O-CZ3 3.06Å; R641-W686 HydrophobicContact CB-CB 3.62Å; R641-W686 HydrophobicContact CB-CD2 4.39Å; R641-W686 HydrophobicContact CB-CG 3.65Å; R641-W686 HydrophobicContact CG-CB 4.05Å; R641-W686 HydrophobicContact CG-CG 4.19Å; E644-W686 PolarHBondContact OE2-NE1 3.32Å; M651-W686 HydrophobicContact CE-CH2 4.15Å; M651-W686 HydrophobicContact CE-CZ2 3.8Å; M651-W686 HydrophobicContact CG-CZ2 4.07Å; M651-W686 HydrophobicContact SD-CH2 3.93Å; M651-W686 HydrophobicContact SD-CZ2 3.64Å; L681-W686 HydrophobicContact CD2-CE3 3.98Å; L681-W686 HydrophobicContact CD2-CZ3 4.44Å; L681-W686 HydrophobicContact CG-CE3 3.94Å; L681-W686 WeakPolarHBondContact O-CA 3.31Å; L681-W686 PolarHBondContact O-N 2.83Å; H682-W686 HydrophobicContact CB-CH2 4.4Å; H682-W686 HydrophobicContact CB-CZ2 4.26Å; H682-W686 AromaticContact CD2-CE2 3.7Å; H682-W686 AromaticContact CD2-CZ2 3.55Å; H682-W686 AromaticContact CD2-NE1 3.69Å; H684-W686 VanDerWaalsContact C-N 3.26Å; H684-W686 PolarHBondContact O-N 3.2Å
687	S	94.6	Very high	95.8	Very high	56 Å²	56	69.8 Å²	69.8	39%	0.392	37%	0.365	S	S	.	.	S	Bend	trans	-81.7	148.7	165.4	67.5	0	0	0	0	109.8	L681 H684 R685 L689	L681-S687 VanDerWaalsContact CD1-O 3.22Å; L681-S687 WeakPolarHBondContact CD1-O 3.47Å; H684-S687 PolarHBondContact CD2-OG 3.11Å; H684-S687 WeakPolarHBondContact O-CB 3.4Å; H684-S687 PolarHBondContact O-N 2.94Å; H684-S687 PolarHBondContact O-OG 3.01Å; R685-S687 PolarHBondContact O-N 2.86Å; R685-S687 VanDerWaalsContact O-N 3.14Å; S687-L689 PolarHBondContact O-N 3.11Å
688	P	93.1	Very high	95.6	Very high	117 Å²	117	71.2 Å²	71.2	76%	0.76	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-54.4	131.1	-176.5	-27.1	35.4	0	0	0	112.4
689	L	94	Very high	95.4	Very high	23 Å²	23	78.8 Å²	78.8	12%	0.12	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-61.7	155.2	176.2	-65.2	176.9	0	0	0	111.1	E677 E680 L681 H684 S687 T693 T694	E677-L689 HydrophobicContact CG-CD1 4.27Å; E680-L689 HydrophobicContact CB-CD1 4.23Å; E680-L689 HydrophobicContact CB-CD2 4.18Å; L681-L689 HydrophobicContact CD1-CG 4.38Å; H684-L689 HydrophobicContact CB-CD2 3.79Å; S687-L689 PolarHBondContact O-N 3.11Å; L689-T693 HydrophobicContact CB-CG2 4.29Å; L689-T693 HydrophobicContact CD1-CG2 4.07Å; L689-T694 PolarHBondContact O-OG1 3.4Å
690	E	94.8	Very high	95.2	Very high	126 Å²	126	78.9 Å²	78.9	59%	0.589	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-53.5	148.6	175.8	-65.3	-172.3	-168.2	0	0	111.8	I692 T693 T694	E690-I692 PolarHBondContact O-N 2.86Å; E690-T693 PolarHBondContact O-N 2.99Å; E690-T693 VanDerWaalsContact O-N 3.11Å; E690-T694 WeakPolarHBondContact O-CB 3.41Å; E690-T694 PolarHBondContact O-N 3.17Å; E690-T694 PolarHBondContact O-OG1 3.29Å
691	A	92.4	Very high	95	Very high	84 Å²	84	75.6 Å²	75.6	69%	0.694	39%	0.388	S	S	*	.	H	α-helix	trans	-59	-33.6	-175.4	0	0	0	0	0	112.9	Q695	A691-Q695 WeakPolarHBondContact O-CB 3.38Å; A691-Q695 PolarHBondContact O-N 2.92Å
692	I	94.4	Very high	94.8	Very high	128 Å²	128	79.4 Å²	79.4	66%	0.656	41%	0.405	S	S	*	.	H	α-helix	trans	-69.1	-46.6	177.3	-59.8	174.9	0	0	0	110.4	E690 Q695 Y696	E690-I692 PolarHBondContact O-N 2.86Å; I692-Q695 PolarHBondContact O-N 2.75Å; I692-Y696 PolarHBondContact O-N 2.91Å
693	T	94.6	Very high	94.4	Very high	35 Å²	35	82.9 Å²	82.9	22%	0.215	42%	0.42	C	S	.	.	H	α-helix	trans	-61.5	-47.4	176.2	-53.6	0	0	0	0	111.4	E680 L689 E690 Q695 Y696 Y697	E680-T693 WeakPolarHBondContact OE2-CG2 3.49Å; L689-T693 HydrophobicContact CB-CG2 4.29Å; L689-T693 HydrophobicContact CD1-CG2 4.07Å; E690-T693 PolarHBondContact O-N 2.99Å; E690-T693 VanDerWaalsContact O-N 3.11Å; T693-Q695 VanDerWaalsContact C-N 3.32Å; T693-Q695 PolarHBondContact O-N 2.94Å; T693-Y696 WeakPolarHBondContact O-CB 3.36Å; T693-Y696 PolarHBondContact O-N 3.19Å; T693-Y696 VanDerWaalsContact O-N 3.15Å; T693-Y697 HydrophobicContact CG2-CD2 3.96Å; T693-Y697 HydrophobicContact CG2-CE2 3.81Å; T693-Y697 VanDerWaalsContact O-CD2 3.32Å; T693-Y697 WeakPolarHBondContact O-CD2 3.46Å; T693-Y697 PolarHBondContact O-N 3.35Å
694	T	92.7	Very high	94.1	Very high	47 Å²	47	80.3 Å²	80.3	29%	0.288	40%	0.395	S	S	.	.	H	α-helix	trans	-59.8	-41.6	175.4	-55.9	0	0	0	0	111.5	L689 E690 Y697 N698	L689-T694 PolarHBondContact O-OG1 3.4Å; E690-T694 WeakPolarHBondContact O-CB 3.41Å; E690-T694 PolarHBondContact O-N 3.17Å; E690-T694 PolarHBondContact O-OG1 3.29Å; T694-Y697 PolarHBondContact O-N 3.15Å; T694-N698 WeakPolarHBondContact O-CB 3.33Å; T694-N698 PolarHBondContact O-N 2.85Å
695	Q	93.9	Very high	93.6	Very high	137 Å²	137	78.2 Å²	78.2	64%	0.64	39%	0.388	S	S	*	.	H	α-helix	trans	-67.5	-37	175.5	-171.9	-179.4	54.5	0	0	112.3	A691 I692 T693 R699	A691-Q695 WeakPolarHBondContact O-CB 3.38Å; A691-Q695 PolarHBondContact O-N 2.92Å; I692-Q695 PolarHBondContact O-N 2.75Å; T693-Q695 VanDerWaalsContact C-N 3.32Å; T693-Q695 PolarHBondContact O-N 2.94Å; Q695-R699 WeakPolarHBondContact O-CB 3.21Å; Q695-R699 PolarHBondContact O-N 3.33Å
696	Y	95.6	Very high	92.7	Very high	138 Å²	138	73 Å²	73	54%	0.541	38%	0.38	S	S	.	.	H	α-helix	trans	-60.4	-50.1	173.7	167.3	-94	0	0	0	111.2	I692 T693 T700	I692-Y696 PolarHBondContact O-N 2.91Å; T693-Y696 WeakPolarHBondContact O-CB 3.36Å; T693-Y696 PolarHBondContact O-N 3.19Å; T693-Y696 VanDerWaalsContact O-N 3.15Å; Y696-T700 VanDerWaalsContact O-CB 3.25Å; Y696-T700 WeakPolarHBondContact O-CB 3.25Å; Y696-T700 PolarHBondContact O-N 3.26Å; Y696-T700 PolarHBondContact O-OG1 3.07Å
697	Y	95.7	Very high	90.7	Very high	8 Å²	8	76.9 Å²	76.9	3%	0.031	41%	0.406	C	S	.	.	H	α-helix	trans	-64.4	-51.1	179	-80	-67.4	0	0	0	111.9	S673 M676 E677 E680 T693 T694 R699 T700 I701	S673-Y697 WeakPolarHBondContact O-CD1 3.48Å; S673-Y697 WeakPolarHBondContact O-CE1 3.5Å; M676-Y697 HydrophobicContact CB-CE1 4.23Å; M676-Y697 WeakPolarHBondContact CG-OH 3.49Å; E677-Y697 HydrophobicContact CB-CD1 3.71Å; E677-Y697 HydrophobicContact CB-CD2 4.14Å; E677-Y697 HydrophobicContact CB-CE1 3.87Å; E677-Y697 HydrophobicContact CB-CE2 4.29Å; E677-Y697 HydrophobicContact CB-CG 3.87Å; E677-Y697 HydrophobicContact CG-CD1 4.2Å; E677-Y697 HydrophobicContact CG-CD2 3.94Å; E677-Y697 HydrophobicContact CG-CE2 4.44Å; E677-Y697 HydrophobicContact CG-CG 3.83Å; E677-Y697 WeakPolarHBondContact OE1-CB 3.35Å; E680-Y697 PolarHBondContact OE1-OH 3.15Å; T693-Y697 HydrophobicContact CG2-CD2 3.96Å; T693-Y697 HydrophobicContact CG2-CE2 3.81Å; T693-Y697 VanDerWaalsContact O-CD2 3.32Å; T693-Y697 WeakPolarHBondContact O-CD2 3.46Å; T693-Y697 PolarHBondContact O-N 3.35Å; T694-Y697 PolarHBondContact O-N 3.15Å; Y697-R699 VanDerWaalsContact C-N 3.34Å; Y697-R699 PolarHBondContact O-N 3.13Å; Y697-T700 PolarHBondContact O-N 2.68Å; Y697-T700 VanDerWaalsContact O-N 3.12Å; Y697-I701 WeakPolarHBondContact O-CB 3.42Å; Y697-I701 WeakPolarHBondContact O-CD1 3.3Å; Y697-I701 WeakPolarHBondContact O-CG1 3.11Å; Y697-I701 PolarHBondContact O-N 2.7Å
698	N	93.8	Very high	88.3	Confident	39 Å²	39	78 Å²	78	21%	0.209	42%	0.419	C	S	.	.	H	α-helix	trans	-56.6	-45.7	177.6	-76.7	-16.5	0	0	0	111.9	R461 L462 T694 T700 Q702	R461-N698 PolarHBondContact NE-OD1 3.19Å; R461-N698 PolarHBondContact NH2-OD1 3.05Å; L462-N698 HydrophobicContact CD2-CB 3.67Å; L462-N698 WeakPolarHBondContact CD2-O 3.49Å; T694-N698 WeakPolarHBondContact O-CB 3.33Å; T694-N698 PolarHBondContact O-N 2.85Å; N698-T700 VanDerWaalsContact C-N 3.35Å; N698-T700 PolarHBondContact O-N 2.91Å; N698-Q702 WeakPolarHBondContact O-CB 3.4Å; N698-Q702 PolarHBondContact O-N 3.06Å
699	R	93.8	Very high	88	Confident	161 Å²	161	76.1 Å²	76.1	61%	0.608	40%	0.402	S	S	*	.	H	α-helix	trans	-67.4	-33	178.4	-170.3	178	-172.3	-170.3	3.3	112.9	Q695 Y697 K703	Q695-R699 WeakPolarHBondContact O-CB 3.21Å; Q695-R699 PolarHBondContact O-N 3.33Å; Y697-R699 VanDerWaalsContact C-N 3.34Å; Y697-R699 PolarHBondContact O-N 3.13Å; R699-K703 VanDerWaalsContact O-CG 3.3Å; R699-K703 WeakPolarHBondContact O-CG 3.49Å; R699-K703 PolarHBondContact O-N 2.97Å
700	T	93.9	Very high	87.7	Confident	29 Å²	29	78.8 Å²	78.8	18%	0.178	42%	0.417	C	S	.	.	H	α-helix	trans	-74.8	-49.2	179.6	-60	0	0	0	0	110.7	Y696 Y697 N698 Q702 K703 L704	Y696-T700 VanDerWaalsContact O-CB 3.25Å; Y696-T700 WeakPolarHBondContact O-CB 3.25Å; Y696-T700 PolarHBondContact O-N 3.26Å; Y696-T700 PolarHBondContact O-OG1 3.07Å; Y697-T700 PolarHBondContact O-N 2.68Å; Y697-T700 VanDerWaalsContact O-N 3.12Å; N698-T700 VanDerWaalsContact C-N 3.35Å; N698-T700 PolarHBondContact O-N 2.91Å; T700-Q702 VanDerWaalsContact C-N 3.32Å; T700-Q702 PolarHBondContact O-N 3.15Å; T700-K703 PolarHBondContact O-N 2.84Å; T700-L704 HydrophobicContact CG2-CD1 3.94Å; T700-L704 VanDerWaalsContact O-CG 3.31Å; T700-L704 WeakPolarHBondContact O-CG 3.12Å; T700-L704 PolarHBondContact O-N 3.15Å
701	I	94.1	Very high	87.3	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-61.4	-40.5	175.7	-65.7	160.5	0	0	0	110.7	L458 L670 L674 Y697 L704 T705	L458-I701 HydrophobicContact CD1-CG2 3.68Å; L458-I701 HydrophobicContact CD2-CG2 3.99Å; L458-I701 HydrophobicContact CG-CG2 4.42Å; L670-I701 HydrophobicContact CD1-CB 4.46Å; L670-I701 HydrophobicContact CD1-CG1 4.39Å; L670-I701 HydrophobicContact CD1-CG2 3.86Å; L674-I701 HydrophobicContact CD2-CD1 3.74Å; L674-I701 HydrophobicContact CD2-CG1 4.2Å; L674-I701 HydrophobicContact CD2-CG2 4.38Å; L674-I701 HydrophobicContact CG-CD1 4.48Å; Y697-I701 WeakPolarHBondContact O-CB 3.42Å; Y697-I701 WeakPolarHBondContact O-CD1 3.3Å; Y697-I701 WeakPolarHBondContact O-CG1 3.11Å; Y697-I701 PolarHBondContact O-N 2.7Å; I701-L704 PolarHBondContact O-N 3.03Å; I701-T705 PolarHBondContact O-N 2.97Å; I701-T705 VanDerWaalsContact O-N 3.12Å; I701-T705 PolarHBondContact O-OG1 3.12Å
702	Q	91.7	Very high	87	Confident	99 Å²	99	75.8 Å²	75.8	46%	0.463	39%	0.39	S	S	.	.	H	α-helix	trans	-60.6	-45.2	175.1	-173.4	-177.8	37.1	0	0	112.3	L462 N698 T700 T705 T706	L462-Q702 HydrophobicContact CD1-CB 3.94Å; L462-Q702 HydrophobicContact CD1-CG 4.31Å; N698-Q702 WeakPolarHBondContact O-CB 3.4Å; N698-Q702 PolarHBondContact O-N 3.06Å; T700-Q702 VanDerWaalsContact C-N 3.32Å; T700-Q702 PolarHBondContact O-N 3.15Å; Q702-T705 PolarHBondContact O-N 2.99Å; Q702-T705 PolarHBondContact O-OG1 3.34Å; Q702-T706 HydrophobicContact CG-CG2 4.28Å; Q702-T706 WeakPolarHBondContact O-CB 3.22Å; Q702-T706 WeakPolarHBondContact O-CG2 3.33Å; Q702-T706 PolarHBondContact O-N 2.99Å; Q702-T706 PolarHBondContact O-OG1 3.44Å
703	K	91.3	Very high	86.5	Confident	117 Å²	117	72.5 Å²	72.5	51%	0.509	37%	0.373	S	S	.	.	H	α-helix	trans	-58.8	-53.4	175.1	-75	168.7	176.8	-177.2	0	110.7	R699 T700 T705 T706 T707	R699-K703 VanDerWaalsContact O-CG 3.3Å; R699-K703 WeakPolarHBondContact O-CG 3.49Å; R699-K703 PolarHBondContact O-N 2.97Å; T700-K703 PolarHBondContact O-N 2.84Å; K703-T705 PolarHBondContact O-N 2.98Å; K703-T706 PolarHBondContact O-N 3.22Å; K703-T706 PolarHBondContact O-OG1 3.09Å; K703-T707 PolarHBondContact O-N 3.46Å; K703-T707 VanDerWaalsContact O-N 3.11Å; K703-T707 PolarHBondContact O-OG1 3.33Å
704	L	90.9	Very high	86	Confident	26 Å²	26	75 Å²	75	14%	0.136	38%	0.384	C	S	.	.	H	α-helix	trans	-62.8	-11.5	-176.5	-66.4	171.1	0	0	0	114.3	Q669 L670 T700 I701	Q669-L704 HydrophobicContact CB-CD1 4Å; Q669-L704 HydrophobicContact CB-CD2 3.83Å; L670-L704 HydrophobicContact CB-CB 4.41Å; T700-L704 HydrophobicContact CG2-CD1 3.94Å; T700-L704 VanDerWaalsContact O-CG 3.31Å; T700-L704 WeakPolarHBondContact O-CG 3.12Å; T700-L704 PolarHBondContact O-N 3.15Å; I701-L704 PolarHBondContact O-N 3.03Å
705	T	87.5	Confident	85.5	Confident	35 Å²	35	77 Å²	77	22%	0.215	39%	0.391	C	S	.	.	H	α-helix	trans	-118.9	0.9	177.2	54.3	0	0	0	0	114.3	V448 L450 L458 L670 I701 Q702 K703	V448-T705 HydrophobicContact CG1-CG2 4.21Å; L450-T705 HydrophobicContact CD1-CG2 3.91Å; L458-T705 HydrophobicContact CD2-CG2 3.7Å; L670-T705 HydrophobicContact CD1-CG2 4.05Å; L670-T705 HydrophobicContact CD2-CG2 3.76Å; I701-T705 PolarHBondContact O-N 2.97Å; I701-T705 VanDerWaalsContact O-N 3.12Å; I701-T705 PolarHBondContact O-OG1 3.12Å; Q702-T705 PolarHBondContact O-N 2.99Å; Q702-T705 PolarHBondContact O-OG1 3.34Å; K703-T705 PolarHBondContact O-N 2.98Å
706	T	76.4	Confident	84.9	Confident	102 Å²	102	72.4 Å²	72.4	63%	0.626	37%	0.372	S	S	*	.	H	α-helix	trans	-113.8	-11.4	173.5	53.7	0	0	0	0	113.8	Q702 K703	Q702-T706 HydrophobicContact CG-CG2 4.28Å; Q702-T706 WeakPolarHBondContact O-CB 3.22Å; Q702-T706 WeakPolarHBondContact O-CG2 3.33Å; Q702-T706 PolarHBondContact O-N 2.99Å; Q702-T706 PolarHBondContact O-OG1 3.44Å; K703-T706 PolarHBondContact O-N 3.22Å; K703-T706 PolarHBondContact O-OG1 3.09Å
707	T	54.9	Low	84	Confident	107 Å²	107	66.9 Å²	66.9	66%	0.656	36%	0.358	S	S	*	.			trans	-97.7	39.6	172.4	62.1	0	0	0	0	113.2	K703	K703-T707 PolarHBondContact O-N 3.46Å; K703-T707 VanDerWaalsContact O-N 3.11Å; K703-T707 PolarHBondContact O-OG1 3.33Å
708	A	43.9	Very low	82.9	Confident	80 Å²	80	72.3 Å²	72.3	66%	0.661	39%	0.387	S	S	*	.			trans	-118.5	0	-175.8	0	0	0	0	0	112.2

Retrieved 708 of 708 residues in 158.2 ms (Link to these results)

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