A0A5K4F161_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F161, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 764 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	63.9	Low	76.5	Confident	133 Å²	133	69.6 Å²	69.6	66%	0.655	35%	0.345	S	S	*	.				0	136.2	0	175.2	167.2	34.9	0	0	107.3	N5 L6 L9	M1-N5 HydrophobicContact CG-CB 3.69Å; M1-N5 HydrophobicContact SD-CB 4.27Å; M1-L6 HydrophobicContact CE-CB 3.95Å; M1-L6 HydrophobicContact CE-CD1 3.42Å; M1-L6 VanDerWaalsContact CE-CD1 3.42Å; M1-L6 HydrophobicContact CE-CG 4.22Å; M1-L6 HydrophobicContact CG-CB 4.12Å; M1-L6 HydrophobicContact SD-CB 3.98Å; M1-L6 HydrophobicContact SD-CD1 4.33Å; M1-L9 HydrophobicContact CE-CD2 4Å; M1-L9 HydrophobicContact SD-CD2 4.09Å
2	S	73.4	Confident	76.8	Confident	57 Å²	57	80.7 Å²	80.7	40%	0.399	38%	0.379	S	S	.	.			trans	-65.3	150	175.1	59.4	0	0	0	0	110.5	E4 N5 L6	S2-E4 PolarHBondContact O-N 3.47Å; S2-N5 PolarHBondContact O-N 3.45Å; S2-N5 WeakPolarHBondContact OG-CB 3.47Å; S2-N5 VanDerWaalsContact OG-CG 3.27Å; S2-N5 PolarHBondContact OG-N 3.18Å; S2-N5 PolarHBondContact OG-ND2 3.34Å; S2-L6 PolarHBondContact O-N 3.01Å
3	I	71.7	Confident	77	Confident	43 Å²	43	77.8 Å²	77.8	22%	0.221	36%	0.364	C	S	.	.	H	α-helix	trans	-53.1	-38.8	177.3	-65	-177.4	0	0	0	111.1	N5 L6 K7 L63 K67 E70	I3-N5 PolarHBondContact O-N 3.39Å; I3-L6 PolarHBondContact O-N 3.17Å; I3-K7 WeakPolarHBondContact O-CB 3.28Å; I3-K7 PolarHBondContact O-N 2.89Å; I3-L63 HydrophobicContact CG2-CD2 4.01Å; I3-K67 HydrophobicContact CD1-CB 4.48Å; I3-E70 HydrophobicContact CD1-CB 4.5Å; I3-E70 HydrophobicContact CD1-CG 4.17Å; I3-E70 WeakPolarHBondContact CD1-OE2 3.35Å
4	E	76	Confident	77.3	Confident	102 Å²	102	72.9 Å²	72.9	48%	0.477	34%	0.341	S	S	.	.	H	α-helix	trans	-65.7	-38.6	178.7	-168.8	57.9	-149.7	0	0	112.7	S2 K8	S2-E4 PolarHBondContact O-N 3.47Å; E4-K8 WeakPolarHBondContact O-CG 3.48Å; E4-K8 PolarHBondContact O-N 3.23Å; E4-K8 VanDerWaalsContact O-N 3.12Å
5	N	76.9	Confident	76.9	Confident	90 Å²	90	77.1 Å²	77.1	48%	0.481	36%	0.358	S	S	.	.	H	α-helix	trans	-71.7	-36.6	175.8	-75.5	-12.3	0	0	0	111.6	M1 S2 I3 K8 L9	M1-N5 HydrophobicContact CG-CB 3.69Å; M1-N5 HydrophobicContact SD-CB 4.27Å; S2-N5 PolarHBondContact O-N 3.45Å; S2-N5 WeakPolarHBondContact OG-CB 3.47Å; S2-N5 VanDerWaalsContact OG-CG 3.27Å; S2-N5 PolarHBondContact OG-N 3.18Å; S2-N5 PolarHBondContact OG-ND2 3.34Å; I3-N5 PolarHBondContact O-N 3.39Å; N5-K8 PolarHBondContact O-N 2.94Å; N5-L9 WeakPolarHBondContact O-CB 3.34Å; N5-L9 PolarHBondContact O-N 3.27Å
6	L	76.4	Confident	76.6	Confident	28 Å²	28	81.9 Å²	81.9	15%	0.147	38%	0.381	C	S	.	.	H	α-helix	trans	-66.6	-41.4	175.2	177.7	65.2	0	0	0	111.3	M1 S2 I3 K8 L9 L10 L66	M1-L6 HydrophobicContact CE-CB 3.95Å; M1-L6 HydrophobicContact CE-CD1 3.42Å; M1-L6 VanDerWaalsContact CE-CD1 3.42Å; M1-L6 HydrophobicContact CE-CG 4.22Å; M1-L6 HydrophobicContact CG-CB 4.12Å; M1-L6 HydrophobicContact SD-CB 3.98Å; M1-L6 HydrophobicContact SD-CD1 4.33Å; S2-L6 PolarHBondContact O-N 3.01Å; I3-L6 PolarHBondContact O-N 3.17Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 3.15Å; L6-L9 WeakPolarHBondContact O-CB 3.44Å; L6-L9 PolarHBondContact O-N 3.44Å; L6-L9 VanDerWaalsContact O-N 3.09Å; L6-L10 HydrophobicContact CD1-CD1 4.23Å; L6-L10 HydrophobicContact CD1-CG 4.22Å; L6-L10 HydrophobicContact CG-CD1 3.96Å; L6-L10 HydrophobicContact CG-CG 4.39Å; L6-L10 WeakPolarHBondContact O-CG 3.46Å; L6-L10 PolarHBondContact O-N 3.33Å; L6-L66 HydrophobicContact CD2-CD1 3.18Å
7	K	79.8	Confident	76.5	Confident	79 Å²	79	85.1 Å²	85.1	34%	0.343	40%	0.401	S	S	.	.	H	α-helix	trans	-58.1	-45.9	173.8	-179.3	177.8	179.1	-173.8	0	111.6	I3 L9 L10 Q11 L63	I3-K7 WeakPolarHBondContact O-CB 3.28Å; I3-K7 PolarHBondContact O-N 2.89Å; K7-L9 VanDerWaalsContact C-N 3.28Å; K7-L9 PolarHBondContact O-N 2.91Å; K7-L10 PolarHBondContact O-N 3.5Å; K7-Q11 WeakPolarHBondContact O-CB 3.49Å; K7-Q11 VanDerWaalsContact O-CG 3.29Å; K7-Q11 WeakPolarHBondContact O-CG 3.19Å; K7-Q11 PolarHBondContact O-N 3.43Å; K7-L63 HydrophobicContact CB-CD1 4.15Å; K7-L63 HydrophobicContact CB-CD2 4.12Å; K7-L63 HydrophobicContact CD-CD1 4.11Å; K7-L63 HydrophobicContact CG-CD1 3.9Å
8	K	80.5	Confident	76.6	Confident	115 Å²	115	83.8 Å²	83.8	50%	0.5	40%	0.403	S	S	.	.	H	α-helix	trans	-62.9	-34.4	174.4	-72.9	176	-176.8	175.1	0	112.7	E4 N5 L6 R12	E4-K8 WeakPolarHBondContact O-CG 3.48Å; E4-K8 PolarHBondContact O-N 3.23Å; E4-K8 VanDerWaalsContact O-N 3.12Å; N5-K8 PolarHBondContact O-N 2.94Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 3.15Å; K8-R12 PolarHBondContact O-N 2.95Å
9	L	81.4	Confident	76.8	Confident	20 Å²	20	81.1 Å²	81.1	11%	0.105	40%	0.399	C	S	.	.	H	α-helix	trans	-69.3	-48.4	176.4	-172.1	70	0	0	0	111.2	M1 N5 L6 K7 Q11 R12 Y13 I35	M1-L9 HydrophobicContact CE-CD2 4Å; M1-L9 HydrophobicContact SD-CD2 4.09Å; N5-L9 WeakPolarHBondContact O-CB 3.34Å; N5-L9 PolarHBondContact O-N 3.27Å; L6-L9 WeakPolarHBondContact O-CB 3.44Å; L6-L9 PolarHBondContact O-N 3.44Å; L6-L9 VanDerWaalsContact O-N 3.09Å; K7-L9 VanDerWaalsContact C-N 3.28Å; K7-L9 PolarHBondContact O-N 2.91Å; L9-Q11 VanDerWaalsContact C-N 3.33Å; L9-Q11 PolarHBondContact O-N 2.88Å; L9-R12 WeakPolarHBondContact O-CB 3.28Å; L9-R12 PolarHBondContact O-N 2.89Å; L9-R12 VanDerWaalsContact O-N 3.08Å; L9-Y13 HydrophobicContact CD1-CE2 4.18Å; L9-Y13 WeakPolarHBondContact O-CD2 3.24Å; L9-I35 HydrophobicContact CD2-CD1 3.95Å; L9-I35 HydrophobicContact CD2-CG1 4.39Å
10	L	80.6	Confident	77.2	Confident	2 Å²	2	79.2 Å²	79.2	1%	0.01	39%	0.39	C	S	.	.	H	α-helix	trans	-60.1	-43.8	177.9	-69.5	164.6	0	0	0	111.2	L6 K7 R12 Y13 D14 L21 L29 I59 I62 L63	L6-L10 HydrophobicContact CD1-CD1 4.23Å; L6-L10 HydrophobicContact CD1-CG 4.22Å; L6-L10 HydrophobicContact CG-CD1 3.96Å; L6-L10 HydrophobicContact CG-CG 4.39Å; L6-L10 WeakPolarHBondContact O-CG 3.46Å; L6-L10 PolarHBondContact O-N 3.33Å; K7-L10 PolarHBondContact O-N 3.5Å; L10-R12 PolarHBondContact O-N 3.01Å; L10-Y13 PolarHBondContact O-N 3.32Å; L10-Y13 VanDerWaalsContact O-N 3.07Å; L10-D14 PolarHBondContact O-N 3.31Å; L10-L21 HydrophobicContact CD2-CD1 3.69Å; L10-L29 HydrophobicContact CD2-CD1 3.74Å; L10-L29 HydrophobicContact CD2-CD2 4.1Å; L10-L29 HydrophobicContact CG-CD1 4.49Å; L10-I59 HydrophobicContact CB-CD1 4.22Å; L10-I59 HydrophobicContact CB-CG1 4.35Å; L10-I59 HydrophobicContact CB-CG2 4.01Å; L10-I59 HydrophobicContact CD1-CG2 4.02Å; L10-I62 HydrophobicContact CD1-CG2 4.34Å; L10-L63 HydrophobicContact CD1-CD2 4.37Å
11	Q	80.4	Confident	77.5	Confident	97 Å²	97	75.4 Å²	75.4	45%	0.453	37%	0.372	S	S	.	.	H	α-helix	trans	-63.1	-23	175.9	-74.2	179	-17.9	0	0	114.1	K7 L9 Y13	K7-Q11 WeakPolarHBondContact O-CB 3.49Å; K7-Q11 VanDerWaalsContact O-CG 3.29Å; K7-Q11 WeakPolarHBondContact O-CG 3.19Å; K7-Q11 PolarHBondContact O-N 3.43Å; L9-Q11 VanDerWaalsContact C-N 3.33Å; L9-Q11 PolarHBondContact O-N 2.88Å; Q11-Y13 VanDerWaalsContact C-N 3.31Å
12	R	80.9	Confident	78.6	Confident	202 Å²	202	71.1 Å²	71.1	76%	0.762	35%	0.352	S	S	*	.	H	α-helix	trans	-74	-22.4	174.8	-93.4	-179.3	169.6	167.9	-3.1	113.4	K8 L9 L10	K8-R12 PolarHBondContact O-N 2.95Å; L9-R12 WeakPolarHBondContact O-CB 3.28Å; L9-R12 PolarHBondContact O-N 2.89Å; L9-R12 VanDerWaalsContact O-N 3.08Å; L10-R12 PolarHBondContact O-N 3.01Å
13	Y	79.6	Confident	79.2	Confident	44 Å²	44	72.5 Å²	72.5	17%	0.173	35%	0.35	C	S	.	.	H	α-helix	trans	-100.8	-11.9	-178.3	-77.2	-97.9	0	0	0	113.3	L9 L10 Q11 F15 E25 K28 L29 N32	L9-Y13 HydrophobicContact CD1-CE2 4.18Å; L9-Y13 WeakPolarHBondContact O-CD2 3.24Å; L10-Y13 PolarHBondContact O-N 3.32Å; L10-Y13 VanDerWaalsContact O-N 3.07Å; Q11-Y13 VanDerWaalsContact C-N 3.31Å; Y13-F15 WeakPolarHBondContact O-CD2 3.3Å; Y13-F15 PolarHBondContact O-N 3.05Å; Y13-E25 WeakPolarHBondContact O-CG 3.2Å; Y13-K28 HydrophobicContact CD1-CB 4.21Å; Y13-K28 HydrophobicContact CE1-CB 4.05Å; Y13-L29 HydrophobicContact CD1-CB 3.94Å; Y13-L29 HydrophobicContact CD2-CB 4.34Å; Y13-L29 HydrophobicContact CD2-CD1 3.63Å; Y13-L29 HydrophobicContact CD2-CG 4.36Å; Y13-L29 HydrophobicContact CE1-CB 4.25Å; Y13-L29 HydrophobicContact CE2-CD1 4.24Å; Y13-L29 HydrophobicContact CG-CB 3.98Å; Y13-L29 HydrophobicContact CG-CD1 3.82Å; Y13-L29 HydrophobicContact CG-CG 4.43Å; Y13-N32 PolarHBondContact OH-ND2 2.97Å
14	D	80.7	Confident	79.8	Confident	8 Å²	8	74.7 Å²	74.7	4%	0.043	37%	0.366	C	S	.	.			trans	-79.3	86.1	166.4	176.3	9.6	0	0	0	109.2	L10 E16 N17 S18 G19 L21 I59	L10-D14 PolarHBondContact O-N 3.31Å; D14-E16 PolarHBondContact O-N 3.4Å; D14-E16 PolarHBondContact OD1-N 2.98Å; D14-N17 PolarHBondContact O-N 3.35Å; D14-N17 WeakPolarHBondContact OD1-CA 3.46Å; D14-N17 PolarHBondContact OD1-N 3.49Å; D14-N17 VanDerWaalsContact OD2-C 3.25Å; D14-N17 VanDerWaalsContact OD2-CA 3.24Å; D14-N17 WeakPolarHBondContact OD2-CA 3.41Å; D14-S18 VanDerWaalsContact CG-N 3.33Å; D14-S18 PolarHBondContact OD1-N 3.15Å; D14-S18 PolarHBondContact OD1-OG 3.47Å; D14-S18 PolarHBondContact OD2-N 2.89Å; D14-G19 PolarHBondContact OD2-N 3.48Å; D14-L21 HydrophobicContact CB-CD2 4.19Å; D14-I59 HydrophobicContact CB-CD1 4.07Å
15	F	71.5	Confident	80.2	Confident	137 Å²	137	70.4 Å²	70.4	60%	0.601	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.7	-176.7	-64.6	-71.7	0	0	0	112.5	Y13 E25	Y13-F15 WeakPolarHBondContact O-CD2 3.3Å; Y13-F15 PolarHBondContact O-N 3.05Å; F15-E25 HydrophobicContact CD2-CG 3.91Å; F15-E25 WeakPolarHBondContact CD2-OE1 3.45Å; F15-E25 HydrophobicContact CE2-CG 4.14Å; F15-E25 PolarHBondContact N-OE1 3.19Å
16	E	71.9	Confident	80.7	Confident	154 Å²	154	66.9 Å²	66.9	72%	0.72	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-6.7	-177.8	-60.5	-163.4	168.1	0	0	113.5	D14 S18	D14-E16 PolarHBondContact O-N 3.4Å; D14-E16 PolarHBondContact OD1-N 2.98Å; E16-S18 PolarHBondContact O-N 2.93Å
17	N	74.6	Confident	81.1	Confident	136 Å²	136	67.3 Å²	67.3	73%	0.727	33%	0.328	S	S	*	.			trans	49.5	37.9	-167.9	-87.9	-33.4	0	0	0	111.5	D14 G19	D14-N17 PolarHBondContact O-N 3.35Å; D14-N17 WeakPolarHBondContact OD1-CA 3.46Å; D14-N17 PolarHBondContact OD1-N 3.49Å; D14-N17 VanDerWaalsContact OD2-C 3.25Å; D14-N17 VanDerWaalsContact OD2-CA 3.24Å; D14-N17 WeakPolarHBondContact OD2-CA 3.41Å; N17-G19 VanDerWaalsContact C-N 3.34Å
18	S	78.4	Confident	81.3	Confident	62 Å²	62	69.4 Å²	69.4	43%	0.434	34%	0.337	S	S	.	.			trans	-75.7	-26.1	-178.3	66.3	0	0	0	0	112.1	D14 E16 D20	D14-S18 VanDerWaalsContact CG-N 3.33Å; D14-S18 PolarHBondContact OD1-N 3.15Å; D14-S18 PolarHBondContact OD1-OG 3.47Å; D14-S18 PolarHBondContact OD2-N 2.89Å; E16-S18 PolarHBondContact O-N 2.93Å; S18-D20 VanDerWaalsContact C-N 3.29Å; S18-D20 PolarHBondContact OG-N 3.47Å; S18-D20 PolarHBondContact OG-O 3.32Å
19	G	81.5	Confident	81.5	Confident	32 Å²	32	64.1 Å²	64.1	33%	0.33	31%	0.314	S	S	.	.	S	Bend	trans	88.6	-3.9	-166.7	0	0	0	0	0	113.5	D14 N17 I59	D14-G19 PolarHBondContact OD2-N 3.48Å; N17-G19 VanDerWaalsContact C-N 3.34Å; G19-I59 WeakPolarHBondContact O-CB 3.17Å; G19-I59 WeakPolarHBondContact O-CG1 3.29Å; G19-I59 PolarHBondContact O-N 2.91Å
20	D	84	Confident	81.5	Confident	42 Å²	42	63.2 Å²	63.2	23%	0.225	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	150.3	-174.7	-53.8	-33.9	0	0	0	109.8	S18 L56 I57 K58	S18-D20 VanDerWaalsContact C-N 3.29Å; S18-D20 PolarHBondContact OG-N 3.47Å; S18-D20 PolarHBondContact OG-O 3.32Å; D20-L56 HydrophobicContact CB-CB 4.3Å; D20-I57 CarbonylContact C-O 3.49Å; D20-I57 WeakPolarHBondContact CA-O 3.46Å; D20-K58 WeakPolarHBondContact OD1-CG 3.29Å
21	L	84	Confident	81.5	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124	176.9	-70.8	169.9	0	0	0	109.6	L10 D14 E25 W26 I57 I59	L10-L21 HydrophobicContact CD2-CD1 3.69Å; D14-L21 HydrophobicContact CB-CD2 4.19Å; L21-E25 HydrophobicContact CD2-CB 3.99Å; L21-W26 HydrophobicContact CD1-CE3 4.37Å; L21-I57 PolarHBondContact N-O 3.48Å; L21-I57 PolarHBondContact O-N 3.42Å; L21-I59 HydrophobicContact CD1-CD1 4.44Å; L21-I59 HydrophobicContact CD1-CG1 4.03Å; L21-I59 HydrophobicContact CG-CD1 4.14Å; L21-I59 HydrophobicContact CG-CG1 3.97Å
22	N	87	Confident	81.5	Confident	44 Å²	44	64 Å²	64	24%	0.235	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	168	171.9	71.9	49.2	0	0	0	111.6	T24 E25 W26 L56	N22-T24 PolarHBondContact O-N 2.97Å; N22-T24 VanDerWaalsContact O-N 3.16Å; N22-T24 WeakPolarHBondContact OD1-CA 3.43Å; N22-T24 PolarHBondContact OD1-N 3.29Å; N22-T24 PolarHBondContact OD1-OG1 3.38Å; N22-E25 PolarHBondContact N-OE2 2.89Å; N22-E25 VanDerWaalsContact ND2-CD 3.27Å; N22-E25 PolarHBondContact ND2-OE2 3.27Å; N22-E25 PolarHBondContact O-N 3.22Å; N22-E25 WeakPolarHBondContact OD1-CG 3.46Å; N22-E25 PolarHBondContact OD1-N 3.19Å; N22-W26 WeakPolarHBondContact O-CB 3.44Å; N22-W26 PolarHBondContact O-N 2.86Å; N22-L56 HydrophobicContact CB-CD2 3.77Å
23	K	84.3	Confident	81.1	Confident	85 Å²	85	59.5 Å²	59.5	37%	0.37	32%	0.322	S	S	.	.	H	α-helix	trans	-55.1	-34.7	-179.1	-168.1	168.4	-177.1	166.7	0	114.1	I27 F46	K23-I27 HydrophobicContact CG-CD1 4.18Å; K23-I27 WeakPolarHBondContact O-CD1 3.31Å; K23-I27 VanDerWaalsContact O-CG1 3.23Å; K23-I27 WeakPolarHBondContact O-CG1 3.43Å; K23-I27 PolarHBondContact O-N 2.87Å; K23-F46 VanDerWaalsContact CA-CE2 3.48Å; K23-F46 HydrophobicContact CB-CE1 4.03Å; K23-F46 HydrophobicContact CB-CE2 4.05Å; K23-F46 HydrophobicContact CB-CZ 3.78Å; K23-F46 HydrophobicContact CD-CD1 4.35Å; K23-F46 HydrophobicContact CD-CE1 4.32Å; K23-F46 HydrophobicContact CG-CD1 4.22Å; K23-F46 HydrophobicContact CG-CE1 4.19Å; K23-F46 HydrophobicContact CG-CG 4.41Å; K23-F46 HydrophobicContact CG-CZ 4.34Å
24	T	84.5	Confident	80.8	Confident	90 Å²	90	61.6 Å²	61.6	55%	0.552	34%	0.34	S	S	*	.	H	α-helix	trans	-76.9	-37.8	-179.6	66.5	0	0	0	0	112.8	N22 K28	N22-T24 PolarHBondContact O-N 2.97Å; N22-T24 VanDerWaalsContact O-N 3.16Å; N22-T24 WeakPolarHBondContact OD1-CA 3.43Å; N22-T24 PolarHBondContact OD1-N 3.29Å; N22-T24 PolarHBondContact OD1-OG1 3.38Å; T24-K28 WeakPolarHBondContact O-CG 3.24Å; T24-K28 PolarHBondContact O-N 3.19Å
25	E	85.7	Confident	80.6	Confident	11 Å²	11	63.4 Å²	63.4	5%	0.051	35%	0.349	C	S	.	.	H	α-helix	trans	-67.1	-42.4	175.5	-68.8	168.4	157.1	0	0	110.6	Y13 F15 L21 N22 K28 L29	Y13-E25 WeakPolarHBondContact O-CG 3.2Å; F15-E25 HydrophobicContact CD2-CG 3.91Å; F15-E25 WeakPolarHBondContact CD2-OE1 3.45Å; F15-E25 HydrophobicContact CE2-CG 4.14Å; F15-E25 PolarHBondContact N-OE1 3.19Å; L21-E25 HydrophobicContact CD2-CB 3.99Å; N22-E25 PolarHBondContact N-OE2 2.89Å; N22-E25 VanDerWaalsContact ND2-CD 3.27Å; N22-E25 PolarHBondContact ND2-OE2 3.27Å; N22-E25 PolarHBondContact O-N 3.22Å; N22-E25 WeakPolarHBondContact OD1-CG 3.46Å; N22-E25 PolarHBondContact OD1-N 3.19Å; E25-K28 PolarHBondContact O-N 2.87Å; E25-L29 WeakPolarHBondContact O-CB 3.44Å; E25-L29 PolarHBondContact O-N 2.89Å
26	W	86.4	Confident	80.9	Confident	16 Å²	16	63.2 Å²	63.2	6%	0.061	35%	0.354	C	S	.	.	H	α-helix	trans	-58.9	-49.6	175.3	177.7	-102.4	0	0	0	112.8	L21 N22 K28 L29 C30 S42 L45 F46 L49 I57 I62	L21-W26 HydrophobicContact CD1-CE3 4.37Å; N22-W26 WeakPolarHBondContact O-CB 3.44Å; N22-W26 PolarHBondContact O-N 2.86Å; W26-K28 VanDerWaalsContact C-N 3.3Å; W26-K28 PolarHBondContact O-N 3.34Å; W26-L29 HydrophobicContact CE3-CD2 4.29Å; W26-L29 HydrophobicContact CZ3-CD2 4.25Å; W26-L29 WeakPolarHBondContact O-CB 3.43Å; W26-L29 PolarHBondContact O-N 3.24Å; W26-L29 VanDerWaalsContact O-N 3.11Å; W26-C30 VanDerWaalsContact CE2-SG 3.54Å; W26-C30 PolarHBondContact O-N 2.95Å; W26-C30 PolarHBondContact O-SG 2.91Å; W26-S42 PolarHBondContact NE1-O 2.97Å; W26-L45 HydrophobicContact CH2-CD2 4.08Å; W26-L45 HydrophobicContact CZ2-CB 4.25Å; W26-L45 HydrophobicContact CZ2-CD2 3.64Å; W26-F46 HydrophobicContact CB-CD2 3.7Å; W26-F46 HydrophobicContact CB-CE2 4.03Å; W26-F46 AromaticContact CD1-CD2 3.54Å; W26-F46 HydrophobicContact CD2-CD2 4.27Å; W26-F46 HydrophobicContact CG-CB 4.48Å; W26-F46 AromaticContact CG-CD2 3.55Å; W26-F46 HydrophobicContact CG-CD2 3.55Å; W26-F46 HydrophobicContact CG-CE2 4.33Å; W26-F46 HydrophobicContact CG-CG 4.48Å; W26-L49 HydrophobicContact CH2-CD1 3.74Å; W26-L49 HydrophobicContact CZ2-CD1 4Å; W26-L49 HydrophobicContact CZ3-CD1 4.38Å; W26-I57 HydrophobicContact CD2-CD1 4.38Å; W26-I57 HydrophobicContact CE3-CD1 4.46Å; W26-I62 HydrophobicContact CZ3-CD1 3.93Å
27	I	84.7	Confident	81.4	Confident	38 Å²	38	58.5 Å²	58.5	20%	0.195	33%	0.334	C	S	.	.	H	α-helix	trans	-61.4	-40.5	179	-68.1	165.8	0	0	0	110.8	K23 L29 C30 S31 L43	K23-I27 HydrophobicContact CG-CD1 4.18Å; K23-I27 WeakPolarHBondContact O-CD1 3.31Å; K23-I27 VanDerWaalsContact O-CG1 3.23Å; K23-I27 WeakPolarHBondContact O-CG1 3.43Å; K23-I27 PolarHBondContact O-N 2.87Å; I27-L29 VanDerWaalsContact C-N 3.34Å; I27-C30 PolarHBondContact O-N 3.01Å; I27-S31 WeakPolarHBondContact O-CB 3.44Å; I27-S31 PolarHBondContact O-N 3.31Å; I27-S31 PolarHBondContact O-OG 3.43Å; I27-L43 HydrophobicContact CD1-CD1 3.7Å; I27-L43 HydrophobicContact CG1-CD1 4.32Å
28	K	84.2	Confident	81.7	Confident	123 Å²	123	55 Å²	55	54%	0.535	32%	0.32	S	S	.	.	H	α-helix	trans	-65	-36.5	175.6	-76.8	179.3	178.8	176.3	0	112.4	Y13 T24 E25 W26 N32	Y13-K28 HydrophobicContact CD1-CB 4.21Å; Y13-K28 HydrophobicContact CE1-CB 4.05Å; T24-K28 WeakPolarHBondContact O-CG 3.24Å; T24-K28 PolarHBondContact O-N 3.19Å; E25-K28 PolarHBondContact O-N 2.87Å; W26-K28 VanDerWaalsContact C-N 3.3Å; W26-K28 PolarHBondContact O-N 3.34Å; K28-N32 PolarHBondContact O-N 3.22Å
29	L	84.5	Confident	81.8	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-67.8	-45.8	175.4	178.9	128.1	0	0	0	111.4	L10 Y13 E25 W26 I27 S31 N32 I35	L10-L29 HydrophobicContact CD2-CD1 3.74Å; L10-L29 HydrophobicContact CD2-CD2 4.1Å; L10-L29 HydrophobicContact CG-CD1 4.49Å; Y13-L29 HydrophobicContact CD1-CB 3.94Å; Y13-L29 HydrophobicContact CD2-CB 4.34Å; Y13-L29 HydrophobicContact CD2-CD1 3.63Å; Y13-L29 HydrophobicContact CD2-CG 4.36Å; Y13-L29 HydrophobicContact CE1-CB 4.25Å; Y13-L29 HydrophobicContact CE2-CD1 4.24Å; Y13-L29 HydrophobicContact CG-CB 3.98Å; Y13-L29 HydrophobicContact CG-CD1 3.82Å; Y13-L29 HydrophobicContact CG-CG 4.43Å; E25-L29 WeakPolarHBondContact O-CB 3.44Å; E25-L29 PolarHBondContact O-N 2.89Å; W26-L29 HydrophobicContact CE3-CD2 4.29Å; W26-L29 HydrophobicContact CZ3-CD2 4.25Å; W26-L29 WeakPolarHBondContact O-CB 3.43Å; W26-L29 PolarHBondContact O-N 3.24Å; W26-L29 VanDerWaalsContact O-N 3.11Å; I27-L29 VanDerWaalsContact C-N 3.34Å; L29-S31 PolarHBondContact O-N 3.3Å; L29-N32 WeakPolarHBondContact O-CB 3.49Å; L29-N32 PolarHBondContact O-N 2.76Å; L29-I35 HydrophobicContact CD2-CD1 3.53Å; L29-I35 HydrophobicContact CG-CD1 3.87Å
30	C	82.3	Confident	81.8	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.007	35%	0.352	C	S	.	.	H	α-helix	trans	-62.9	-30.6	175.8	-70.8	0	0	0	0	113.2	W26 I27 N32 N36 I37	W26-C30 VanDerWaalsContact CE2-SG 3.54Å; W26-C30 PolarHBondContact O-N 2.95Å; W26-C30 PolarHBondContact O-SG 2.91Å; I27-C30 PolarHBondContact O-N 3.01Å; C30-N32 PolarHBondContact O-N 2.78Å; C30-N36 PolarHBondContact O-N 2.89Å; C30-I37 HydrophobicContact CB-CB 4.19Å; C30-I37 PolarHBondContact O-N 3.27Å
31	S	81.2	Confident	81.6	Confident	80 Å²	80	68.3 Å²	68.3	56%	0.559	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-6.8	175.6	-55.2	0	0	0	0	113.5	I27 L29	I27-S31 WeakPolarHBondContact O-CB 3.44Å; I27-S31 PolarHBondContact O-N 3.31Å; I27-S31 PolarHBondContact O-OG 3.43Å; L29-S31 PolarHBondContact O-N 3.3Å
32	N	78.7	Confident	81.5	Confident	36 Å²	36	68.3 Å²	68.3	19%	0.193	37%	0.366	C	S	.	.	S	Bend	trans	-68.1	137.9	176.1	-169.3	-33.3	0	0	0	110	Y13 K28 L29 C30 T34 I35 N36	Y13-N32 PolarHBondContact OH-ND2 2.97Å; K28-N32 PolarHBondContact O-N 3.22Å; L29-N32 WeakPolarHBondContact O-CB 3.49Å; L29-N32 PolarHBondContact O-N 2.76Å; C30-N32 PolarHBondContact O-N 2.78Å; N32-T34 PolarHBondContact O-N 2.84Å; N32-T34 PolarHBondContact OD1-N 2.98Å; N32-T34 PolarHBondContact OD1-OG1 2.92Å; N32-I35 PolarHBondContact O-N 3.49Å; N32-N36 PolarHBondContact O-N 3.31Å
33	S	74.4	Confident	81.3	Confident	106 Å²	106	69 Å²	69	74%	0.741	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-21.5	179.2	57.5	0	0	0	0	114.2
34	T	72.9	Confident	81.2	Confident	89 Å²	89	68.7 Å²	68.7	55%	0.546	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-26.9	175.2	56	0	0	0	0	114.4	N32	N32-T34 PolarHBondContact O-N 2.84Å; N32-T34 PolarHBondContact OD1-N 2.98Å; N32-T34 PolarHBondContact OD1-OG1 2.92Å
35	I	75.2	Confident	81.2	Confident	46 Å²	46	67.8 Å²	67.8	24%	0.236	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-45	-175.9	-66.2	174.3	0	0	0	110.3	L9 L29 N32 I37	L9-I35 HydrophobicContact CD2-CD1 3.95Å; L9-I35 HydrophobicContact CD2-CG1 4.39Å; L29-I35 HydrophobicContact CD2-CD1 3.53Å; L29-I35 HydrophobicContact CG-CD1 3.87Å; N32-I35 PolarHBondContact O-N 3.49Å; I35-I37 HydrophobicContact CG2-CB 4.41Å; I35-I37 HydrophobicContact CG2-CD1 3.31Å; I35-I37 HydrophobicContact CG2-CG1 3.6Å; I35-I37 PolarHBondContact O-N 2.96Å
36	N	78.1	Confident	81.2	Confident	132 Å²	132	67.5 Å²	67.5	71%	0.706	37%	0.365	S	S	*	.			trans	48.9	55.6	172.2	-163.6	33.5	0	0	0	114.5	C30 N32	C30-N36 PolarHBondContact O-N 2.89Å; N32-N36 PolarHBondContact O-N 3.31Å
37	I	82.5	Confident	80.9	Confident	55 Å²	55	71.1 Å²	71.1	28%	0.282	39%	0.385	S	S	.	.			trans	-98.8	137.9	176.1	-63.9	165.4	0	0	0	109	C30 I35 L41	C30-I37 HydrophobicContact CB-CB 4.19Å; C30-I37 PolarHBondContact O-N 3.27Å; I35-I37 HydrophobicContact CG2-CB 4.41Å; I35-I37 HydrophobicContact CG2-CD1 3.31Å; I35-I37 HydrophobicContact CG2-CG1 3.6Å; I35-I37 PolarHBondContact O-N 2.96Å; I37-L41 HydrophobicContact CG2-CB 3.62Å
38	S	82.4	Confident	80.7	Confident	63 Å²	63	76.5 Å²	76.5	44%	0.441	41%	0.409	S	S	.	.			trans	-62.2	153.5	177.7	82.7	0	0	0	0	111.8	E40 L41 S42	S38-E40 VanDerWaalsContact C-N 3.31Å; S38-E40 PolarHBondContact O-N 3.11Å; S38-L41 PolarHBondContact O-N 3.4Å; S38-L41 PolarHBondContact OG-N 2.79Å; S38-S42 WeakPolarHBondContact O-CB 3.36Å; S38-S42 PolarHBondContact O-N 3.03Å
39	K	80.5	Confident	80.5	Confident	152 Å²	152	73.9 Å²	73.9	66%	0.661	40%	0.401	S	S	*	.	H	α-helix	trans	-57.5	-41.8	-178.5	-170.1	179.4	176.9	-173.4	0	112.3	S42 L43	K39-S42 PolarHBondContact O-N 3.4Å; K39-S42 PolarHBondContact O-OG 3.45Å; K39-L43 PolarHBondContact O-N 2.83Å; K39-L43 VanDerWaalsContact O-N 3.14Å
40	E	80.4	Confident	80.5	Confident	164 Å²	164	74.3 Å²	74.3	77%	0.766	40%	0.403	S	S	*	.	H	α-helix	trans	-61.9	-50.7	176.1	-84.8	-177.3	143.1	0	0	112.5	S38 S42 L43 T44	S38-E40 VanDerWaalsContact C-N 3.31Å; S38-E40 PolarHBondContact O-N 3.11Å; E40-S42 VanDerWaalsContact C-N 3.28Å; E40-S42 PolarHBondContact O-N 2.94Å; E40-L43 PolarHBondContact O-N 2.88Å; E40-L43 VanDerWaalsContact O-N 3.13Å; E40-T44 PolarHBondContact O-N 2.95Å; E40-T44 VanDerWaalsContact O-N 3.08Å; E40-T44 PolarHBondContact O-OG1 2.85Å
41	L	80.3	Confident	80.2	Confident	99 Å²	99	84.2 Å²	84.2	52%	0.518	44%	0.44	S	S	.	.	H	α-helix	trans	-63.2	-35.5	178.2	-102.6	146.1	0	0	0	111.8	I37 S38 L43 T44 L45	I37-L41 HydrophobicContact CG2-CB 3.62Å; S38-L41 PolarHBondContact O-N 3.4Å; S38-L41 PolarHBondContact OG-N 2.79Å; L41-L43 VanDerWaalsContact C-N 3.28Å; L41-L43 PolarHBondContact O-N 2.78Å; L41-T44 WeakPolarHBondContact CA-OG1 3.33Å; L41-T44 PolarHBondContact O-OG1 3.02Å; L41-L45 WeakPolarHBondContact O-CB 3.24Å; L41-L45 PolarHBondContact O-N 3.11Å
42	S	81.9	Confident	80.3	Confident	1 Å²	1	85.2 Å²	85.2	1%	0.007	44%	0.44	C	S	.	.	H	α-helix	trans	-64.5	-35.2	176.4	77	0	0	0	0	112.1	W26 S38 K39 E40 F46	W26-S42 PolarHBondContact NE1-O 2.97Å; S38-S42 WeakPolarHBondContact O-CB 3.36Å; S38-S42 PolarHBondContact O-N 3.03Å; K39-S42 PolarHBondContact O-N 3.4Å; K39-S42 PolarHBondContact O-OG 3.45Å; E40-S42 VanDerWaalsContact C-N 3.28Å; E40-S42 PolarHBondContact O-N 2.94Å; S42-F46 WeakPolarHBondContact O-CB 3.27Å; S42-F46 PolarHBondContact O-N 3.46Å
43	L	82.8	Confident	80.2	Confident	58 Å²	58	92.4 Å²	92.4	30%	0.304	47%	0.469	S	S	.	.	H	α-helix	trans	-74.2	-42.1	-179.7	-128.8	92.7	0	0	0	111.3	I27 K39 E40 L41 F46 N47	I27-L43 HydrophobicContact CD1-CD1 3.7Å; I27-L43 HydrophobicContact CG1-CD1 4.32Å; K39-L43 PolarHBondContact O-N 2.83Å; K39-L43 VanDerWaalsContact O-N 3.14Å; E40-L43 PolarHBondContact O-N 2.88Å; E40-L43 VanDerWaalsContact O-N 3.13Å; L41-L43 VanDerWaalsContact C-N 3.28Å; L41-L43 PolarHBondContact O-N 2.78Å; L43-F46 PolarHBondContact O-N 2.85Å; L43-N47 VanDerWaalsContact O-CG 3.26Å; L43-N47 PolarHBondContact O-N 3.43Å; L43-N47 VanDerWaalsContact O-N 3.14Å; L43-N47 PolarHBondContact O-ND2 3.06Å
44	T	82.4	Confident	80.6	Confident	79 Å²	79	91.4 Å²	91.4	49%	0.485	46%	0.455	S	S	.	.	H	α-helix	trans	-65.1	-44.3	176.1	52.1	0	0	0	0	110.6	E40 L41 F46 N47 E48	E40-T44 PolarHBondContact O-N 2.95Å; E40-T44 VanDerWaalsContact O-N 3.08Å; E40-T44 PolarHBondContact O-OG1 2.85Å; L41-T44 WeakPolarHBondContact CA-OG1 3.33Å; L41-T44 PolarHBondContact O-OG1 3.02Å; T44-F46 VanDerWaalsContact C-N 3.29Å; T44-F46 PolarHBondContact O-N 2.93Å; T44-N47 PolarHBondContact O-N 3.08Å; T44-E48 WeakPolarHBondContact O-CG 3.34Å; T44-E48 PolarHBondContact O-N 3.35Å; T44-E48 VanDerWaalsContact O-N 3.1Å
45	L	83.3	Confident	81	Confident	71 Å²	71	88.6 Å²	88.6	37%	0.372	44%	0.444	S	S	.	.	H	α-helix	trans	-61.3	-38.4	175.9	-135.8	100.2	0	0	0	112.3	W26 L41 E48 L49	W26-L45 HydrophobicContact CH2-CD2 4.08Å; W26-L45 HydrophobicContact CZ2-CB 4.25Å; W26-L45 HydrophobicContact CZ2-CD2 3.64Å; L41-L45 WeakPolarHBondContact O-CB 3.24Å; L41-L45 PolarHBondContact O-N 3.11Å; L45-E48 PolarHBondContact O-N 2.87Å; L45-L49 HydrophobicContact CD2-CD1 4.07Å; L45-L49 WeakPolarHBondContact O-CB 3.32Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 3.31Å
46	F	85.7	Confident	81.4	Confident	5 Å²	5	89.5 Å²	89.5	2%	0.022	45%	0.449	C	S	.	.	H	α-helix	trans	-60.4	-48.6	177.1	-175	-87	0	0	0	111.1	K23 W26 S42 L43 T44 E48 L49 D50 G55 I57	K23-F46 VanDerWaalsContact CA-CE2 3.48Å; K23-F46 HydrophobicContact CB-CE1 4.03Å; K23-F46 HydrophobicContact CB-CE2 4.05Å; K23-F46 HydrophobicContact CB-CZ 3.78Å; K23-F46 HydrophobicContact CD-CD1 4.35Å; K23-F46 HydrophobicContact CD-CE1 4.32Å; K23-F46 HydrophobicContact CG-CD1 4.22Å; K23-F46 HydrophobicContact CG-CE1 4.19Å; K23-F46 HydrophobicContact CG-CG 4.41Å; K23-F46 HydrophobicContact CG-CZ 4.34Å; W26-F46 HydrophobicContact CB-CD2 3.7Å; W26-F46 HydrophobicContact CB-CE2 4.03Å; W26-F46 AromaticContact CD1-CD2 3.54Å; W26-F46 HydrophobicContact CD2-CD2 4.27Å; W26-F46 HydrophobicContact CG-CB 4.48Å; W26-F46 AromaticContact CG-CD2 3.55Å; W26-F46 HydrophobicContact CG-CD2 3.55Å; W26-F46 HydrophobicContact CG-CE2 4.33Å; W26-F46 HydrophobicContact CG-CG 4.48Å; S42-F46 WeakPolarHBondContact O-CB 3.27Å; S42-F46 PolarHBondContact O-N 3.46Å; L43-F46 PolarHBondContact O-N 2.85Å; T44-F46 VanDerWaalsContact C-N 3.29Å; T44-F46 PolarHBondContact O-N 2.93Å; F46-E48 VanDerWaalsContact C-N 3.28Å; F46-E48 PolarHBondContact O-N 3.21Å; F46-L49 PolarHBondContact O-N 2.97Å; F46-D50 HydrophobicContact CE1-CB 4.22Å; F46-D50 WeakPolarHBondContact O-CB 3.45Å; F46-D50 PolarHBondContact O-N 3.44Å; F46-G55 WeakPolarHBondContact CZ-O 3.35Å; F46-I57 HydrophobicContact CB-CD1 4.33Å; F46-I57 HydrophobicContact CD2-CD1 3.17Å; F46-I57 HydrophobicContact CD2-CG1 4Å; F46-I57 HydrophobicContact CE2-CD1 3.39Å; F46-I57 HydrophobicContact CE2-CG1 3.69Å; F46-I57 HydrophobicContact CG-CD1 3.82Å; F46-I57 HydrophobicContact CZ-CD1 4.17Å; F46-I57 HydrophobicContact CZ-CG1 4.11Å
47	N	80.5	Confident	81.7	Confident	92 Å²	92	83.5 Å²	83.5	49%	0.492	42%	0.417	S	S	.	.	H	α-helix	trans	-65.9	-30.6	-178.6	-64.4	-16.5	0	0	0	112.6	L43 T44	L43-N47 VanDerWaalsContact O-CG 3.26Å; L43-N47 PolarHBondContact O-N 3.43Å; L43-N47 VanDerWaalsContact O-N 3.14Å; L43-N47 PolarHBondContact O-ND2 3.06Å; T44-N47 PolarHBondContact O-N 3.08Å
48	E	80.9	Confident	81.8	Confident	150 Å²	150	84.7 Å²	84.7	70%	0.701	42%	0.42	S	S	*	.	H	α-helix	trans	-75.4	-32.7	176.2	-71	-65.9	136.2	0	0	112.8	T44 L45 F46	T44-E48 WeakPolarHBondContact O-CG 3.34Å; T44-E48 PolarHBondContact O-N 3.35Å; T44-E48 VanDerWaalsContact O-N 3.1Å; L45-E48 PolarHBondContact O-N 2.87Å; F46-E48 VanDerWaalsContact C-N 3.28Å; F46-E48 PolarHBondContact O-N 3.21Å
49	L	80.1	Confident	81.8	Confident	68 Å²	68	82.2 Å²	82.2	36%	0.356	40%	0.402	S	S	.	.	H	α-helix	trans	-79	-35.8	177.9	-73	171.5	0	0	0	112.4	W26 L45 F46 R51 I57	W26-L49 HydrophobicContact CH2-CD1 3.74Å; W26-L49 HydrophobicContact CZ2-CD1 4Å; W26-L49 HydrophobicContact CZ3-CD1 4.38Å; L45-L49 HydrophobicContact CD2-CD1 4.07Å; L45-L49 WeakPolarHBondContact O-CB 3.32Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 3.31Å; F46-L49 PolarHBondContact O-N 2.97Å; L49-R51 VanDerWaalsContact C-N 3.28Å; L49-R51 PolarHBondContact O-N 3Å; L49-I57 HydrophobicContact CB-CD1 3.69Å; L49-I57 HydrophobicContact CB-CG1 4.11Å; L49-I57 HydrophobicContact CB-CG2 4.09Å; L49-I57 HydrophobicContact CD1-CD1 4.14Å
50	D	85	Confident	81.8	Confident	13 Å²	13	78.2 Å²	78.2	7%	0.07	39%	0.393	C	S	.	.			trans	-77.7	71.1	176.1	-177.9	10.2	0	0	0	111.3	F46 D52 K53 D54 G55 I57	F46-D50 HydrophobicContact CE1-CB 4.22Å; F46-D50 WeakPolarHBondContact O-CB 3.45Å; F46-D50 PolarHBondContact O-N 3.44Å; D50-D52 VanDerWaalsContact C-N 3.33Å; D50-D52 PolarHBondContact O-N 3.11Å; D50-K53 PolarHBondContact O-N 3.17Å; D50-K53 VanDerWaalsContact OD1-CA 3.23Å; D50-K53 WeakPolarHBondContact OD1-CA 3.31Å; D50-K53 PolarHBondContact OD1-N 3.15Å; D50-D54 PolarHBondContact OD1-N 3.11Å; D50-D54 VanDerWaalsContact OD1-N 3.08Å; D50-G55 VanDerWaalsContact OD2-CA 3.23Å; D50-G55 WeakPolarHBondContact OD2-CA 3.37Å; D50-G55 PolarHBondContact OD2-N 3.43Å; D50-I57 HydrophobicContact CB-CG1 4.27Å
51	R	75.9	Confident	81.9	Confident	210 Å²	210	74 Å²	74	79%	0.792	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-28.3	-176.2	-71.2	-172.8	-174.7	160.9	6.5	113.9	L49	L49-R51 VanDerWaalsContact C-N 3.28Å; L49-R51 PolarHBondContact O-N 3Å
52	D	82.7	Confident	81.9	Confident	101 Å²	101	70.3 Å²	70.3	54%	0.54	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-4.1	176.9	52.8	-13.1	0	0	0	113.6	D50 D54	D50-D52 VanDerWaalsContact C-N 3.33Å; D50-D52 PolarHBondContact O-N 3.11Å; D52-D54 PolarHBondContact O-N 3.04Å
53	K	75.7	Confident	81.9	Confident	186 Å²	186	71.6 Å²	71.6	81%	0.809	36%	0.363	S	S	*	.			trans	57.3	33.5	176.6	-57.7	-177.1	178.5	-178.6	0	112.4	D50 G55	D50-K53 PolarHBondContact O-N 3.17Å; D50-K53 VanDerWaalsContact OD1-CA 3.23Å; D50-K53 WeakPolarHBondContact OD1-CA 3.31Å; D50-K53 PolarHBondContact OD1-N 3.15Å; K53-G55 VanDerWaalsContact C-N 3.32Å
54	D	83.1	Confident	81.7	Confident	86 Å²	86	74.6 Å²	74.6	46%	0.46	38%	0.375	S	S	.	.	S	Bend	trans	-87.3	-7.7	178.8	79.9	-8.3	0	0	0	112.5	D50 D52 L56	D50-D54 PolarHBondContact OD1-N 3.11Å; D50-D54 VanDerWaalsContact OD1-N 3.08Å; D52-D54 PolarHBondContact O-N 3.04Å; D54-L56 WeakPolarHBondContact OD1-CA 3.24Å; D54-L56 WeakPolarHBondContact OD1-CB 2.95Å; D54-L56 PolarHBondContact OD1-N 2.79Å
55	G	82.3	Confident	81.4	Confident	30 Å²	30	75.7 Å²	75.7	31%	0.309	38%	0.375	S	S	.	.	S	Bend	trans	85.4	12.7	-179.4	0	0	0	0	0	114	F46 D50 K53	F46-G55 WeakPolarHBondContact CZ-O 3.35Å; D50-G55 VanDerWaalsContact OD2-CA 3.23Å; D50-G55 WeakPolarHBondContact OD2-CA 3.37Å; D50-G55 PolarHBondContact OD2-N 3.43Å; K53-G55 VanDerWaalsContact C-N 3.32Å
56	L	84	Confident	81.1	Confident	64 Å²	64	75.2 Å²	75.2	34%	0.335	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.8	-179.5	-61	172.7	0	0	0	110.8	D20 N22 D54	D20-L56 HydrophobicContact CB-CB 4.3Å; N22-L56 HydrophobicContact CB-CD2 3.77Å; D54-L56 WeakPolarHBondContact OD1-CA 3.24Å; D54-L56 WeakPolarHBondContact OD1-CB 2.95Å; D54-L56 PolarHBondContact OD1-N 2.79Å
57	I	84	Confident	80.7	Confident	6 Å²	6	80.5 Å²	80.5	3%	0.031	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.2	173.8	-58.1	169.8	0	0	0	109.3	D20 L21 W26 F46 L49 D50 I62	D20-I57 CarbonylContact C-O 3.49Å; D20-I57 WeakPolarHBondContact CA-O 3.46Å; L21-I57 PolarHBondContact N-O 3.48Å; L21-I57 PolarHBondContact O-N 3.42Å; W26-I57 HydrophobicContact CD2-CD1 4.38Å; W26-I57 HydrophobicContact CE3-CD1 4.46Å; F46-I57 HydrophobicContact CB-CD1 4.33Å; F46-I57 HydrophobicContact CD2-CD1 3.17Å; F46-I57 HydrophobicContact CD2-CG1 4Å; F46-I57 HydrophobicContact CE2-CD1 3.39Å; F46-I57 HydrophobicContact CE2-CG1 3.69Å; F46-I57 HydrophobicContact CG-CD1 3.82Å; F46-I57 HydrophobicContact CZ-CD1 4.17Å; F46-I57 HydrophobicContact CZ-CG1 4.11Å; L49-I57 HydrophobicContact CB-CD1 3.69Å; L49-I57 HydrophobicContact CB-CG1 4.11Å; L49-I57 HydrophobicContact CB-CG2 4.09Å; L49-I57 HydrophobicContact CD1-CD1 4.14Å; D50-I57 HydrophobicContact CB-CG1 4.27Å; I57-I62 HydrophobicContact CG2-CD1 3.68Å; I57-I62 HydrophobicContact CG2-CG1 3.88Å
58	K	84.6	Confident	80.6	Confident	80 Å²	80	80.1 Å²	80.1	35%	0.348	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.6	177.7	-55.1	-156.8	174.7	81.5	0	111.3	D20 S60 D61 I62	D20-K58 WeakPolarHBondContact OD1-CG 3.29Å; K58-S60 PolarHBondContact O-N 3.48Å; K58-D61 HydrophobicContact CB-CB 4.29Å; K58-D61 PolarHBondContact O-N 3.3Å; K58-D61 VanDerWaalsContact O-N 3.17Å; K58-I62 PolarHBondContact O-N 3.17Å
59	I	81.7	Confident	80.1	Confident	11 Å²	11	80.4 Å²	80.4	6%	0.056	39%	0.387	C	S	.	.	H	α-helix	trans	-62.4	-32.1	176.6	-65.3	172	0	0	0	111	L10 D14 G19 L21 D61 L63	L10-I59 HydrophobicContact CB-CD1 4.22Å; L10-I59 HydrophobicContact CB-CG1 4.35Å; L10-I59 HydrophobicContact CB-CG2 4.01Å; L10-I59 HydrophobicContact CD1-CG2 4.02Å; D14-I59 HydrophobicContact CB-CD1 4.07Å; G19-I59 WeakPolarHBondContact O-CB 3.17Å; G19-I59 WeakPolarHBondContact O-CG1 3.29Å; G19-I59 PolarHBondContact O-N 2.91Å; L21-I59 HydrophobicContact CD1-CD1 4.44Å; L21-I59 HydrophobicContact CD1-CG1 4.03Å; L21-I59 HydrophobicContact CG-CD1 4.14Å; L21-I59 HydrophobicContact CG-CG1 3.97Å; I59-D61 VanDerWaalsContact C-N 3.29Å; I59-D61 PolarHBondContact O-N 2.87Å; I59-L63 HydrophobicContact CG2-CD1 3.91Å; I59-L63 HydrophobicContact CG2-CG 4.34Å; I59-L63 VanDerWaalsContact O-CG 3.32Å; I59-L63 WeakPolarHBondContact O-CG 3.49Å; I59-L63 PolarHBondContact O-N 2.86Å; I59-L63 VanDerWaalsContact O-N 3.11Å
60	S	81.2	Confident	79.7	Confident	68 Å²	68	80.7 Å²	80.7	48%	0.476	39%	0.387	S	S	.	.	H	α-helix	trans	-59.3	-40.2	176.5	52.5	0	0	0	0	112.8	K58 L63 Q64	K58-S60 PolarHBondContact O-N 3.48Å; S60-L63 PolarHBondContact O-N 3.27Å; S60-Q64 WeakPolarHBondContact O-CB 3.24Å; S60-Q64 PolarHBondContact O-N 3.47Å
61	D	81.7	Confident	79.1	Confident	75 Å²	75	85.1 Å²	85.1	40%	0.401	41%	0.407	S	S	.	.	H	α-helix	trans	-75.3	-40	-171.5	-60.9	2.1	0	0	0	109.2	K58 I59 L63 Q64 E65	K58-D61 HydrophobicContact CB-CB 4.29Å; K58-D61 PolarHBondContact O-N 3.3Å; K58-D61 VanDerWaalsContact O-N 3.17Å; I59-D61 VanDerWaalsContact C-N 3.29Å; I59-D61 PolarHBondContact O-N 2.87Å; D61-L63 PolarHBondContact O-N 2.79Å; D61-Q64 PolarHBondContact O-N 3.44Å; D61-E65 WeakPolarHBondContact O-CG 3.41Å; D61-E65 PolarHBondContact O-N 3.06Å
62	I	79.9	Confident	78.5	Confident	22 Å²	22	77.7 Å²	77.7	11%	0.113	39%	0.387	C	S	.	.	H	α-helix	trans	-58.2	-47.8	170.8	-60.4	170.8	0	0	0	110.9	L10 W26 I57 K58 Q64 L66	L10-I62 HydrophobicContact CD1-CG2 4.34Å; W26-I62 HydrophobicContact CZ3-CD1 3.93Å; I57-I62 HydrophobicContact CG2-CD1 3.68Å; I57-I62 HydrophobicContact CG2-CG1 3.88Å; K58-I62 PolarHBondContact O-N 3.17Å; I62-Q64 VanDerWaalsContact C-N 3.33Å; I62-Q64 PolarHBondContact O-N 2.93Å; I62-L66 HydrophobicContact CG2-CD1 3.96Å; I62-L66 WeakPolarHBondContact O-CB 3.31Å; I62-L66 VanDerWaalsContact O-CG 3.3Å; I62-L66 WeakPolarHBondContact O-CG 3.41Å; I62-L66 PolarHBondContact O-N 3.29Å
63	L	81.6	Confident	77.1	Confident	28 Å²	28	75.9 Å²	75.9	15%	0.147	38%	0.378	C	S	.	.	H	α-helix	trans	-67.6	-34.5	-179.1	-69.8	172.7	0	0	0	112.2	I3 K7 L10 I59 S60 D61 K67	I3-L63 HydrophobicContact CG2-CD2 4.01Å; K7-L63 HydrophobicContact CB-CD1 4.15Å; K7-L63 HydrophobicContact CB-CD2 4.12Å; K7-L63 HydrophobicContact CD-CD1 4.11Å; K7-L63 HydrophobicContact CG-CD1 3.9Å; L10-L63 HydrophobicContact CD1-CD2 4.37Å; I59-L63 HydrophobicContact CG2-CD1 3.91Å; I59-L63 HydrophobicContact CG2-CG 4.34Å; I59-L63 VanDerWaalsContact O-CG 3.32Å; I59-L63 WeakPolarHBondContact O-CG 3.49Å; I59-L63 PolarHBondContact O-N 2.86Å; I59-L63 VanDerWaalsContact O-N 3.11Å; S60-L63 PolarHBondContact O-N 3.27Å; D61-L63 PolarHBondContact O-N 2.79Å; L63-K67 WeakPolarHBondContact O-CB 3.25Å; L63-K67 PolarHBondContact O-N 3.4Å
64	Q	79.8	Confident	76	Confident	121 Å²	121	73 Å²	73	57%	0.565	37%	0.367	S	S	*	.	H	α-helix	trans	-67	-47.9	176.7	-177.3	175.3	1	0	0	111.2	S60 D61 I62 L66 K67 I68	S60-Q64 WeakPolarHBondContact O-CB 3.24Å; S60-Q64 PolarHBondContact O-N 3.47Å; D61-Q64 PolarHBondContact O-N 3.44Å; I62-Q64 VanDerWaalsContact C-N 3.33Å; I62-Q64 PolarHBondContact O-N 2.93Å; Q64-L66 VanDerWaalsContact C-N 3.32Å; Q64-L66 PolarHBondContact O-N 3.15Å; Q64-K67 PolarHBondContact O-N 3.15Å; Q64-K67 VanDerWaalsContact O-N 3.14Å; Q64-I68 HydrophobicContact CG-CD1 4.11Å; Q64-I68 WeakPolarHBondContact O-CG1 3.42Å; Q64-I68 PolarHBondContact O-N 3.38Å
65	E	75.6	Confident	74.3	Confident	102 Å²	102	72.7 Å²	72.7	48%	0.477	37%	0.371	S	S	.	.	H	α-helix	trans	-60.7	-41	177.2	-73.5	-65.8	164.7	0	0	111.7	D61 K67 I68 W69	D61-E65 WeakPolarHBondContact O-CG 3.41Å; D61-E65 PolarHBondContact O-N 3.06Å; E65-K67 VanDerWaalsContact C-N 3.34Å; E65-K67 PolarHBondContact O-N 3.48Å; E65-I68 PolarHBondContact O-N 2.96Å; E65-W69 WeakPolarHBondContact O-CB 3.4Å; E65-W69 PolarHBondContact O-N 2.98Å
66	L	76.7	Confident	72	Confident	61 Å²	61	78 Å²	78	32%	0.319	39%	0.393	S	S	.	.	H	α-helix	trans	-67.9	-32.7	175.5	-72.2	171.8	0	0	0	113.3	L6 I62 Q64 W69 E70	L6-L66 HydrophobicContact CD2-CD1 3.18Å; I62-L66 HydrophobicContact CG2-CD1 3.96Å; I62-L66 WeakPolarHBondContact O-CB 3.31Å; I62-L66 VanDerWaalsContact O-CG 3.3Å; I62-L66 WeakPolarHBondContact O-CG 3.41Å; I62-L66 PolarHBondContact O-N 3.29Å; Q64-L66 VanDerWaalsContact C-N 3.32Å; Q64-L66 PolarHBondContact O-N 3.15Å; L66-W69 WeakPolarHBondContact O-CB 3.49Å; L66-W69 PolarHBondContact O-N 2.98Å; L66-E70 PolarHBondContact O-N 2.99Å
67	K	78.8	Confident	69.3	Low	116 Å²	116	79.4 Å²	79.4	50%	0.504	41%	0.407	S	S	.	.	H	α-helix	trans	-70	-42.2	175.4	-165.9	-174.9	-178.3	-152.4	0	111.3	I3 L63 Q64 E65 W69 E70 E71	I3-K67 HydrophobicContact CD1-CB 4.48Å; L63-K67 WeakPolarHBondContact O-CB 3.25Å; L63-K67 PolarHBondContact O-N 3.4Å; Q64-K67 PolarHBondContact O-N 3.15Å; Q64-K67 VanDerWaalsContact O-N 3.14Å; E65-K67 VanDerWaalsContact C-N 3.34Å; E65-K67 PolarHBondContact O-N 3.48Å; K67-W69 PolarHBondContact O-N 3.39Å; K67-E70 PolarHBondContact O-N 3.23Å; K67-E71 WeakPolarHBondContact CE-OE1 3.31Å; K67-E71 IonicContact NZ-OE1 3.34Å; K67-E71 PolarHBondContact NZ-OE1 3.46Å; K67-E71 WeakPolarHBondContact O-CB 3.32Å; K67-E71 WeakPolarHBondContact O-CG 2.84Å; K67-E71 PolarHBondContact O-N 3.11Å
68	I	77.8	Confident	66.6	Low	84 Å²	84	85.7 Å²	85.7	43%	0.431	44%	0.441	S	S	.	.	H	α-helix	trans	-58.4	-41.1	172.5	-66.2	165.1	0	0	0	109.6	Q64 E65 E71 S72	Q64-I68 HydrophobicContact CG-CD1 4.11Å; Q64-I68 WeakPolarHBondContact O-CG1 3.42Å; Q64-I68 PolarHBondContact O-N 3.38Å; E65-I68 PolarHBondContact O-N 2.96Å; I68-E71 PolarHBondContact O-N 3.24Å; I68-S72 WeakPolarHBondContact O-CB 3.44Å; I68-S72 PolarHBondContact O-N 2.91Å; I68-S72 PolarHBondContact O-OG 2.91Å
69	W	71.1	Confident	63.7	Low	156 Å²	156	91.3 Å²	91.3	59%	0.591	47%	0.465	S	S	*	.	H	α-helix	trans	-63.8	-44.6	175.5	-171.4	85	0	0	0	112.8	E65 L66 K67 S72 N73	E65-W69 WeakPolarHBondContact O-CB 3.4Å; E65-W69 PolarHBondContact O-N 2.98Å; L66-W69 WeakPolarHBondContact O-CB 3.49Å; L66-W69 PolarHBondContact O-N 2.98Å; K67-W69 PolarHBondContact O-N 3.39Å; W69-S72 PolarHBondContact O-N 3.17Å; W69-S72 PolarHBondContact O-OG 2.77Å; W69-N73 VanDerWaalsContact CD2-ND2 3.31Å; W69-N73 WeakPolarHBondContact CH2-ND2 3.45Å; W69-N73 WeakPolarHBondContact CZ2-ND2 3.36Å; W69-N73 VanDerWaalsContact CZ3-ND2 3.31Å; W69-N73 WeakPolarHBondContact CZ3-ND2 3.34Å; W69-N73 PolarHBondContact O-N 3.48Å; W69-N73 PolarHBondContact O-ND2 3.19Å
70	E	71.8	Confident	61	Low	75 Å²	75	97.7 Å²	97.7	35%	0.35	50%	0.5	S	S	.	.	H	α-helix	trans	-62.5	-43.5	174	-95.3	-168.5	179.5	0	0	112.7	I3 L66 K67 S72 N73 Q74	I3-E70 HydrophobicContact CD1-CB 4.5Å; I3-E70 HydrophobicContact CD1-CG 4.17Å; I3-E70 WeakPolarHBondContact CD1-OE2 3.35Å; L66-E70 PolarHBondContact O-N 2.99Å; K67-E70 PolarHBondContact O-N 3.23Å; E70-S72 VanDerWaalsContact C-N 3.34Å; E70-N73 PolarHBondContact O-N 3.08Å; E70-Q74 WeakPolarHBondContact O-CB 3.33Å; E70-Q74 WeakPolarHBondContact O-CG 3.26Å; E70-Q74 PolarHBondContact O-N 3.14Å
71	E	70.9	Confident	58.2	Low	105 Å²	105	102.7 Å²	102.7	49%	0.491	52%	0.515	S	S	.	.	H	α-helix	trans	-63.8	-40.6	177.7	-72.4	174.4	-171.4	0	0	110.9	K67 I68 N73 Q74 S75	K67-E71 WeakPolarHBondContact CE-OE1 3.31Å; K67-E71 IonicContact NZ-OE1 3.34Å; K67-E71 PolarHBondContact NZ-OE1 3.46Å; K67-E71 WeakPolarHBondContact O-CB 3.32Å; K67-E71 WeakPolarHBondContact O-CG 2.84Å; K67-E71 PolarHBondContact O-N 3.11Å; I68-E71 PolarHBondContact O-N 3.24Å; E71-N73 VanDerWaalsContact C-N 3.34Å; E71-N73 PolarHBondContact O-N 2.9Å; E71-Q74 PolarHBondContact O-N 2.91Å; E71-S75 WeakPolarHBondContact O-CB 3.19Å; E71-S75 PolarHBondContact O-N 3.01Å; E71-S75 PolarHBondContact O-OG 2.92Å
72	S	64.2	Low	55.4	Low	54 Å²	54	108.1 Å²	108.1	38%	0.378	54%	0.535	S	S	.	.	H	α-helix	trans	-63	-40.1	175	76.2	0	0	0	0	112	I68 W69 E70 S75 N76	I68-S72 WeakPolarHBondContact O-CB 3.44Å; I68-S72 PolarHBondContact O-N 2.91Å; I68-S72 PolarHBondContact O-OG 2.91Å; W69-S72 PolarHBondContact O-N 3.17Å; W69-S72 PolarHBondContact O-OG 2.77Å; E70-S72 VanDerWaalsContact C-N 3.34Å; S72-S75 PolarHBondContact O-OG 2.89Å; S72-N76 PolarHBondContact O-N 3.11Å
73	N	52.6	Low	52.8	Low	64 Å²	64	112.7 Å²	112.7	34%	0.342	56%	0.56	S	S	.	*	H	α-helix	trans	-73.2	-38.5	177.8	-75.8	-28.5	0	0	0	112.6	W69 E70 E71 S75 N76 C77	W69-N73 VanDerWaalsContact CD2-ND2 3.31Å; W69-N73 WeakPolarHBondContact CH2-ND2 3.45Å; W69-N73 WeakPolarHBondContact CZ2-ND2 3.36Å; W69-N73 VanDerWaalsContact CZ3-ND2 3.31Å; W69-N73 WeakPolarHBondContact CZ3-ND2 3.34Å; W69-N73 PolarHBondContact O-N 3.48Å; W69-N73 PolarHBondContact O-ND2 3.19Å; E70-N73 PolarHBondContact O-N 3.08Å; E71-N73 VanDerWaalsContact C-N 3.34Å; E71-N73 PolarHBondContact O-N 2.9Å; N73-S75 VanDerWaalsContact C-N 3.32Å; N73-S75 PolarHBondContact O-N 3.47Å; N73-N76 PolarHBondContact O-N 3.25Å; N73-C77 PolarHBondContact O-N 3.39Å; N73-C77 PolarHBondContact O-SG 2.68Å
74	Q	52.3	Low	49.9	Very low	125 Å²	125	123 Å²	123	58%	0.584	60%	0.597	S	S	*	*	H	α-helix	trans	-67.9	-32.8	175.8	-74.2	-176	11.9	0	0	112.2	E70 E71 N76 C77	E70-Q74 WeakPolarHBondContact O-CB 3.33Å; E70-Q74 WeakPolarHBondContact O-CG 3.26Å; E70-Q74 PolarHBondContact O-N 3.14Å; E71-Q74 PolarHBondContact O-N 2.91Å; Q74-N76 PolarHBondContact O-N 2.94Å; Q74-C77 WeakPolarHBondContact O-CB 3.44Å; Q74-C77 PolarHBondContact O-N 3.42Å
75	S	47	Very low	47.3	Very low	79 Å²	79	125 Å²	125	55%	0.552	61%	0.61	S	S	*	*	H	α-helix	trans	-67	-24.8	173.5	68.3	0	0	0	0	113.1	E71 S72 N73 C77	E71-S75 WeakPolarHBondContact O-CB 3.19Å; E71-S75 PolarHBondContact O-N 3.01Å; E71-S75 PolarHBondContact O-OG 2.92Å; S72-S75 PolarHBondContact O-OG 2.89Å; N73-S75 VanDerWaalsContact C-N 3.32Å; N73-S75 PolarHBondContact O-N 3.47Å; S75-C77 VanDerWaalsContact C-N 3.29Å; S75-C77 PolarHBondContact O-N 3Å
76	N	34.2	Very low	44.9	Very low	143 Å²	143	126.5 Å²	126.5	77%	0.765	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-0.7	171.2	-95.6	-7.5	0	0	0	114.3	S72 N73 Q74	S72-N76 PolarHBondContact O-N 3.11Å; N73-N76 PolarHBondContact O-N 3.25Å; Q74-N76 PolarHBondContact O-N 2.94Å
77	C	28.2	Very low	42.3	Very low	92 Å²	92	130.3 Å²	130.3	62%	0.622	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-4.7	176	-55.3	0	0	0	0	114.1	N73 Q74 S75	N73-C77 PolarHBondContact O-N 3.39Å; N73-C77 PolarHBondContact O-SG 2.68Å; Q74-C77 WeakPolarHBondContact O-CB 3.44Å; Q74-C77 PolarHBondContact O-N 3.42Å; S75-C77 VanDerWaalsContact C-N 3.29Å; S75-C77 PolarHBondContact O-N 3Å
78	N	26.2	Very low	39.8	Very low	139 Å²	139	132.3 Å²	132.3	74%	0.743	66%	0.658	S	S	*	*			trans	-99.1	29.1	-171.8	-79.6	-18.6	0	0	0	115.1
79	F	23.7	Very low	37.2	Very low	197 Å²	197	135.7 Å²	135.7	86%	0.864	68%	0.677	S	S	*	*			trans	-109.8	71.9	162.5	-96.3	-86.5	0	0	0	109.5
80	N	24.9	Very low	34.9	Very low	145 Å²	145	135.3 Å²	135.3	78%	0.775	69%	0.687	S	S	*	*			trans	-155.2	74.6	155.3	-89	-34.8	0	0	0	108.2	F82	N80-F82 PolarHBondContact O-N 2.71Å
81	H	24.2	Very low	32.7	Very low	173 Å²	173	139.7 Å²	139.7	80%	0.801	71%	0.712	S	S	*	*			trans	-67.9	84.9	157.2	-167.3	-7	0	0	0	106.9
82	F	22.9	Very low	30.4	Very low	189 Å²	189	142.5 Å²	142.5	83%	0.829	73%	0.726	S	S	*	*			trans	-132.1	130.3	162	-110.2	-82.9	0	0	0	109.1	N80	N80-F82 PolarHBondContact O-N 2.71Å
83	D	24.3	Very low	28.3	Very low	119 Å²	119	147.6 Å²	147.6	64%	0.636	75%	0.749	S	S	*	*			trans	-61.5	149.6	-160.7	-72.7	-58.6	0	0	0	115.1	I85	D83-I85 PolarHBondContact O-N 3.09Å; D83-I85 VanDerWaalsContact O-N 3.1Å
84	R	21.1	Very low	27	Very low	245 Å²	245	148.3 Å²	148.3	93%	0.925	77%	0.772	S	S	*	*			trans	-38.8	110	150.6	-74.4	171.3	167.6	166.3	-4.7	110.2
85	I	25.2	Very low	25.5	Very low	161 Å²	161	149.4 Å²	149.4	83%	0.826	78%	0.781	S	S	*	*			trans	-125.2	112.9	155.8	-62.9	-179	0	0	0	107.1	D83	D83-I85 PolarHBondContact O-N 3.09Å; D83-I85 VanDerWaalsContact O-N 3.1Å
86	D	25.2	Very low	24.3	Very low	135 Å²	135	153.5 Å²	153.5	72%	0.722	79%	0.792	S	S	*	*			trans	-56.1	142.5	175.5	-70.7	-55.9	0	0	0	112.2
87	N	22.4	Very low	23.6	Very low	140 Å²	140	153.1 Å²	153.1	75%	0.749	80%	0.799	S	S	*	*			trans	31.9	99.7	137.5	-63.2	-35	0	0	0	117.3
88	N	25.8	Very low	23.2	Very low	159 Å²	159	157.2 Å²	157.2	85%	0.85	81%	0.806	S	S	*	*				-172.5	100	120	-102.5	-24.9	0	0	0	111.1	N90	N88-N90 PolarHBondContact O-N 3.49Å
89	N	22.5	Very low	23	Very low	154 Å²	154	157 Å²	157	82%	0.824	81%	0.805	S	S	*	*			trans	-63.1	108.7	150.5	-83.6	-26.3	0	0	0	107.9
90	N	23.1	Very low	22.9	Very low	148 Å²	148	156 Å²	156	79%	0.791	80%	0.803	S	S	*	*			trans	172.5	94	143.7	-87.4	-18.8	0	0	0	108.6	N88	N88-N90 PolarHBondContact O-N 3.49Å
91	N	26	Very low	22.6	Very low	167 Å²	167	158 Å²	158	89%	0.893	81%	0.808	S	S	*	*				-177.7	143.9	122.1	-93	-20.6	0	0	0	112
92	Q	22	Very low	22.4	Very low	164 Å²	164	158.1 Å²	158.1	77%	0.766	81%	0.813	S	S	*	*			trans	-70.4	163.4	-178.7	-60.4	170.3	-31.6	0	0	112.1
93	N	21.4	Very low	22.2	Very low	161 Å²	161	156.2 Å²	156.2	86%	0.861	81%	0.81	S	S	*	*			trans	88.2	114.6	155.6	-55.9	-23.9	0	0	0	117.3
94	G	23.7	Very low	22	Very low	80 Å²	80	157.3 Å²	157.3	83%	0.825	82%	0.815	S	S	*	*			trans	170.8	79.6	166.7	0	0	0	0	0	112
95	N	21.9	Very low	22.1	Very low	147 Å²	147	154 Å²	154	79%	0.786	81%	0.81	S	S	*	*			trans	-59	146.1	171.5	-85.2	-14.5	0	0	0	112.7
96	E	20.4	Very low	21.8	Very low	165 Å²	165	155.9 Å²	155.9	77%	0.771	82%	0.816	S	S	*	*			trans	50	109.4	138.9	-61.1	-178.3	148.7	0	0	119
97	C	21	Very low	21.7	Very low	136 Å²	136	153.2 Å²	153.2	92%	0.919	82%	0.82	S	S	*	*			trans	-144.4	117.6	133.8	-102.5	0	0	0	0	110.4
98	K	19.6	Very low	21.7	Very low	177 Å²	177	155 Å²	155	77%	0.77	83%	0.829	S	S	*	*			trans	-70.9	148.5	158.7	-61.9	168.6	179	172.6	0	107.5
99	N	21.7	Very low	21.5	Very low	136 Å²	136	150.7 Å²	150.7	73%	0.727	82%	0.822	S	S	*	*			trans	170.1	125.7	131.1	-82.6	-9.1	0	0	0	111.8
100	E	22.2	Very low	21.5	Very low	175 Å²	175	150.2 Å²	150.2	82%	0.818	83%	0.825	S	S	*	*			trans	82.7	105.6	132.2	-66.2	170.3	179.5	0	0	120.1
101	E	17.8	Very low	21.6	Very low	188 Å²	188	152.8 Å²	152.8	88%	0.879	83%	0.83	S	S	*	*			trans	-42.3	135.5	151	-66.9	166.9	122.9	0	0	113.1
102	L	20.4	Very low	21.5	Very low	175 Å²	175	148.2 Å²	148.2	92%	0.916	82%	0.821	S	S	*	*			trans	-143.3	118	151.1	-93.3	169.1	0	0	0	110.4
103	I	17.8	Very low	21.5	Very low	149 Å²	149	149.6 Å²	149.6	76%	0.764	83%	0.825	S	S	*	*			trans	-56.7	149.8	166.1	-64.2	155.3	0	0	0	109.5
104	L	21.7	Very low	21.6	Very low	141 Å²	141	148.9 Å²	148.9	74%	0.738	82%	0.821	S	S	*	*			trans	179.5	120.4	138	-90.9	160.4	0	0	0	112.4
105	E	21.8	Very low	21.6	Very low	175 Å²	175	153.9 Å²	153.9	82%	0.818	82%	0.823	S	S	*	*			trans	79.7	130.7	133.7	-74.9	176.8	-175.3	0	0	124.5
106	Q	20.2	Very low	21.8	Very low	202 Å²	202	153.9 Å²	153.9	94%	0.944	83%	0.829	S	S	*	*			trans	-82.7	147.7	178.8	-60.5	170.7	-10.9	0	0	110.8
107	G	23.1	Very low	21.9	Very low	78 Å²	78	155.3 Å²	155.3	80%	0.804	84%	0.835	S	S	*	*			trans	-157.2	96.5	170.2	0	0	0	0	0	112
108	N	20.7	Very low	22	Very low	177 Å²	177	157.2 Å²	157.2	95%	0.947	83%	0.831	S	S	*	*			trans	-64.9	126	169.6	-85.1	-29.5	0	0	0	110.9
109	G	23.3	Very low	22.2	Very low	69 Å²	69	157.3 Å²	157.3	71%	0.711	84%	0.839	S	S	*	*			trans	-134.1	96.2	172.3	0	0	0	0	0	111.1
110	V	22.8	Very low	22.2	Very low	145 Å²	145	156.4 Å²	156.4	88%	0.879	84%	0.843	S	S	*	*			trans	-73.9	118.3	171.8	173.8	0	0	0	0	108.6
111	F	25.2	Very low	22.1	Very low	202 Å²	202	159.3 Å²	159.3	89%	0.886	85%	0.846	S	S	*	*			trans	-124.5	116.1	169.2	-105.3	-84.5	0	0	0	111.7
112	G	23.3	Very low	22.5	Very low	70 Å²	70	158 Å²	158	72%	0.722	84%	0.843	S	S	*	*				72.5	93.7	125.2	0	0	0	0	0	118.7
113	K	21.7	Very low	22.7	Very low	193 Å²	193	157.9 Å²	157.9	84%	0.839	84%	0.843	S	S	*	*			trans	-63.1	157.2	155	-65	179.1	174.5	-179.9	0	111.3
114	N	23.2	Very low	23.1	Very low	146 Å²	146	157 Å²	157	78%	0.781	85%	0.845	S	S	*	*			trans	87.6	96.1	161.3	-55.2	-14.6	0	0	0	116.7
115	Q	23.8	Very low	23.2	Very low	185 Å²	185	161.3 Å²	161.3	86%	0.864	85%	0.851	S	S	*	*				170	100.1	129.9	-93.4	167.5	42.8	0	0	108.1
116	T	25.3	Very low	23.5	Very low	148 Å²	148	157.8 Å²	157.8	91%	0.908	85%	0.846	S	S	*	*			trans	177.1	42.2	149.8	28.6	0	0	0	0	111.5	Q118	T116-Q118 VanDerWaalsContact C-N 3.26Å; T116-Q118 PolarHBondContact O-N 3.17Å
117	E	22.9	Very low	23.8	Very low	195 Å²	195	154.4 Å²	154.4	91%	0.911	83%	0.834	S	S	*	*			trans	-81.7	74	156.7	-79.6	-173.8	151.6	0	0	108.6
118	Q	23.6	Very low	24.2	Very low	176 Å²	176	157.2 Å²	157.2	82%	0.822	83%	0.829	S	S	*	*			trans	-164.3	39.5	167.7	-121	178	48.3	0	0	116.4	T116	T116-Q118 VanDerWaalsContact C-N 3.26Å; T116-Q118 PolarHBondContact O-N 3.17Å
119	L	23.9	Very low	24.7	Very low	179 Å²	179	158.5 Å²	158.5	94%	0.937	83%	0.827	S	S	*	*			trans	-140.7	41.6	167.9	-74.2	178.7	0	0	0	113.9
120	S	21.4	Very low	25.2	Very low	116 Å²	116	160 Å²	160	81%	0.811	83%	0.826	S	S	*	*			trans	-113.2	53.7	171.2	68.7	0	0	0	0	112.4
121	R	21.1	Very low	25.7	Very low	237 Å²	237	156.8 Å²	156.8	89%	0.894	80%	0.804	S	S	*	*			trans	-147.3	137.7	160.5	-69.5	-169	179.3	126.9	1.8	108.4
122	I	24.5	Very low	26.2	Very low	159 Å²	159	151.4 Å²	151.4	82%	0.815	79%	0.79	S	S	*	*			trans	91	78.5	-178.3	-45.8	159.2	0	0	0	112.8
123	L	25.3	Very low	27.1	Very low	174 Å²	174	153.2 Å²	153.2	91%	0.911	78%	0.782	S	S	*	*				-162.5	85.1	129.2	-97.8	166.8	0	0	0	106.9	R125	L123-R125 PolarHBondContact O-N 3.48Å
124	T	25.3	Very low	28	Very low	130 Å²	130	148.2 Å²	148.2	80%	0.798	76%	0.763	S	S	*	*			trans	-62.9	116.8	173	38.1	0	0	0	0	110.7	S126	T124-S126 PolarHBondContact O-N 3.46Å; T124-S126 VanDerWaalsContact O-N 3.15Å
125	R	24	Very low	28.6	Very low	232 Å²	232	146.9 Å²	146.9	88%	0.875	76%	0.755	S	S	*	*			trans	17.6	85.5	140.3	-66.2	179.6	175.6	176.8	-1.9	115.2	L123 N127	L123-R125 PolarHBondContact O-N 3.48Å; R125-N127 PolarHBondContact O-N 3Å
126	S	27.9	Very low	29.3	Very low	101 Å²	101	143.8 Å²	143.8	71%	0.706	74%	0.741	S	S	*	*			trans	-81.1	101.2	156.1	48.1	0	0	0	0	108.2	T124 I128	T124-S126 PolarHBondContact O-N 3.46Å; T124-S126 VanDerWaalsContact O-N 3.15Å; S126-I128 PolarHBondContact O-N 3.5Å
127	N	27.4	Very low	29.8	Very low	131 Å²	131	145.8 Å²	145.8	70%	0.701	73%	0.732	S	S	*	*			trans	-60.9	95.8	169.9	-82.4	-41.6	0	0	0	109.8	R125 K129	R125-N127 PolarHBondContact O-N 3Å; N127-K129 PolarHBondContact O-N 3.44Å
128	I	31.2	Very low	30.1	Very low	136 Å²	136	145.3 Å²	145.3	70%	0.697	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-71.4	7.2	176.3	-68.8	166.6	0	0	0	112.6	S126 S130	S126-I128 PolarHBondContact O-N 3.5Å; I128-S130 VanDerWaalsContact C-N 3.3Å; I128-S130 PolarHBondContact O-N 2.96Å
129	K	30.7	Very low	30.7	Very low	204 Å²	204	144.4 Å²	144.4	89%	0.887	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-80.4	4.4	178.7	-74.1	-170.6	177.5	179.4	0	115.7	N127	N127-K129 PolarHBondContact O-N 3.44Å
130	S	34.6	Very low	31.2	Very low	100 Å²	100	144.9 Å²	144.9	70%	0.699	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-111.7	23.1	179.7	66.5	0	0	0	0	114.8	I128 P132	I128-S130 VanDerWaalsContact C-N 3.3Å; I128-S130 PolarHBondContact O-N 2.96Å; S130-P132 WeakPolarHBondContact O-CD 3.33Å
131	N	32.6	Very low	31.6	Very low	78 Å²	78	150 Å²	150	42%	0.417	71%	0.711	S	S	.	*			trans	-80.4	107.5	176.2	-161.1	-22.8	0	0	0	110.7	I133 I134	N131-I133 PolarHBondContact O-N 3.41Å; N131-I133 VanDerWaalsContact O-N 3.09Å; N131-I133 PolarHBondContact OD1-N 3.37Å; N131-I134 HydrophobicContact CB-CD1 4.23Å; N131-I134 HydrophobicContact CB-CG1 4.47Å; N131-I134 PolarHBondContact O-N 2.79Å; N131-I134 VanDerWaalsContact O-N 3.1Å
132	P	36.8	Very low	31.8	Very low	90 Å²	90	148 Å²	148	58%	0.584	71%	0.705	S	S	*	*	H	α-helix	trans	-64.7	-17.6	-173.2	26.2	-33.7	0	0	0	113.3	S130 I134 L135 E136	S130-P132 WeakPolarHBondContact O-CD 3.33Å; P132-I134 VanDerWaalsContact C-N 3.29Å; P132-I134 PolarHBondContact O-N 2.88Å; P132-L135 PolarHBondContact O-N 2.88Å; P132-E136 PolarHBondContact O-N 2.8Å
133	I	42.7	Very low	31.9	Very low	108 Å²	108	145.5 Å²	145.5	55%	0.554	70%	0.701	S	S	*	*	H	α-helix	trans	-69.6	-27.8	177.5	-57.5	173.9	0	0	0	111.5	N131 R137	N131-I133 PolarHBondContact O-N 3.41Å; N131-I133 VanDerWaalsContact O-N 3.09Å; N131-I133 PolarHBondContact OD1-N 3.37Å; I133-R137 PolarHBondContact O-N 3.21Å
134	I	39.5	Very low	32	Very low	88 Å²	88	144.8 Å²	144.8	45%	0.451	70%	0.697	S	S	.	*	H	α-helix	trans	-78.4	-29.5	178.7	-63.1	175	0	0	0	111.3	N131 P132 R138	N131-I134 HydrophobicContact CB-CD1 4.23Å; N131-I134 HydrophobicContact CB-CG1 4.47Å; N131-I134 PolarHBondContact O-N 2.79Å; N131-I134 VanDerWaalsContact O-N 3.1Å; P132-I134 VanDerWaalsContact C-N 3.29Å; P132-I134 PolarHBondContact O-N 2.88Å; I134-R138 PolarHBondContact O-N 2.92Å
135	L	35.8	Very low	32.1	Very low	118 Å²	118	145.5 Å²	145.5	62%	0.618	69%	0.694	S	S	*	*	H	α-helix	trans	-70.1	-38.4	175.9	-80.1	163.1	0	0	0	112.2	P132 R137 R138 K139	P132-L135 PolarHBondContact O-N 2.88Å; L135-R137 VanDerWaalsContact C-N 3.35Å; L135-R137 PolarHBondContact O-N 3.37Å; L135-R138 PolarHBondContact O-N 3.13Å; L135-K139 PolarHBondContact O-N 3.07Å
136	E	39.4	Very low	32.1	Very low	119 Å²	119	138.4 Å²	138.4	56%	0.556	68%	0.678	S	S	*	*	H	α-helix	trans	-67.2	-34.1	176.1	-84.2	-64.9	135.6	0	0	112.5	P132 K139	P132-E136 PolarHBondContact O-N 2.8Å; E136-K139 PolarHBondContact O-N 3.42Å
137	R	34.1	Very low	32.1	Very low	191 Å²	191	139 Å²	139	72%	0.721	68%	0.683	S	S	*	*	H	α-helix	trans	-72.9	-31.3	177.4	-74.3	-175.4	176.6	172.2	-0.2	113.6	I133 L135 K139 K140	I133-R137 PolarHBondContact O-N 3.21Å; L135-R137 VanDerWaalsContact C-N 3.35Å; L135-R137 PolarHBondContact O-N 3.37Å; R137-K139 VanDerWaalsContact C-N 3.31Å; R137-K139 PolarHBondContact O-N 3.38Å; R137-K140 PolarHBondContact O-N 2.89Å
138	R	29.4	Very low	32	Very low	184 Å²	184	140.8 Å²	140.8	69%	0.694	69%	0.687	S	S	*	*	H	α-helix	trans	-70.3	-24.4	175.7	-82.2	-174.8	170.4	142.4	-0.1	113.3	I134 L135 K140	I134-R138 PolarHBondContact O-N 2.92Å; L135-R138 PolarHBondContact O-N 3.13Å; R138-K140 VanDerWaalsContact C-N 3.32Å; R138-K140 PolarHBondContact O-N 2.94Å
139	K	37.2	Very low	31.8	Very low	157 Å²	157	140.7 Å²	140.7	68%	0.683	69%	0.686	S	S	*	*	H	α-helix	trans	-71.5	-21.8	175.1	-75.6	-175.1	177.7	176.5	0	114	L135 E136 R137	L135-K139 PolarHBondContact O-N 3.07Å; E136-K139 PolarHBondContact O-N 3.42Å; R137-K139 VanDerWaalsContact C-N 3.31Å; R137-K139 PolarHBondContact O-N 3.38Å
140	K	35	Very low	31.7	Very low	189 Å²	189	137 Å²	137	82%	0.822	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-2.4	-177.9	-75.3	-169.6	177	-176.9	0	115.9	R137 R138	R137-K140 PolarHBondContact O-N 2.89Å; R138-K140 VanDerWaalsContact C-N 3.32Å; R138-K140 PolarHBondContact O-N 2.94Å
141	R	28.4	Very low	31.4	Very low	225 Å²	225	137.7 Å²	137.7	85%	0.849	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	10	177.1	-70.1	-161.5	-156.9	175	5.7	114.9	S143	R141-S143 PolarHBondContact O-N 3.08Å
142	Y	26.2	Very low	31.1	Very low	194 Å²	194	144.9 Å²	144.9	76%	0.761	69%	0.691	S	S	*	*	S	Bend	trans	-80.7	102.1	161.9	-69.8	-78.7	0	0	0	107.5	I144	Y142-I144 PolarHBondContact O-N 3.43Å; Y142-I144 VanDerWaalsContact O-N 3.15Å
143	S	26.2	Very low	30.9	Very low	106 Å²	106	146.7 Å²	146.7	74%	0.741	70%	0.695	S	S	*	*			trans	-41.9	123.1	155	-62.2	0	0	0	0	107.1	R141 I145	R141-S143 PolarHBondContact O-N 3.08Å; S143-I145 PolarHBondContact O-N 2.91Å
144	I	28.3	Very low	30.5	Very low	159 Å²	159	151.2 Å²	151.2	82%	0.815	71%	0.714	S	S	*	*			trans	-59.9	87.2	179.4	-60.1	162.3	0	0	0	106.7	Y142 P146	Y142-I144 PolarHBondContact O-N 3.43Å; Y142-I144 VanDerWaalsContact O-N 3.15Å; I144-P146 WeakPolarHBondContact O-CD 3.36Å
145	I	25.8	Very low	30.3	Very low	146 Å²	146	149.4 Å²	149.4	75%	0.749	72%	0.717	S	S	*	*			trans	-75.6	112	152.1	-59.6	175	0	0	0	102.2	S143 S147	S143-I145 PolarHBondContact O-N 2.91Å; I145-S147 PolarHBondContact O-N 2.94Å
146	P	25	Very low	30.4	Very low	83 Å²	83	151.1 Å²	151.1	54%	0.539	73%	0.727	S	S	.	*			trans	-56.7	112.2	178.3	-16.9	28.9	0	0	0	107.4	I144 E148	I144-P146 WeakPolarHBondContact O-CD 3.36Å; P146-E148 PolarHBondContact O-N 2.96Å
147	S	27.5	Very low	30.5	Very low	114 Å²	114	151.4 Å²	151.4	80%	0.797	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	19.3	174.8	49.1	0	0	0	0	112.6	I145	I145-S147 PolarHBondContact O-N 2.94Å
148	E	25.7	Very low	31.1	Very low	168 Å²	168	149 Å²	149	79%	0.785	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	23.5	-175.4	-73	-173.8	165.5	0	0	113.4	P146 I150	P146-E148 PolarHBondContact O-N 2.96Å; E148-I150 PolarHBondContact O-N 2.89Å; E148-I150 VanDerWaalsContact O-N 3.11Å
149	I	27.9	Very low	32.1	Very low	133 Å²	133	147 Å²	147	68%	0.682	72%	0.722	S	S	*	*			trans	-83.8	56.4	148.6	-47.6	-178.9	0	0	0	107.6	I151	I149-I151 HydrophobicContact CG2-CD1 4.31Å; I149-I151 HydrophobicContact CG2-CG1 3.61Å; I149-I151 PolarHBondContact O-N 2.7Å
150	I	27.3	Very low	32.5	Very low	127 Å²	127	144.3 Å²	144.3	65%	0.651	71%	0.713	S	S	*	*			trans	-68.9	90.1	151.3	-62.2	172.9	0	0	0	103.1	E148 R152	E148-I150 PolarHBondContact O-N 2.89Å; E148-I150 VanDerWaalsContact O-N 3.11Å; I150-R152 HydrophobicContact CG2-CG 4.33Å; I150-R152 PolarHBondContact O-N 3.12Å
151	I	28.3	Very low	33.3	Very low	114 Å²	114	140 Å²	140	59%	0.585	71%	0.705	S	S	*	*			trans	-59.9	102.3	161.6	-51	-176.6	0	0	0	104.1	I149 N153	I149-I151 HydrophobicContact CG2-CD1 4.31Å; I149-I151 HydrophobicContact CG2-CG1 3.61Å; I149-I151 PolarHBondContact O-N 2.7Å; I151-N153 HydrophobicContact CG2-CB 3.85Å; I151-N153 WeakPolarHBondContact CG2-OD1 3.45Å; I151-N153 PolarHBondContact O-N 3.07Å
152	R	27.2	Very low	34.4	Very low	229 Å²	229	134 Å²	134	86%	0.864	69%	0.685	S	S	*	*			trans	-66.4	72.7	165.9	-66.5	-177.2	-177.4	-177.5	1.1	106.9	I150	I150-R152 HydrophobicContact CG2-CG 4.33Å; I150-R152 PolarHBondContact O-N 3.12Å
153	N	33	Very low	36.2	Very low	128 Å²	128	130 Å²	130	68%	0.684	67%	0.671	S	S	*	*			trans	-96.7	97.3	173	-96.7	7.7	0	0	0	107.7	I151 G155	I151-N153 HydrophobicContact CG2-CB 3.85Å; I151-N153 WeakPolarHBondContact CG2-OD1 3.45Å; I151-N153 PolarHBondContact O-N 3.07Å; N153-G155 PolarHBondContact O-N 3.09Å
154	E	33.1	Very low	37.9	Very low	204 Å²	204	128.4 Å²	128.4	95%	0.953	65%	0.652	S	S	*	*			trans	-66.3	32.6	160.9	-63.1	-178.3	157.3	0	0	111.7
155	G	36.5	Very low	39.6	Very low	50 Å²	50	126.4 Å²	126.4	52%	0.515	64%	0.642	S	S	.	*	S	Bend	trans	-119	127.5	-178.3	0	0	0	0	0	110.6	N153 D157	N153-G155 PolarHBondContact O-N 3.09Å; G155-D157 PolarHBondContact O-N 3.33Å
156	N	37.6	Very low	41.1	Very low	153 Å²	153	122.4 Å²	122.4	82%	0.818	62%	0.622	S	S	*	*	S	Bend	trans	-65.2	15.9	-162.7	-83.2	-36.8	0	0	0	118.8
157	D	41.9	Very low	42.7	Very low	125 Å²	125	125.4 Å²	125.4	67%	0.668	64%	0.641	S	S	*	*			trans	-117.8	82.2	-164.2	-57.5	-27.9	0	0	0	112.3	G155 W159	G155-D157 PolarHBondContact O-N 3.33Å; D157-W159 VanDerWaalsContact O-CD1 3.24Å
158	Q	44.8	Very low	44	Very low	142 Å²	142	125.5 Å²	125.5	66%	0.664	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-88	117.3	172.7	-152.5	175.2	20.8	0	0	109.5	I178	Q158-I178 HydrophobicContact CB-CD1 4.11Å; Q158-I178 HydrophobicContact CG-CD1 4.03Å; Q158-I178 WeakPolarHBondContact O-CB 3.4Å; Q158-I178 VanDerWaalsContact O-CG1 3.31Å; Q158-I178 WeakPolarHBondContact O-CG1 3.48Å; Q158-I178 PolarHBondContact O-N 2.82Å
159	W	50.4	Low	45.1	Very low	140 Å²	140	120 Å²	120	53%	0.53	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.9	135.3	-179.3	-63.1	86.5	0	0	0	110.4	D157 P177	D157-W159 VanDerWaalsContact O-CD1 3.24Å; W159-P177 HydrophobicContact CE3-CB 4.05Å; W159-P177 HydrophobicContact CH2-CB 4.06Å; W159-P177 HydrophobicContact CH2-CG 4.46Å; W159-P177 HydrophobicContact CZ3-CB 3.73Å; W159-P177 HydrophobicContact CZ3-CG 4.01Å
160	M	45.6	Very low	45.9	Very low	101 Å²	101	115.4 Å²	115.4	50%	0.498	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.7	120.6	173.7	-167.6	175.3	66	0	0	109.7	K162 T176 I178	M160-K162 PolarHBondContact O-N 3.38Å; M160-T176 PolarHBondContact N-O 2.96Å; M160-T176 VanDerWaalsContact N-O 3.11Å; M160-T176 PolarHBondContact O-N 3.34Å; M160-T176 VanDerWaalsContact O-N 3.15Å; M160-I178 HydrophobicContact CB-CD1 4.15Å; M160-I178 HydrophobicContact CB-CG1 3.95Å
161	P	52.5	Low	47.2	Very low	100 Å²	100	114.6 Å²	114.6	65%	0.649	59%	0.594	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-69	128.8	170.9	26.2	-29.8	0	0	0	109.5
162	K	52.3	Low	48.6	Very low	98 Å²	98	111.5 Å²	111.5	43%	0.426	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.6	131.6	176.6	-171.3	-177.5	174.5	-158.2	0	109.3	M160 E164 T174	M160-K162 PolarHBondContact O-N 3.38Å; K162-E164 HydrophobicContact CD-CG 4.13Å; K162-E164 WeakPolarHBondContact CD-OE1 3.23Å; K162-E164 WeakPolarHBondContact CE-OE1 3.45Å; K162-E164 HydrophobicContact CG-CG 4.13Å; K162-E164 IonicContact NZ-OE1 3.74Å; K162-E164 PolarHBondContact NZ-OE1 2.93Å; K162-T174 PolarHBondContact N-O 2.96Å; K162-T174 PolarHBondContact O-N 2.94Å; K162-T174 PolarHBondContact O-OG1 3.42Å
163	K	64.4	Low	49.9	Very low	110 Å²	110	107.7 Å²	107.7	48%	0.478	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.5	121	173.3	-175.9	178.2	174.5	175.8	0	108.4	E171 F173	K163-E171 WeakPolarHBondContact CE-OE1 3.39Å; K163-E171 WeakPolarHBondContact CE-OE2 3.34Å; K163-E171 IonicContact NZ-OE1 3.68Å; K163-E171 PolarHBondContact NZ-OE1 3.47Å; K163-E171 IonicContact NZ-OE2 2.72Å; K163-E171 PolarHBondContact NZ-OE2 3.32Å; K163-F173 HydrophobicContact CB-CD1 4.31Å; K163-F173 HydrophobicContact CB-CE1 4.11Å; K163-F173 HydrophobicContact CD-CE1 4.29Å; K163-F173 HydrophobicContact CD-CZ 4.32Å; K163-F173 HydrophobicContact CG-CE1 4.19Å; K163-F173 HydrophobicContact CG-CZ 4.43Å
164	E	60.6	Low	50.9	Low	72 Å²	72	103.8 Å²	103.8	34%	0.336	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.8	148.8	177	-60.3	-166.1	158.1	0	0	109.6	K162 E171 V172	K162-E164 HydrophobicContact CD-CG 4.13Å; K162-E164 WeakPolarHBondContact CD-OE1 3.23Å; K162-E164 WeakPolarHBondContact CE-OE1 3.45Å; K162-E164 HydrophobicContact CG-CG 4.13Å; K162-E164 IonicContact NZ-OE1 3.74Å; K162-E164 PolarHBondContact NZ-OE1 2.93Å; E164-E171 WeakPolarHBondContact O-CA 3.39Å; E164-V172 PolarHBondContact N-O 3.47Å; E164-V172 PolarHBondContact O-N 3.45Å
165	I	63.8	Low	51.5	Low	117 Å²	117	98.4 Å²	98.4	60%	0.6	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	120.8	176.1	-58.1	171.8	0	0	0	106.2	S170	I165-S170 CarbonylContact C-O 3.12Å; I165-S170 WeakPolarHBondContact CA-O 3.35Å
166	N	58.8	Low	52.1	Low	63 Å²	63	98.7 Å²	98.7	34%	0.337	52%	0.524	S	S	.	.			trans	-66.1	160.9	174.6	-74.5	-24.5	0	0	0	110.7	D168 G169 S170 V172	N166-D168 WeakPolarHBondContact CB-OD1 3.36Å; N166-D168 PolarHBondContact O-N 2.91Å; N166-G169 PolarHBondContact O-N 2.79Å; N166-S170 WeakPolarHBondContact CB-OG 3.42Å; N166-S170 PolarHBondContact N-O 2.97Å; N166-S170 PolarHBondContact ND2-OG 2.98Å; N166-V172 VanDerWaalsContact ND2-CG2 3.25Å; N166-V172 WeakPolarHBondContact ND2-CG2 3.49Å
167	P	57.7	Low	52.4	Low	145 Å²	145	94.9 Å²	94.9	94%	0.942	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-21.4	176.7	-24.1	33.5	0	0	0	114.7	G169	P167-G169 VanDerWaalsContact C-N 3.3Å
168	D	54.3	Low	52.6	Low	116 Å²	116	92.6 Å²	92.6	62%	0.62	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	1.1	176.1	67.2	-1.5	0	0	0	113.7	N166 S170	N166-D168 WeakPolarHBondContact CB-OD1 3.36Å; N166-D168 PolarHBondContact O-N 2.91Å; D168-S170 VanDerWaalsContact OD1-CB 3.31Å; D168-S170 WeakPolarHBondContact OD1-CB 3.18Å; D168-S170 PolarHBondContact OD1-N 3.46Å; D168-S170 PolarHBondContact OD1-OG 3.37Å; D168-S170 PolarHBondContact OD2-OG 2.65Å
169	G	48.4	Very low	52.6	Low	53 Å²	53	91.1 Å²	91.1	55%	0.546	50%	0.496	S	S	.	.	S	Bend	trans	86.1	-0.8	-178.8	0	0	0	0	0	115	N166 P167	N166-G169 PolarHBondContact O-N 2.79Å; P167-G169 VanDerWaalsContact C-N 3.3Å
170	S	46.4	Very low	52.4	Low	36 Å²	36	92.4 Å²	92.4	25%	0.252	51%	0.505	S	S	.	.			trans	-75.2	140.5	177.3	63.7	0	0	0	0	112.5	I165 N166 D168	I165-S170 CarbonylContact C-O 3.12Å; I165-S170 WeakPolarHBondContact CA-O 3.35Å; N166-S170 WeakPolarHBondContact CB-OG 3.42Å; N166-S170 PolarHBondContact N-O 2.97Å; N166-S170 PolarHBondContact ND2-OG 2.98Å; D168-S170 VanDerWaalsContact OD1-CB 3.31Å; D168-S170 WeakPolarHBondContact OD1-CB 3.18Å; D168-S170 PolarHBondContact OD1-N 3.46Å; D168-S170 PolarHBondContact OD1-OG 3.37Å; D168-S170 PolarHBondContact OD2-OG 2.65Å
171	E	54.4	Low	52.6	Low	110 Å²	110	92.3 Å²	92.3	51%	0.514	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.7	178	-55.6	-173.9	152	0	0	110.9	K163 E164	K163-E171 WeakPolarHBondContact CE-OE1 3.39Å; K163-E171 WeakPolarHBondContact CE-OE2 3.34Å; K163-E171 IonicContact NZ-OE1 3.68Å; K163-E171 PolarHBondContact NZ-OE1 3.47Å; K163-E171 IonicContact NZ-OE2 2.72Å; K163-E171 PolarHBondContact NZ-OE2 3.32Å; E164-E171 WeakPolarHBondContact O-CA 3.39Å
172	V	56.3	Low	52.7	Low	50 Å²	50	91.4 Å²	91.4	30%	0.303	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.9	175.1	-175.2	0	0	0	0	109.8	E164 N166 T174	E164-V172 PolarHBondContact N-O 3.47Å; E164-V172 PolarHBondContact O-N 3.45Å; N166-V172 VanDerWaalsContact ND2-CG2 3.25Å; N166-V172 WeakPolarHBondContact ND2-CG2 3.49Å; V172-T174 HydrophobicContact CG1-CG2 4.08Å
173	F	55.2	Low	53	Low	149 Å²	149	95.8 Å²	95.8	65%	0.654	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	112.9	170.1	-66.8	-88.6	0	0	0	108.6	K163	K163-F173 HydrophobicContact CB-CD1 4.31Å; K163-F173 HydrophobicContact CB-CE1 4.11Å; K163-F173 HydrophobicContact CD-CE1 4.29Å; K163-F173 HydrophobicContact CD-CZ 4.32Å; K163-F173 HydrophobicContact CG-CE1 4.19Å; K163-F173 HydrophobicContact CG-CZ 4.43Å
174	T	54.5	Low	52.9	Low	46 Å²	46	93.9 Å²	93.9	28%	0.282	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	146.3	174.2	61.5	0	0	0	0	109.2	K162 V172	K162-T174 PolarHBondContact N-O 2.96Å; K162-T174 PolarHBondContact O-N 2.94Å; K162-T174 PolarHBondContact O-OG1 3.42Å; V172-T174 HydrophobicContact CG1-CG2 4.08Å
175	T	45	Very low	53.1	Low	91 Å²	91	95.4 Å²	95.4	56%	0.558	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	119.5	169.7	51.3	0	0	0	0	108.2
176	T	49.6	Very low	53.3	Low	55 Å²	55	92.3 Å²	92.3	34%	0.337	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	134.9	169.7	42.7	0	0	0	0	109.1	M160 I178	M160-T176 PolarHBondContact N-O 2.96Å; M160-T176 VanDerWaalsContact N-O 3.11Å; M160-T176 PolarHBondContact O-N 3.34Å; M160-T176 VanDerWaalsContact O-N 3.15Å; T176-I178 PolarHBondContact O-N 2.86Å
177	P	43.7	Very low	53.7	Low	73 Å²	73	90.1 Å²	90.1	47%	0.474	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	133.9	173.4	25.6	-28.4	0	0	0	108.2	W159 V179	W159-P177 HydrophobicContact CE3-CB 4.05Å; W159-P177 HydrophobicContact CH2-CB 4.06Å; W159-P177 HydrophobicContact CH2-CG 4.46Å; W159-P177 HydrophobicContact CZ3-CB 3.73Å; W159-P177 HydrophobicContact CZ3-CG 4.01Å; P177-V179 VanDerWaalsContact C-N 3.27Å; P177-V179 PolarHBondContact O-N 3.45Å
178	I	45.5	Very low	54.3	Low	77 Å²	77	85.2 Å²	85.2	40%	0.395	47%	0.465	S	S	.	.			trans	-72.6	90.3	173.5	-59	174.2	0	0	0	107	Q158 M160 T176 K180	Q158-I178 HydrophobicContact CB-CD1 4.11Å; Q158-I178 HydrophobicContact CG-CD1 4.03Å; Q158-I178 WeakPolarHBondContact O-CB 3.4Å; Q158-I178 VanDerWaalsContact O-CG1 3.31Å; Q158-I178 WeakPolarHBondContact O-CG1 3.48Å; Q158-I178 PolarHBondContact O-N 2.82Å; M160-I178 HydrophobicContact CB-CD1 4.15Å; M160-I178 HydrophobicContact CB-CG1 3.95Å; T176-I178 PolarHBondContact O-N 2.86Å; I178-K180 PolarHBondContact O-N 2.88Å
179	V	45.8	Very low	55.2	Low	112 Å²	112	85.6 Å²	85.6	68%	0.679	46%	0.463	S	S	*	.			trans	-62.6	105.1	168.4	-177.3	0	0	0	0	106.3	P177 T181	P177-V179 VanDerWaalsContact C-N 3.27Å; P177-V179 PolarHBondContact O-N 3.45Å; V179-T181 HydrophobicContact CG1-CG2 4.31Å; V179-T181 PolarHBondContact O-N 3.36Å
180	K	45	Very low	56.4	Low	167 Å²	167	87.5 Å²	87.5	73%	0.726	46%	0.461	S	S	*	.			trans	-68.8	79.4	171	-71.8	-177.9	-178.7	171.8	0	107.7	I178	I178-K180 PolarHBondContact O-N 2.88Å
181	T	50.6	Low	57.9	Low	99 Å²	99	88.4 Å²	88.4	61%	0.607	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-56.8	127.2	162.8	50.1	0	0	0	0	106.7	V179 R183	V179-T181 HydrophobicContact CG1-CG2 4.31Å; V179-T181 PolarHBondContact O-N 3.36Å; T181-R183 PolarHBondContact O-N 3.34Å; T181-R183 VanDerWaalsContact O-N 3.11Å
182	P	54.5	Low	59	Low	81 Å²	81	85.9 Å²	85.9	53%	0.526	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-52.3	124.5	-179.9	19.9	-30.3	0	0	0	107.8	L216	P182-L216 WeakPolarHBondContact O-CD1 3.43Å
183	R	58.5	Low	60.1	Low	190 Å²	190	87 Å²	87	72%	0.717	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-67.2	145	-179	-68	-179.3	178.8	168	-0.8	107.6	T181 N185 S186 V187	T181-R183 PolarHBondContact O-N 3.34Å; T181-R183 VanDerWaalsContact O-N 3.11Å; R183-N185 PolarHBondContact O-N 3.15Å; R183-S186 WeakPolarHBondContact O-CA 3.42Å; R183-S186 VanDerWaalsContact O-CB 3.24Å; R183-S186 WeakPolarHBondContact O-CB 3.25Å; R183-S186 PolarHBondContact O-N 3.39Å; R183-V187 PolarHBondContact O-N 2.85Å
184	Y	62.4	Low	61.2	Low	69 Å²	69	81 Å²	81	27%	0.271	44%	0.437	S	S	.	.	H	α-helix	trans	-43.2	-42.8	169.7	-173.3	-100.3	0	0	0	111.8	S186 V187 C188 R213 L216 L217	Y184-S186 VanDerWaalsContact C-N 3.32Å; Y184-S186 PolarHBondContact O-N 2.82Å; Y184-V187 WeakPolarHBondContact O-CB 3.41Å; Y184-V187 PolarHBondContact O-N 3.24Å; Y184-V187 VanDerWaalsContact O-N 3.11Å; Y184-C188 VanDerWaalsContact CE1-SG 3.58Å; Y184-C188 PolarHBondContact O-N 3.36Å; Y184-C188 PolarHBondContact O-SG 3.18Å; Y184-R213 HydrophobicContact CD2-CG 4.24Å; Y184-R213 HydrophobicContact CE2-CG 3.41Å; Y184-R213 VanDerWaalsContact CE2-CG 3.41Å; Y184-R213 VanDerWaalsContact OH-CZ 3.29Å; Y184-R213 PolarHBondContact OH-NE 3.35Å; Y184-R213 PolarHBondContact OH-NH2 2.73Å; Y184-L216 HydrophobicContact CD2-CD2 3.8Å; Y184-L216 HydrophobicContact CG-CD2 4.07Å; Y184-L217 HydrophobicContact CD2-CD2 4.4Å; Y184-L217 HydrophobicContact CD2-CG 4.48Å; Y184-L217 HydrophobicContact CE2-CD1 4.25Å; Y184-L217 HydrophobicContact CE2-CD2 3.94Å; Y184-L217 HydrophobicContact CE2-CG 3.95Å
185	N	64.3	Low	62.3	Low	104 Å²	104	82.1 Å²	82.1	56%	0.556	45%	0.446	S	S	*	.	H	α-helix	trans	-63.2	-35.4	178.2	-63.5	-6.3	0	0	0	112.8	R183 V187 C188 E189	R183-N185 PolarHBondContact O-N 3.15Å; N185-V187 VanDerWaalsContact C-N 3.3Å; N185-C188 PolarHBondContact O-N 3.24Å; N185-E189 WeakPolarHBondContact O-CB 3.26Å; N185-E189 VanDerWaalsContact O-CG 3.27Å; N185-E189 WeakPolarHBondContact O-CG 3.45Å; N185-E189 PolarHBondContact O-N 3.01Å
186	S	68.8	Low	63.9	Low	52 Å²	52	84.7 Å²	84.7	36%	0.364	45%	0.452	S	S	.	.	H	α-helix	trans	-66.5	-33.7	174.8	-53.9	0	0	0	0	111.6	R183 Y184 L190	R183-S186 WeakPolarHBondContact O-CA 3.42Å; R183-S186 VanDerWaalsContact O-CB 3.24Å; R183-S186 WeakPolarHBondContact O-CB 3.25Å; R183-S186 PolarHBondContact O-N 3.39Å; Y184-S186 VanDerWaalsContact C-N 3.32Å; Y184-S186 PolarHBondContact O-N 2.82Å; S186-L190 VanDerWaalsContact O-CB 3.29Å; S186-L190 WeakPolarHBondContact O-CB 3.33Å; S186-L190 PolarHBondContact O-N 3.44Å
187	V	67.3	Low	65.5	Low	17 Å²	17	86.4 Å²	86.4	10%	0.103	46%	0.459	C	S	.	.	H	α-helix	trans	-69.2	-43.2	173.1	-175.4	0	0	0	0	110.4	R183 Y184 N185 L190 E191 L209	R183-V187 PolarHBondContact O-N 2.85Å; Y184-V187 WeakPolarHBondContact O-CB 3.41Å; Y184-V187 PolarHBondContact O-N 3.24Å; Y184-V187 VanDerWaalsContact O-N 3.11Å; N185-V187 VanDerWaalsContact C-N 3.3Å; V187-L190 WeakPolarHBondContact O-CB 3.08Å; V187-L190 PolarHBondContact O-N 3.48Å; V187-E191 PolarHBondContact O-N 3.02Å; V187-L209 HydrophobicContact CG1-CD2 4.08Å
188	C	69.6	Low	67.4	Low	42 Å²	42	89.1 Å²	89.1	28%	0.284	46%	0.46	S	S	.	.	H	α-helix	trans	-64.1	-38.9	174.3	-63.8	0	0	0	0	112.7	Y184 N185 E191 S192	Y184-C188 VanDerWaalsContact CE1-SG 3.58Å; Y184-C188 PolarHBondContact O-N 3.36Å; Y184-C188 PolarHBondContact O-SG 3.18Å; N185-C188 PolarHBondContact O-N 3.24Å; C188-E191 PolarHBondContact O-N 3.27Å; C188-S192 WeakPolarHBondContact O-CB 3.47Å; C188-S192 PolarHBondContact O-N 3.06Å
189	E	73.3	Confident	68.9	Low	125 Å²	125	89.2 Å²	89.2	58%	0.584	47%	0.466	S	S	*	.	H	α-helix	trans	-64.3	-43.4	174.1	-78.8	170	-170.4	0	0	110.6	N185 S192 V193	N185-E189 WeakPolarHBondContact O-CB 3.26Å; N185-E189 VanDerWaalsContact O-CG 3.27Å; N185-E189 WeakPolarHBondContact O-CG 3.45Å; N185-E189 PolarHBondContact O-N 3.01Å; E189-S192 WeakPolarHBondContact O-CB 3.3Å; E189-S192 PolarHBondContact O-N 3.04Å; E189-V193 WeakPolarHBondContact O-CB 3.42Å; E189-V193 VanDerWaalsContact O-CG2 3.24Å; E189-V193 WeakPolarHBondContact O-CG2 3.48Å; E189-V193 PolarHBondContact O-N 3.3Å
190	L	73.6	Confident	70.5	Confident	93 Å²	93	90.5 Å²	90.5	49%	0.487	47%	0.465	S	S	.	.	H	α-helix	trans	-61.1	-44.7	175.7	-175.5	69.9	0	0	0	111.4	S186 V187 S192 V193 I194 L209	S186-L190 VanDerWaalsContact O-CB 3.29Å; S186-L190 WeakPolarHBondContact O-CB 3.33Å; S186-L190 PolarHBondContact O-N 3.44Å; V187-L190 WeakPolarHBondContact O-CB 3.08Å; V187-L190 PolarHBondContact O-N 3.48Å; L190-S192 VanDerWaalsContact C-N 3.35Å; L190-S192 PolarHBondContact O-N 3.1Å; L190-V193 PolarHBondContact O-N 3.28Å; L190-I194 HydrophobicContact CD1-CD1 4.25Å; L190-I194 HydrophobicContact CG-CD1 3.88Å; L190-I194 WeakPolarHBondContact O-CB 3.46Å; L190-I194 VanDerWaalsContact O-CG1 3.24Å; L190-I194 WeakPolarHBondContact O-CG1 3.36Å; L190-I194 PolarHBondContact O-N 3.4Å; L190-L209 HydrophobicContact CD2-CD2 3.96Å
191	E	77.1	Confident	72.1	Confident	55 Å²	55	86 Å²	86	26%	0.257	45%	0.448	S	S	.	.	H	α-helix	trans	-60.7	-43.6	175.6	-171.2	178.2	-173	0	0	111.5	V187 C188 I194 S195 L202 L209 R213	V187-E191 PolarHBondContact O-N 3.02Å; C188-E191 PolarHBondContact O-N 3.27Å; E191-I194 PolarHBondContact O-N 3.37Å; E191-S195 VanDerWaalsContact O-CB 3.28Å; E191-S195 WeakPolarHBondContact O-CB 3.46Å; E191-S195 PolarHBondContact O-N 3.04Å; E191-L202 HydrophobicContact CG-CD1 4.37Å; E191-L209 HydrophobicContact CB-CD1 4.18Å; E191-L209 HydrophobicContact CG-CD1 4.17Å; E191-R213 IonicContact OE2-NH1 3.89Å
192	S	78.3	Confident	73.3	Confident	56 Å²	56	83.4 Å²	83.4	39%	0.392	43%	0.431	S	S	.	.	H	α-helix	trans	-61.8	-45.5	175.4	-175.5	0	0	0	0	112.1	C188 E189 L190 S195 Q196	C188-S192 WeakPolarHBondContact O-CB 3.47Å; C188-S192 PolarHBondContact O-N 3.06Å; E189-S192 WeakPolarHBondContact O-CB 3.3Å; E189-S192 PolarHBondContact O-N 3.04Å; L190-S192 VanDerWaalsContact C-N 3.35Å; L190-S192 PolarHBondContact O-N 3.1Å; S192-S195 PolarHBondContact O-N 3.46Å; S192-Q196 WeakPolarHBondContact O-CB 3.29Å; S192-Q196 VanDerWaalsContact O-CG 3.3Å; S192-Q196 WeakPolarHBondContact O-CG 3.3Å; S192-Q196 PolarHBondContact O-N 2.94Å
193	V	79.6	Confident	74.5	Confident	73 Å²	73	84.3 Å²	84.3	44%	0.442	44%	0.439	S	S	.	.	H	α-helix	trans	-65.9	-41	179.4	169.9	0	0	0	0	111.6	E189 L190 Q196 N197	E189-V193 WeakPolarHBondContact O-CB 3.42Å; E189-V193 VanDerWaalsContact O-CG2 3.24Å; E189-V193 WeakPolarHBondContact O-CG2 3.48Å; E189-V193 PolarHBondContact O-N 3.3Å; L190-V193 PolarHBondContact O-N 3.28Å; V193-Q196 PolarHBondContact O-N 3.2Å; V193-N197 WeakPolarHBondContact O-CB 3.49Å; V193-N197 PolarHBondContact O-N 3.44Å; V193-N197 PolarHBondContact O-ND2 2.83Å
194	I	78.4	Confident	75.4	Confident	25 Å²	25	79.3 Å²	79.3	13%	0.128	43%	0.431	C	S	.	.	H	α-helix	trans	-65.2	-45.1	174.9	-68.1	167.5	0	0	0	109.8	L190 E191 Q196 N197 Y198 L201 L202 L209	L190-I194 HydrophobicContact CD1-CD1 4.25Å; L190-I194 HydrophobicContact CG-CD1 3.88Å; L190-I194 WeakPolarHBondContact O-CB 3.46Å; L190-I194 VanDerWaalsContact O-CG1 3.24Å; L190-I194 WeakPolarHBondContact O-CG1 3.36Å; L190-I194 PolarHBondContact O-N 3.4Å; E191-I194 PolarHBondContact O-N 3.37Å; I194-Q196 VanDerWaalsContact C-N 3.26Å; I194-Q196 PolarHBondContact O-N 3.49Å; I194-N197 PolarHBondContact O-N 2.94Å; I194-Y198 CarbonylContact O-C 3.55Å; I194-Y198 WeakPolarHBondContact O-CA 3.32Å; I194-Y198 PolarHBondContact O-N 3.29Å; I194-L201 HydrophobicContact CG2-CB 4.19Å; I194-L202 HydrophobicContact CG2-CB 4.38Å; I194-L202 HydrophobicContact CG2-CD1 4.11Å; I194-L209 HydrophobicContact CD1-CD1 4.42Å
195	S	78.1	Confident	76.3	Confident	68 Å²	68	80.9 Å²	80.9	48%	0.476	44%	0.439	S	S	.	.	H	α-helix	trans	-62.9	-31.3	178.6	-174.2	0	0	0	0	113.2	E191 S192	E191-S195 VanDerWaalsContact O-CB 3.28Å; E191-S195 WeakPolarHBondContact O-CB 3.46Å; E191-S195 PolarHBondContact O-N 3.04Å; S192-S195 PolarHBondContact O-N 3.46Å
196	Q	78.6	Confident	77.1	Confident	145 Å²	145	81.4 Å²	81.4	68%	0.678	44%	0.436	S	S	*	.	H	α-helix	trans	-82.6	-40.8	179.8	-74.8	177.2	6.7	0	0	113.1	S192 V193 I194	S192-Q196 WeakPolarHBondContact O-CB 3.29Å; S192-Q196 VanDerWaalsContact O-CG 3.3Å; S192-Q196 WeakPolarHBondContact O-CG 3.3Å; S192-Q196 PolarHBondContact O-N 2.94Å; V193-Q196 PolarHBondContact O-N 3.2Å; I194-Q196 VanDerWaalsContact C-N 3.26Å; I194-Q196 PolarHBondContact O-N 3.49Å
197	N	83.4	Confident	77.9	Confident	92 Å²	92	84.4 Å²	84.4	49%	0.492	45%	0.447	S	S	.	.	H	α-helix	trans	-102.5	-28.6	-169.9	-61.5	-64.4	0	0	0	113.9	V193 I194	V193-N197 WeakPolarHBondContact O-CB 3.49Å; V193-N197 PolarHBondContact O-N 3.44Å; V193-N197 PolarHBondContact O-ND2 2.83Å; I194-N197 PolarHBondContact O-N 2.94Å
198	Y	82	Confident	78.6	Confident	129 Å²	129	86.8 Å²	86.8	51%	0.506	46%	0.462	S	S	.	.			trans	-145.5	66.3	-172	-53.5	-75.7	0	0	0	111.7	I194 E200 L201	I194-Y198 CarbonylContact O-C 3.55Å; I194-Y198 WeakPolarHBondContact O-CA 3.32Å; I194-Y198 PolarHBondContact O-N 3.29Å; Y198-E200 PolarHBondContact O-N 3.06Å; Y198-L201 HydrophobicContact CD1-CD1 4.48Å; Y198-L201 HydrophobicContact CD2-CD1 4.47Å; Y198-L201 HydrophobicContact CG-CD1 3.94Å; Y198-L201 WeakPolarHBondContact O-CB 3.47Å; Y198-L201 PolarHBondContact O-N 3.41Å
199	P	76.8	Confident	79.1	Confident	79 Å²	79	85.4 Å²	85.4	51%	0.513	45%	0.451	S	S	.	.	H	α-helix	trans	-60.1	-28.5	-175.9	24.9	-33.7	0	0	0	113	L201 L202	P199-L201 VanDerWaalsContact C-N 3.27Å; P199-L201 PolarHBondContact O-N 3.24Å; P199-L202 WeakPolarHBondContact O-CB 3.16Å; P199-L202 PolarHBondContact O-N 3.35Å
200	E	79.7	Confident	79.6	Confident	140 Å²	140	82.3 Å²	82.3	65%	0.654	44%	0.439	S	S	*	.	H	α-helix	trans	-61.5	-30.3	173.9	56.8	-93	-173.9	0	0	114.1	Y198 L202 P204	Y198-E200 PolarHBondContact O-N 3.06Å; E200-L202 VanDerWaalsContact C-N 3.28Å; E200-L202 PolarHBondContact O-N 3.44Å; E200-P204 WeakPolarHBondContact O-CD 3.35Å
201	L	79.1	Confident	80.1	Confident	73 Å²	73	82.5 Å²	82.5	38%	0.382	44%	0.44	S	S	.	.	H	α-helix	trans	-76.1	-17.8	178.9	-69	171.5	0	0	0	112.1	I194 Y198 P199 S203 P204 F205	I194-L201 HydrophobicContact CG2-CB 4.19Å; Y198-L201 HydrophobicContact CD1-CD1 4.48Å; Y198-L201 HydrophobicContact CD2-CD1 4.47Å; Y198-L201 HydrophobicContact CG-CD1 3.94Å; Y198-L201 WeakPolarHBondContact O-CB 3.47Å; Y198-L201 PolarHBondContact O-N 3.41Å; P199-L201 VanDerWaalsContact C-N 3.27Å; P199-L201 PolarHBondContact O-N 3.24Å; L201-S203 VanDerWaalsContact C-N 3.35Å; L201-S203 PolarHBondContact O-N 3.07Å; L201-P204 WeakPolarHBondContact O-CD 3.47Å; L201-F205 HydrophobicContact CB-CD2 4.2Å; L201-F205 HydrophobicContact CD2-CD2 4.45Å; L201-F205 HydrophobicContact CD2-CE2 4.03Å; L201-F205 VanDerWaalsContact O-CD2 3.28Å; L201-F205 WeakPolarHBondContact O-CD2 3.38Å; L201-F205 PolarHBondContact O-N 2.74Å
202	L	76	Confident	80.4	Confident	44 Å²	44	85 Å²	85	23%	0.23	45%	0.45	C	S	.	.	H	α-helix	trans	-64.3	-39.8	-175.8	-166.4	72.3	0	0	0	111.7	E191 I194 P199 E200 F205 K206	E191-L202 HydrophobicContact CG-CD1 4.37Å; I194-L202 HydrophobicContact CG2-CB 4.38Å; I194-L202 HydrophobicContact CG2-CD1 4.11Å; P199-L202 WeakPolarHBondContact O-CB 3.16Å; P199-L202 PolarHBondContact O-N 3.35Å; E200-L202 VanDerWaalsContact C-N 3.28Å; E200-L202 PolarHBondContact O-N 3.44Å; L202-F205 PolarHBondContact O-N 3.14Å; L202-K206 WeakPolarHBondContact O-CB 3.2Å; L202-K206 PolarHBondContact O-N 2.89Å
203	S	78.9	Confident	80.5	Confident	100 Å²	100	86 Å²	86	70%	0.699	45%	0.446	S	S	*	.	H	α-helix	trans	-61.2	-50.4	-177.5	161.2	0	0	0	0	112.9	L201	L201-S203 VanDerWaalsContact C-N 3.35Å; L201-S203 PolarHBondContact O-N 3.07Å
204	P	79.1	Confident	80.7	Confident	85 Å²	85	87 Å²	87	55%	0.552	45%	0.449	S	S	*	.	H	α-helix	trans	-64.3	-41.5	176.2	-24.8	33.2	0	0	0	114	E200 L201	E200-P204 WeakPolarHBondContact O-CD 3.35Å; L201-P204 WeakPolarHBondContact O-CD 3.47Å
205	F	80.3	Confident	81	Confident	101 Å²	101	91.1 Å²	91.1	44%	0.443	47%	0.468	S	S	.	.	H	α-helix	trans	-86.8	-12.1	-172.1	-74.1	-75.1	0	0	0	114.5	L201 L202 I207 V208 L209	L201-F205 HydrophobicContact CB-CD2 4.2Å; L201-F205 HydrophobicContact CD2-CD2 4.45Å; L201-F205 HydrophobicContact CD2-CE2 4.03Å; L201-F205 VanDerWaalsContact O-CD2 3.28Å; L201-F205 WeakPolarHBondContact O-CD2 3.38Å; L201-F205 PolarHBondContact O-N 2.74Å; L202-F205 PolarHBondContact O-N 3.14Å; F205-I207 VanDerWaalsContact C-N 3.27Å; F205-I207 PolarHBondContact O-N 3.02Å; F205-V208 PolarHBondContact O-N 3.22Å; F205-V208 VanDerWaalsContact O-N 3.15Å; F205-L209 WeakPolarHBondContact O-CG 3.04Å; F205-L209 PolarHBondContact O-N 3.24Å
206	K	82	Confident	81.1	Confident	115 Å²	115	89.5 Å²	89.5	50%	0.5	45%	0.453	S	S	.	.	H	α-helix	trans	-56.2	-38.3	-178.3	-176.1	171.1	-174.7	175.7	0	113.7	L202 N210	L202-K206 WeakPolarHBondContact O-CB 3.2Å; L202-K206 PolarHBondContact O-N 2.89Å; K206-N210 WeakPolarHBondContact O-CB 3.26Å; K206-N210 PolarHBondContact O-N 2.78Å
207	I	84.5	Confident	81.3	Confident	116 Å²	116	86.4 Å²	86.4	60%	0.595	44%	0.441	S	S	*	.	H	α-helix	trans	-64.4	-50.6	178.6	-61.7	173.3	0	0	0	109.4	F205 L209 N210 D211	F205-I207 VanDerWaalsContact C-N 3.27Å; F205-I207 PolarHBondContact O-N 3.02Å; I207-L209 PolarHBondContact O-N 3.22Å; I207-N210 PolarHBondContact O-N 3.16Å; I207-N210 VanDerWaalsContact O-N 3.15Å; I207-D211 PolarHBondContact O-N 3.44Å
208	V	83.3	Confident	81.4	Confident	67 Å²	67	87.4 Å²	87.4	41%	0.406	44%	0.443	S	S	.	.	H	α-helix	trans	-60.3	-43.5	179.9	179.2	0	0	0	0	111.7	F205 N210 D211 F212	F205-V208 PolarHBondContact O-N 3.22Å; F205-V208 VanDerWaalsContact O-N 3.15Å; V208-N210 PolarHBondContact O-N 3.16Å; V208-D211 PolarHBondContact O-N 3.42Å; V208-F212 HydrophobicContact CG1-CD2 3.68Å; V208-F212 HydrophobicContact CG1-CE2 3.46Å; V208-F212 VanDerWaalsContact CG1-CE2 3.46Å; V208-F212 WeakPolarHBondContact O-CD2 3.48Å; V208-F212 PolarHBondContact O-N 3.15Å
209	L	80	Confident	81.3	Confident	12 Å²	12	84.5 Å²	84.5	6%	0.063	44%	0.438	C	S	.	.	H	α-helix	trans	-63.3	-40.5	176.6	-70.2	174.6	0	0	0	112.1	V187 L190 E191 I194 F205 I207 R213	V187-L209 HydrophobicContact CG1-CD2 4.08Å; L190-L209 HydrophobicContact CD2-CD2 3.96Å; E191-L209 HydrophobicContact CB-CD1 4.18Å; E191-L209 HydrophobicContact CG-CD1 4.17Å; I194-L209 HydrophobicContact CD1-CD1 4.42Å; F205-L209 WeakPolarHBondContact O-CG 3.04Å; F205-L209 PolarHBondContact O-N 3.24Å; I207-L209 PolarHBondContact O-N 3.22Å; L209-R213 VanDerWaalsContact O-CB 3.31Å; L209-R213 WeakPolarHBondContact O-CB 3.23Å; L209-R213 PolarHBondContact O-N 2.96Å
210	N	83.3	Confident	81.6	Confident	60 Å²	60	87.1 Å²	87.1	32%	0.321	44%	0.442	S	S	.	.	H	α-helix	trans	-67.2	-40.3	176	-82.1	-20.3	0	0	0	112.2	K206 I207 V208 R213 N214	K206-N210 WeakPolarHBondContact O-CB 3.26Å; K206-N210 PolarHBondContact O-N 2.78Å; I207-N210 PolarHBondContact O-N 3.16Å; I207-N210 VanDerWaalsContact O-N 3.15Å; V208-N210 PolarHBondContact O-N 3.16Å; N210-R213 WeakPolarHBondContact O-CB 3.18Å; N210-R213 PolarHBondContact O-N 3.32Å; N210-N214 WeakPolarHBondContact O-CB 3.39Å; N210-N214 PolarHBondContact O-N 2.79Å; N210-N214 PolarHBondContact O-ND2 3.23Å
211	D	84.6	Confident	82	Confident	97 Å²	97	87 Å²	87	52%	0.519	44%	0.439	S	S	.	.	H	α-helix	trans	-62.2	-47.9	176.3	-68.5	-19.2	0	0	0	110.6	I207 V208 R213 N214 E215	I207-D211 PolarHBondContact O-N 3.44Å; V208-D211 PolarHBondContact O-N 3.42Å; D211-R213 VanDerWaalsContact C-N 3.29Å; D211-R213 PolarHBondContact O-N 3.42Å; D211-N214 PolarHBondContact O-N 2.9Å; D211-E215 WeakPolarHBondContact O-CB 3.35Å; D211-E215 PolarHBondContact O-N 3.33Å
212	F	81.8	Confident	82.3	Confident	107 Å²	107	88.3 Å²	88.3	47%	0.469	44%	0.443	S	S	.	.	H	α-helix	trans	-59.4	-39.2	173.8	-82.6	-59.3	0	0	0	112.6	V208 L216	V208-F212 HydrophobicContact CG1-CD2 3.68Å; V208-F212 HydrophobicContact CG1-CE2 3.46Å; V208-F212 VanDerWaalsContact CG1-CE2 3.46Å; V208-F212 WeakPolarHBondContact O-CD2 3.48Å; V208-F212 PolarHBondContact O-N 3.15Å; F212-L216 WeakPolarHBondContact O-CB 3.38Å; F212-L216 PolarHBondContact O-N 3.13Å
213	R	81.5	Confident	82.7	Confident	77 Å²	77	92.2 Å²	92.2	29%	0.291	46%	0.458	S	S	.	.	H	α-helix	trans	-64	-43.6	177.4	-167.9	-178.4	-169.2	153	1.9	111.3	Y184 E191 L209 N210 D211 L216 L217	Y184-R213 HydrophobicContact CD2-CG 4.24Å; Y184-R213 HydrophobicContact CE2-CG 3.41Å; Y184-R213 VanDerWaalsContact CE2-CG 3.41Å; Y184-R213 VanDerWaalsContact OH-CZ 3.29Å; Y184-R213 PolarHBondContact OH-NE 3.35Å; Y184-R213 PolarHBondContact OH-NH2 2.73Å; E191-R213 IonicContact OE2-NH1 3.89Å; L209-R213 VanDerWaalsContact O-CB 3.31Å; L209-R213 WeakPolarHBondContact O-CB 3.23Å; L209-R213 PolarHBondContact O-N 2.96Å; N210-R213 WeakPolarHBondContact O-CB 3.18Å; N210-R213 PolarHBondContact O-N 3.32Å; D211-R213 VanDerWaalsContact C-N 3.29Å; D211-R213 PolarHBondContact O-N 3.42Å; R213-L216 PolarHBondContact O-N 3.42Å; R213-L217 HydrophobicContact CG-CD1 4.4Å; R213-L217 WeakPolarHBondContact O-CB 3.45Å; R213-L217 VanDerWaalsContact O-CG 3.24Å; R213-L217 WeakPolarHBondContact O-CG 3.39Å; R213-L217 PolarHBondContact O-N 3Å
214	N	84.1	Confident	83	Confident	94 Å²	94	91.6 Å²	91.6	50%	0.503	45%	0.446	S	S	.	.	H	α-helix	trans	-67.2	-45.7	178.8	-69.3	-26.6	0	0	0	111.3	N210 D211 L216 L217 Q218	N210-N214 WeakPolarHBondContact O-CB 3.39Å; N210-N214 PolarHBondContact O-N 2.79Å; N210-N214 PolarHBondContact O-ND2 3.23Å; D211-N214 PolarHBondContact O-N 2.9Å; N214-L216 VanDerWaalsContact C-N 3.29Å; N214-L216 PolarHBondContact O-N 3.36Å; N214-L217 PolarHBondContact O-N 3.06Å; N214-Q218 WeakPolarHBondContact O-CB 2.99Å; N214-Q218 PolarHBondContact O-N 3.42Å
215	E	83.8	Confident	83.5	Confident	113 Å²	113	91.1 Å²	91.1	53%	0.528	44%	0.439	S	S	.	.	H	α-helix	trans	-59.8	-41.3	175.3	-170.5	-178.3	-177.7	0	0	111.2	D211 Q218 T219	D211-E215 WeakPolarHBondContact O-CB 3.35Å; D211-E215 PolarHBondContact O-N 3.33Å; E215-Q218 PolarHBondContact O-N 2.89Å; E215-T219 WeakPolarHBondContact O-CB 3.46Å; E215-T219 WeakPolarHBondContact O-CG2 3.36Å; E215-T219 PolarHBondContact O-N 3.37Å; E215-T219 PolarHBondContact O-OG1 2.96Å
216	L	81.2	Confident	83.9	Confident	34 Å²	34	92.1 Å²	92.1	18%	0.178	45%	0.448	C	S	.	.	H	α-helix	trans	-72.1	-32.8	179.7	-160.1	134.9	0	0	0	113.2	P182 Y184 F212 R213 N214 T219 K220	P182-L216 WeakPolarHBondContact O-CD1 3.43Å; Y184-L216 HydrophobicContact CD2-CD2 3.8Å; Y184-L216 HydrophobicContact CG-CD2 4.07Å; F212-L216 WeakPolarHBondContact O-CB 3.38Å; F212-L216 PolarHBondContact O-N 3.13Å; R213-L216 PolarHBondContact O-N 3.42Å; N214-L216 VanDerWaalsContact C-N 3.29Å; N214-L216 PolarHBondContact O-N 3.36Å; L216-T219 VanDerWaalsContact CA-OG1 3.31Å; L216-T219 WeakPolarHBondContact CA-OG1 3.31Å; L216-T219 PolarHBondContact O-OG1 3.44Å; L216-T219 VanDerWaalsContact O-OG1 3.06Å; L216-K220 VanDerWaalsContact O-CB 3.24Å; L216-K220 WeakPolarHBondContact O-CB 2.95Å; L216-K220 PolarHBondContact O-N 2.62Å; L216-K220 VanDerWaalsContact O-N 3.08Å
217	L	82.2	Confident	83.9	Confident	79 Å²	79	91.4 Å²	91.4	41%	0.414	45%	0.447	S	S	.	.	H	α-helix	trans	-69.6	-39.7	170.9	-73.4	171.7	0	0	0	111.5	Y184 R213 N214 K220 K221	Y184-L217 HydrophobicContact CD2-CD2 4.4Å; Y184-L217 HydrophobicContact CD2-CG 4.48Å; Y184-L217 HydrophobicContact CE2-CD1 4.25Å; Y184-L217 HydrophobicContact CE2-CD2 3.94Å; Y184-L217 HydrophobicContact CE2-CG 3.95Å; R213-L217 HydrophobicContact CG-CD1 4.4Å; R213-L217 WeakPolarHBondContact O-CB 3.45Å; R213-L217 VanDerWaalsContact O-CG 3.24Å; R213-L217 WeakPolarHBondContact O-CG 3.39Å; R213-L217 PolarHBondContact O-N 3Å; N214-L217 PolarHBondContact O-N 3.06Å; L217-K220 PolarHBondContact O-N 2.84Å; L217-K221 PolarHBondContact O-N 2.94Å
218	Q	85.1	Confident	84	Confident	114 Å²	114	90.6 Å²	90.6	53%	0.533	44%	0.44	S	S	.	.	H	α-helix	trans	-63.8	-52.3	176.9	178.9	172.3	-5.5	0	0	111.1	N214 E215 K220 K221 E222	N214-Q218 WeakPolarHBondContact O-CB 2.99Å; N214-Q218 PolarHBondContact O-N 3.42Å; E215-Q218 PolarHBondContact O-N 2.89Å; Q218-K220 VanDerWaalsContact C-N 3.26Å; Q218-K220 PolarHBondContact O-N 3.04Å; Q218-K221 WeakPolarHBondContact O-CA 3.41Å; Q218-K221 WeakPolarHBondContact O-CB 3.09Å; Q218-K221 PolarHBondContact O-N 2.89Å; Q218-E222 HydrophobicContact CG-CG 4.44Å; Q218-E222 WeakPolarHBondContact CG-OE1 3.31Å; Q218-E222 PolarHBondContact NE2-OE1 3.38Å; Q218-E222 WeakPolarHBondContact O-CG 3.47Å; Q218-E222 PolarHBondContact O-N 2.78Å
219	T	80.3	Confident	84.2	Confident	67 Å²	67	91 Å²	91	41%	0.411	44%	0.444	S	S	.	.	H	α-helix	trans	-60	-36	176.5	50.6	0	0	0	0	112.2	E215 L216 K223	E215-T219 WeakPolarHBondContact O-CB 3.46Å; E215-T219 WeakPolarHBondContact O-CG2 3.36Å; E215-T219 PolarHBondContact O-N 3.37Å; E215-T219 PolarHBondContact O-OG1 2.96Å; L216-T219 VanDerWaalsContact CA-OG1 3.31Å; L216-T219 WeakPolarHBondContact CA-OG1 3.31Å; L216-T219 PolarHBondContact O-OG1 3.44Å; L216-T219 VanDerWaalsContact O-OG1 3.06Å; T219-K223 VanDerWaalsContact O-CB 3.29Å; T219-K223 WeakPolarHBondContact O-CB 3.37Å; T219-K223 PolarHBondContact O-N 3.4Å
220	K	82.3	Confident	84.5	Confident	134 Å²	134	97.5 Å²	97.5	58%	0.583	47%	0.468	S	S	*	.	H	α-helix	trans	-64.2	-41.3	172.9	-174.5	179.1	179.4	-175.6	0	112	L216 L217 Q218 I224	L216-K220 VanDerWaalsContact O-CB 3.24Å; L216-K220 WeakPolarHBondContact O-CB 2.95Å; L216-K220 PolarHBondContact O-N 2.62Å; L216-K220 VanDerWaalsContact O-N 3.08Å; L217-K220 PolarHBondContact O-N 2.84Å; Q218-K220 VanDerWaalsContact C-N 3.26Å; Q218-K220 PolarHBondContact O-N 3.04Å; K220-I224 HydrophobicContact CG-CD1 4.33Å; K220-I224 WeakPolarHBondContact O-CG1 3.37Å; K220-I224 PolarHBondContact O-N 3.04Å
221	K	87.7	Confident	84.6	Confident	137 Å²	137	99.1 Å²	99.1	60%	0.596	48%	0.475	S	S	*	.	H	α-helix	trans	-66.1	-49.2	176.5	-174.5	-176.4	175.4	-174.2	0	111.2	L217 Q218 K223 I224 D225	L217-K221 PolarHBondContact O-N 2.94Å; Q218-K221 WeakPolarHBondContact O-CA 3.41Å; Q218-K221 WeakPolarHBondContact O-CB 3.09Å; Q218-K221 PolarHBondContact O-N 2.89Å; K221-K223 VanDerWaalsContact C-N 3.26Å; K221-K223 PolarHBondContact O-N 2.88Å; K221-I224 PolarHBondContact O-N 3.42Å; K221-D225 PolarHBondContact O-N 3.08Å
222	E	86.6	Confident	84.9	Confident	101 Å²	101	100.5 Å²	100.5	47%	0.472	48%	0.476	S	S	.	.	H	α-helix	trans	-57.3	-39.8	176.8	-72.1	172.6	-173.3	0	0	111.8	Q218 D225 L226	Q218-E222 HydrophobicContact CG-CG 4.44Å; Q218-E222 WeakPolarHBondContact CG-OE1 3.31Å; Q218-E222 PolarHBondContact NE2-OE1 3.38Å; Q218-E222 WeakPolarHBondContact O-CG 3.47Å; Q218-E222 PolarHBondContact O-N 2.78Å; E222-D225 PolarHBondContact O-N 2.88Å; E222-L226 VanDerWaalsContact O-CB 3.25Å; E222-L226 WeakPolarHBondContact O-CB 3.39Å; E222-L226 PolarHBondContact O-N 3.4Å
223	K	83.7	Confident	85.2	Confident	126 Å²	126	98.9 Å²	98.9	55%	0.548	47%	0.47	S	S	.	.	H	α-helix	trans	-61.7	-44.8	174.4	178.9	178.6	171.2	178.9	0	112.3	T219 K221 L226 E227	T219-K223 VanDerWaalsContact O-CB 3.29Å; T219-K223 WeakPolarHBondContact O-CB 3.37Å; T219-K223 PolarHBondContact O-N 3.4Å; K221-K223 VanDerWaalsContact C-N 3.26Å; K221-K223 PolarHBondContact O-N 2.88Å; K223-L226 PolarHBondContact O-N 3.47Å; K223-E227 WeakPolarHBondContact CE-OE1 3.41Å; K223-E227 IonicContact NZ-OE1 3.42Å; K223-E227 WeakPolarHBondContact O-CB 3.26Å; K223-E227 WeakPolarHBondContact O-CG 3.29Å; K223-E227 PolarHBondContact O-N 3.19Å
224	I	85.9	Confident	85.6	Confident	88 Å²	88	100.3 Å²	100.3	45%	0.451	48%	0.479	S	S	.	.	H	α-helix	trans	-64	-45.6	178.4	-68.7	164.8	0	0	0	110.1	K220 K221 L226 E227 E228	K220-I224 HydrophobicContact CG-CD1 4.33Å; K220-I224 WeakPolarHBondContact O-CG1 3.37Å; K220-I224 PolarHBondContact O-N 3.04Å; K221-I224 PolarHBondContact O-N 3.42Å; I224-L226 VanDerWaalsContact C-N 3.31Å; I224-L226 PolarHBondContact O-N 2.73Å; I224-E227 PolarHBondContact O-N 2.76Å; I224-E228 PolarHBondContact O-N 2.71Å
225	D	89.1	Confident	85.7	Confident	75 Å²	75	100.4 Å²	100.4	40%	0.401	48%	0.476	S	S	.	.	H	α-helix	trans	-61.9	-40	178.1	-65	-18.2	0	0	0	111	K221 E222 E228 T229	K221-D225 PolarHBondContact O-N 3.08Å; E222-D225 PolarHBondContact O-N 2.88Å; D225-E228 PolarHBondContact O-N 2.74Å; D225-T229 WeakPolarHBondContact O-CG2 3.32Å; D225-T229 PolarHBondContact O-N 3.3Å; D225-T229 PolarHBondContact O-OG1 3.03Å
226	L	88	Confident	86	Confident	121 Å²	121	100.8 Å²	100.8	63%	0.634	48%	0.476	S	S	*	.	H	α-helix	trans	-68	-39.9	176	-171.7	63.5	0	0	0	112.5	E222 K223 I224 T229 Y230	E222-L226 VanDerWaalsContact O-CB 3.25Å; E222-L226 WeakPolarHBondContact O-CB 3.39Å; E222-L226 PolarHBondContact O-N 3.4Å; K223-L226 PolarHBondContact O-N 3.47Å; I224-L226 VanDerWaalsContact C-N 3.31Å; I224-L226 PolarHBondContact O-N 2.73Å; L226-T229 WeakPolarHBondContact CA-OG1 3.17Å; L226-T229 PolarHBondContact O-OG1 3.12Å; L226-Y230 VanDerWaalsContact O-CB 3.26Å; L226-Y230 WeakPolarHBondContact O-CB 3.46Å; L226-Y230 PolarHBondContact O-N 3.2Å
227	E	82.9	Confident	86.3	Confident	100 Å²	100	106.3 Å²	106.3	47%	0.467	49%	0.494	S	S	.	.	H	α-helix	trans	-64.7	-41.3	174.8	-77.1	174.4	176	0	0	111.3	K223 I224 Y230 M231	K223-E227 WeakPolarHBondContact CE-OE1 3.41Å; K223-E227 IonicContact NZ-OE1 3.42Å; K223-E227 WeakPolarHBondContact O-CB 3.26Å; K223-E227 WeakPolarHBondContact O-CG 3.29Å; K223-E227 PolarHBondContact O-N 3.19Å; I224-E227 PolarHBondContact O-N 2.76Å; E227-Y230 PolarHBondContact O-N 3.22Å; E227-M231 WeakPolarHBondContact O-CB 3.3Å; E227-M231 VanDerWaalsContact O-CG 3.26Å; E227-M231 WeakPolarHBondContact O-CG 3.29Å; E227-M231 PolarHBondContact O-N 3.39Å
228	E	87.5	Confident	86.4	Confident	99 Å²	99	109 Å²	109	46%	0.463	50%	0.502	S	S	.	.	H	α-helix	trans	-65.1	-44.7	177.3	-168.1	-174.1	160.3	0	0	111.8	I224 D225 M231 K232	I224-E228 PolarHBondContact O-N 2.71Å; D225-E228 PolarHBondContact O-N 2.74Å; E228-M231 PolarHBondContact O-N 3.25Å; E228-K232 WeakPolarHBondContact O-CG 3.46Å; E228-K232 PolarHBondContact O-N 3.32Å; E228-K232 WeakPolarHBondContact OE1-CE 3.45Å; E228-K232 IonicContact OE1-NZ 2.68Å; E228-K232 PolarHBondContact OE1-NZ 3.03Å
229	T	87	Confident	86.6	Confident	77 Å²	77	107.4 Å²	107.4	47%	0.472	50%	0.504	S	S	.	.	H	α-helix	trans	-64.6	-41.9	176.6	50.5	0	0	0	0	112.1	D225 L226 M231 K232 E233	D225-T229 WeakPolarHBondContact O-CG2 3.32Å; D225-T229 PolarHBondContact O-N 3.3Å; D225-T229 PolarHBondContact O-OG1 3.03Å; L226-T229 WeakPolarHBondContact CA-OG1 3.17Å; L226-T229 PolarHBondContact O-OG1 3.12Å; T229-M231 VanDerWaalsContact C-N 3.35Å; T229-M231 PolarHBondContact O-N 3.19Å; T229-K232 PolarHBondContact O-N 2.96Å; T229-E233 WeakPolarHBondContact O-CB 3.47Å; T229-E233 PolarHBondContact O-N 3.11Å
230	Y	86.9	Confident	87.1	Confident	148 Å²	148	107.3 Å²	107.3	58%	0.58	50%	0.501	S	S	*	.	H	α-helix	trans	-58.6	-45.6	173.2	171.8	-100	0	0	0	111.9	L226 E227 E233 K234	L226-Y230 VanDerWaalsContact O-CB 3.26Å; L226-Y230 WeakPolarHBondContact O-CB 3.46Å; L226-Y230 PolarHBondContact O-N 3.2Å; E227-Y230 PolarHBondContact O-N 3.22Å; Y230-E233 PolarHBondContact O-N 3.38Å; Y230-K234 HydrophobicContact CE1-CD 4.4Å; Y230-K234 WeakPolarHBondContact O-CB 3.41Å; Y230-K234 PolarHBondContact O-N 3.32Å
231	M	84.9	Confident	87.2	Confident	94 Å²	94	105.9 Å²	105.9	46%	0.463	50%	0.5	S	S	.	.	H	α-helix	trans	-65.3	-41.1	179	-73	-61.2	-67.5	0	0	112.4	E227 E228 T229 K234 E235	E227-M231 WeakPolarHBondContact O-CB 3.3Å; E227-M231 VanDerWaalsContact O-CG 3.26Å; E227-M231 WeakPolarHBondContact O-CG 3.29Å; E227-M231 PolarHBondContact O-N 3.39Å; E228-M231 PolarHBondContact O-N 3.25Å; T229-M231 VanDerWaalsContact C-N 3.35Å; T229-M231 PolarHBondContact O-N 3.19Å; M231-K234 PolarHBondContact O-N 3.44Å; M231-K234 HydrophobicContact SD-CD 4.43Å; M231-E235 PolarHBondContact O-N 3.23Å
232	K	90.5	Very high	87	Confident	126 Å²	126	103 Å²	103	55%	0.548	50%	0.496	S	S	.	.	H	α-helix	trans	-60.4	-45.6	174.1	-75	174.5	-176.7	167.5	0	111.9	E228 T229 K234 E235 K236	E228-K232 WeakPolarHBondContact O-CG 3.46Å; E228-K232 PolarHBondContact O-N 3.32Å; E228-K232 WeakPolarHBondContact OE1-CE 3.45Å; E228-K232 IonicContact OE1-NZ 2.68Å; E228-K232 PolarHBondContact OE1-NZ 3.03Å; T229-K232 PolarHBondContact O-N 2.96Å; K232-K234 VanDerWaalsContact C-N 3.35Å; K232-E235 PolarHBondContact O-N 3Å; K232-K236 WeakPolarHBondContact O-CB 3.3Å; K232-K236 PolarHBondContact O-N 2.76Å
233	E	88.9	Confident	87.2	Confident	73 Å²	73	104.7 Å²	104.7	34%	0.341	50%	0.498	S	S	.	.	H	α-helix	trans	-67.3	-36.8	179.7	-173.5	68.6	-175.1	0	0	111.8	T229 Y230 K236 R237	T229-E233 WeakPolarHBondContact O-CB 3.47Å; T229-E233 PolarHBondContact O-N 3.11Å; Y230-E233 PolarHBondContact O-N 3.38Å; E233-K236 PolarHBondContact O-N 2.94Å; E233-R237 PolarHBondContact O-N 3.16Å; E233-R237 IonicContact OE1-CZ 2.8Å; E233-R237 IonicContact OE1-NH1 2.65Å; E233-R237 PolarHBondContact OE1-NH1 2.94Å; E233-R237 IonicContact OE1-NH2 3.92Å; E233-R237 PolarHBondContact OE1-NH2 3.14Å
234	K	87.9	Confident	87.5	Confident	107 Å²	107	102.7 Å²	102.7	47%	0.465	49%	0.493	S	S	.	.	H	α-helix	trans	-62.3	-47.3	174.9	-177.5	-177.4	175.8	-173	0	111.9	Y230 M231 K232 R237 K238	Y230-K234 HydrophobicContact CE1-CD 4.4Å; Y230-K234 WeakPolarHBondContact O-CB 3.41Å; Y230-K234 PolarHBondContact O-N 3.32Å; M231-K234 PolarHBondContact O-N 3.44Å; M231-K234 HydrophobicContact SD-CD 4.43Å; K232-K234 VanDerWaalsContact C-N 3.35Å; K234-R237 PolarHBondContact O-N 3.12Å; K234-K238 WeakPolarHBondContact O-CB 3.36Å; K234-K238 PolarHBondContact O-N 3.32Å
235	E	87.1	Confident	87.2	Confident	96 Å²	96	104 Å²	104	45%	0.449	50%	0.497	S	S	.	.	H	α-helix	trans	-66.3	-37.6	177.3	-70.9	-56	132.9	0	0	111.9	M231 K232 K238 S239	M231-E235 PolarHBondContact O-N 3.23Å; K232-E235 PolarHBondContact O-N 3Å; E235-K238 WeakPolarHBondContact O-CB 3.47Å; E235-K238 PolarHBondContact O-N 3.16Å; E235-S239 PolarHBondContact O-N 3.33Å
236	K	90.3	Very high	86.9	Confident	120 Å²	120	101.7 Å²	101.7	52%	0.522	49%	0.492	S	S	.	.	H	α-helix	trans	-59.8	-49.9	173.4	-176.2	-175.8	173.8	-169.9	0	111.8	K232 E233 K238 S239 D240	K232-K236 WeakPolarHBondContact O-CB 3.3Å; K232-K236 PolarHBondContact O-N 2.76Å; E233-K236 PolarHBondContact O-N 2.94Å; K236-K238 VanDerWaalsContact C-N 3.28Å; K236-K238 PolarHBondContact O-N 3.18Å; K236-S239 WeakPolarHBondContact O-CB 3.38Å; K236-S239 PolarHBondContact O-N 3.5Å; K236-S239 VanDerWaalsContact O-N 3.14Å; K236-D240 PolarHBondContact O-N 2.95Å
237	R	87.1	Confident	87	Confident	151 Å²	151	99.9 Å²	99.9	57%	0.57	48%	0.48	S	S	*	.	H	α-helix	trans	-59.9	-38	177.1	-77.9	-165	168.5	89.9	10.6	112.6	E233 K234 D240 L241	E233-R237 PolarHBondContact O-N 3.16Å; E233-R237 IonicContact OE1-CZ 2.8Å; E233-R237 IonicContact OE1-NH1 2.65Å; E233-R237 PolarHBondContact OE1-NH1 2.94Å; E233-R237 IonicContact OE1-NH2 3.92Å; E233-R237 PolarHBondContact OE1-NH2 3.14Å; K234-R237 PolarHBondContact O-N 3.12Å; R237-D240 PolarHBondContact O-N 2.94Å; R237-L241 WeakPolarHBondContact O-CB 3.43Å; R237-L241 PolarHBondContact O-N 2.68Å
238	K	84.7	Confident	86.9	Confident	134 Å²	134	99.6 Å²	99.6	58%	0.583	48%	0.481	S	S	*	.	H	α-helix	trans	-64.1	-41.7	175.6	-175.2	-176.8	173.7	-167.2	0	111.9	K234 E235 K236 S242	K234-K238 WeakPolarHBondContact O-CB 3.36Å; K234-K238 PolarHBondContact O-N 3.32Å; E235-K238 WeakPolarHBondContact O-CB 3.47Å; E235-K238 PolarHBondContact O-N 3.16Å; K236-K238 VanDerWaalsContact C-N 3.28Å; K236-K238 PolarHBondContact O-N 3.18Å; K238-S242 PolarHBondContact O-N 2.89Å; K238-S242 VanDerWaalsContact O-N 3.08Å
239	S	89.7	Confident	86.6	Confident	82 Å²	82	100.6 Å²	100.6	57%	0.573	49%	0.486	S	S	*	.	H	α-helix	trans	-63.7	-43.5	174.3	-173.4	0	0	0	0	112.1	E235 K236 S242 R243	E235-S239 PolarHBondContact O-N 3.33Å; K236-S239 WeakPolarHBondContact O-CB 3.38Å; K236-S239 PolarHBondContact O-N 3.5Å; K236-S239 VanDerWaalsContact O-N 3.14Å; S239-S242 PolarHBondContact O-N 2.88Å; S239-R243 PolarHBondContact O-N 3.41Å
240	D	90	Very high	86.7	Confident	65 Å²	65	102.7 Å²	102.7	35%	0.348	49%	0.494	S	S	.	.	H	α-helix	trans	-63.8	-43	178.4	-74.7	-31.2	0	0	0	111.7	K236 R237 R243 L244	K236-D240 PolarHBondContact O-N 2.95Å; R237-D240 PolarHBondContact O-N 2.94Å; D240-R243 PolarHBondContact O-N 3.42Å; D240-L244 WeakPolarHBondContact O-CD1 3.43Å; D240-L244 PolarHBondContact O-N 3.44Å
241	L	84.4	Confident	87	Confident	104 Å²	104	101.2 Å²	101.2	55%	0.545	49%	0.492	S	S	.	.	H	α-helix	trans	-58.4	-48.2	174.1	-90.3	161.4	0	0	0	111.8	R237 R243 L244 E245	R237-L241 WeakPolarHBondContact O-CB 3.43Å; R237-L241 PolarHBondContact O-N 2.68Å; L241-R243 VanDerWaalsContact C-N 3.28Å; L241-R243 PolarHBondContact O-N 3.07Å; L241-L244 PolarHBondContact O-N 3.19Å; L241-L244 VanDerWaalsContact O-N 3.16Å; L241-E245 WeakPolarHBondContact O-CG 3.32Å; L241-E245 PolarHBondContact O-N 3.01Å
242	S	84.3	Confident	86.8	Confident	76 Å²	76	101.1 Å²	101.1	53%	0.531	49%	0.492	S	S	.	.	H	α-helix	trans	-62.1	-35.7	178.8	-177.3	0	0	0	0	112.5	K238 S239 G246	K238-S242 PolarHBondContact O-N 2.89Å; K238-S242 VanDerWaalsContact O-N 3.08Å; S239-S242 PolarHBondContact O-N 2.88Å; S242-G246 PolarHBondContact O-N 3.43Å; S242-G246 VanDerWaalsContact O-N 3.12Å
243	R	90.7	Very high	86.5	Confident	136 Å²	136	100.8 Å²	100.8	51%	0.513	49%	0.491	S	S	.	.	H	α-helix	trans	-65.2	-46.5	173.4	-176.3	179.4	66.9	90.3	-1.3	111.7	S239 D240 L241 G246 E247	S239-R243 PolarHBondContact O-N 3.41Å; D240-R243 PolarHBondContact O-N 3.42Å; L241-R243 VanDerWaalsContact C-N 3.28Å; L241-R243 PolarHBondContact O-N 3.07Å; R243-G246 PolarHBondContact O-N 2.94Å; R243-E247 IonicContact CZ-OE1 2.63Å; R243-E247 IonicContact NH1-OE1 2.78Å; R243-E247 PolarHBondContact NH1-OE1 3.46Å; R243-E247 IonicContact NH1-OE2 2.73Å; R243-E247 WeakPolarHBondContact O-CG 3.38Å; R243-E247 PolarHBondContact O-N 2.81Å
244	L	89.6	Confident	86.6	Confident	84 Å²	84	99.9 Å²	99.9	44%	0.44	49%	0.493	S	S	.	.	H	α-helix	trans	-62.2	-42.2	177.5	-89.4	145.1	0	0	0	112.1	D240 L241 E247 L248	D240-L244 WeakPolarHBondContact O-CD1 3.43Å; D240-L244 PolarHBondContact O-N 3.44Å; L241-L244 PolarHBondContact O-N 3.19Å; L241-L244 VanDerWaalsContact O-N 3.16Å; L244-E247 PolarHBondContact O-N 3.23Å; L244-L248 WeakPolarHBondContact O-CB 3.33Å; L244-L248 WeakPolarHBondContact O-CG 3.09Å; L244-L248 PolarHBondContact O-N 2.85Å
245	E	79.7	Confident	86.6	Confident	115 Å²	115	99 Å²	99	54%	0.537	49%	0.492	S	S	.	.	H	α-helix	trans	-58.1	-47.8	174.3	-74.7	173.2	169.7	0	0	111	L241 E247 L248 E249	L241-E245 WeakPolarHBondContact O-CG 3.32Å; L241-E245 PolarHBondContact O-N 3.01Å; E245-E247 PolarHBondContact O-N 3.38Å; E245-L248 PolarHBondContact O-N 3.38Å; E245-E249 WeakPolarHBondContact O-CG 3.43Å; E245-E249 PolarHBondContact O-N 3.29Å
246	G	83.3	Confident	86.3	Confident	28 Å²	28	99 Å²	99	29%	0.289	49%	0.492	S	S	.	.	H	α-helix	trans	-62.4	-39.9	175.9	0	0	0	0	0	113.6	S242 R243 E249 L250	S242-G246 PolarHBondContact O-N 3.43Å; S242-G246 VanDerWaalsContact O-N 3.12Å; R243-G246 PolarHBondContact O-N 2.94Å; G246-E249 PolarHBondContact O-N 3.44Å; G246-L250 WeakPolarHBondContact O-CG 3.35Å; G246-L250 PolarHBondContact O-N 3.17Å; G246-L250 VanDerWaalsContact O-N 3.16Å
247	E	90.3	Very high	86.1	Confident	83 Å²	83	99.4 Å²	99.4	39%	0.388	50%	0.496	S	S	.	.	H	α-helix	trans	-64.1	-41.4	175.6	-75.8	174.5	-163.4	0	0	112	R243 L244 E245 L250 Q251	R243-E247 IonicContact CZ-OE1 2.63Å; R243-E247 IonicContact NH1-OE1 2.78Å; R243-E247 PolarHBondContact NH1-OE1 3.46Å; R243-E247 IonicContact NH1-OE2 2.73Å; R243-E247 WeakPolarHBondContact O-CG 3.38Å; R243-E247 PolarHBondContact O-N 2.81Å; L244-E247 PolarHBondContact O-N 3.23Å; E245-E247 PolarHBondContact O-N 3.38Å; E247-L250 PolarHBondContact O-N 2.83Å; E247-Q251 WeakPolarHBondContact O-CG 3.42Å; E247-Q251 PolarHBondContact O-N 2.88Å; E247-Q251 VanDerWaalsContact O-N 3.07Å
248	L	80.7	Confident	86.2	Confident	93 Å²	93	98.4 Å²	98.4	49%	0.487	49%	0.492	S	S	.	.	H	α-helix	trans	-67.6	-42	177	-72.6	173.9	0	0	0	112.1	L244 E245 L250 Q251 I252	L244-L248 WeakPolarHBondContact O-CB 3.33Å; L244-L248 WeakPolarHBondContact O-CG 3.09Å; L244-L248 PolarHBondContact O-N 2.85Å; E245-L248 PolarHBondContact O-N 3.38Å; L248-L250 VanDerWaalsContact C-N 3.29Å; L248-L250 PolarHBondContact O-N 3.47Å; L248-Q251 PolarHBondContact O-N 3.46Å; L248-I252 VanDerWaalsContact O-CG1 3.28Å; L248-I252 WeakPolarHBondContact O-CG1 3.37Å; L248-I252 PolarHBondContact O-N 3.49Å
249	E	80.7	Confident	86.2	Confident	121 Å²	121	94.2 Å²	94.2	57%	0.565	48%	0.483	S	S	*	.	H	α-helix	trans	-58.8	-41.1	175.5	-78.1	-178.5	178.7	0	0	112	E245 G246 K253	E245-E249 WeakPolarHBondContact O-CG 3.43Å; E245-E249 PolarHBondContact O-N 3.29Å; G246-E249 PolarHBondContact O-N 3.44Å; E249-K253 WeakPolarHBondContact O-CG 3.38Å; E249-K253 PolarHBondContact O-N 2.96Å
250	L	89.1	Confident	85.9	Confident	121 Å²	121	97 Å²	97	63%	0.634	48%	0.484	S	S	*	.	H	α-helix	trans	-66.7	-41.1	176.1	-70.6	173.9	0	0	0	112.1	G246 E247 L248 K253 S254	G246-L250 WeakPolarHBondContact O-CG 3.35Å; G246-L250 PolarHBondContact O-N 3.17Å; G246-L250 VanDerWaalsContact O-N 3.16Å; E247-L250 PolarHBondContact O-N 2.83Å; L248-L250 VanDerWaalsContact C-N 3.29Å; L248-L250 PolarHBondContact O-N 3.47Å; L250-K253 PolarHBondContact O-N 3.12Å; L250-S254 PolarHBondContact O-N 3.49Å
251	Q	93.4	Very high	85.5	Confident	117 Å²	117	97.5 Å²	97.5	55%	0.547	49%	0.493	S	S	.	.	H	α-helix	trans	-64.6	-43.5	176.1	-74.4	-178.9	6.2	0	0	112.1	E247 L248 S254 I255	E247-Q251 WeakPolarHBondContact O-CG 3.42Å; E247-Q251 PolarHBondContact O-N 2.88Å; E247-Q251 VanDerWaalsContact O-N 3.07Å; L248-Q251 PolarHBondContact O-N 3.46Å; Q251-S254 PolarHBondContact O-N 3.46Å; Q251-I255 VanDerWaalsContact O-CG1 3.3Å; Q251-I255 WeakPolarHBondContact O-CG1 3.4Å; Q251-I255 PolarHBondContact O-N 3.4Å
252	I	80.2	Confident	85.6	Confident	91 Å²	91	97.6 Å²	97.6	47%	0.467	49%	0.491	S	S	.	.	H	α-helix	trans	-60.3	-48.9	176.7	-69.5	166.2	0	0	0	109.8	L248 S254 I255 E256	L248-I252 VanDerWaalsContact O-CG1 3.28Å; L248-I252 WeakPolarHBondContact O-CG1 3.37Å; L248-I252 PolarHBondContact O-N 3.49Å; I252-S254 VanDerWaalsContact C-N 3.32Å; I252-S254 PolarHBondContact O-N 3.37Å; I252-I255 PolarHBondContact O-N 3.42Å; I252-I255 VanDerWaalsContact O-N 3.14Å; I252-E256 HydrophobicContact CG2-CG 4.25Å; I252-E256 WeakPolarHBondContact O-CB 3.49Å; I252-E256 WeakPolarHBondContact O-CG 3.49Å; I252-E256 PolarHBondContact O-N 3.44Å
253	K	85.3	Confident	85.5	Confident	120 Å²	120	98.7 Å²	98.7	52%	0.522	49%	0.494	S	S	.	.	H	α-helix	trans	-56.4	-44.5	176	-77.5	177.5	-179.6	173.6	0	112.3	E249 L250 I255 E256 E257	E249-K253 WeakPolarHBondContact O-CG 3.38Å; E249-K253 PolarHBondContact O-N 2.96Å; L250-K253 PolarHBondContact O-N 3.12Å; K253-I255 PolarHBondContact O-N 3.42Å; K253-E256 PolarHBondContact O-N 3.33Å; K253-E257 WeakPolarHBondContact O-CB 3.46Å; K253-E257 WeakPolarHBondContact O-CG 3.49Å; K253-E257 PolarHBondContact O-N 3.48Å
254	S	90.5	Very high	85.1	Confident	53 Å²	53	98 Å²	98	37%	0.371	50%	0.496	S	S	.	.	H	α-helix	trans	-64	-39.3	177.3	178.3	0	0	0	0	113.1	L250 Q251 I252 R258	L250-S254 PolarHBondContact O-N 3.49Å; Q251-S254 PolarHBondContact O-N 3.46Å; I252-S254 VanDerWaalsContact C-N 3.32Å; I252-S254 PolarHBondContact O-N 3.37Å; S254-R258 WeakPolarHBondContact O-CB 3.26Å; S254-R258 WeakPolarHBondContact O-CG 3.44Å; S254-R258 PolarHBondContact O-N 2.74Å; S254-R258 VanDerWaalsContact O-N 3.08Å; S254-R258 PolarHBondContact O-NE 2.8Å
255	I	86.9	Confident	85.1	Confident	90 Å²	90	100.5 Å²	100.5	46%	0.462	51%	0.506	S	S	.	.	H	α-helix	trans	-66.2	-45.6	175.5	-68.9	163.9	0	0	0	110.2	Q251 I252 K253 R258 A259	Q251-I255 VanDerWaalsContact O-CG1 3.3Å; Q251-I255 WeakPolarHBondContact O-CG1 3.4Å; Q251-I255 PolarHBondContact O-N 3.4Å; I252-I255 PolarHBondContact O-N 3.42Å; I252-I255 VanDerWaalsContact O-N 3.14Å; K253-I255 PolarHBondContact O-N 3.42Å; I255-R258 PolarHBondContact O-N 3.03Å; I255-A259 WeakPolarHBondContact O-CB 3.36Å; I255-A259 PolarHBondContact O-N 3.45Å
256	E	81.6	Confident	85.5	Confident	95 Å²	95	101.5 Å²	101.5	44%	0.444	51%	0.509	S	S	.	.	H	α-helix	trans	-61.6	-44.5	178.4	-74.5	-178	-179.9	0	0	112.1	I252 K253 A259 K260	I252-E256 HydrophobicContact CG2-CG 4.25Å; I252-E256 WeakPolarHBondContact O-CB 3.49Å; I252-E256 WeakPolarHBondContact O-CG 3.49Å; I252-E256 PolarHBondContact O-N 3.44Å; K253-E256 PolarHBondContact O-N 3.33Å; E256-A259 PolarHBondContact O-N 3.49Å; E256-K260 WeakPolarHBondContact O-CB 3.43Å; E256-K260 VanDerWaalsContact O-CG 3.24Å; E256-K260 WeakPolarHBondContact O-CG 3.36Å; E256-K260 PolarHBondContact O-N 2.94Å
257	E	86.8	Confident	85.7	Confident	129 Å²	129	105.4 Å²	105.4	60%	0.603	52%	0.522	S	S	*	.	H	α-helix	trans	-61.6	-45.5	175.8	-76.5	175.9	-179.5	0	0	111.3	K253 K260 S261	K253-E257 WeakPolarHBondContact O-CB 3.46Å; K253-E257 WeakPolarHBondContact O-CG 3.49Å; K253-E257 PolarHBondContact O-N 3.48Å; E257-K260 PolarHBondContact O-N 3.45Å; E257-S261 WeakPolarHBondContact O-CB 3.42Å; E257-S261 PolarHBondContact O-N 3.14Å; E257-S261 PolarHBondContact O-OG 2.91Å
258	R	87.3	Confident	85.4	Confident	129 Å²	129	105.4 Å²	105.4	49%	0.487	52%	0.522	S	S	.	.	H	α-helix	trans	-60.9	-47.2	175.7	-79.7	-177.2	-72.8	119	-9.1	112.4	S254 I255 K260 S261 E262	S254-R258 WeakPolarHBondContact O-CB 3.26Å; S254-R258 WeakPolarHBondContact O-CG 3.44Å; S254-R258 PolarHBondContact O-N 2.74Å; S254-R258 VanDerWaalsContact O-N 3.08Å; S254-R258 PolarHBondContact O-NE 2.8Å; I255-R258 PolarHBondContact O-N 3.03Å; R258-K260 VanDerWaalsContact C-N 3.32Å; R258-K260 PolarHBondContact O-N 3.35Å; R258-S261 PolarHBondContact O-N 3.34Å; R258-E262 WeakPolarHBondContact O-CG 3.3Å; R258-E262 PolarHBondContact O-N 3.04Å
259	A	85.9	Confident	85.7	Confident	47 Å²	47	104 Å²	104	39%	0.388	52%	0.52	S	S	.	.	H	α-helix	trans	-61.1	-41.9	178.2	0	0	0	0	0	111.7	I255 E256 E262 V263	I255-A259 WeakPolarHBondContact O-CB 3.36Å; I255-A259 PolarHBondContact O-N 3.45Å; E256-A259 PolarHBondContact O-N 3.49Å; A259-E262 PolarHBondContact O-N 2.96Å; A259-V263 VanDerWaalsContact O-CG2 3.3Å; A259-V263 WeakPolarHBondContact O-CG2 3.29Å; A259-V263 PolarHBondContact O-N 3.42Å; A259-V263 VanDerWaalsContact O-N 3.07Å
260	K	82.6	Confident	86	Confident	139 Å²	139	104.6 Å²	104.6	60%	0.604	52%	0.523	S	S	*	.	H	α-helix	trans	-62.4	-44.2	175	-75.5	169.6	-177.4	166.7	0	111.7	E256 E257 R258 H264	E256-K260 WeakPolarHBondContact O-CB 3.43Å; E256-K260 VanDerWaalsContact O-CG 3.24Å; E256-K260 WeakPolarHBondContact O-CG 3.36Å; E256-K260 PolarHBondContact O-N 2.94Å; E257-K260 PolarHBondContact O-N 3.45Å; R258-K260 VanDerWaalsContact C-N 3.32Å; R258-K260 PolarHBondContact O-N 3.35Å; K260-H264 WeakPolarHBondContact O-CB 3.47Å; K260-H264 PolarHBondContact O-N 3.36Å
261	S	81.4	Confident	85.6	Confident	77 Å²	77	106.4 Å²	106.4	54%	0.538	52%	0.523	S	S	.	.	H	α-helix	trans	-63.4	-44.9	177.4	-68.9	0	0	0	0	112.3	E257 R258 V263 H264 E265	E257-S261 WeakPolarHBondContact O-CB 3.42Å; E257-S261 PolarHBondContact O-N 3.14Å; E257-S261 PolarHBondContact O-OG 2.91Å; R258-S261 PolarHBondContact O-N 3.34Å; S261-V263 PolarHBondContact O-N 2.96Å; S261-H264 PolarHBondContact O-N 3.3Å; S261-E265 WeakPolarHBondContact O-CB 3.14Å; S261-E265 PolarHBondContact O-N 3.47Å
262	E	86.6	Confident	85.3	Confident	106 Å²	106	108.4 Å²	108.4	50%	0.495	53%	0.525	S	S	.	.	H	α-helix	trans	-62.9	-41.8	178.6	-73.3	175.1	-159.8	0	0	112.3	R258 A259 K266	R258-E262 WeakPolarHBondContact O-CG 3.3Å; R258-E262 PolarHBondContact O-N 3.04Å; A259-E262 PolarHBondContact O-N 2.96Å; E262-K266 WeakPolarHBondContact O-CG 3.35Å; E262-K266 PolarHBondContact O-N 3.34Å; E262-K266 VanDerWaalsContact O-N 3.09Å
263	V	83.1	Confident	85.7	Confident	99 Å²	99	107.9 Å²	107.9	60%	0.6	53%	0.526	S	S	*	.	H	α-helix	trans	-65.4	-43.6	175.6	171.9	0	0	0	0	110.7	A259 S261 K266 L267	A259-V263 VanDerWaalsContact O-CG2 3.3Å; A259-V263 WeakPolarHBondContact O-CG2 3.29Å; A259-V263 PolarHBondContact O-N 3.42Å; A259-V263 VanDerWaalsContact O-N 3.07Å; S261-V263 PolarHBondContact O-N 2.96Å; V263-K266 PolarHBondContact O-N 3.13Å; V263-L267 WeakPolarHBondContact O-CB 3.39Å; V263-L267 PolarHBondContact O-N 2.98Å
264	H	82.3	Confident	85.9	Confident	120 Å²	120	106.8 Å²	106.8	56%	0.556	53%	0.525	S	S	*	.	H	α-helix	trans	-62.4	-43.4	178.2	-176.7	69.4	0	0	0	112.2	K260 S261 L267 Q268	K260-H264 WeakPolarHBondContact O-CB 3.47Å; K260-H264 PolarHBondContact O-N 3.36Å; S261-H264 PolarHBondContact O-N 3.3Å; H264-L267 PolarHBondContact O-N 3.04Å; H264-Q268 WeakPolarHBondContact O-CB 3.22Å; H264-Q268 PolarHBondContact O-N 3.23Å
265	E	89.6	Confident	85.8	Confident	137 Å²	137	106.7 Å²	106.7	64%	0.64	52%	0.523	S	S	*	.	H	α-helix	trans	-64.1	-44.2	178.8	-173	176.4	-170.7	0	0	111.7	S261 Q268 S269	S261-E265 WeakPolarHBondContact O-CB 3.14Å; S261-E265 PolarHBondContact O-N 3.47Å; E265-Q268 PolarHBondContact O-N 3.46Å; E265-S269 WeakPolarHBondContact O-CB 3.32Å; E265-S269 PolarHBondContact O-N 2.9Å
266	K	88.6	Confident	85.9	Confident	137 Å²	137	104.8 Å²	104.8	60%	0.596	52%	0.517	S	S	*	.	H	α-helix	trans	-59.9	-50	175.3	-75.2	174.3	-177.8	172.7	0	111.6	E262 V263 Q268 S269 E270	E262-K266 WeakPolarHBondContact O-CG 3.35Å; E262-K266 PolarHBondContact O-N 3.34Å; E262-K266 VanDerWaalsContact O-N 3.09Å; V263-K266 PolarHBondContact O-N 3.13Å; K266-Q268 VanDerWaalsContact C-N 3.29Å; K266-Q268 PolarHBondContact O-N 2.97Å; K266-S269 PolarHBondContact O-N 2.92Å; K266-S269 VanDerWaalsContact O-N 3.14Å; K266-S269 PolarHBondContact O-OG 2.99Å; K266-E270 PolarHBondContact O-N 3.23Å
267	L	86.4	Confident	86.4	Confident	110 Å²	110	104.3 Å²	104.3	58%	0.576	52%	0.518	S	S	*	.	H	α-helix	trans	-59.4	-41.6	178.2	-174.3	69.7	0	0	0	111.6	V263 H264 E270 Y271	V263-L267 WeakPolarHBondContact O-CB 3.39Å; V263-L267 PolarHBondContact O-N 2.98Å; H264-L267 PolarHBondContact O-N 3.04Å; L267-E270 PolarHBondContact O-N 3.29Å; L267-Y271 WeakPolarHBondContact O-CB 3.2Å; L267-Y271 PolarHBondContact O-N 3.17Å
268	Q	85.2	Confident	86.6	Confident	83 Å²	83	103.3 Å²	103.3	39%	0.388	51%	0.511	S	S	.	.	H	α-helix	trans	-66.4	-38.4	177.6	-166.6	-178.8	22.6	0	0	112	H264 E265 K266 R272	H264-Q268 WeakPolarHBondContact O-CB 3.22Å; H264-Q268 PolarHBondContact O-N 3.23Å; E265-Q268 PolarHBondContact O-N 3.46Å; K266-Q268 VanDerWaalsContact C-N 3.29Å; K266-Q268 PolarHBondContact O-N 2.97Å; Q268-R272 VanDerWaalsContact O-CG 3.28Å; Q268-R272 WeakPolarHBondContact O-CG 3.49Å; Q268-R272 PolarHBondContact O-N 3.04Å
269	S	85.6	Confident	86.6	Confident	63 Å²	63	102.8 Å²	102.8	44%	0.441	51%	0.514	S	S	.	.	H	α-helix	trans	-66	-40.4	176.7	76.7	0	0	0	0	112.3	E265 K266 R272 T273	E265-S269 WeakPolarHBondContact O-CB 3.32Å; E265-S269 PolarHBondContact O-N 2.9Å; K266-S269 PolarHBondContact O-N 2.92Å; K266-S269 VanDerWaalsContact O-N 3.14Å; K266-S269 PolarHBondContact O-OG 2.99Å; S269-R272 PolarHBondContact O-N 3.32Å; S269-T273 PolarHBondContact O-N 3.06Å; S269-T273 PolarHBondContact O-OG1 3.15Å
270	E	86.9	Confident	86.7	Confident	134 Å²	134	105.6 Å²	105.6	63%	0.626	52%	0.519	S	S	*	.	H	α-helix	trans	-65.6	-45	176.7	-170.9	176	-173.7	0	0	110.6	K266 L267 R272 T273 L274	K266-E270 PolarHBondContact O-N 3.23Å; L267-E270 PolarHBondContact O-N 3.29Å; E270-R272 PolarHBondContact O-N 3.45Å; E270-T273 PolarHBondContact O-N 3.35Å; E270-L274 WeakPolarHBondContact O-CB 3.47Å; E270-L274 PolarHBondContact O-N 2.75Å
271	Y	81.7	Confident	87	Confident	159 Å²	159	103.2 Å²	103.2	62%	0.624	51%	0.511	S	S	*	.	H	α-helix	trans	-60.3	-44.4	175.3	-170.1	-97	0	0	0	112.3	L267 T273 L274 V275	L267-Y271 WeakPolarHBondContact O-CB 3.2Å; L267-Y271 PolarHBondContact O-N 3.17Å; Y271-T273 VanDerWaalsContact C-N 3.33Å; Y271-T273 PolarHBondContact O-N 3.44Å; Y271-L274 PolarHBondContact O-N 3.42Å; Y271-V275 HydrophobicContact CD1-CG2 4.01Å; Y271-V275 HydrophobicContact CE1-CG2 3.67Å; Y271-V275 VanDerWaalsContact O-CG2 3.3Å; Y271-V275 WeakPolarHBondContact O-CG2 3.48Å; Y271-V275 PolarHBondContact O-N 3.18Å
272	R	86.3	Confident	87	Confident	159 Å²	159	103.7 Å²	103.7	60%	0.6	51%	0.506	S	S	*	.	H	α-helix	trans	-61	-41.7	176.2	-75.3	175.3	-170	-86.8	0.4	112	Q268 S269 E270 S276	Q268-R272 VanDerWaalsContact O-CG 3.28Å; Q268-R272 WeakPolarHBondContact O-CG 3.49Å; Q268-R272 PolarHBondContact O-N 3.04Å; S269-R272 PolarHBondContact O-N 3.32Å; E270-R272 PolarHBondContact O-N 3.45Å; R272-S276 WeakPolarHBondContact O-CB 3.41Å; R272-S276 PolarHBondContact O-N 3Å
273	T	88.3	Confident	87	Confident	79 Å²	79	102.5 Å²	102.5	49%	0.485	51%	0.506	S	S	.	.	H	α-helix	trans	-65.6	-44.7	178.8	-53	0	0	0	0	110.7	S269 E270 Y271 S276 N277	S269-T273 PolarHBondContact O-N 3.06Å; S269-T273 PolarHBondContact O-OG1 3.15Å; E270-T273 PolarHBondContact O-N 3.35Å; Y271-T273 VanDerWaalsContact C-N 3.33Å; Y271-T273 PolarHBondContact O-N 3.44Å; T273-S276 PolarHBondContact O-N 2.82Å; T273-N277 VanDerWaalsContact O-CG 3.24Å; T273-N277 PolarHBondContact O-N 2.68Å; T273-N277 PolarHBondContact O-OD1 2.84Å
274	L	90.8	Very high	87.4	Confident	97 Å²	97	103.2 Å²	103.2	51%	0.508	50%	0.503	S	S	.	.	H	α-helix	trans	-62.3	-44.8	177.6	-177.1	63.8	0	0	0	112.1	E270 Y271 N277 K278	E270-L274 WeakPolarHBondContact O-CB 3.47Å; E270-L274 PolarHBondContact O-N 2.75Å; Y271-L274 PolarHBondContact O-N 3.42Å; L274-N277 PolarHBondContact O-N 3.3Å; L274-K278 WeakPolarHBondContact O-CG 3.4Å; L274-K278 PolarHBondContact O-N 3.26Å
275	V	86.6	Confident	87.7	Confident	52 Å²	52	101.6 Å²	101.6	32%	0.315	50%	0.497	S	S	.	.	H	α-helix	trans	-60.5	-46.4	176	170.2	0	0	0	0	110.5	Y271 N277 K278 E279	Y271-V275 HydrophobicContact CD1-CG2 4.01Å; Y271-V275 HydrophobicContact CE1-CG2 3.67Å; Y271-V275 VanDerWaalsContact O-CG2 3.3Å; Y271-V275 WeakPolarHBondContact O-CG2 3.48Å; Y271-V275 PolarHBondContact O-N 3.18Å; V275-N277 VanDerWaalsContact C-N 3.35Å; V275-N277 PolarHBondContact O-N 3.05Å; V275-K278 PolarHBondContact O-N 3.28Å; V275-E279 HydrophobicContact CG1-CG 4.32Å; V275-E279 WeakPolarHBondContact O-CG 3.36Å; V275-E279 PolarHBondContact O-N 2.9Å
276	S	90.9	Very high	87.6	Confident	49 Å²	49	103.1 Å²	103.1	34%	0.343	50%	0.497	S	S	.	.	H	α-helix	trans	-60.6	-42.7	178.5	-174.2	0	0	0	0	112.5	R272 T273 K278 E279 Q280	R272-S276 WeakPolarHBondContact O-CB 3.41Å; R272-S276 PolarHBondContact O-N 3Å; T273-S276 PolarHBondContact O-N 2.82Å; S276-K278 VanDerWaalsContact C-N 3.33Å; S276-K278 PolarHBondContact O-N 2.88Å; S276-E279 PolarHBondContact O-N 3.32Å; S276-Q280 WeakPolarHBondContact O-CG 3.31Å; S276-Q280 PolarHBondContact O-N 2.81Å
277	N	92	Very high	87.7	Confident	86 Å²	86	102.7 Å²	102.7	46%	0.46	50%	0.497	S	S	.	.	H	α-helix	trans	-63	-40.8	176.5	-68.9	-10.4	0	0	0	111.6	T273 L274 V275 Q280 E281	T273-N277 VanDerWaalsContact O-CG 3.24Å; T273-N277 PolarHBondContact O-N 2.68Å; T273-N277 PolarHBondContact O-OD1 2.84Å; L274-N277 PolarHBondContact O-N 3.3Å; V275-N277 VanDerWaalsContact C-N 3.35Å; V275-N277 PolarHBondContact O-N 3.05Å; N277-Q280 PolarHBondContact O-N 3.1Å; N277-E281 PolarHBondContact O-N 2.81Å
278	K	89.4	Confident	87.9	Confident	108 Å²	108	103.1 Å²	103.1	47%	0.47	50%	0.497	S	S	.	.	H	α-helix	trans	-69.6	-35.9	177.7	-70	-72	159.7	-159	0	112.2	L274 V275 S276 E281 I282	L274-K278 WeakPolarHBondContact O-CG 3.4Å; L274-K278 PolarHBondContact O-N 3.26Å; V275-K278 PolarHBondContact O-N 3.28Å; S276-K278 VanDerWaalsContact C-N 3.33Å; S276-K278 PolarHBondContact O-N 2.88Å; K278-E281 IonicContact NZ-OE2 2.72Å; K278-E281 PolarHBondContact NZ-OE2 2.85Å; K278-E281 PolarHBondContact O-N 2.87Å; K278-I282 WeakPolarHBondContact O-CD1 3.36Å; K278-I282 VanDerWaalsContact O-CG1 3.24Å; K278-I282 WeakPolarHBondContact O-CG1 3.43Å; K278-I282 PolarHBondContact O-N 2.92Å
279	E	87.6	Confident	88	Confident	118 Å²	118	102.4 Å²	102.4	55%	0.551	50%	0.497	S	S	*	.	H	α-helix	trans	-63.9	-41.2	173	-74.6	176.6	166.8	0	0	111.8	V275 S276 I282 T283	V275-E279 HydrophobicContact CG1-CG 4.32Å; V275-E279 WeakPolarHBondContact O-CG 3.36Å; V275-E279 PolarHBondContact O-N 2.9Å; S276-E279 PolarHBondContact O-N 3.32Å; E279-I282 PolarHBondContact O-N 3.07Å; E279-T283 WeakPolarHBondContact O-CG2 3.25Å; E279-T283 PolarHBondContact O-N 2.81Å
280	Q	88.3	Confident	88.2	Confident	105 Å²	105	104.8 Å²	104.8	49%	0.491	50%	0.502	S	S	.	.	H	α-helix	trans	-62	-47.6	174.7	-72.2	174.6	6.7	0	0	111.7	S276 N277 I282 T283 E284	S276-Q280 WeakPolarHBondContact O-CG 3.31Å; S276-Q280 PolarHBondContact O-N 2.81Å; N277-Q280 PolarHBondContact O-N 3.1Å; Q280-I282 VanDerWaalsContact C-N 3.27Å; Q280-I282 PolarHBondContact O-N 3.49Å; Q280-T283 WeakPolarHBondContact CA-OG1 3.26Å; Q280-T283 PolarHBondContact O-N 3.09Å; Q280-T283 PolarHBondContact O-OG1 3.41Å; Q280-E284 PolarHBondContact O-N 3.42Å
281	E	89.9	Confident	88.2	Confident	90 Å²	90	100.5 Å²	100.5	42%	0.421	49%	0.485	S	S	.	.	H	α-helix	trans	-57.3	-41.3	176.3	-171	179.7	179.9	0	0	111.5	N277 K278 T283 E284 I285	N277-E281 PolarHBondContact O-N 2.81Å; K278-E281 IonicContact NZ-OE2 2.72Å; K278-E281 PolarHBondContact NZ-OE2 2.85Å; K278-E281 PolarHBondContact O-N 2.87Å; E281-T283 PolarHBondContact O-N 2.9Å; E281-E284 PolarHBondContact O-N 2.69Å; E281-I285 HydrophobicContact CG-CD1 4.24Å; E281-I285 VanDerWaalsContact O-CG1 3.28Å; E281-I285 WeakPolarHBondContact O-CG1 3.49Å; E281-I285 PolarHBondContact O-N 3.1Å
282	I	80.5	Confident	88.3	Confident	86 Å²	86	97.7 Å²	97.7	44%	0.441	48%	0.48	S	S	.	.	H	α-helix	trans	-64.3	-39	175.3	-69.5	165.5	0	0	0	111.5	K278 E279 Q280 R286	K278-I282 WeakPolarHBondContact O-CD1 3.36Å; K278-I282 VanDerWaalsContact O-CG1 3.24Å; K278-I282 WeakPolarHBondContact O-CG1 3.43Å; K278-I282 PolarHBondContact O-N 2.92Å; E279-I282 PolarHBondContact O-N 3.07Å; Q280-I282 VanDerWaalsContact C-N 3.27Å; Q280-I282 PolarHBondContact O-N 3.49Å; I282-R286 VanDerWaalsContact O-CG 3.27Å; I282-R286 WeakPolarHBondContact O-CG 3.29Å; I282-R286 PolarHBondContact O-N 2.92Å
283	T	87.5	Confident	88.2	Confident	81 Å²	81	95 Å²	95	50%	0.497	47%	0.474	S	S	.	.	H	α-helix	trans	-67	-40.9	177.6	54.5	0	0	0	0	112.7	E279 Q280 E281 R286 E287	E279-T283 WeakPolarHBondContact O-CG2 3.25Å; E279-T283 PolarHBondContact O-N 2.81Å; Q280-T283 WeakPolarHBondContact CA-OG1 3.26Å; Q280-T283 PolarHBondContact O-N 3.09Å; Q280-T283 PolarHBondContact O-OG1 3.41Å; E281-T283 PolarHBondContact O-N 2.9Å; T283-R286 WeakPolarHBondContact O-CB 3.49Å; T283-R286 PolarHBondContact O-N 3.12Å; T283-E287 PolarHBondContact O-N 3.35Å
284	E	91	Very high	87.6	Confident	114 Å²	114	97.3 Å²	97.3	53%	0.533	47%	0.474	S	S	.	.	H	α-helix	trans	-62.3	-44.9	176.1	-70.7	179.8	-175.5	0	0	111.2	Q280 E281 R286 E287 Q288	Q280-E284 PolarHBondContact O-N 3.42Å; E281-E284 PolarHBondContact O-N 2.69Å; E284-R286 VanDerWaalsContact C-N 3.31Å; E284-R286 PolarHBondContact O-N 2.79Å; E284-E287 PolarHBondContact O-N 2.81Å; E284-Q288 WeakPolarHBondContact O-CG 3.33Å; E284-Q288 PolarHBondContact O-N 2.83Å
285	I	88.5	Confident	87.2	Confident	86 Å²	86	98.6 Å²	98.6	44%	0.441	48%	0.476	S	S	.	.	H	α-helix	trans	-61.5	-41.7	176.4	-67.9	167.7	0	0	0	110.6	E281 E287 Q288 V289	E281-I285 HydrophobicContact CG-CD1 4.24Å; E281-I285 VanDerWaalsContact O-CG1 3.28Å; E281-I285 WeakPolarHBondContact O-CG1 3.49Å; E281-I285 PolarHBondContact O-N 3.1Å; I285-E287 PolarHBondContact O-N 3.25Å; I285-Q288 PolarHBondContact O-N 2.95Å; I285-V289 HydrophobicContact CG2-CG2 4.37Å; I285-V289 WeakPolarHBondContact O-CB 3.12Å; I285-V289 VanDerWaalsContact O-CG2 3.27Å; I285-V289 WeakPolarHBondContact O-CG2 3.19Å; I285-V289 PolarHBondContact O-N 2.84Å
286	R	88.5	Confident	86.9	Confident	170 Å²	170	101 Å²	101	64%	0.642	49%	0.485	S	S	*	.	H	α-helix	trans	-61.2	-43.9	176.5	-75.4	174	-177.7	-167.8	3.3	111.7	I282 T283 E284 Q288 V289 E290	I282-R286 VanDerWaalsContact O-CG 3.27Å; I282-R286 WeakPolarHBondContact O-CG 3.29Å; I282-R286 PolarHBondContact O-N 2.92Å; T283-R286 WeakPolarHBondContact O-CB 3.49Å; T283-R286 PolarHBondContact O-N 3.12Å; E284-R286 VanDerWaalsContact C-N 3.31Å; E284-R286 PolarHBondContact O-N 2.79Å; R286-Q288 PolarHBondContact O-N 2.97Å; R286-V289 PolarHBondContact O-N 3.4Å; R286-E290 WeakPolarHBondContact O-CG 3.47Å; R286-E290 PolarHBondContact O-N 3.06Å
287	E	90.4	Very high	86	Confident	127 Å²	127	105.6 Å²	105.6	59%	0.593	50%	0.499	S	S	*	.	H	α-helix	trans	-64.9	-39.2	178.3	-171.1	177	-173.5	0	0	112.3	T283 E284 I285 E290 T291	T283-E287 PolarHBondContact O-N 3.35Å; E284-E287 PolarHBondContact O-N 2.81Å; I285-E287 PolarHBondContact O-N 3.25Å; E287-E290 PolarHBondContact O-N 3.38Å; E287-T291 WeakPolarHBondContact O-CB 3.5Å; E287-T291 PolarHBondContact O-N 3.42Å; E287-T291 PolarHBondContact O-OG1 3.41Å
288	Q	89.6	Confident	84.5	Confident	120 Å²	120	107.3 Å²	107.3	56%	0.561	50%	0.504	S	S	*	.	H	α-helix	trans	-63.3	-45.6	174	-71.6	178.6	13.7	0	0	111.4	E284 I285 R286 E290 T291 L292	E284-Q288 WeakPolarHBondContact O-CG 3.33Å; E284-Q288 PolarHBondContact O-N 2.83Å; I285-Q288 PolarHBondContact O-N 2.95Å; R286-Q288 PolarHBondContact O-N 2.97Å; Q288-E290 PolarHBondContact O-N 3.08Å; Q288-T291 PolarHBondContact O-N 3.14Å; Q288-L292 WeakPolarHBondContact O-CG 3.49Å; Q288-L292 PolarHBondContact O-N 3.28Å
289	V	88.8	Confident	82.9	Confident	67 Å²	67	108.4 Å²	108.4	41%	0.406	51%	0.511	S	S	.	.	H	α-helix	trans	-61.4	-43	176.9	170.6	0	0	0	0	111	I285 R286 T291 L292 Q293	I285-V289 HydrophobicContact CG2-CG2 4.37Å; I285-V289 WeakPolarHBondContact O-CB 3.12Å; I285-V289 VanDerWaalsContact O-CG2 3.27Å; I285-V289 WeakPolarHBondContact O-CG2 3.19Å; I285-V289 PolarHBondContact O-N 2.84Å; R286-V289 PolarHBondContact O-N 3.4Å; V289-T291 VanDerWaalsContact C-N 3.33Å; V289-T291 PolarHBondContact O-N 3.35Å; V289-L292 PolarHBondContact O-N 2.98Å; V289-Q293 HydrophobicContact CG1-CG 4.45Å; V289-Q293 WeakPolarHBondContact O-CB 3.14Å; V289-Q293 WeakPolarHBondContact O-CG 3.07Å; V289-Q293 PolarHBondContact O-N 3.47Å
290	E	87.8	Confident	81.3	Confident	114 Å²	114	108.4 Å²	108.4	53%	0.533	51%	0.514	S	S	.	.	H	α-helix	trans	-63.2	-39.4	175.6	-77	-173.9	-177.4	0	0	112.6	R286 E287 Q288 Q293 R294	R286-E290 WeakPolarHBondContact O-CG 3.47Å; R286-E290 PolarHBondContact O-N 3.06Å; E287-E290 PolarHBondContact O-N 3.38Å; Q288-E290 PolarHBondContact O-N 3.08Å; E290-Q293 PolarHBondContact O-N 2.91Å; E290-R294 PolarHBondContact O-N 2.82Å
291	T	88.2	Confident	79.6	Confident	43 Å²	43	106.6 Å²	106.6	26%	0.264	51%	0.513	S	S	.	.	H	α-helix	trans	-64.3	-42.9	176.8	-58.8	0	0	0	0	111	E287 Q288 V289 R294 K295	E287-T291 WeakPolarHBondContact O-CB 3.5Å; E287-T291 PolarHBondContact O-N 3.42Å; E287-T291 PolarHBondContact O-OG1 3.41Å; Q288-T291 PolarHBondContact O-N 3.14Å; V289-T291 VanDerWaalsContact C-N 3.33Å; V289-T291 PolarHBondContact O-N 3.35Å; T291-R294 PolarHBondContact O-N 3.09Å; T291-R294 PolarHBondContact OG1-NH2 2.96Å; T291-K295 WeakPolarHBondContact O-CG 3.21Å; T291-K295 PolarHBondContact O-N 3.45Å
292	L	83.9	Confident	77.6	Confident	100 Å²	100	108.7 Å²	108.7	52%	0.524	53%	0.528	S	S	.	.	H	α-helix	trans	-64.8	-43.3	174.4	-70.3	172	0	0	0	111.7	Q288 V289 R294 K295 I296	Q288-L292 WeakPolarHBondContact O-CG 3.49Å; Q288-L292 PolarHBondContact O-N 3.28Å; V289-L292 PolarHBondContact O-N 2.98Å; L292-R294 VanDerWaalsContact C-N 3.31Å; L292-R294 PolarHBondContact O-N 3.33Å; L292-K295 PolarHBondContact O-N 2.96Å; L292-I296 WeakPolarHBondContact O-CG1 3.27Å; L292-I296 PolarHBondContact O-N 2.93Å
293	Q	83.6	Confident	75.7	Confident	102 Å²	102	109.6 Å²	109.6	48%	0.477	54%	0.54	S	S	.	.	H	α-helix	trans	-60.4	-39.3	174.7	-76.1	-179.2	-1.3	0	0	112.3	V289 E290 I296 K297	V289-Q293 HydrophobicContact CG1-CG 4.45Å; V289-Q293 WeakPolarHBondContact O-CB 3.14Å; V289-Q293 WeakPolarHBondContact O-CG 3.07Å; V289-Q293 PolarHBondContact O-N 3.47Å; E290-Q293 PolarHBondContact O-N 2.91Å; Q293-I296 PolarHBondContact O-N 3.4Å; Q293-K297 WeakPolarHBondContact O-CG 3.27Å; Q293-K297 PolarHBondContact O-N 2.81Å
294	R	76.3	Confident	73.1	Confident	128 Å²	128	110.2 Å²	110.2	48%	0.483	55%	0.547	S	S	.	.	H	α-helix	trans	-63.6	-44.1	174.3	-82.6	-174.6	-83.1	109.3	-1.5	112	E290 T291 L292 K297 H298	E290-R294 PolarHBondContact O-N 2.82Å; T291-R294 PolarHBondContact O-N 3.09Å; T291-R294 PolarHBondContact OG1-NH2 2.96Å; L292-R294 VanDerWaalsContact C-N 3.31Å; L292-R294 PolarHBondContact O-N 3.33Å; R294-K297 PolarHBondContact O-N 2.87Å; R294-H298 PolarHBondContact O-N 3.19Å; R294-H298 PolarHBondContact O-ND1 2.84Å
295	K	82	Confident	70.4	Confident	125 Å²	125	112.2 Å²	112.2	54%	0.543	56%	0.561	S	S	.	*	H	α-helix	trans	-60.4	-45.9	175.7	-72.6	-179.5	178.1	-175	0	111.4	T291 L292 K297 H298 H299	T291-K295 WeakPolarHBondContact O-CG 3.21Å; T291-K295 PolarHBondContact O-N 3.45Å; L292-K295 PolarHBondContact O-N 2.96Å; K295-K297 PolarHBondContact O-N 3.13Å; K295-H298 PolarHBondContact O-N 2.77Å; K295-H299 PolarHBondContact O-CD2 3.49Å; K295-H299 PolarHBondContact O-N 3.1Å
296	I	79.9	Confident	68	Low	102 Å²	102	112.9 Å²	112.9	52%	0.523	57%	0.573	S	S	.	*	H	α-helix	trans	-61.5	-43.6	177.1	-66.7	166.2	0	0	0	111.2	L292 Q293 H298 H299 N300	L292-I296 WeakPolarHBondContact O-CG1 3.27Å; L292-I296 PolarHBondContact O-N 2.93Å; Q293-I296 PolarHBondContact O-N 3.4Å; I296-H298 PolarHBondContact O-N 3.24Å; I296-H299 PolarHBondContact O-N 2.89Å; I296-N300 PolarHBondContact O-N 3.45Å
297	K	71.6	Confident	65.3	Low	146 Å²	146	112.7 Å²	112.7	64%	0.635	58%	0.582	S	S	*	*	H	α-helix	trans	-62.9	-39.3	176.6	-75.9	179.6	-179.1	177.7	0	112.7	Q293 R294 K295 N300 S301	Q293-K297 WeakPolarHBondContact O-CG 3.27Å; Q293-K297 PolarHBondContact O-N 2.81Å; R294-K297 PolarHBondContact O-N 2.87Å; K295-K297 PolarHBondContact O-N 3.13Å; K297-N300 PolarHBondContact O-N 3.11Å; K297-S301 PolarHBondContact O-N 3.25Å
298	H	62.1	Low	62.5	Low	121 Å²	121	114.5 Å²	114.5	56%	0.56	60%	0.596	S	S	*	*	H	α-helix	trans	-65.7	-39.4	175.8	-80.4	57.5	0	0	0	111.9	R294 K295 I296 N300 S301 N302	R294-H298 PolarHBondContact O-N 3.19Å; R294-H298 PolarHBondContact O-ND1 2.84Å; K295-H298 PolarHBondContact O-N 2.77Å; I296-H298 PolarHBondContact O-N 3.24Å; H298-N300 VanDerWaalsContact C-N 3.31Å; H298-N300 PolarHBondContact O-N 2.96Å; H298-S301 PolarHBondContact O-N 2.74Å; H298-S301 PolarHBondContact O-OG 3.47Å; H298-N302 WeakPolarHBondContact O-CB 3.25Å; H298-N302 PolarHBondContact O-N 2.93Å
299	H	54.7	Low	59.6	Low	132 Å²	132	114.1 Å²	114.1	61%	0.611	61%	0.606	S	S	*	*	H	α-helix	trans	-64	-37.9	173.5	-78	-66.1	0	0	0	112	K295 I296 C303	K295-H299 PolarHBondContact O-CD2 3.49Å; K295-H299 PolarHBondContact O-N 3.1Å; I296-H299 PolarHBondContact O-N 2.89Å; H299-C303 WeakPolarHBondContact O-CB 3.33Å; H299-C303 PolarHBondContact O-N 2.83Å
300	N	54.8	Low	56.8	Low	117 Å²	117	116.4 Å²	116.4	63%	0.626	62%	0.622	S	S	*	*	H	α-helix	trans	-73.8	-34.2	177.2	-75.6	-7.8	0	0	0	113.4	I296 K297 H298 C303	I296-N300 PolarHBondContact O-N 3.45Å; K297-N300 PolarHBondContact O-N 3.11Å; H298-N300 VanDerWaalsContact C-N 3.31Å; H298-N300 PolarHBondContact O-N 2.96Å; N300-C303 PolarHBondContact O-N 3.44Å
301	S	52.6	Low	53.9	Low	67 Å²	67	118 Å²	118	47%	0.469	63%	0.633	S	S	.	*	H	α-helix	trans	-76.3	-27.1	174.9	70.3	0	0	0	0	113.1	K297 H298 C303 C304	K297-S301 PolarHBondContact O-N 3.25Å; H298-S301 PolarHBondContact O-N 2.74Å; H298-S301 PolarHBondContact O-OG 3.47Å; S301-C303 PolarHBondContact O-N 2.54Å; S301-C304 PolarHBondContact O-SG 2.88Å
302	N	47.9	Very low	51.2	Low	135 Å²	135	123.6 Å²	123.6	72%	0.722	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-1.9	172.4	-71.8	-0.3	0	0	0	112.7	H298	H298-N302 WeakPolarHBondContact O-CB 3.25Å; H298-N302 PolarHBondContact O-N 2.93Å
303	C	39.1	Very low	48.6	Very low	105 Å²	105	123.4 Å²	123.4	71%	0.709	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	5.9	179.3	-156.3	0	0	0	0	114	H299 N300 S301	H299-C303 WeakPolarHBondContact O-CB 3.33Å; H299-C303 PolarHBondContact O-N 2.83Å; N300-C303 PolarHBondContact O-N 3.44Å; S301-C303 PolarHBondContact O-N 2.54Å
304	C	33.9	Very low	46	Very low	93 Å²	93	127.6 Å²	127.6	63%	0.628	68%	0.681	S	S	*	*	S	Bend	trans	-98.7	-0.6	-179.6	53.7	0	0	0	0	116.6	S301	S301-C304 PolarHBondContact O-SG 2.88Å
305	D	33.8	Very low	43.6	Very low	156 Å²	156	130.3 Å²	130.3	83%	0.834	70%	0.697	S	S	*	*	S	Bend	trans	-116.8	55.9	179.4	-75.5	-23	0	0	0	113.5
306	S	37.9	Very low	41.2	Very low	100 Å²	100	134.4 Å²	134.4	70%	0.699	72%	0.715	S	S	*	*	S	Bend	trans	-171	115.5	144.3	64.4	0	0	0	0	112.3
307	M	32.8	Very low	38.5	Very low	166 Å²	166	135.3 Å²	135.3	82%	0.818	73%	0.725	S	S	*	*			trans	57.6	86.2	146.7	-49.8	-56	177	0	0	115.5	S309	M307-S309 PolarHBondContact O-N 2.87Å
308	N	30.6	Very low	36.4	Very low	165 Å²	165	134.7 Å²	134.7	88%	0.882	73%	0.729	S	S	*	*				29.7	81.7	80.8	-78.9	-18.6	0	0	0	113.5
309	S	29.2	Very low	34.8	Very low	113 Å²	113	133.8 Å²	133.8	79%	0.79	74%	0.736	S	S	*	*			trans	-135	121.1	146.8	-69.7	0	0	0	0	108.2	M307	M307-S309 PolarHBondContact O-N 2.87Å
310	P	30.1	Very low	33.6	Very low	114 Å²	114	134.8 Å²	134.8	74%	0.74	74%	0.744	S	S	*	*			trans	-85.9	138.2	-161.3	34	-34.4	0	0	0	112.6
311	I	27.9	Very low	32.2	Very low	149 Å²	149	137.1 Å²	137.1	76%	0.764	76%	0.757	S	S	*	*				30.4	103.3	126	-50.9	170.1	0	0	0	115.5
312	I	29.7	Very low	31.3	Very low	160 Å²	160	140.8 Å²	140.8	82%	0.821	77%	0.77	S	S	*	*			trans	-137.1	112.7	132.5	-58.1	-176.3	0	0	0	108.8
313	P	29.8	Very low	30.5	Very low	96 Å²	96	139.1 Å²	139.1	62%	0.623	77%	0.769	S	S	*	*			trans	-91.6	146	175.1	35.1	-29.3	0	0	0	110.1
314	K	28.8	Very low	29.8	Very low	189 Å²	189	141.1 Å²	141.1	82%	0.822	77%	0.772	S	S	*	*			trans	-171.2	122.7	152.2	-104.6	150.6	-169.4	-178.8	0	112.7
315	K	27	Very low	29.5	Very low	186 Å²	186	143.1 Å²	143.1	81%	0.809	78%	0.777	S	S	*	*			trans	76.8	90.8	149.2	-58.9	-178.5	177	-171.3	0	118
316	F	30.4	Very low	29.4	Very low	210 Å²	210	145.3 Å²	145.3	92%	0.921	78%	0.775	S	S	*	*				-155.2	73	129	-134.8	-93.6	0	0	0	109
317	T	24.2	Very low	29	Very low	121 Å²	121	147 Å²	147	74%	0.742	78%	0.775	S	S	*	*			trans	-102.3	117.4	156	52.5	0	0	0	0	104.5
318	D	26.8	Very low	28.9	Very low	133 Å²	133	145 Å²	145	71%	0.711	77%	0.773	S	S	*	*			trans	171.8	115.3	136	-79	-13	0	0	0	108.8
319	S	28.6	Very low	28.9	Very low	103 Å²	103	144.7 Å²	144.7	72%	0.72	77%	0.771	S	S	*	*			trans	64.6	97	136.5	-48.9	0	0	0	0	118.4
320	I	30.4	Very low	29.2	Very low	152 Å²	152	142.8 Å²	142.8	78%	0.779	76%	0.758	S	S	*	*				-147.3	92.7	126.3	-78.5	120.7	0	0	0	106.5	I322	I320-I322 HydrophobicContact CG2-CB 4.48Å; I320-I322 HydrophobicContact CG2-CD1 3.59Å; I320-I322 HydrophobicContact CG2-CG1 3.62Å
321	D	25.8	Very low	29.5	Very low	167 Å²	167	146.4 Å²	146.4	89%	0.893	76%	0.762	S	S	*	*			trans	-72.9	112	154.7	-87.4	-39.1	0	0	0	107.1
322	I	33.4	Very low	30	Very low	144 Å²	144	144 Å²	144	74%	0.738	76%	0.758	S	S	*	*			trans	-119	97.2	159	-67.3	169.2	0	0	0	107.7	I320	I320-I322 HydrophobicContact CG2-CB 4.48Å; I320-I322 HydrophobicContact CG2-CD1 3.59Å; I320-I322 HydrophobicContact CG2-CG1 3.62Å
323	S	31.3	Very low	30.4	Very low	99 Å²	99	139.3 Å²	139.3	69%	0.692	74%	0.74	S	S	*	*			trans	-33	126.2	154.8	45.4	0	0	0	0	114.4
324	N	24.7	Very low	30.7	Very low	148 Å²	148	139.6 Å²	139.6	79%	0.791	74%	0.739	S	S	*	*			trans	19.8	105.1	133.1	-64.4	-20.4	0	0	0	116.9
325	N	27.6	Very low	31.1	Very low	135 Å²	135	136.3 Å²	136.3	72%	0.722	73%	0.73	S	S	*	*				171.8	154.9	120.3	-92.2	-22.6	0	0	0	110.4
326	Y	30.9	Very low	31.8	Very low	202 Å²	202	131.4 Å²	131.4	79%	0.792	72%	0.718	S	S	*	*			trans	99.7	97.9	167.1	-50.6	-70.7	0	0	0	117.7
327	L	29.4	Very low	32	Very low	136 Å²	136	127.1 Å²	127.1	71%	0.712	71%	0.705	S	S	*	*				61.7	106.8	128.7	-82.3	87.7	0	0	0	119.9	D329	L327-D329 PolarHBondContact O-N 3.05Å
328	T	30.4	Very low	32.6	Very low	124 Å²	124	127.7 Å²	127.7	76%	0.761	70%	0.699	S	S	*	*				20	90.2	113.4	60.2	0	0	0	0	116.9
329	D	31.3	Very low	33.2	Very low	157 Å²	157	129.1 Å²	129.1	84%	0.84	70%	0.695	S	S	*	*			trans	-173.7	-2.2	133	-120.3	-11.9	0	0	0	114.7	L327 K331	L327-D329 PolarHBondContact O-N 3.05Å; D329-K331 PolarHBondContact O-N 2.94Å
330	S	34.6	Very low	33.9	Very low	74 Å²	74	131.6 Å²	131.6	52%	0.517	70%	0.695	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.2	18.8	-170.1	47.1	0	0	0	0	115.6	S332 S333 V334	S330-S332 PolarHBondContact O-N 3.34Å; S330-S333 PolarHBondContact O-N 2.64Å; S330-V334 PolarHBondContact O-N 3.18Å
331	K	37.4	Very low	34.5	Very low	190 Å²	190	133.5 Å²	133.5	83%	0.826	69%	0.694	S	S	*	*	H	α-helix	trans	-67.2	-24.6	173.3	-81.2	-169.6	177.5	-177.3	0	113	D329 S333	D329-K331 PolarHBondContact O-N 2.94Å; K331-S333 VanDerWaalsContact C-N 3.33Å
332	S	37.4	Very low	35.1	Very low	97 Å²	97	131.5 Å²	131.5	68%	0.678	68%	0.683	S	S	*	*	H	α-helix	trans	-74.5	-24.2	169.9	-161.3	0	0	0	0	112.7	S330	S330-S332 PolarHBondContact O-N 3.34Å
333	S	38	Very low	35.5	Very low	63 Å²	63	131 Å²	131	44%	0.441	68%	0.681	S	S	.	*	H	α-helix	trans	-82.3	-24.5	179.4	-54.5	0	0	0	0	113.2	S330 K331 I335 S336 L337	S330-S333 PolarHBondContact O-N 2.64Å; K331-S333 VanDerWaalsContact C-N 3.33Å; S333-I335 VanDerWaalsContact C-N 3.3Å; S333-I335 PolarHBondContact O-N 2.72Å; S333-S336 PolarHBondContact O-N 2.8Å; S333-L337 PolarHBondContact O-N 3.43Å
334	V	36.6	Very low	36	Very low	101 Å²	101	134 Å²	134	61%	0.612	69%	0.685	S	S	*	*	H	α-helix	trans	-67	-35.4	174.5	-176.7	0	0	0	0	110.9	S330 S336 H338	S330-V334 PolarHBondContact O-N 3.18Å; V334-S336 VanDerWaalsContact C-N 3.31Å; V334-H338 PolarHBondContact O-N 2.96Å
335	I	36.6	Very low	37	Very low	121 Å²	121	132.2 Å²	132.2	62%	0.621	68%	0.675	S	S	*	*	H	α-helix	trans	-67.8	-35.9	174	-60.2	176.9	0	0	0	110.3	S333	S333-I335 VanDerWaalsContact C-N 3.3Å; S333-I335 PolarHBondContact O-N 2.72Å
336	S	41.5	Very low	37.9	Very low	82 Å²	82	135.2 Å²	135.2	57%	0.573	68%	0.681	S	S	*	*	H	α-helix	trans	-76.7	-30.6	179.4	-151.7	0	0	0	0	113.8	S333 V334 H338 Y339	S333-S336 PolarHBondContact O-N 2.8Å; V334-S336 VanDerWaalsContact C-N 3.31Å; S336-H338 VanDerWaalsContact C-N 3.34Å; S336-Y339 PolarHBondContact O-N 3.2Å
337	L	35.1	Very low	38.6	Very low	121 Å²	121	133.2 Å²	133.2	63%	0.634	69%	0.685	S	S	*	*	H	α-helix	trans	-77.5	-18.3	178.2	-76.4	170.4	0	0	0	113.5	S333 Y339	S333-L337 PolarHBondContact O-N 3.43Å; L337-Y339 VanDerWaalsContact C-N 3.29Å
338	H	37.2	Very low	39.3	Very low	133 Å²	133	131.5 Å²	131.5	62%	0.616	67%	0.673	S	S	*	*	H	α-helix	trans	-75.4	-19.6	173.6	-159.6	62.3	0	0	0	112.9	V334 S336	V334-H338 PolarHBondContact O-N 2.96Å; S336-H338 VanDerWaalsContact C-N 3.34Å
339	Y	40	Very low	40.4	Very low	162 Å²	162	129 Å²	129	64%	0.635	66%	0.661	S	S	*	*	H	α-helix	trans	-79	-24.8	-179.9	-92.2	-79.6	0	0	0	114.3	S336 L337	S336-Y339 PolarHBondContact O-N 3.2Å; L337-Y339 VanDerWaalsContact C-N 3.29Å
340	E	41.9	Very low	41.5	Very low	156 Å²	156	129.3 Å²	129.3	73%	0.729	66%	0.661	S	S	*	*	H	α-helix	trans	-85.7	-20.9	-176.1	-89.3	-175.7	157.1	0	0	114.7
341	Y	44	Very low	42.6	Very low	191 Å²	191	131.6 Å²	131.6	75%	0.749	66%	0.664	S	S	*	*	H	α-helix	trans	-82	-22.9	-174.3	-160.7	-101.5	0	0	0	114.4
342	L	38.4	Very low	43.6	Very low	125 Å²	125	127 Å²	127	65%	0.654	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-92.5	-0.4	-170.9	-71.2	170.7	0	0	0	115.4	Q344	L342-Q344 VanDerWaalsContact C-N 3.29Å; L342-Q344 PolarHBondContact O-N 2.87Å
343	N	41.2	Very low	44.7	Very low	133 Å²	133	127.2 Å²	127.2	71%	0.711	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-84.2	9.9	-179.8	-91.3	-10.1	0	0	0	115.1
344	Q	42.6	Very low	46.2	Very low	164 Å²	164	127.7 Å²	127.7	77%	0.766	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-94.7	-9.5	-175.5	-72.9	-166.3	-2.4	0	0	116.6	L342	L342-Q344 VanDerWaalsContact C-N 3.29Å; L342-Q344 PolarHBondContact O-N 2.87Å
345	N	45.1	Very low	47.9	Very low	109 Å²	109	129.3 Å²	129.3	58%	0.583	64%	0.638	S	S	*	*			trans	-108.2	83.4	-179.2	-71.1	-8	0	0	0	112.1	N347	N345-N347 PolarHBondContact O-N 2.8Å
346	K	45.5	Very low	50.1	Low	198 Å²	198	129.2 Å²	129.2	86%	0.861	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	5.1	-178.4	-98.5	-179.2	177.8	177.4	0	116.5
347	N	45.9	Very low	51.8	Low	160 Å²	160	130.4 Å²	130.4	86%	0.856	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.7	13.3	-169.5	-73.5	-21.4	0	0	0	115.3	N345	N345-N347 PolarHBondContact O-N 2.8Å
348	E	44.7	Very low	53.8	Low	100 Å²	100	130.2 Å²	130.2	47%	0.467	63%	0.628	S	S	.	*			trans	-100.8	102.5	-176.9	-70.2	-179.6	174.8	0	0	111.9	Q352	E348-Q352 VanDerWaalsContact CB-CD 3.45Å; E348-Q352 HydrophobicContact CB-CG 4.45Å; E348-Q352 VanDerWaalsContact CB-OE1 3.27Å; E348-Q352 PolarHBondContact OE2-NE2 3.27Å
349	S	54.1	Low	55.6	Low	73 Å²	73	129.3 Å²	129.3	51%	0.51	63%	0.627	S	S	.	*			trans	33.8	124	151.5	-153.3	0	0	0	0	118.2	E351 Q352	S349-E351 PolarHBondContact O-N 2.99Å; S349-Q352 PolarHBondContact O-N 2.77Å
350	L	54.8	Low	57.5	Low	162 Å²	162	127.6 Å²	127.6	85%	0.848	63%	0.625	S	S	*	*	H	α-helix	trans	-38.6	-26	169.3	-105.9	116.7	0	0	0	115.5	S354	L350-S354 PolarHBondContact O-N 2.89Å
351	E	56.5	Low	59.4	Low	122 Å²	122	124.8 Å²	124.8	57%	0.57	62%	0.615	S	S	*	*	H	α-helix	trans	-61.8	-39.9	172.7	-82.1	-178.4	139.8	0	0	113.9	S349 D353 S354 Y355	S349-E351 PolarHBondContact O-N 2.99Å; E351-D353 VanDerWaalsContact C-N 3.33Å; E351-D353 PolarHBondContact O-N 2.97Å; E351-S354 WeakPolarHBondContact O-CB 3.25Å; E351-S354 PolarHBondContact O-N 3.12Å; E351-S354 VanDerWaalsContact O-N 3.14Å; E351-Y355 HydrophobicContact CB-CD2 4.42Å; E351-Y355 HydrophobicContact CB-CE2 4.08Å; E351-Y355 WeakPolarHBondContact O-CD2 3.35Å; E351-Y355 PolarHBondContact O-N 2.85Å
352	Q	58.4	Low	61.3	Low	94 Å²	94	119.2 Å²	119.2	44%	0.439	60%	0.601	S	S	.	*	H	α-helix	trans	-64.2	-39.2	-179.1	-72.3	-169.6	-5.9	0	0	112	E348 S349 S354 Y355 K356	E348-Q352 VanDerWaalsContact CB-CD 3.45Å; E348-Q352 HydrophobicContact CB-CG 4.45Å; E348-Q352 VanDerWaalsContact CB-OE1 3.27Å; E348-Q352 PolarHBondContact OE2-NE2 3.27Å; S349-Q352 PolarHBondContact O-N 2.77Å; Q352-S354 VanDerWaalsContact C-N 3.32Å; Q352-S354 PolarHBondContact O-N 3.38Å; Q352-Y355 PolarHBondContact O-N 2.67Å; Q352-K356 WeakPolarHBondContact O-CB 3.4Å; Q352-K356 PolarHBondContact O-N 3.25Å
353	D	61.7	Low	63.4	Low	102 Å²	102	118.1 Å²	118.1	55%	0.545	60%	0.595	S	S	.	*	H	α-helix	trans	-65.4	-36.2	174.4	-77.9	-28.4	0	0	0	111.7	E351 K356 I357	E351-D353 VanDerWaalsContact C-N 3.33Å; E351-D353 PolarHBondContact O-N 2.97Å; D353-K356 WeakPolarHBondContact O-CB 3.43Å; D353-K356 PolarHBondContact O-N 3.29Å; D353-I357 WeakPolarHBondContact O-CG1 3.34Å; D353-I357 PolarHBondContact O-N 3.44Å; D353-I357 VanDerWaalsContact O-N 3.11Å
354	S	68.8	Low	65.6	Low	72 Å²	72	114.8 Å²	114.8	50%	0.503	58%	0.582	S	S	.	*	H	α-helix	trans	-62.4	-48.5	173.2	-171.5	0	0	0	0	111.8	L350 E351 Q352 K356 I357 E358	L350-S354 PolarHBondContact O-N 2.89Å; E351-S354 WeakPolarHBondContact O-CB 3.25Å; E351-S354 PolarHBondContact O-N 3.12Å; E351-S354 VanDerWaalsContact O-N 3.14Å; Q352-S354 VanDerWaalsContact C-N 3.32Å; Q352-S354 PolarHBondContact O-N 3.38Å; S354-K356 VanDerWaalsContact C-N 3.28Å; S354-K356 PolarHBondContact O-N 2.9Å; S354-I357 PolarHBondContact O-N 2.82Å; S354-E358 PolarHBondContact O-N 3.28Å; S354-E358 VanDerWaalsContact O-N 3.08Å
355	Y	73.1	Confident	67.7	Low	135 Å²	135	111.2 Å²	111.2	53%	0.529	57%	0.567	S	S	.	*	H	α-helix	trans	-63.5	-34	177	-69.6	-61.8	0	0	0	112.3	E351 Q352 E358 L359	E351-Y355 HydrophobicContact CB-CD2 4.42Å; E351-Y355 HydrophobicContact CB-CE2 4.08Å; E351-Y355 WeakPolarHBondContact O-CD2 3.35Å; E351-Y355 PolarHBondContact O-N 2.85Å; Q352-Y355 PolarHBondContact O-N 2.67Å; Y355-E358 PolarHBondContact O-N 2.68Å; Y355-L359 WeakPolarHBondContact O-CB 3.12Å; Y355-L359 PolarHBondContact O-N 3.34Å
356	K	81.1	Confident	69.4	Low	120 Å²	120	110.4 Å²	110.4	52%	0.522	56%	0.563	S	S	.	*	H	α-helix	trans	-63.9	-42.8	176.3	-177	178.7	178.7	178.7	0	112.2	Q352 D353 S354 L359 Q360	Q352-K356 WeakPolarHBondContact O-CB 3.4Å; Q352-K356 PolarHBondContact O-N 3.25Å; D353-K356 WeakPolarHBondContact O-CB 3.43Å; D353-K356 PolarHBondContact O-N 3.29Å; S354-K356 VanDerWaalsContact C-N 3.28Å; S354-K356 PolarHBondContact O-N 2.9Å; K356-L359 PolarHBondContact O-N 2.85Å; K356-Q360 WeakPolarHBondContact O-CB 3.14Å; K356-Q360 PolarHBondContact O-N 2.92Å
357	I	76.9	Confident	71.3	Confident	107 Å²	107	103.7 Å²	103.7	55%	0.549	54%	0.544	S	S	.	.	H	α-helix	trans	-66	-42.9	176.2	-66.3	164.8	0	0	0	110.4	D353 S354 L359 Q360 N361	D353-I357 WeakPolarHBondContact O-CG1 3.34Å; D353-I357 PolarHBondContact O-N 3.44Å; D353-I357 VanDerWaalsContact O-N 3.11Å; S354-I357 PolarHBondContact O-N 2.82Å; I357-L359 PolarHBondContact O-N 3.07Å; I357-Q360 PolarHBondContact O-N 2.98Å; I357-N361 PolarHBondContact O-N 2.86Å
358	E	77.8	Confident	73.3	Confident	116 Å²	116	101.4 Å²	101.4	54%	0.542	53%	0.528	S	S	.	.	H	α-helix	trans	-61.8	-43.8	177.1	-165.2	174.5	-169.8	0	0	111.4	S354 Y355 Q360 N361 V362	S354-E358 PolarHBondContact O-N 3.28Å; S354-E358 VanDerWaalsContact O-N 3.08Å; Y355-E358 PolarHBondContact O-N 2.68Å; E358-Q360 VanDerWaalsContact C-N 3.31Å; E358-Q360 PolarHBondContact O-N 3.16Å; E358-N361 PolarHBondContact O-N 2.95Å; E358-V362 WeakPolarHBondContact O-CG2 3.47Å; E358-V362 PolarHBondContact O-N 3.32Å
359	L	75.8	Confident	75.3	Confident	114 Å²	114	103.5 Å²	103.5	60%	0.597	53%	0.531	S	S	*	.	H	α-helix	trans	-60	-41.2	175.2	-164	80.2	0	0	0	111.9	Y355 K356 I357 V362 L363	Y355-L359 WeakPolarHBondContact O-CB 3.12Å; Y355-L359 PolarHBondContact O-N 3.34Å; K356-L359 PolarHBondContact O-N 2.85Å; I357-L359 PolarHBondContact O-N 3.07Å; L359-V362 PolarHBondContact O-N 3.25Å; L359-L363 HydrophobicContact CG-CD1 4.49Å; L359-L363 WeakPolarHBondContact O-CG 3.16Å; L359-L363 PolarHBondContact O-N 3.23Å
360	Q	80.2	Confident	76.9	Confident	126 Å²	126	106.6 Å²	106.6	59%	0.589	54%	0.538	S	S	*	.	H	α-helix	trans	-65.5	-38.5	178.2	-167.4	174.1	5.2	0	0	112.2	K356 I357 E358 L363 S364	K356-Q360 WeakPolarHBondContact O-CB 3.14Å; K356-Q360 PolarHBondContact O-N 2.92Å; I357-Q360 PolarHBondContact O-N 2.98Å; E358-Q360 VanDerWaalsContact C-N 3.31Å; E358-Q360 PolarHBondContact O-N 3.16Å; Q360-L363 PolarHBondContact O-N 3.12Å; Q360-S364 PolarHBondContact O-N 2.88Å; Q360-S364 VanDerWaalsContact O-N 3.09Å
361	N	81.8	Confident	78.5	Confident	98 Å²	98	105.7 Å²	105.7	52%	0.524	53%	0.527	S	S	.	.	H	α-helix	trans	-66.3	-41.1	173.1	-96.6	-16.2	0	0	0	112.5	I357 E358 L363 S364 I365	I357-N361 PolarHBondContact O-N 2.86Å; E358-N361 PolarHBondContact O-N 2.95Å; N361-L363 VanDerWaalsContact C-N 3.33Å; N361-L363 PolarHBondContact O-N 3.36Å; N361-S364 PolarHBondContact O-N 3.27Å; N361-S364 PolarHBondContact O-OG 3Å; N361-I365 WeakPolarHBondContact O-CD1 3.49Å; N361-I365 VanDerWaalsContact O-CG1 3.27Å; N361-I365 WeakPolarHBondContact O-CG1 3.34Å; N361-I365 PolarHBondContact O-N 3.39Å; N361-I365 VanDerWaalsContact O-N 3.13Å
362	V	82.2	Confident	79.9	Confident	74 Å²	74	102.8 Å²	102.8	45%	0.448	51%	0.514	S	S	.	.	H	α-helix	trans	-63.5	-42	176.4	172.9	0	0	0	0	110.8	E358 L359 S364 I365 L366	E358-V362 WeakPolarHBondContact O-CG2 3.47Å; E358-V362 PolarHBondContact O-N 3.32Å; L359-V362 PolarHBondContact O-N 3.25Å; V362-S364 PolarHBondContact O-N 2.89Å; V362-I365 PolarHBondContact O-N 3.43Å; V362-L366 HydrophobicContact CG1-CD1 4.01Å; V362-L366 HydrophobicContact CG1-CG 4.34Å; V362-L366 WeakPolarHBondContact O-CG 3.42Å; V362-L366 PolarHBondContact O-N 3.4Å
363	L	83.8	Confident	81.1	Confident	101 Å²	101	103.1 Å²	103.1	53%	0.529	52%	0.518	S	S	.	.	H	α-helix	trans	-63.8	-38.9	177.8	-74.8	169.6	0	0	0	112.8	L359 Q360 N361 L366 A367	L359-L363 HydrophobicContact CG-CD1 4.49Å; L359-L363 WeakPolarHBondContact O-CG 3.16Å; L359-L363 PolarHBondContact O-N 3.23Å; Q360-L363 PolarHBondContact O-N 3.12Å; N361-L363 VanDerWaalsContact C-N 3.33Å; N361-L363 PolarHBondContact O-N 3.36Å; L363-L366 PolarHBondContact O-N 2.99Å; L363-A367 WeakPolarHBondContact O-CB 3.35Å; L363-A367 PolarHBondContact O-N 2.69Å
364	S	86.2	Confident	82.3	Confident	63 Å²	63	104.7 Å²	104.7	44%	0.441	52%	0.52	S	S	.	.	H	α-helix	trans	-66.8	-39.3	177	67.9	0	0	0	0	111.9	Q360 N361 V362 A367 Q368	Q360-S364 PolarHBondContact O-N 2.88Å; Q360-S364 VanDerWaalsContact O-N 3.09Å; N361-S364 PolarHBondContact O-N 3.27Å; N361-S364 PolarHBondContact O-OG 3Å; V362-S364 PolarHBondContact O-N 2.89Å; S364-A367 PolarHBondContact O-N 3.38Å; S364-Q368 PolarHBondContact O-N 3.01Å; S364-Q368 VanDerWaalsContact O-N 3.08Å
365	I	86.7	Confident	83.1	Confident	89 Å²	89	103.7 Å²	103.7	46%	0.456	51%	0.511	S	S	.	.	H	α-helix	trans	-65.5	-43.9	175	-65.8	165	0	0	0	110.9	N361 V362 A367 Q368 R369	N361-I365 WeakPolarHBondContact O-CD1 3.49Å; N361-I365 VanDerWaalsContact O-CG1 3.27Å; N361-I365 WeakPolarHBondContact O-CG1 3.34Å; N361-I365 PolarHBondContact O-N 3.39Å; N361-I365 VanDerWaalsContact O-N 3.13Å; V362-I365 PolarHBondContact O-N 3.43Å; I365-A367 PolarHBondContact O-N 3.35Å; I365-Q368 WeakPolarHBondContact O-CB 3.46Å; I365-Q368 PolarHBondContact O-N 3.32Å; I365-R369 HydrophobicContact CG2-CG 4.46Å; I365-R369 WeakPolarHBondContact O-CG 3.17Å; I365-R369 PolarHBondContact O-N 3.17Å
366	L	81.6	Confident	83.8	Confident	93 Å²	93	101.7 Å²	101.7	49%	0.487	51%	0.509	S	S	.	.	H	α-helix	trans	-60.8	-45.5	177.5	-73.8	173.6	0	0	0	111.5	V362 L363 Q368 R369 E370	V362-L366 HydrophobicContact CG1-CD1 4.01Å; V362-L366 HydrophobicContact CG1-CG 4.34Å; V362-L366 WeakPolarHBondContact O-CG 3.42Å; V362-L366 PolarHBondContact O-N 3.4Å; L363-L366 PolarHBondContact O-N 2.99Å; L366-Q368 VanDerWaalsContact C-N 3.29Å; L366-Q368 PolarHBondContact O-N 3.35Å; L366-R369 PolarHBondContact O-N 3.49Å; L366-E370 WeakPolarHBondContact O-CG 3.29Å; L366-E370 PolarHBondContact O-N 3.18Å
367	A	85.9	Confident	84.1	Confident	56 Å²	56	102.5 Å²	102.5	46%	0.463	51%	0.513	S	S	.	.	H	α-helix	trans	-60.2	-38.8	176.3	0	0	0	0	0	112.3	L363 S364 I365 F371	L363-A367 WeakPolarHBondContact O-CB 3.35Å; L363-A367 PolarHBondContact O-N 2.69Å; S364-A367 PolarHBondContact O-N 3.38Å; I365-A367 PolarHBondContact O-N 3.35Å; A367-F371 PolarHBondContact O-N 3.32Å
368	Q	87.9	Confident	84.6	Confident	112 Å²	112	101.1 Å²	101.1	52%	0.523	51%	0.506	S	S	.	.	H	α-helix	trans	-63.4	-46.2	174.1	-178.8	-176.5	-14	0	0	111.8	S364 I365 L366 E370 F371 E372	S364-Q368 PolarHBondContact O-N 3.01Å; S364-Q368 VanDerWaalsContact O-N 3.08Å; I365-Q368 WeakPolarHBondContact O-CB 3.46Å; I365-Q368 PolarHBondContact O-N 3.32Å; L366-Q368 VanDerWaalsContact C-N 3.29Å; L366-Q368 PolarHBondContact O-N 3.35Å; Q368-E370 PolarHBondContact O-N 2.97Å; Q368-F371 WeakPolarHBondContact O-CB 3.33Å; Q368-F371 PolarHBondContact O-N 3.14Å; Q368-E372 PolarHBondContact NE2-OE1 3.38Å; Q368-E372 PolarHBondContact O-N 3.45Å
369	R	87.3	Confident	85.1	Confident	144 Å²	144	100.6 Å²	100.6	54%	0.543	50%	0.504	S	S	.	.	H	α-helix	trans	-66.3	-36.2	179.2	-66.9	-54.4	-167.5	162	6.6	112.7	I365 L366 F371 E372 L373	I365-R369 HydrophobicContact CG2-CG 4.46Å; I365-R369 WeakPolarHBondContact O-CG 3.17Å; I365-R369 PolarHBondContact O-N 3.17Å; L366-R369 PolarHBondContact O-N 3.49Å; R369-F371 VanDerWaalsContact C-N 3.28Å; R369-F371 PolarHBondContact O-N 3.17Å; R369-E372 WeakPolarHBondContact CD-OE2 3.49Å; R369-E372 IonicContact CZ-OE2 2.8Å; R369-E372 IonicContact NE-OE2 2.81Å; R369-E372 IonicContact NH1-OE2 3.98Å; R369-E372 PolarHBondContact NH1-OE2 2.93Å; R369-E372 PolarHBondContact O-N 3.49Å; R369-L373 WeakPolarHBondContact O-CB 3.43Å; R369-L373 WeakPolarHBondContact O-CG 3.48Å; R369-L373 PolarHBondContact O-N 2.85Å
370	E	86.6	Confident	85.5	Confident	139 Å²	139	100.3 Å²	100.3	65%	0.65	50%	0.502	S	S	*	.	H	α-helix	trans	-61.1	-39.1	173	-75.6	-177.9	167.6	0	0	111.6	L366 Q368 K374	L366-E370 WeakPolarHBondContact O-CG 3.29Å; L366-E370 PolarHBondContact O-N 3.18Å; Q368-E370 PolarHBondContact O-N 2.97Å; E370-K374 WeakPolarHBondContact O-CB 3.4Å; E370-K374 PolarHBondContact O-N 3.3Å
371	F	88	Confident	85.6	Confident	143 Å²	143	99.4 Å²	99.4	63%	0.627	50%	0.5	S	S	*	.	H	α-helix	trans	-66.6	-47	174.3	-176.6	-97.8	0	0	0	112.1	A367 Q368 R369 L373 K374 T375	A367-F371 PolarHBondContact O-N 3.32Å; Q368-F371 WeakPolarHBondContact O-CB 3.33Å; Q368-F371 PolarHBondContact O-N 3.14Å; R369-F371 VanDerWaalsContact C-N 3.28Å; R369-F371 PolarHBondContact O-N 3.17Å; F371-L373 VanDerWaalsContact C-N 3.35Å; F371-L373 PolarHBondContact O-N 2.76Å; F371-K374 WeakPolarHBondContact O-CB 3.06Å; F371-K374 PolarHBondContact O-N 3.15Å; F371-K374 VanDerWaalsContact O-N 3.15Å; F371-T375 HydrophobicContact CD1-CG2 4.31Å; F371-T375 HydrophobicContact CE1-CG2 3.92Å; F371-T375 HydrophobicContact CZ-CG2 4.1Å; F371-T375 WeakPolarHBondContact O-CG2 3.35Å; F371-T375 PolarHBondContact O-N 2.9Å
372	E	87.3	Confident	85.7	Confident	60 Å²	60	101.2 Å²	101.2	28%	0.28	51%	0.506	S	S	.	.	H	α-helix	trans	-57.4	-46.3	175.2	-71.6	171.5	-169.2	0	0	111.5	Q368 R369 K374 T375 L376	Q368-E372 PolarHBondContact NE2-OE1 3.38Å; Q368-E372 PolarHBondContact O-N 3.45Å; R369-E372 WeakPolarHBondContact CD-OE2 3.49Å; R369-E372 IonicContact CZ-OE2 2.8Å; R369-E372 IonicContact NE-OE2 2.81Å; R369-E372 IonicContact NH1-OE2 3.98Å; R369-E372 PolarHBondContact NH1-OE2 2.93Å; R369-E372 PolarHBondContact O-N 3.49Å; E372-K374 VanDerWaalsContact C-N 3.3Å; E372-K374 PolarHBondContact O-N 3.05Å; E372-T375 WeakPolarHBondContact CA-OG1 3.36Å; E372-T375 PolarHBondContact O-N 3.41Å; E372-T375 PolarHBondContact O-OG1 3.32Å; E372-L376 PolarHBondContact O-N 2.58Å
373	L	83.1	Confident	85.8	Confident	101 Å²	101	103.6 Å²	103.6	53%	0.529	51%	0.512	S	S	.	.	H	α-helix	trans	-61.7	-37.1	176.5	-81.7	169.4	0	0	0	112.7	R369 F371 K377	R369-L373 WeakPolarHBondContact O-CB 3.43Å; R369-L373 WeakPolarHBondContact O-CG 3.48Å; R369-L373 PolarHBondContact O-N 2.85Å; F371-L373 VanDerWaalsContact C-N 3.35Å; F371-L373 PolarHBondContact O-N 2.76Å; L373-K377 WeakPolarHBondContact O-CG 3.34Å; L373-K377 PolarHBondContact O-N 2.74Å
374	K	86.5	Confident	85.7	Confident	135 Å²	135	105 Å²	105	59%	0.587	52%	0.516	S	S	*	.	H	α-helix	trans	-63.7	-47.4	174.4	-172.4	179.1	178.1	-176.4	0	110.8	E370 F371 E372 L376 K377 D378	E370-K374 WeakPolarHBondContact O-CB 3.4Å; E370-K374 PolarHBondContact O-N 3.3Å; F371-K374 WeakPolarHBondContact O-CB 3.06Å; F371-K374 PolarHBondContact O-N 3.15Å; F371-K374 VanDerWaalsContact O-N 3.15Å; E372-K374 VanDerWaalsContact C-N 3.3Å; E372-K374 PolarHBondContact O-N 3.05Å; K374-L376 VanDerWaalsContact C-N 3.35Å; K374-L376 PolarHBondContact O-N 3.44Å; K374-K377 WeakPolarHBondContact O-CB 3.45Å; K374-K377 PolarHBondContact O-N 3.08Å; K374-D378 PolarHBondContact O-N 3.3Å
375	T	85	Confident	85.5	Confident	52 Å²	52	104.3 Å²	104.3	32%	0.319	51%	0.514	S	S	.	.	H	α-helix	trans	-61.8	-40	178.3	59.8	0	0	0	0	112.9	F371 E372 D378 Q379	F371-T375 HydrophobicContact CD1-CG2 4.31Å; F371-T375 HydrophobicContact CE1-CG2 3.92Å; F371-T375 HydrophobicContact CZ-CG2 4.1Å; F371-T375 WeakPolarHBondContact O-CG2 3.35Å; F371-T375 PolarHBondContact O-N 2.9Å; E372-T375 WeakPolarHBondContact CA-OG1 3.36Å; E372-T375 PolarHBondContact O-N 3.41Å; E372-T375 PolarHBondContact O-OG1 3.32Å; T375-D378 PolarHBondContact O-N 2.98Å; T375-Q379 WeakPolarHBondContact O-CG 3.5Å; T375-Q379 PolarHBondContact O-N 3.05Å
376	L	88.6	Confident	85.5	Confident	93 Å²	93	104.7 Å²	104.7	49%	0.487	51%	0.514	S	S	.	.	H	α-helix	trans	-66.4	-37.2	176.1	-76.3	167.3	0	0	0	112.5	E372 K374 Q379 L380	E372-L376 PolarHBondContact O-N 2.58Å; K374-L376 VanDerWaalsContact C-N 3.35Å; K374-L376 PolarHBondContact O-N 3.44Å; L376-Q379 PolarHBondContact O-N 2.91Å; L376-L380 PolarHBondContact O-N 3.06Å
377	K	87.5	Confident	85.5	Confident	137 Å²	137	106 Å²	106	60%	0.596	52%	0.52	S	S	*	.	H	α-helix	trans	-63.8	-43.3	173.8	-78	176.2	178.3	-179.4	0	111.7	L373 K374 Q379 L380 I381	L373-K377 WeakPolarHBondContact O-CG 3.34Å; L373-K377 PolarHBondContact O-N 2.74Å; K374-K377 WeakPolarHBondContact O-CB 3.45Å; K374-K377 PolarHBondContact O-N 3.08Å; K377-Q379 VanDerWaalsContact C-N 3.31Å; K377-Q379 PolarHBondContact O-N 3.15Å; K377-L380 PolarHBondContact O-N 3.44Å; K377-I381 WeakPolarHBondContact O-CG1 3.3Å; K377-I381 PolarHBondContact O-N 2.95Å
378	D	88	Confident	85.3	Confident	77 Å²	77	106.5 Å²	106.5	41%	0.412	52%	0.518	S	S	.	.	H	α-helix	trans	-63.9	-38.5	177.4	-65.7	-22.9	0	0	0	111.1	K374 T375 I381 Q382	K374-D378 PolarHBondContact O-N 3.3Å; T375-D378 PolarHBondContact O-N 2.98Å; D378-I381 PolarHBondContact O-N 3.05Å; D378-Q382 WeakPolarHBondContact O-CG 3.36Å; D378-Q382 PolarHBondContact O-N 2.86Å; D378-Q382 VanDerWaalsContact O-N 3.1Å
379	Q	86.6	Confident	85.2	Confident	105 Å²	105	107 Å²	107	49%	0.491	52%	0.522	S	S	.	.	H	α-helix	trans	-64.3	-41	173.4	-73.6	175.7	-4.6	0	0	112.9	T375 L376 K377 Q382 Q383	T375-Q379 WeakPolarHBondContact O-CG 3.5Å; T375-Q379 PolarHBondContact O-N 3.05Å; L376-Q379 PolarHBondContact O-N 2.91Å; K377-Q379 VanDerWaalsContact C-N 3.31Å; K377-Q379 PolarHBondContact O-N 3.15Å; Q379-Q382 WeakPolarHBondContact O-CB 3.36Å; Q379-Q382 PolarHBondContact O-N 3.33Å; Q379-Q383 WeakPolarHBondContact O-CG 3.47Å; Q379-Q383 PolarHBondContact O-N 2.91Å
380	L	84.2	Confident	85.2	Confident	109 Å²	109	103.3 Å²	103.3	57%	0.571	51%	0.513	S	S	*	.	H	α-helix	trans	-61.7	-42.9	175.7	-90.9	166.9	0	0	0	112	L376 K377 Q382 Q383 E384	L376-L380 PolarHBondContact O-N 3.06Å; K377-L380 PolarHBondContact O-N 3.44Å; L380-Q382 VanDerWaalsContact C-N 3.3Å; L380-Q382 PolarHBondContact O-N 2.94Å; L380-Q383 PolarHBondContact O-N 2.93Å; L380-E384 WeakPolarHBondContact O-CB 3.31Å; L380-E384 PolarHBondContact O-N 3.18Å
381	I	83.5	Confident	85.3	Confident	106 Å²	106	103.2 Å²	103.2	54%	0.544	51%	0.511	S	S	.	.	H	α-helix	trans	-61.9	-40.6	176.2	-67.5	164.8	0	0	0	110.6	K377 D378 E384 A385	K377-I381 WeakPolarHBondContact O-CG1 3.3Å; K377-I381 PolarHBondContact O-N 2.95Å; D378-I381 PolarHBondContact O-N 3.05Å; I381-E384 PolarHBondContact O-N 3.29Å; I381-A385 WeakPolarHBondContact O-CB 3.22Å; I381-A385 PolarHBondContact O-N 3.29Å
382	Q	82.6	Confident	85.1	Confident	137 Å²	137	102.8 Å²	102.8	64%	0.64	51%	0.51	S	S	*	.	H	α-helix	trans	-64.6	-42.2	175.6	-71.9	175.3	4.8	0	0	112.3	D378 Q379 L380 A385 Q386	D378-Q382 WeakPolarHBondContact O-CG 3.36Å; D378-Q382 PolarHBondContact O-N 2.86Å; D378-Q382 VanDerWaalsContact O-N 3.1Å; Q379-Q382 WeakPolarHBondContact O-CB 3.36Å; Q379-Q382 PolarHBondContact O-N 3.33Å; L380-Q382 VanDerWaalsContact C-N 3.3Å; L380-Q382 PolarHBondContact O-N 2.94Å; Q382-A385 PolarHBondContact O-N 3.38Å; Q382-Q386 PolarHBondContact O-N 3.25Å
383	Q	86	Confident	85.1	Confident	124 Å²	124	105.3 Å²	105.3	58%	0.579	52%	0.522	S	S	*	.	H	α-helix	trans	-65.9	-40.1	176	-75.2	-172.6	-27.4	0	0	112.3	Q379 L380 Q386 L387	Q379-Q383 WeakPolarHBondContact O-CG 3.47Å; Q379-Q383 PolarHBondContact O-N 2.91Å; L380-Q383 PolarHBondContact O-N 2.93Å; Q383-Q386 PolarHBondContact O-N 2.81Å; Q383-L387 WeakPolarHBondContact O-CG 3.43Å; Q383-L387 PolarHBondContact O-N 3.29Å
384	E	81.7	Confident	85.3	Confident	130 Å²	130	105.9 Å²	105.9	61%	0.607	53%	0.525	S	S	*	.	H	α-helix	trans	-62.2	-45.8	175.1	-172.4	176.4	-176.1	0	0	110.8	L380 I381 Q386 L387 T388	L380-E384 WeakPolarHBondContact O-CB 3.31Å; L380-E384 PolarHBondContact O-N 3.18Å; I381-E384 PolarHBondContact O-N 3.29Å; E384-Q386 VanDerWaalsContact C-N 3.32Å; E384-Q386 PolarHBondContact O-N 3.32Å; E384-L387 PolarHBondContact O-N 2.87Å; E384-T388 WeakPolarHBondContact O-CG2 3.14Å; E384-T388 PolarHBondContact O-N 2.95Å
385	A	82.3	Confident	85.4	Confident	49 Å²	49	103.4 Å²	103.4	41%	0.405	52%	0.517	S	S	.	.	H	α-helix	trans	-58.3	-43.2	174	0	0	0	0	0	111.8	I381 Q382 T388 M389	I381-A385 WeakPolarHBondContact O-CB 3.22Å; I381-A385 PolarHBondContact O-N 3.29Å; Q382-A385 PolarHBondContact O-N 3.38Å; A385-T388 PolarHBondContact O-N 2.68Å; A385-T388 PolarHBondContact O-OG1 2.73Å; A385-M389 PolarHBondContact O-N 3.2Å
386	Q	86.1	Confident	85.6	Confident	96 Å²	96	104.3 Å²	104.3	45%	0.449	53%	0.526	S	S	.	.	H	α-helix	trans	-62.1	-47.3	176.3	-173.8	61.5	50.3	0	0	112	Q382 Q383 E384 T388 M389 D390	Q382-Q386 PolarHBondContact O-N 3.25Å; Q383-Q386 PolarHBondContact O-N 2.81Å; E384-Q386 VanDerWaalsContact C-N 3.32Å; E384-Q386 PolarHBondContact O-N 3.32Å; Q386-T388 VanDerWaalsContact C-N 3.25Å; Q386-T388 PolarHBondContact O-N 3.07Å; Q386-M389 WeakPolarHBondContact O-CB 3.41Å; Q386-M389 PolarHBondContact O-N 3.45Å; Q386-M389 VanDerWaalsContact O-N 3.07Å; Q386-D390 PolarHBondContact NE2-OD1 3.3Å; Q386-D390 PolarHBondContact O-N 3.46Å
387	L	81.2	Confident	85.5	Confident	120 Å²	120	102.6 Å²	102.6	63%	0.628	52%	0.515	S	S	*	.	H	α-helix	trans	-60.7	-35	176.9	-74.9	171.2	0	0	0	112.2	Q383 E384 K391	Q383-L387 WeakPolarHBondContact O-CG 3.43Å; Q383-L387 PolarHBondContact O-N 3.29Å; E384-L387 PolarHBondContact O-N 2.87Å; L387-K391 VanDerWaalsContact O-CB 3.3Å; L387-K391 WeakPolarHBondContact O-CB 3.41Å; L387-K391 PolarHBondContact O-N 3.5Å
388	T	81.9	Confident	85.5	Confident	67 Å²	67	100 Å²	100	41%	0.411	51%	0.505	S	S	.	.	H	α-helix	trans	-67.5	-38.5	174.3	63.8	0	0	0	0	112.4	E384 A385 Q386 K391 H392	E384-T388 WeakPolarHBondContact O-CG2 3.14Å; E384-T388 PolarHBondContact O-N 2.95Å; A385-T388 PolarHBondContact O-N 2.68Å; A385-T388 PolarHBondContact O-OG1 2.73Å; Q386-T388 VanDerWaalsContact C-N 3.25Å; Q386-T388 PolarHBondContact O-N 3.07Å; T388-K391 PolarHBondContact O-N 2.94Å; T388-H392 PolarHBondContact O-CD2 3.46Å; T388-H392 PolarHBondContact O-N 3.3Å
389	M	86.3	Confident	85.4	Confident	122 Å²	122	102 Å²	102	60%	0.601	51%	0.512	S	S	*	.	H	α-helix	trans	-63.4	-48.5	174.4	-71.6	-176.5	57.5	0	0	111.4	A385 Q386 K391 H392 E393	A385-M389 PolarHBondContact O-N 3.2Å; Q386-M389 WeakPolarHBondContact O-CB 3.41Å; Q386-M389 PolarHBondContact O-N 3.45Å; Q386-M389 VanDerWaalsContact O-N 3.07Å; M389-K391 VanDerWaalsContact C-N 3.27Å; M389-K391 PolarHBondContact O-N 3.16Å; M389-H392 PolarHBondContact O-N 3.27Å; M389-H392 VanDerWaalsContact O-N 3.13Å; M389-E393 PolarHBondContact O-N 2.93Å
390	D	86.2	Confident	85.3	Confident	67 Å²	67	102 Å²	102	36%	0.358	51%	0.512	S	S	.	.	H	α-helix	trans	-60.7	-38.9	178.7	-63.2	-5.9	0	0	0	111.2	Q386 E393 L394	Q386-D390 PolarHBondContact NE2-OD1 3.3Å; Q386-D390 PolarHBondContact O-N 3.46Å; D390-E393 PolarHBondContact O-N 3.38Å; D390-L394 WeakPolarHBondContact O-CG 3.49Å; D390-L394 PolarHBondContact O-N 3.31Å
391	K	88.6	Confident	85.5	Confident	138 Å²	138	100.9 Å²	100.9	60%	0.6	50%	0.503	S	S	*	.	H	α-helix	trans	-62.4	-44.5	174.6	-178.3	-178.5	177.7	-177.6	0	112.3	L387 T388 M389 E393 L394 I395	L387-K391 VanDerWaalsContact O-CB 3.3Å; L387-K391 WeakPolarHBondContact O-CB 3.41Å; L387-K391 PolarHBondContact O-N 3.5Å; T388-K391 PolarHBondContact O-N 2.94Å; M389-K391 VanDerWaalsContact C-N 3.27Å; M389-K391 PolarHBondContact O-N 3.16Å; K391-E393 VanDerWaalsContact C-N 3.3Å; K391-L394 PolarHBondContact O-N 3.06Å; K391-I395 HydrophobicContact CG-CD1 4.26Å; K391-I395 WeakPolarHBondContact O-CG1 3.32Å; K391-I395 PolarHBondContact O-N 3.44Å; K391-I395 VanDerWaalsContact O-N 3.1Å
392	H	84.7	Confident	85.6	Confident	133 Å²	133	100.8 Å²	100.8	62%	0.616	50%	0.5	S	S	*	.	H	α-helix	trans	-64.5	-37.1	176.8	-82.5	-65.6	0	0	0	111.9	T388 M389 I395 S396	T388-H392 PolarHBondContact O-CD2 3.46Å; T388-H392 PolarHBondContact O-N 3.3Å; M389-H392 PolarHBondContact O-N 3.27Å; M389-H392 VanDerWaalsContact O-N 3.13Å; H392-I395 PolarHBondContact O-N 2.92Å; H392-S396 PolarHBondContact O-N 3.12Å
393	E	87.7	Confident	85.8	Confident	113 Å²	113	99.1 Å²	99.1	53%	0.528	50%	0.495	S	S	.	.	H	α-helix	trans	-62.9	-46.5	174.3	-171.2	178.8	164.5	0	0	111.7	M389 D390 K391 I395 S396 Q397	M389-E393 PolarHBondContact O-N 2.93Å; D390-E393 PolarHBondContact O-N 3.38Å; K391-E393 VanDerWaalsContact C-N 3.3Å; E393-I395 VanDerWaalsContact C-N 3.32Å; E393-I395 PolarHBondContact O-N 3.46Å; E393-S396 WeakPolarHBondContact O-CB 3.36Å; E393-S396 PolarHBondContact O-N 3.4Å; E393-Q397 WeakPolarHBondContact O-CG 3.19Å; E393-Q397 PolarHBondContact O-N 3.31Å; E393-Q397 PolarHBondContact OE1-NE2 2.91Å
394	L	86.5	Confident	85.9	Confident	113 Å²	113	97.1 Å²	97.1	59%	0.592	49%	0.488	S	S	*	.	H	α-helix	trans	-60.9	-39.1	177.3	-72.8	172.7	0	0	0	112.8	D390 K391 Q397 E398	D390-L394 WeakPolarHBondContact O-CG 3.49Å; D390-L394 PolarHBondContact O-N 3.31Å; K391-L394 PolarHBondContact O-N 3.06Å; L394-Q397 PolarHBondContact O-N 2.91Å; L394-E398 PolarHBondContact O-N 3.28Å
395	I	87.6	Confident	86.2	Confident	84 Å²	84	97.3 Å²	97.3	43%	0.431	48%	0.484	S	S	.	.	H	α-helix	trans	-63.5	-45.2	175	-67.9	166.3	0	0	0	110.5	K391 H392 E393 Q397 E398 E399	K391-I395 HydrophobicContact CG-CD1 4.26Å; K391-I395 WeakPolarHBondContact O-CG1 3.32Å; K391-I395 PolarHBondContact O-N 3.44Å; K391-I395 VanDerWaalsContact O-N 3.1Å; H392-I395 PolarHBondContact O-N 2.92Å; E393-I395 VanDerWaalsContact C-N 3.32Å; E393-I395 PolarHBondContact O-N 3.46Å; I395-Q397 VanDerWaalsContact C-N 3.28Å; I395-Q397 PolarHBondContact O-N 2.91Å; I395-E398 PolarHBondContact O-N 3.21Å; I395-E399 PolarHBondContact O-N 3.23Å
396	S	89.5	Confident	86.2	Confident	71 Å²	71	98.3 Å²	98.3	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-60.2	-38.9	176.6	-174.6	0	0	0	0	112	H392 E393 E399 E400	H392-S396 PolarHBondContact O-N 3.12Å; E393-S396 WeakPolarHBondContact O-CB 3.36Å; E393-S396 PolarHBondContact O-N 3.4Å; S396-E399 PolarHBondContact O-N 2.96Å; S396-E400 PolarHBondContact O-N 3.4Å; S396-E400 VanDerWaalsContact O-N 3.08Å
397	Q	87.2	Confident	86.3	Confident	56 Å²	56	99.8 Å²	99.8	26%	0.262	50%	0.495	S	S	.	.	H	α-helix	trans	-67.5	-38.1	176.6	-69.8	180	5.6	0	0	112	E393 L394 I395 E400 K401	E393-Q397 WeakPolarHBondContact O-CG 3.19Å; E393-Q397 PolarHBondContact O-N 3.31Å; E393-Q397 PolarHBondContact OE1-NE2 2.91Å; L394-Q397 PolarHBondContact O-N 2.91Å; I395-Q397 VanDerWaalsContact C-N 3.28Å; I395-Q397 PolarHBondContact O-N 2.91Å; Q397-E400 PolarHBondContact O-N 2.84Å; Q397-K401 WeakPolarHBondContact O-CB 3.39Å; Q397-K401 PolarHBondContact O-N 3.08Å
398	E	86.8	Confident	86.5	Confident	82 Å²	82	98.4 Å²	98.4	38%	0.383	49%	0.488	S	S	.	.	H	α-helix	trans	-63.6	-42.3	174.8	-175.2	59.4	-148.4	0	0	111.2	L394 I395 E400 K401 Q402	L394-E398 PolarHBondContact O-N 3.28Å; I395-E398 PolarHBondContact O-N 3.21Å; E398-E400 PolarHBondContact O-N 3.3Å; E398-K401 WeakPolarHBondContact O-CB 3.32Å; E398-K401 PolarHBondContact O-N 3.15Å; E398-K401 WeakPolarHBondContact OE1-CE 3.29Å; E398-K401 IonicContact OE1-NZ 3.35Å; E398-K401 PolarHBondContact OE1-NZ 3.07Å; E398-K401 VanDerWaalsContact OE2-CE 3.31Å; E398-K401 WeakPolarHBondContact OE2-CE 3.18Å; E398-K401 IonicContact OE2-NZ 3.03Å; E398-K401 PolarHBondContact OE2-NZ 2.91Å; E398-Q402 VanDerWaalsContact O-CG 3.26Å; E398-Q402 WeakPolarHBondContact O-CG 3.49Å; E398-Q402 PolarHBondContact O-N 3.1Å; E398-Q402 PolarHBondContact OE1-NE2 3.42Å
399	E	85.9	Confident	86.7	Confident	121 Å²	121	99.8 Å²	99.8	57%	0.565	49%	0.493	S	S	*	.	H	α-helix	trans	-62.3	-42.8	175.8	-69.7	-175.6	164.8	0	0	112.4	I395 S396 Q402 N403	I395-E399 PolarHBondContact O-N 3.23Å; S396-E399 PolarHBondContact O-N 2.96Å; E399-Q402 PolarHBondContact O-N 3.17Å; E399-N403 VanDerWaalsContact O-CG 3.22Å; E399-N403 PolarHBondContact O-N 2.89Å; E399-N403 PolarHBondContact O-ND2 3.16Å
400	E	85.8	Confident	86.8	Confident	104 Å²	104	98 Å²	98	49%	0.486	49%	0.489	S	S	.	.	H	α-helix	trans	-62.4	-44.7	175.3	-170.7	-177.2	-178.8	0	0	111.5	S396 Q397 E398 Q402 N403 L404	S396-E400 PolarHBondContact O-N 3.4Å; S396-E400 VanDerWaalsContact O-N 3.08Å; Q397-E400 PolarHBondContact O-N 2.84Å; E398-E400 PolarHBondContact O-N 3.3Å; E400-Q402 VanDerWaalsContact C-N 3.32Å; E400-Q402 PolarHBondContact O-N 3.35Å; E400-N403 WeakPolarHBondContact O-CB 3.44Å; E400-N403 PolarHBondContact O-N 3.44Å; E400-N403 VanDerWaalsContact O-N 3.12Å; E400-L404 WeakPolarHBondContact O-CG 3.21Å; E400-L404 PolarHBondContact O-N 3.35Å
401	K	88	Confident	86.8	Confident	86 Å²	86	100.3 Å²	100.3	37%	0.374	50%	0.499	S	S	.	.	H	α-helix	trans	-57.4	-45.7	175.3	-168.6	-167.5	75.7	-169.6	0	110.9	Q397 E398 N403 L404 Y405	Q397-K401 WeakPolarHBondContact O-CB 3.39Å; Q397-K401 PolarHBondContact O-N 3.08Å; E398-K401 WeakPolarHBondContact O-CB 3.32Å; E398-K401 PolarHBondContact O-N 3.15Å; E398-K401 WeakPolarHBondContact OE1-CE 3.29Å; E398-K401 IonicContact OE1-NZ 3.35Å; E398-K401 PolarHBondContact OE1-NZ 3.07Å; E398-K401 VanDerWaalsContact OE2-CE 3.31Å; E398-K401 WeakPolarHBondContact OE2-CE 3.18Å; E398-K401 IonicContact OE2-NZ 3.03Å; E398-K401 PolarHBondContact OE2-NZ 2.91Å; K401-N403 VanDerWaalsContact C-N 3.33Å; K401-N403 PolarHBondContact O-N 3.37Å; K401-L404 PolarHBondContact O-N 2.71Å; K401-Y405 HydrophobicContact CD-CE2 4.01Å; K401-Y405 HydrophobicContact CG-CD2 3.87Å; K401-Y405 HydrophobicContact CG-CE2 3.68Å; K401-Y405 VanDerWaalsContact O-CD2 3.22Å; K401-Y405 WeakPolarHBondContact O-CD2 3.46Å; K401-Y405 PolarHBondContact O-N 2.7Å
402	Q	85	Confident	86.8	Confident	104 Å²	104	101.7 Å²	101.7	49%	0.486	50%	0.5	S	S	.	.	H	α-helix	trans	-62.4	-39.4	176.5	-68.2	-64.3	-22.4	0	0	112.2	E398 E399 E400 Y405 S406	E398-Q402 VanDerWaalsContact O-CG 3.26Å; E398-Q402 WeakPolarHBondContact O-CG 3.49Å; E398-Q402 PolarHBondContact O-N 3.1Å; E398-Q402 PolarHBondContact OE1-NE2 3.42Å; E399-Q402 PolarHBondContact O-N 3.17Å; E400-Q402 VanDerWaalsContact C-N 3.32Å; E400-Q402 PolarHBondContact O-N 3.35Å; Q402-Y405 PolarHBondContact O-N 2.85Å; Q402-S406 WeakPolarHBondContact O-CB 3.42Å; Q402-S406 PolarHBondContact O-N 3.18Å
403	N	87.7	Confident	86.8	Confident	102 Å²	102	98.4 Å²	98.4	55%	0.545	49%	0.489	S	S	.	.	H	α-helix	trans	-63.4	-42.2	175.5	-69.2	-29.8	0	0	0	111.7	E399 E400 K401 S406 Q407	E399-N403 VanDerWaalsContact O-CG 3.22Å; E399-N403 PolarHBondContact O-N 2.89Å; E399-N403 PolarHBondContact O-ND2 3.16Å; E400-N403 WeakPolarHBondContact O-CB 3.44Å; E400-N403 PolarHBondContact O-N 3.44Å; E400-N403 VanDerWaalsContact O-N 3.12Å; K401-N403 VanDerWaalsContact C-N 3.33Å; K401-N403 PolarHBondContact O-N 3.37Å; N403-S406 WeakPolarHBondContact O-CB 3.33Å; N403-S406 PolarHBondContact O-N 2.67Å; N403-Q407 WeakPolarHBondContact O-CG 3.43Å; N403-Q407 PolarHBondContact O-N 3.16Å
404	L	88.4	Confident	86.7	Confident	81 Å²	81	95.9 Å²	95.9	42%	0.424	48%	0.482	S	S	.	.	H	α-helix	trans	-64.9	-43.7	175.5	-71.3	171.2	0	0	0	112	E400 K401 S406 Q407 L408	E400-L404 WeakPolarHBondContact O-CG 3.21Å; E400-L404 PolarHBondContact O-N 3.35Å; K401-L404 PolarHBondContact O-N 2.71Å; L404-S406 VanDerWaalsContact C-N 3.3Å; L404-S406 PolarHBondContact O-N 3.02Å; L404-Q407 PolarHBondContact O-N 3.28Å; L404-L408 PolarHBondContact O-N 3Å
405	Y	87.2	Confident	86.7	Confident	134 Å²	134	96.2 Å²	96.2	53%	0.525	48%	0.482	S	S	.	.	H	α-helix	trans	-60.3	-39.1	173.4	-86.9	-70.7	0	0	0	112.2	K401 Q402 L408 N409	K401-Y405 HydrophobicContact CD-CE2 4.01Å; K401-Y405 HydrophobicContact CG-CD2 3.87Å; K401-Y405 HydrophobicContact CG-CE2 3.68Å; K401-Y405 VanDerWaalsContact O-CD2 3.22Å; K401-Y405 WeakPolarHBondContact O-CD2 3.46Å; K401-Y405 PolarHBondContact O-N 2.7Å; Q402-Y405 PolarHBondContact O-N 2.85Å; Y405-L408 PolarHBondContact O-N 2.95Å; Y405-N409 PolarHBondContact O-N 2.81Å; Y405-N409 PolarHBondContact O-ND2 2.91Å
406	S	82.5	Confident	86.4	Confident	70 Å²	70	96.3 Å²	96.3	49%	0.49	48%	0.48	S	S	.	.	H	α-helix	trans	-62.4	-45.3	174.8	-171.9	0	0	0	0	111.8	Q402 N403 L404 N409 V410	Q402-S406 WeakPolarHBondContact O-CB 3.42Å; Q402-S406 PolarHBondContact O-N 3.18Å; N403-S406 WeakPolarHBondContact O-CB 3.33Å; N403-S406 PolarHBondContact O-N 2.67Å; L404-S406 VanDerWaalsContact C-N 3.3Å; L404-S406 PolarHBondContact O-N 3.02Å; S406-N409 PolarHBondContact O-N 2.95Å; S406-V410 WeakPolarHBondContact O-CG2 3.32Å; S406-V410 PolarHBondContact O-N 2.9Å
407	Q	87.8	Confident	85.9	Confident	127 Å²	127	101.4 Å²	101.4	59%	0.593	49%	0.489	S	S	*	.	H	α-helix	trans	-63.6	-42.8	176.5	-71	178.2	25.2	0	0	112.4	N403 L404 N409 V410 M411	N403-Q407 WeakPolarHBondContact O-CG 3.43Å; N403-Q407 PolarHBondContact O-N 3.16Å; L404-Q407 PolarHBondContact O-N 3.28Å; Q407-N409 VanDerWaalsContact C-N 3.28Å; Q407-N409 PolarHBondContact O-N 3.41Å; Q407-V410 PolarHBondContact O-N 3.2Å; Q407-M411 PolarHBondContact O-N 3.15Å
408	L	86.2	Confident	85.4	Confident	92 Å²	92	104.2 Å²	104.2	48%	0.482	51%	0.505	S	S	.	.	H	α-helix	trans	-59.3	-39.8	174.7	-81.2	173.3	0	0	0	111.7	L404 Y405 M411 R412	L404-L408 PolarHBondContact O-N 3Å; Y405-L408 PolarHBondContact O-N 2.95Å; L408-M411 HydrophobicContact CD2-CE 3.69Å; L408-M411 PolarHBondContact O-N 3.32Å; L408-R412 VanDerWaalsContact O-CB 3.31Å; L408-R412 WeakPolarHBondContact O-CB 3.24Å; L408-R412 PolarHBondContact O-N 2.82Å
409	N	85.7	Confident	85	Confident	95 Å²	95	104.4 Å²	104.4	51%	0.508	51%	0.509	S	S	.	.	H	α-helix	trans	-66.8	-39.2	175.3	-77.2	-23.4	0	0	0	112.6	Y405 S406 Q407 M411 R412 T413	Y405-N409 PolarHBondContact O-N 2.81Å; Y405-N409 PolarHBondContact O-ND2 2.91Å; S406-N409 PolarHBondContact O-N 2.95Å; Q407-N409 VanDerWaalsContact C-N 3.28Å; Q407-N409 PolarHBondContact O-N 3.41Å; N409-M411 VanDerWaalsContact C-N 3.35Å; N409-R412 PolarHBondContact O-N 3.47Å; N409-T413 WeakPolarHBondContact O-CB 3.4Å; N409-T413 VanDerWaalsContact O-CG2 3.3Å; N409-T413 WeakPolarHBondContact O-CG2 3.41Å; N409-T413 PolarHBondContact O-N 3.26Å; N409-T413 PolarHBondContact O-OG1 3.29Å
410	V	88	Confident	84.5	Confident	86 Å²	86	104.8 Å²	104.8	52%	0.521	51%	0.508	S	S	.	.	H	α-helix	trans	-62.7	-43.6	172.9	174.4	0	0	0	0	110.7	S406 Q407 T413 T414	S406-V410 WeakPolarHBondContact O-CG2 3.32Å; S406-V410 PolarHBondContact O-N 2.9Å; Q407-V410 PolarHBondContact O-N 3.2Å; V410-T413 WeakPolarHBondContact CA-OG1 3.28Å; V410-T413 PolarHBondContact O-N 3.08Å; V410-T413 PolarHBondContact O-OG1 2.79Å; V410-T414 WeakPolarHBondContact O-CB 3.45Å; V410-T414 VanDerWaalsContact O-CG2 3.29Å; V410-T414 WeakPolarHBondContact O-CG2 3.22Å; V410-T414 PolarHBondContact O-N 2.84Å; V410-T414 PolarHBondContact O-OG1 3Å
411	M	86.9	Confident	84.1	Confident	115 Å²	115	103.3 Å²	103.3	57%	0.567	51%	0.507	S	S	*	.	H	α-helix	trans	-64.2	-42.9	176.7	-171.6	175.6	71	0	0	111.9	Q407 L408 N409 T414 M415	Q407-M411 PolarHBondContact O-N 3.15Å; L408-M411 HydrophobicContact CD2-CE 3.69Å; L408-M411 PolarHBondContact O-N 3.32Å; N409-M411 VanDerWaalsContact C-N 3.35Å; M411-T414 WeakPolarHBondContact CA-OG1 3.16Å; M411-T414 PolarHBondContact O-N 3.05Å; M411-T414 PolarHBondContact O-OG1 3.2Å; M411-M415 WeakPolarHBondContact O-CB 3.5Å; M411-M415 PolarHBondContact O-N 2.84Å
412	R	88.4	Confident	83.5	Confident	167 Å²	167	103.5 Å²	103.5	63%	0.63	51%	0.512	S	S	*	.	H	α-helix	trans	-60.2	-49.1	176.1	-176.5	179.2	-179.1	137.2	0.2	111.8	L408 N409 T414 M415 E416	L408-R412 VanDerWaalsContact O-CB 3.31Å; L408-R412 WeakPolarHBondContact O-CB 3.24Å; L408-R412 PolarHBondContact O-N 2.82Å; N409-R412 PolarHBondContact O-N 3.47Å; R412-T414 PolarHBondContact O-N 3.47Å; R412-M415 PolarHBondContact O-N 3.14Å; R412-E416 IonicContact NE-OE1 3.79Å; R412-E416 PolarHBondContact NE-OE1 2.92Å; R412-E416 WeakPolarHBondContact O-CG 3.44Å; R412-E416 PolarHBondContact O-N 3.18Å
413	T	85	Confident	82.8	Confident	63 Å²	63	103.5 Å²	103.5	39%	0.387	52%	0.515	S	S	.	.	H	α-helix	trans	-66.7	-34.9	-179.7	53.8	0	0	0	0	112.7	N409 V410 R417	N409-T413 WeakPolarHBondContact O-CB 3.4Å; N409-T413 VanDerWaalsContact O-CG2 3.3Å; N409-T413 WeakPolarHBondContact O-CG2 3.41Å; N409-T413 PolarHBondContact O-N 3.26Å; N409-T413 PolarHBondContact O-OG1 3.29Å; V410-T413 WeakPolarHBondContact CA-OG1 3.28Å; V410-T413 PolarHBondContact O-N 3.08Å; V410-T413 PolarHBondContact O-OG1 2.79Å; T413-R417 VanDerWaalsContact O-CG 3.31Å; T413-R417 WeakPolarHBondContact O-CG 3.46Å; T413-R417 PolarHBondContact O-N 3.27Å
414	T	84.5	Confident	82	Confident	61 Å²	61	107.1 Å²	107.1	37%	0.374	52%	0.522	S	S	.	.	H	α-helix	trans	-67.7	-39.2	173.4	51.5	0	0	0	0	111.8	V410 M411 R412 R417 L418	V410-T414 WeakPolarHBondContact O-CB 3.45Å; V410-T414 VanDerWaalsContact O-CG2 3.29Å; V410-T414 WeakPolarHBondContact O-CG2 3.22Å; V410-T414 PolarHBondContact O-N 2.84Å; V410-T414 PolarHBondContact O-OG1 3Å; M411-T414 WeakPolarHBondContact CA-OG1 3.16Å; M411-T414 PolarHBondContact O-N 3.05Å; M411-T414 PolarHBondContact O-OG1 3.2Å; R412-T414 PolarHBondContact O-N 3.47Å; T414-R417 PolarHBondContact O-N 3Å; T414-L418 WeakPolarHBondContact O-CG 3.23Å; T414-L418 PolarHBondContact O-N 2.63Å
415	M	85.9	Confident	80.8	Confident	119 Å²	119	108.3 Å²	108.3	59%	0.586	53%	0.528	S	S	*	.	H	α-helix	trans	-65.9	-40.3	174.8	-167.7	162.2	176.4	0	0	112.3	M411 R412 L418 N419	M411-M415 WeakPolarHBondContact O-CB 3.5Å; M411-M415 PolarHBondContact O-N 2.84Å; R412-M415 PolarHBondContact O-N 3.14Å; M415-L418 PolarHBondContact O-N 3.34Å; M415-N419 WeakPolarHBondContact O-CB 3.23Å; M415-N419 PolarHBondContact O-N 3Å
416	E	82	Confident	79.6	Confident	86 Å²	86	104.7 Å²	104.7	40%	0.402	52%	0.522	S	S	.	.	H	α-helix	trans	-63	-40.4	172.8	-73.4	173.2	-170.9	0	0	112.3	R412 N419 K420	R412-E416 IonicContact NE-OE1 3.79Å; R412-E416 PolarHBondContact NE-OE1 2.92Å; R412-E416 WeakPolarHBondContact O-CG 3.44Å; R412-E416 PolarHBondContact O-N 3.18Å; E416-N419 PolarHBondContact O-N 3.48Å; E416-K420 WeakPolarHBondContact O-CG 3.42Å; E416-K420 PolarHBondContact O-N 2.92Å
417	R	79.2	Confident	78.7	Confident	178 Å²	178	104.6 Å²	104.6	67%	0.672	52%	0.522	S	S	*	.	H	α-helix	trans	-63.6	-43.9	174.1	-76	173.4	177.6	180	0.5	111.7	T413 T414 K420 T421	T413-R417 VanDerWaalsContact O-CG 3.31Å; T413-R417 WeakPolarHBondContact O-CG 3.46Å; T413-R417 PolarHBondContact O-N 3.27Å; T414-R417 PolarHBondContact O-N 3Å; R417-K420 PolarHBondContact O-N 3.4Å; R417-T421 WeakPolarHBondContact O-CG2 3.46Å; R417-T421 PolarHBondContact O-N 3.34Å; R417-T421 PolarHBondContact O-OG1 2.94Å
418	L	77.1	Confident	77.5	Confident	115 Å²	115	101 Å²	101	60%	0.602	51%	0.513	S	S	*	.	H	α-helix	trans	-62.3	-45.2	176.9	-75.6	169.5	0	0	0	111.3	T414 M415 K420 T421 N422	T414-L418 WeakPolarHBondContact O-CG 3.23Å; T414-L418 PolarHBondContact O-N 2.63Å; M415-L418 PolarHBondContact O-N 3.34Å; L418-K420 PolarHBondContact O-N 3.37Å; L418-T421 WeakPolarHBondContact CA-OG1 3.44Å; L418-T421 PolarHBondContact O-N 2.78Å; L418-T421 PolarHBondContact O-OG1 3.08Å; L418-N422 WeakPolarHBondContact O-CB 3.46Å; L418-N422 PolarHBondContact O-N 3.43Å
419	N	78	Confident	75.9	Confident	86 Å²	86	102.2 Å²	102.2	46%	0.46	52%	0.52	S	S	.	.	H	α-helix	trans	-59.4	-46.6	175.7	-76.1	-19.8	0	0	0	111.5	M415 E416 T421 N422 D423	M415-N419 WeakPolarHBondContact O-CB 3.23Å; M415-N419 PolarHBondContact O-N 3Å; E416-N419 PolarHBondContact O-N 3.48Å; N419-T421 PolarHBondContact O-N 3.28Å; N419-N422 WeakPolarHBondContact O-CB 3.37Å; N419-N422 PolarHBondContact O-N 3.32Å; N419-N422 VanDerWaalsContact O-N 3.08Å; N419-D423 PolarHBondContact O-N 3.3Å
420	K	75.5	Confident	74.4	Confident	129 Å²	129	104.1 Å²	104.1	56%	0.561	53%	0.525	S	S	*	.	H	α-helix	trans	-57.2	-45.7	174.2	-73.5	174.4	-178.7	175.2	0	112.2	E416 R417 L418 N422 D423 Y424	E416-K420 WeakPolarHBondContact O-CG 3.42Å; E416-K420 PolarHBondContact O-N 2.92Å; R417-K420 PolarHBondContact O-N 3.4Å; L418-K420 PolarHBondContact O-N 3.37Å; K420-N422 VanDerWaalsContact C-N 3.27Å; K420-N422 PolarHBondContact O-N 2.94Å; K420-D423 PolarHBondContact O-N 3.5Å; K420-Y424 WeakPolarHBondContact O-CD2 3.39Å; K420-Y424 PolarHBondContact O-N 3.21Å
421	T	76.3	Confident	72.6	Confident	73 Å²	73	109.9 Å²	109.9	45%	0.448	54%	0.538	S	S	.	.	H	α-helix	trans	-64	-34	177.2	54.1	0	0	0	0	112.7	R417 L418 N419 Y424 L425	R417-T421 WeakPolarHBondContact O-CG2 3.46Å; R417-T421 PolarHBondContact O-N 3.34Å; R417-T421 PolarHBondContact O-OG1 2.94Å; L418-T421 WeakPolarHBondContact CA-OG1 3.44Å; L418-T421 PolarHBondContact O-N 2.78Å; L418-T421 PolarHBondContact O-OG1 3.08Å; N419-T421 PolarHBondContact O-N 3.28Å; T421-Y424 PolarHBondContact O-N 3.03Å; T421-L425 WeakPolarHBondContact O-CG 3.23Å; T421-L425 PolarHBondContact O-N 3.44Å
422	N	76.8	Confident	70.5	Confident	91 Å²	91	112 Å²	112	49%	0.487	55%	0.546	S	S	.	.	H	α-helix	trans	-69.4	-41.3	176.6	-146.6	11.5	0	0	0	110.9	L418 N419 K420 Y424 L425 C426	L418-N422 WeakPolarHBondContact O-CB 3.46Å; L418-N422 PolarHBondContact O-N 3.43Å; N419-N422 WeakPolarHBondContact O-CB 3.37Å; N419-N422 PolarHBondContact O-N 3.32Å; N419-N422 VanDerWaalsContact O-N 3.08Å; K420-N422 VanDerWaalsContact C-N 3.27Å; K420-N422 PolarHBondContact O-N 2.94Å; N422-Y424 VanDerWaalsContact C-N 3.3Å; N422-Y424 PolarHBondContact O-N 3.32Å; N422-L425 PolarHBondContact O-N 2.98Å; N422-L425 VanDerWaalsContact O-N 3.15Å; N422-C426 WeakPolarHBondContact O-CB 3.46Å; N422-C426 PolarHBondContact O-N 3.2Å; N422-C426 PolarHBondContact O-SG 3.42Å; N422-C426 VanDerWaalsContact O-SG 3.34Å
423	D	70.2	Confident	68.3	Low	103 Å²	103	108.4 Å²	108.4	55%	0.551	55%	0.547	S	S	*	.	H	α-helix	trans	-61.3	-38.7	174	-65.8	-23.4	0	0	0	111.9	N419 K420 S427	N419-D423 PolarHBondContact O-N 3.3Å; K420-D423 PolarHBondContact O-N 3.5Å; D423-S427 VanDerWaalsContact O-CB 3.3Å; D423-S427 WeakPolarHBondContact O-CB 3.44Å; D423-S427 PolarHBondContact O-N 3.17Å; D423-S427 PolarHBondContact O-OG 2.89Å
424	Y	69.7	Low	66.1	Low	179 Å²	179	110.4 Å²	110.4	70%	0.702	56%	0.559	S	S	*	*	H	α-helix	trans	-63.4	-44.2	172.8	-77.2	-64	0	0	0	112.2	K420 T421 N422 S427 A428	K420-Y424 WeakPolarHBondContact O-CD2 3.39Å; K420-Y424 PolarHBondContact O-N 3.21Å; T421-Y424 PolarHBondContact O-N 3.03Å; N422-Y424 VanDerWaalsContact C-N 3.3Å; N422-Y424 PolarHBondContact O-N 3.32Å; Y424-S427 PolarHBondContact O-N 3.27Å; Y424-A428 WeakPolarHBondContact O-CB 3.48Å; Y424-A428 PolarHBondContact O-N 3.36Å
425	L	63.5	Low	63.8	Low	105 Å²	105	115 Å²	115	55%	0.55	58%	0.576	S	S	.	*	H	α-helix	trans	-65.6	-44.3	177.6	-74.5	170.9	0	0	0	111.6	T421 N422 S427 A428 L429	T421-L425 WeakPolarHBondContact O-CG 3.23Å; T421-L425 PolarHBondContact O-N 3.44Å; N422-L425 PolarHBondContact O-N 2.98Å; N422-L425 VanDerWaalsContact O-N 3.15Å; L425-S427 VanDerWaalsContact C-N 3.33Å; L425-S427 PolarHBondContact O-N 3.11Å; L425-A428 PolarHBondContact O-N 2.96Å; L425-L429 WeakPolarHBondContact O-CB 3.39Å; L425-L429 WeakPolarHBondContact O-CG 3.4Å; L425-L429 PolarHBondContact O-N 2.77Å
426	C	62.7	Low	61.2	Low	59 Å²	59	120.7 Å²	120.7	40%	0.399	59%	0.59	S	S	.	*	H	α-helix	trans	-56.4	-48.9	172.6	-73.5	0	0	0	0	110.5	N422 A428 L429 H430	N422-C426 WeakPolarHBondContact O-CB 3.46Å; N422-C426 PolarHBondContact O-N 3.2Å; N422-C426 PolarHBondContact O-SG 3.42Å; N422-C426 VanDerWaalsContact O-SG 3.34Å; C426-A428 PolarHBondContact O-N 3.19Å; C426-L429 PolarHBondContact O-N 3.44Å; C426-H430 PolarHBondContact O-N 2.91Å; C426-H430 PolarHBondContact O-ND1 3.23Å
427	S	63.7	Low	58.9	Low	68 Å²	68	122 Å²	122	48%	0.476	61%	0.607	S	S	.	*	H	α-helix	trans	-62.7	-38.8	178	-60.2	0	0	0	0	113	D423 Y424 L425 H430 R431	D423-S427 VanDerWaalsContact O-CB 3.3Å; D423-S427 WeakPolarHBondContact O-CB 3.44Å; D423-S427 PolarHBondContact O-N 3.17Å; D423-S427 PolarHBondContact O-OG 2.89Å; Y424-S427 PolarHBondContact O-N 3.27Å; L425-S427 VanDerWaalsContact C-N 3.33Å; L425-S427 PolarHBondContact O-N 3.11Å; S427-H430 PolarHBondContact O-N 3.32Å; S427-R431 WeakPolarHBondContact O-CG 3.47Å; S427-R431 PolarHBondContact O-N 2.84Å; S427-R431 VanDerWaalsContact O-N 3.09Å
428	A	61.5	Low	56.7	Low	50 Å²	50	118.5 Å²	118.5	41%	0.413	61%	0.609	S	S	.	*	H	α-helix	trans	-67.1	-43.3	177.2	0	0	0	0	0	111.9	Y424 L425 C426 H430 R431 E432	Y424-A428 WeakPolarHBondContact O-CB 3.48Å; Y424-A428 PolarHBondContact O-N 3.36Å; L425-A428 PolarHBondContact O-N 2.96Å; C426-A428 PolarHBondContact O-N 3.19Å; A428-H430 VanDerWaalsContact C-N 3.33Å; A428-H430 PolarHBondContact O-N 3.07Å; A428-R431 PolarHBondContact O-N 3.43Å; A428-R431 VanDerWaalsContact O-N 3.17Å; A428-E432 PolarHBondContact O-N 3.42Å
429	L	54.3	Low	54.3	Low	118 Å²	118	124.9 Å²	124.9	62%	0.618	63%	0.625	S	S	*	*	H	α-helix	trans	-63	-38.9	175.6	-74.5	170.3	0	0	0	111.9	L425 C426 R431 E432 S433	L425-L429 WeakPolarHBondContact O-CB 3.39Å; L425-L429 WeakPolarHBondContact O-CG 3.4Å; L425-L429 PolarHBondContact O-N 2.77Å; C426-L429 PolarHBondContact O-N 3.44Å; L429-R431 VanDerWaalsContact C-N 3.33Å; L429-R431 PolarHBondContact O-N 3.01Å; L429-E432 PolarHBondContact O-N 2.84Å; L429-S433 PolarHBondContact O-N 3.43Å; L429-S433 VanDerWaalsContact O-N 3.15Å
430	H	52.9	Low	52	Low	136 Å²	136	126.7 Å²	126.7	63%	0.63	64%	0.64	S	S	*	*	H	α-helix	trans	-64.7	-38.4	174.6	-75.4	72.4	0	0	0	111.5	C426 S427 A428 S433	C426-H430 PolarHBondContact O-N 2.91Å; C426-H430 PolarHBondContact O-ND1 3.23Å; S427-H430 PolarHBondContact O-N 3.32Å; A428-H430 VanDerWaalsContact C-N 3.33Å; A428-H430 PolarHBondContact O-N 3.07Å; H430-S433 PolarHBondContact O-N 3.09Å; H430-S433 PolarHBondContact O-OG 3.45Å
431	R	50.4	Low	49.7	Very low	207 Å²	207	125.7 Å²	125.7	78%	0.781	65%	0.649	S	S	*	*	H	α-helix	trans	-67.9	-40.5	175.9	-75.5	-177.9	177.5	179.4	0.7	113.3	S427 A428 L429 S433 V434	S427-R431 WeakPolarHBondContact O-CG 3.47Å; S427-R431 PolarHBondContact O-N 2.84Å; S427-R431 VanDerWaalsContact O-N 3.09Å; A428-R431 PolarHBondContact O-N 3.43Å; A428-R431 VanDerWaalsContact O-N 3.17Å; L429-R431 VanDerWaalsContact C-N 3.33Å; L429-R431 PolarHBondContact O-N 3.01Å; R431-S433 PolarHBondContact O-N 2.94Å; R431-V434 PolarHBondContact O-N 3.39Å
432	E	43.4	Very low	47.4	Very low	158 Å²	158	128.7 Å²	128.7	74%	0.738	67%	0.67	S	S	*	*	H	α-helix	trans	-68.1	-25.6	176.9	-73.8	-150.8	163	0	0	112.9	A428 L429 V434	A428-E432 PolarHBondContact O-N 3.42Å; L429-E432 PolarHBondContact O-N 2.84Å; E432-V434 VanDerWaalsContact C-N 3.26Å; E432-V434 PolarHBondContact O-N 3.12Å
433	S	41.5	Very low	44.9	Very low	92 Å²	92	129.2 Å²	129.2	64%	0.643	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-16.1	-179.2	77.5	0	0	0	0	114.9	L429 H430 R431	L429-S433 PolarHBondContact O-N 3.43Å; L429-S433 VanDerWaalsContact O-N 3.15Å; H430-S433 PolarHBondContact O-N 3.09Å; H430-S433 PolarHBondContact O-OG 3.45Å; R431-S433 PolarHBondContact O-N 2.94Å
434	V	39.8	Very low	42.8	Very low	106 Å²	106	129.9 Å²	129.9	64%	0.642	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	-13	-173.2	-173.5	0	0	0	0	113.7	R431 E432	R431-V434 PolarHBondContact O-N 3.39Å; E432-V434 VanDerWaalsContact C-N 3.26Å; E432-V434 PolarHBondContact O-N 3.12Å
435	H	36.5	Very low	40.8	Very low	157 Å²	157	126.2 Å²	126.2	73%	0.727	70%	0.7	S	S	*	*			trans	-133	80	-174.7	-77.1	33.7	0	0	0	112.9
436	R	29.7	Very low	38.9	Very low	238 Å²	238	131.9 Å²	131.9	90%	0.898	72%	0.721	S	S	*	*			trans	-113.1	102	149	-88.1	-171.6	-178.1	-176.1	1.8	108.8	S438	R436-S438 PolarHBondContact O-N 2.75Å
437	P	34.1	Very low	37.2	Very low	114 Å²	114	134 Å²	134	74%	0.74	74%	0.736	S	S	*	*			trans	-62.1	128	167.3	-10.8	25.2	0	0	0	107.9	R439	P437-R439 PolarHBondContact O-N 3.25Å
438	S	33.7	Very low	35.4	Very low	104 Å²	104	139.5 Å²	139.5	73%	0.727	75%	0.754	S	S	*	*			trans	-51	105.4	170	48.3	0	0	0	0	109.7	R436 T440	R436-S438 PolarHBondContact O-N 2.75Å; S438-T440 VanDerWaalsContact C-N 3.31Å; S438-T440 PolarHBondContact O-N 2.92Å
439	R	26.5	Very low	33.6	Very low	249 Å²	249	143.1 Å²	143.1	94%	0.94	78%	0.775	S	S	*	*			trans	-70	93.5	166.6	-81	-177.2	171.3	-175	-2.8	107.4	P437 S441	P437-R439 PolarHBondContact O-N 3.25Å; R439-S441 PolarHBondContact O-N 2.78Å
440	T	30.4	Very low	32.1	Very low	124 Å²	124	145.8 Å²	145.8	76%	0.761	79%	0.786	S	S	*	*			trans	-66.5	125.1	164.6	48.5	0	0	0	0	108.4	S438	S438-T440 VanDerWaalsContact C-N 3.31Å; S438-T440 PolarHBondContact O-N 2.92Å
441	S	26.7	Very low	30.8	Very low	108 Å²	108	147 Å²	147	76%	0.755	79%	0.793	S	S	*	*			trans	-57.5	140	179.2	-53.3	0	0	0	0	111.9	R439 S443	R439-S441 PolarHBondContact O-N 2.78Å; S441-S443 PolarHBondContact O-N 3.48Å
442	P	26.4	Very low	29.7	Very low	136 Å²	136	145.1 Å²	145.1	88%	0.883	79%	0.793	S	S	*	*			trans	-83.9	102.5	178.8	32.6	-28.6	0	0	0	109
443	S	25.1	Very low	28.8	Very low	103 Å²	103	142.6 Å²	142.6	72%	0.72	79%	0.793	S	S	*	*			trans	-148.6	135.3	170.7	175.5	0	0	0	0	107.9	S441	S441-S443 PolarHBondContact O-N 3.48Å
444	S	26.5	Very low	28.3	Very low	117 Å²	117	145.8 Å²	145.8	82%	0.818	80%	0.802	S	S	*	*			trans	65	86.7	175.8	73.1	0	0	0	0	117.9
445	A	27.1	Very low	27.6	Very low	102 Å²	102	148 Å²	148	84%	0.843	81%	0.81	S	S	*	*			trans	-159.1	53	137.4	0	0	0	0	0	109.8	S447	A445-S447 PolarHBondContact O-N 3.26Å
446	F	23.3	Very low	27.4	Very low	224 Å²	224	147.8 Å²	147.8	98%	0.982	82%	0.815	S	S	*	*			trans	-75.1	87.7	151.5	-103.6	-92.4	0	0	0	105.5
447	S	28.6	Very low	27.1	Very low	104 Å²	104	145.9 Å²	145.9	73%	0.727	82%	0.816	S	S	*	*			trans	-133.6	113.9	164.3	-164.2	0	0	0	0	107.2	A445 C449	A445-S447 PolarHBondContact O-N 3.26Å; S447-C449 PolarHBondContact O-N 2.88Å
448	E	25.5	Very low	26.9	Very low	183 Å²	183	147 Å²	147	86%	0.855	82%	0.815	S	S	*	*			trans	-47.7	124.6	172.9	-68.3	162.2	137.1	0	0	110.7
449	C	22.7	Very low	26.6	Very low	126 Å²	126	149.7 Å²	149.7	85%	0.851	82%	0.821	S	S	*	*			trans	-130.8	93	151.9	-77.8	0	0	0	0	105.8	S447	S447-C449 PolarHBondContact O-N 2.88Å
450	M	23.4	Very low	26.5	Very low	173 Å²	173	145.6 Å²	145.6	85%	0.852	82%	0.816	S	S	*	*			trans	-60.1	154.7	157.1	-84.5	-90.7	150.7	0	0	109.6
451	E	25.8	Very low	26.3	Very low	162 Å²	162	147.8 Å²	147.8	76%	0.757	82%	0.818	S	S	*	*			trans	103.4	129.9	158.8	-59.4	-162.6	175.3	0	0	119.4
452	Q	28	Very low	26.3	Very low	167 Å²	167	148.4 Å²	148.4	78%	0.78	82%	0.82	S	S	*	*			trans	89.8	91	155.4	-68.1	166.4	41.9	0	0	117.4
453	S	24.5	Very low	26.1	Very low	106 Å²	106	147.6 Å²	147.6	74%	0.741	82%	0.816	S	S	*	*			trans	-39.6	124.4	142.4	51.2	0	0	0	0	112.2
454	D	29.9	Very low	26	Very low	159 Å²	159	154.1 Å²	154.1	85%	0.85	83%	0.825	S	S	*	*			trans	-149	123.2	140.6	-99.5	-26.1	0	0	0	109.5	N456	D454-N456 PolarHBondContact O-N 3.33Å
455	N	26.1	Very low	25.9	Very low	151 Å²	151	158.5 Å²	158.5	81%	0.807	83%	0.83	S	S	*	*			trans	-66.8	122.9	174	-61.5	-49.7	0	0	0	108.5
456	N	30.9	Very low	25.6	Very low	153 Å²	153	158 Å²	158	82%	0.818	82%	0.82	S	S	*	*			trans	-155.9	107.5	149.8	-90.3	-35.6	0	0	0	110.1	D454 I458	D454-N456 PolarHBondContact O-N 3.33Å; N456-I458 PolarHBondContact O-N 2.89Å
457	E	24.6	Very low	25.8	Very low	198 Å²	198	153.4 Å²	153.4	93%	0.925	81%	0.81	S	S	*	*			trans	-59.3	111.2	167	-66.6	172.8	141.3	0	0	109.6
458	I	29.7	Very low	25.7	Very low	139 Å²	139	152 Å²	152	71%	0.713	81%	0.812	S	S	*	*			trans	-124.7	106	160.2	-60.2	179.7	0	0	0	107.5	N456 L460	N456-I458 PolarHBondContact O-N 2.89Å; I458-L460 PolarHBondContact O-N 3.34Å
459	N	26.6	Very low	25.7	Very low	160 Å²	160	150.8 Å²	150.8	86%	0.856	81%	0.81	S	S	*	*			trans	-50.5	97.8	169.2	-93.4	-55.1	0	0	0	111	Q461	N459-Q461 PolarHBondContact O-N 3.48Å
460	L	25.2	Very low	25.9	Very low	162 Å²	162	152.2 Å²	152.2	85%	0.848	81%	0.809	S	S	*	*			trans	-89.2	91.6	167.1	-80.3	148.5	0	0	0	108.3	I458	I458-L460 PolarHBondContact O-N 3.34Å
461	Q	25.8	Very low	26	Very low	171 Å²	171	152.6 Å²	152.6	80%	0.799	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-63.7	138.4	168.6	-84.2	-162.6	-14.9	0	0	110.7	N459 C463	N459-Q461 PolarHBondContact O-N 3.48Å; Q461-C463 PolarHBondContact O-N 3.08Å
462	P	26	Very low	26.2	Very low	121 Å²	121	150.6 Å²	150.6	79%	0.786	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-72.2	123.9	177	-8.1	23.8	0	0	0	110.8	R464	P462-R464 PolarHBondContact O-N 3.1Å
463	C	23.1	Very low	26.3	Very low	119 Å²	119	150.5 Å²	150.5	80%	0.804	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-58.8	119.2	177.7	-61.9	0	0	0	0	111.8	Q461 F465	Q461-C463 PolarHBondContact O-N 3.08Å; C463-F465 PolarHBondContact O-N 2.97Å
464	R	22.1	Very low	26.4	Very low	239 Å²	239	154.6 Å²	154.6	90%	0.902	82%	0.819	S	S	*	*			trans	-74.6	114.3	170.6	-68.7	178.8	175	171.3	-1.2	109.4	P462 S466	P462-R464 PolarHBondContact O-N 3.1Å; R464-S466 PolarHBondContact O-N 3.19Å
465	F	24	Very low	26.2	Very low	210 Å²	210	151.3 Å²	151.3	92%	0.921	81%	0.814	S	S	*	*			trans	-76.6	112	162.1	-82.4	-82.3	0	0	0	108.7	C463	C463-F465 PolarHBondContact O-N 2.97Å
466	S	22.8	Very low	26.3	Very low	91 Å²	91	154.3 Å²	154.3	64%	0.636	82%	0.816	S	S	*	*			trans	-100	150.1	-178.7	71.9	0	0	0	0	111.4	R464	R464-S466 PolarHBondContact O-N 3.19Å
467	T	26.7	Very low	26.1	Very low	128 Å²	128	155.3 Å²	155.3	79%	0.785	82%	0.815	S	S	*	*			trans	71.5	109.5	140	53.7	0	0	0	0	119.7
468	G	26.7	Very low	26.2	Very low	75 Å²	75	155 Å²	155	77%	0.773	81%	0.811	S	S	*	*				86.9	88.9	104.8	0	0	0	0	0	115.9
469	I	26	Very low	26.3	Very low	157 Å²	157	155 Å²	155	81%	0.805	81%	0.813	S	S	*	*			trans	-97.4	110.6	161.9	-59.1	174.7	0	0	0	106.8
470	N	26.2	Very low	26.6	Very low	155 Å²	155	154.2 Å²	154.2	83%	0.829	81%	0.808	S	S	*	*			trans	-64.4	132.3	174.7	-93.6	-11.7	0	0	0	110.4
471	F	25.2	Very low	26.6	Very low	182 Å²	182	155.2 Å²	155.2	80%	0.798	81%	0.813	S	S	*	*			trans	-91.3	123.4	166.7	-79.7	-87.1	0	0	0	109.3	L473	F471-L473 PolarHBondContact O-N 3.38Å
472	P	30.5	Very low	26.6	Very low	120 Å²	120	155.3 Å²	155.3	78%	0.779	81%	0.814	S	S	*	*			trans	-72.4	115.5	167.7	-12.1	28.3	0	0	0	109.4
473	L	28.9	Very low	26.8	Very low	165 Å²	165	156.8 Å²	156.8	86%	0.864	82%	0.815	S	S	*	*			trans	-83.8	111.6	160.6	-84.6	100.7	0	0	0	107.4	F471	F471-L473 PolarHBondContact O-N 3.38Å
474	E	27.4	Very low	26.9	Very low	191 Å²	191	158.7 Å²	158.7	89%	0.893	82%	0.816	S	S	*	*			trans	-93.9	108.9	159.3	-76.6	-176	171.5	0	0	107.8
475	A	26.1	Very low	27.1	Very low	91 Å²	91	155.5 Å²	155.5	75%	0.752	82%	0.816	S	S	*	*			trans	-76.9	118.7	175.3	0	0	0	0	0	108.9
476	Y	28.1	Very low	27.3	Very low	214 Å²	214	151 Å²	151	84%	0.839	81%	0.808	S	S	*	*			trans	-87.5	111.2	167	-128.6	-97.8	0	0	0	107.6	F478	Y476-F478 PolarHBondContact O-N 3.17Å
477	E	27.3	Very low	27.4	Very low	174 Å²	174	154.8 Å²	154.8	81%	0.813	82%	0.82	S	S	*	*			trans	-68.1	111.8	175.4	-70.9	175.2	154.9	0	0	108.9
478	F	26.3	Very low	27.4	Very low	192 Å²	192	158.1 Å²	158.1	84%	0.842	83%	0.826	S	S	*	*			trans	-87.6	110.3	166.4	-108.7	-92.8	0	0	0	107.8	Y476	Y476-F478 PolarHBondContact O-N 3.17Å
479	D	31.4	Very low	27.1	Very low	139 Å²	139	164.1 Å²	164.1	74%	0.743	83%	0.826	S	S	*	*			trans	-60.2	135.5	175	-81	-43.7	0	0	0	111.6	L481	D479-L481 PolarHBondContact O-N 3.18Å; D479-L481 VanDerWaalsContact O-N 3.1Å
480	N	32.7	Very low	27.1	Very low	143 Å²	143	164 Å²	164	77%	0.765	82%	0.822	S	S	*	*			trans	-53.8	103.5	-175.1	-63.1	-62.1	0	0	0	113.3	E482	N480-E482 VanDerWaalsContact C-N 3.32Å; N480-E482 PolarHBondContact O-N 3.38Å
481	L	25	Very low	27.1	Very low	182 Å²	182	165.6 Å²	165.6	95%	0.953	82%	0.824	S	S	*	*			trans	-94.3	53.1	171	-133.2	95.9	0	0	0	110.9	D479	D479-L481 PolarHBondContact O-N 3.18Å; D479-L481 VanDerWaalsContact O-N 3.1Å
482	E	27	Very low	27.1	Very low	173 Å²	173	164 Å²	164	81%	0.808	82%	0.824	S	S	*	*			trans	-118.7	28.9	-173.3	-141.8	176.5	-153	0	0	113.9	N480	N480-E482 VanDerWaalsContact C-N 3.32Å; N480-E482 PolarHBondContact O-N 3.38Å
483	N	28.6	Very low	26.9	Very low	153 Å²	153	167.4 Å²	167.4	82%	0.818	83%	0.829	S	S	*	*			trans	-128.7	40.7	-176.7	-78.1	-34.3	0	0	0	114.6
484	I	25.6	Very low	26.7	Very low	159 Å²	159	167 Å²	167	82%	0.815	82%	0.822	S	S	*	*			trans	-146.4	71.5	163.1	-45.9	176	0	0	0	110.8
485	L	26.9	Very low	26.8	Very low	171 Å²	171	165.9 Å²	165.9	90%	0.895	82%	0.822	S	S	*	*			trans	-139	108	154.2	-77.9	-179.9	0	0	0	109.2	L487	L485-L487 PolarHBondContact O-N 2.98Å
486	P	27.6	Very low	26.7	Very low	117 Å²	117	167.6 Å²	167.6	76%	0.76	82%	0.819	S	S	*	*			trans	-66.6	127.2	176.2	-17.5	30.6	0	0	0	111.5	Q488	P486-Q488 PolarHBondContact O-N 3.1Å
487	L	24.4	Very low	26.8	Very low	169 Å²	169	162.8 Å²	162.8	89%	0.885	82%	0.816	S	S	*	*			trans	-55	99	166.3	-72.7	142.9	0	0	0	111.1	L485	L485-L487 PolarHBondContact O-N 2.98Å
488	Q	28.1	Very low	26.9	Very low	198 Å²	198	160.3 Å²	160.3	93%	0.925	81%	0.813	S	S	*	*			trans	-96.2	95.2	160.8	-97	179.2	-27.7	0	0	109.8	P486	P486-Q488 PolarHBondContact O-N 3.1Å
489	R	20.3	Very low	26.7	Very low	201 Å²	201	157.5 Å²	157.5	76%	0.758	82%	0.816	S	S	*	*			trans	-74.4	139.5	167.1	-101.7	-179.5	154.3	-165.3	-5	110.3
490	Q	24.5	Very low	26.5	Very low	154 Å²	154	161.9 Å²	161.9	72%	0.72	82%	0.822	S	S	*	*			trans	68.7	113	145.2	-62.7	172.2	-19.3	0	0	118
491	Q	27.2	Very low	26.1	Very low	190 Å²	190	166.7 Å²	166.7	89%	0.888	83%	0.829	S	S	*	*				-169.4	136.6	107.8	-98.6	175.6	38.9	0	0	111.5
492	N	24.6	Very low	26.2	Very low	148 Å²	148	162.3 Å²	162.3	79%	0.791	81%	0.814	S	S	*	*			trans	-70.4	141.7	-175.3	-56.8	-48.4	0	0	0	111.9
493	H	27.3	Very low	26.2	Very low	191 Å²	191	161.5 Å²	161.5	88%	0.884	82%	0.815	S	S	*	*			trans	-145.7	112.1	138.3	-85.8	-60.5	0	0	0	111
494	H	25	Very low	26	Very low	156 Å²	156	165.2 Å²	165.2	72%	0.722	82%	0.819	S	S	*	*			trans	-70.6	123.5	173.8	-136.5	-77.8	0	0	0	109	D496	H494-D496 IonicContact CE1-OD2 3.78Å; H494-D496 PolarHBondContact CE1-OD2 3.44Å; H494-D496 IonicContact ND1-OD2 3.65Å; H494-D496 PolarHBondContact ND1-OD2 3.43Å
495	L	29.3	Very low	26.1	Very low	168 Å²	168	162.8 Å²	162.8	88%	0.88	82%	0.816	S	S	*	*			trans	-130.3	85.4	163.4	-79.1	167.4	0	0	0	108.2	S497	L495-S497 PolarHBondContact O-N 3.1Å
496	D	23.7	Very low	25.9	Very low	128 Å²	128	160 Å²	160	68%	0.684	81%	0.811	S	S	*	*			trans	-69.8	115	163.8	-84.4	-41.5	0	0	0	108.8	H494	H494-D496 IonicContact CE1-OD2 3.78Å; H494-D496 PolarHBondContact CE1-OD2 3.44Å; H494-D496 IonicContact ND1-OD2 3.65Å; H494-D496 PolarHBondContact ND1-OD2 3.43Å
497	S	30.1	Very low	25.9	Very low	112 Å²	112	163.1 Å²	163.1	78%	0.783	82%	0.815	S	S	*	*			trans	-121.8	94	162.6	35.1	0	0	0	0	108.5	L495 C499	L495-S497 PolarHBondContact O-N 3.1Å; S497-C499 PolarHBondContact O-N 3.37Å
498	T	28.9	Very low	26	Very low	122 Å²	122	162.7 Å²	162.7	75%	0.748	81%	0.814	S	S	*	*			trans	-71.9	102.1	175.8	32.8	0	0	0	0	109.6	R500	T498-R500 PolarHBondContact O-N 3.39Å; T498-R500 VanDerWaalsContact O-N 3.17Å
499	C	22.7	Very low	25.8	Very low	133 Å²	133	161.5 Å²	161.5	90%	0.899	81%	0.813	S	S	*	*			trans	-74.1	99.6	172.8	-161	0	0	0	0	109.4	S497	S497-C499 PolarHBondContact O-N 3.37Å
500	R	27.8	Very low	25.9	Very low	232 Å²	232	156.6 Å²	156.6	88%	0.875	81%	0.809	S	S	*	*			trans	-78.4	119	173.2	-74.7	-177.1	176.4	169.5	-0.3	110	T498	T498-R500 PolarHBondContact O-N 3.39Å; T498-R500 VanDerWaalsContact O-N 3.17Å
501	R	23	Very low	25.8	Very low	243 Å²	243	154.6 Å²	154.6	92%	0.917	81%	0.812	S	S	*	*			trans	-69.9	128.3	162.5	-85.5	173.6	157.5	151.9	-6.7	109.1
502	S	27.9	Very low	25.6	Very low	90 Å²	90	152.2 Å²	152.2	63%	0.629	81%	0.81	S	S	*	*			trans	-119.5	117.2	165.8	54.4	0	0	0	0	108.9
503	D	26.5	Very low	25.5	Very low	157 Å²	157	151 Å²	151	84%	0.84	81%	0.813	S	S	*	*			trans	-73.6	121.1	176.9	-62.8	-47	0	0	0	109.8	S505	D503-S505 PolarHBondContact O-N 3.24Å
504	Y	25.7	Very low	25.3	Very low	230 Å²	230	145.1 Å²	145.1	90%	0.902	81%	0.805	S	S	*	*			trans	-83.4	107	173.5	-80	-90.8	0	0	0	109.4
505	S	25.8	Very low	25.2	Very low	108 Å²	108	142.5 Å²	142.5	76%	0.755	80%	0.803	S	S	*	*			trans	-96.6	124.7	163.1	61.5	0	0	0	0	110	D503	D503-S505 PolarHBondContact O-N 3.24Å
506	S	23.4	Very low	25	Very low	112 Å²	112	140.8 Å²	140.8	78%	0.783	80%	0.795	S	S	*	*			trans	-39.7	122	172.2	40.2	0	0	0	0	116.3
507	E	28	Very low	24.9	Very low	183 Å²	183	143.3 Å²	143.3	86%	0.855	80%	0.8	S	S	*	*			trans	-114.2	133.5	158	-73.9	-168.5	168.9	0	0	110.5	I509	E507-I509 PolarHBondContact O-N 3.14Å
508	N	25.3	Very low	24.9	Very low	161 Å²	161	145.7 Å²	145.7	86%	0.861	81%	0.805	S	S	*	*			trans	-70.6	121.1	-173.7	-67.8	-52.7	0	0	0	111.5	S510	N508-S510 PolarHBondContact O-N 3.36Å
509	I	24.5	Very low	24.7	Very low	173 Å²	173	148.7 Å²	148.7	89%	0.887	81%	0.807	S	S	*	*			trans	-80.7	103.4	170.3	-62.2	173.7	0	0	0	107.9	E507	E507-I509 PolarHBondContact O-N 3.14Å
510	S	23.1	Very low	24.9	Very low	98 Å²	98	150.5 Å²	150.5	69%	0.685	81%	0.808	S	S	*	*			trans	-73.8	128	170.3	55.3	0	0	0	0	110.9	N508	N508-S510 PolarHBondContact O-N 3.36Å
511	S	21.5	Very low	24.8	Very low	111 Å²	111	147 Å²	147	78%	0.776	80%	0.802	S	S	*	*			trans	-25.3	120.8	163.1	53.9	0	0	0	0	116.5
512	V	24.6	Very low	24.8	Very low	141 Å²	141	145.6 Å²	145.6	86%	0.855	80%	0.802	S	S	*	*			trans	-125	98.7	153.5	177.2	0	0	0	0	107.7
513	S	21.8	Very low	24.7	Very low	121 Å²	121	147.6 Å²	147.6	85%	0.846	81%	0.805	S	S	*	*			trans	-82.2	115.9	164.1	52	0	0	0	0	108.4
514	G	23.6	Very low	24.7	Very low	69 Å²	69	144.2 Å²	144.2	71%	0.711	80%	0.798	S	S	*	*			trans	-159.1	98.9	-179.2	0	0	0	0	0	111.6
515	S	21.5	Very low	24.7	Very low	100 Å²	100	140 Å²	140	70%	0.699	79%	0.791	S	S	*	*			trans	-53.2	139.5	174.3	52.3	0	0	0	0	115.2
516	N	25.4	Very low	24.9	Very low	133 Å²	133	142.8 Å²	142.8	71%	0.711	79%	0.792	S	S	*	*				149.5	120.2	118.8	-81.3	-33.7	0	0	0	112.4
517	F	22.2	Very low	25.2	Very low	180 Å²	180	144.3 Å²	144.3	79%	0.789	79%	0.791	S	S	*	*			trans	31.9	112.4	139.3	-75.9	-94.5	0	0	0	118.4
518	D	30.7	Very low	25.2	Very low	163 Å²	163	142.4 Å²	142.4	87%	0.872	79%	0.787	S	S	*	*				-161.8	145.2	109.8	-105.7	-30.8	0	0	0	112.8
519	K	23.8	Very low	25.5	Very low	185 Å²	185	138.6 Å²	138.6	80%	0.804	78%	0.778	S	S	*	*			trans	-67.5	133.6	-176.3	-65.7	166	175	174.3	0	110.7
520	N	27.7	Very low	25.6	Very low	171 Å²	171	137.8 Å²	137.8	91%	0.914	77%	0.771	S	S	*	*			trans	-157	134.8	135.2	-93.2	-26	0	0	0	111
521	E	24.7	Very low	25.9	Very low	158 Å²	158	141.2 Å²	141.2	74%	0.738	78%	0.776	S	S	*	*			trans	-83.5	113.7	-165.1	-179.7	178.2	-177.6	0	0	110.4
522	F	23.4	Very low	26.2	Very low	213 Å²	213	142.6 Å²	142.6	93%	0.934	77%	0.77	S	S	*	*			trans	-137.3	104.4	156.8	-113	-89.5	0	0	0	108.7	A524	F522-A524 PolarHBondContact O-N 2.97Å
523	I	24.5	Very low	26.6	Very low	132 Å²	132	143.3 Å²	143.3	68%	0.677	76%	0.763	S	S	*	*			trans	-77.3	97.9	179	-61.2	167.4	0	0	0	107.1	L525	I523-L525 HydrophobicContact CG2-CD1 3.83Å; I523-L525 HydrophobicContact CG2-CG 4.39Å
524	A	27	Very low	27.2	Very low	86 Å²	86	143 Å²	143	71%	0.711	75%	0.751	S	S	*	*			trans	-112.6	105.6	161	0	0	0	0	0	107.1	F522 E526	F522-A524 PolarHBondContact O-N 2.97Å; A524-E526 PolarHBondContact O-N 3.41Å
525	L	25.7	Very low	27.9	Very low	143 Å²	143	145 Å²	145	75%	0.749	75%	0.75	S	S	*	*			trans	-68.4	81.4	174.4	-71.8	109.7	0	0	0	109.5	I523 N527	I523-L525 HydrophobicContact CG2-CD1 3.83Å; I523-L525 HydrophobicContact CG2-CG 4.39Å; L525-N527 PolarHBondContact O-N 3.06Å
526	E	30.7	Very low	29	Very low	166 Å²	166	147 Å²	147	78%	0.776	75%	0.748	S	S	*	*			trans	-83.7	101.1	156	-78.2	-176.9	166.9	0	0	107.1	A524 N528	A524-E526 PolarHBondContact O-N 3.41Å; E526-N528 VanDerWaalsContact C-N 3.29Å; E526-N528 PolarHBondContact O-N 2.71Å
527	N	30.4	Very low	30.1	Very low	143 Å²	143	147.3 Å²	147.3	77%	0.765	76%	0.755	S	S	*	*			trans	-59.9	97.8	167.4	-72.7	-33.8	0	0	0	107.6	L525 A529	L525-N527 PolarHBondContact O-N 3.06Å; N527-A529 PolarHBondContact O-N 3.14Å
528	N	26.6	Very low	31.9	Very low	144 Å²	144	143.3 Å²	143.3	77%	0.77	74%	0.741	S	S	*	*			trans	-64.5	70.3	162.9	-66.9	-35.2	0	0	0	108.9	E526 E530	E526-N528 VanDerWaalsContact C-N 3.29Å; E526-N528 PolarHBondContact O-N 2.71Å; N528-E530 VanDerWaalsContact C-N 3.3Å; N528-E530 PolarHBondContact O-N 3.08Å
529	A	31.3	Very low	33.9	Very low	81 Å²	81	141.2 Å²	141.2	67%	0.669	74%	0.735	S	S	*	*			trans	-76.4	97.8	152.5	0	0	0	0	0	104.9	N527 E531	N527-A529 PolarHBondContact O-N 3.14Å; A529-E531 PolarHBondContact O-N 3.43Å
530	E	27.2	Very low	36.4	Very low	156 Å²	156	135 Å²	135	73%	0.729	71%	0.714	S	S	*	*			trans	-59.4	78.1	170.7	-62.2	177.7	-178.5	0	0	109.6	N528 Q532	N528-E530 VanDerWaalsContact C-N 3.3Å; N528-E530 PolarHBondContact O-N 3.08Å; E530-Q532 HydrophobicContact CB-CG 4.29Å; E530-Q532 PolarHBondContact O-N 2.88Å; E530-Q532 PolarHBondContact OE2-NE2 3.37Å
531	E	30.7	Very low	39	Very low	170 Å²	170	130.7 Å²	130.7	79%	0.794	69%	0.693	S	S	*	*			trans	-73.7	83	157.5	-76.3	-169	174	0	0	106.6	A529 H533	A529-E531 PolarHBondContact O-N 3.43Å; E531-H533 PolarHBondContact O-N 3.13Å
532	Q	27.7	Very low	42	Very low	139 Å²	139	126.2 Å²	126.2	65%	0.65	67%	0.67	S	S	*	*			trans	-57.4	94	169	-64	-178.7	1.4	0	0	107.6	E530 I534	E530-Q532 HydrophobicContact CB-CG 4.29Å; E530-Q532 PolarHBondContact O-N 2.88Å; E530-Q532 PolarHBondContact OE2-NE2 3.37Å; Q532-I534 HydrophobicContact CB-CD1 4.35Å; Q532-I534 HydrophobicContact CB-CG1 4.31Å; Q532-I534 PolarHBondContact O-N 3.03Å
533	H	32.5	Very low	45.3	Very low	156 Å²	156	120.8 Å²	120.8	72%	0.722	65%	0.649	S	S	*	*			trans	-74.8	58.6	179.5	-143.2	-86.5	0	0	0	109.3	E531 T535	E531-H533 PolarHBondContact O-N 3.13Å; H533-T535 VanDerWaalsContact C-N 3.29Å; H533-T535 PolarHBondContact O-N 3.07Å
534	I	34.5	Very low	48.6	Very low	115 Å²	115	114.6 Å²	114.6	59%	0.59	62%	0.618	S	S	*	*			trans	-78.5	88.6	171.2	-56.5	171.3	0	0	0	105.6	Q532 E536	Q532-I534 HydrophobicContact CB-CD1 4.35Å; Q532-I534 HydrophobicContact CB-CG1 4.31Å; Q532-I534 PolarHBondContact O-N 3.03Å; I534-E536 HydrophobicContact CG2-CG 3.94Å; I534-E536 PolarHBondContact O-N 3.26Å
535	T	38.6	Very low	51.8	Low	112 Å²	112	112.1 Å²	112.1	69%	0.687	59%	0.591	S	S	*	*			trans	-69.9	67.2	168.4	43.6	0	0	0	0	109.5	H533 T537	H533-T535 VanDerWaalsContact C-N 3.29Å; H533-T535 PolarHBondContact O-N 3.07Å; T535-T537 PolarHBondContact O-N 2.88Å
536	E	44.5	Very low	55.1	Low	141 Å²	141	105.3 Å²	105.3	66%	0.659	56%	0.555	S	S	*	*			trans	-64.4	120.1	159.5	-89.4	173.5	-174.1	0	0	107.2	I534 L538	I534-E536 HydrophobicContact CG2-CG 3.94Å; I534-E536 PolarHBondContact O-N 3.26Å; E536-L538 PolarHBondContact O-N 3.11Å
537	T	46.6	Very low	58.1	Low	140 Å²	140	97.5 Å²	97.5	86%	0.859	52%	0.518	S	S	*	.			trans	-67.2	71.6	177.3	52.2	0	0	0	0	110	T535 T539	T535-T537 PolarHBondContact O-N 2.88Å; T537-T539 PolarHBondContact O-N 3.36Å
538	L	61.4	Low	61.1	Low	95 Å²	95	90.7 Å²	90.7	50%	0.497	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-67.9	118	173.3	-71.5	166.5	0	0	0	107.9	E536 V591	E536-L538 PolarHBondContact O-N 3.11Å; L538-V591 HydrophobicContact CB-CG2 3.75Å; L538-V591 HydrophobicContact CD1-CG2 4.06Å
539	T	71.3	Confident	64.2	Low	119 Å²	119	83.8 Å²	83.8	73%	0.73	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-64.8	138	171.3	48.6	0	0	0	0	109	T537 T541	T537-T539 PolarHBondContact O-N 3.36Å; T539-T541 PolarHBondContact O-N 3.45Å
540	P	78.2	Confident	67	Low	56 Å²	56	80 Å²	80	36%	0.364	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-62.6	127.7	179	25.3	-32.4	0	0	0	109.5	V591 T593	P540-V591 CarbonylContact C-O 3.54Å; P540-V591 HydrophobicContact CB-CG1 4.33Å; P540-T593 WeakPolarHBondContact CB-OG1 3.38Å; P540-T593 WeakPolarHBondContact CG-OG1 3.4Å
541	T	81.5	Confident	70	Confident	80 Å²	80	73.3 Å²	73.3	49%	0.491	38%	0.383	S	S	.	.	S	Bend	trans	-70.7	-39.1	-177.3	51.7	0	0	0	0	111.9	T539 V591	T539-T541 PolarHBondContact O-N 3.45Å; T541-V591 PolarHBondContact N-O 3.06Å; T541-V591 PolarHBondContact OG1-O 3.43Å
542	R	87.8	Confident	72.8	Confident	64 Å²	64	67.7 Å²	67.7	24%	0.242	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	153.5	-175	-76.1	155.6	-179.6	-151.5	15.4	110.3	F544 Y592 T593 E730 D731	R542-F544 HydrophobicContact CB-CZ 4.37Å; R542-Y592 HydrophobicContact CB-CD1 3.97Å; R542-Y592 HydrophobicContact CB-CE1 4.25Å; R542-T593 PolarHBondContact O-N 3.47Å; R542-E730 WeakPolarHBondContact CD-OE2 3.36Å; R542-E730 IonicContact CZ-OE2 3.72Å; R542-E730 IonicContact NE-OE1 3.78Å; R542-E730 IonicContact NE-OE2 2.68Å; R542-E730 PolarHBondContact NE-OE2 2.87Å; R542-E730 IonicContact NH1-OE2 2.69Å; R542-E730 PolarHBondContact NH1-OE2 2.97Å; R542-D731 IonicContact CZ-OD1 3.72Å; R542-D731 IonicContact NH1-OD1 3.18Å; R542-D731 PolarHBondContact NH1-OD1 3.35Å; R542-D731 IonicContact NH2-OD1 3.39Å; R542-D731 PolarHBondContact NH2-OD1 2.9Å
543	I	92.3	Very high	75.7	Confident	98 Å²	98	63.7 Å²	63.7	50%	0.503	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.8	177.5	-54.6	178.3	0	0	0	107.2	T593 Q595	I543-T593 CarbonylContact C-O 3.53Å; I543-T593 WeakPolarHBondContact CA-O 3.39Å; I543-T593 HydrophobicContact CG2-CG2 4.23Å; I543-Q595 HydrophobicContact CG2-CG 3.99Å; I543-Q595 VanDerWaalsContact CG2-NE2 3.34Å
544	F	94.8	Very high	78.6	Confident	3 Å²	3	56.2 Å²	56.2	1%	0.013	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.2	177	-66.8	-52.5	0	0	0	111.4	R542 Y592 T593 I594 Q595 D617 T723 M726 K727 E730	R542-F544 HydrophobicContact CB-CZ 4.37Å; F544-Y592 HydrophobicContact CD2-CD1 4.06Å; F544-Y592 AromaticContact CE2-CD1 3.36Å; F544-Y592 HydrophobicContact CE2-CD1 3.36Å; F544-Y592 AromaticContact CE2-CE1 3.81Å; F544-Y592 HydrophobicContact CE2-CE1 3.81Å; F544-Y592 HydrophobicContact CE2-CG 4.15Å; F544-Y592 HydrophobicContact CZ-CD1 4.14Å; F544-Y592 HydrophobicContact CZ-CE1 4.25Å; F544-T593 PolarHBondContact N-O 3.44Å; F544-I594 HydrophobicContact CB-CD1 4.06Å; F544-I594 HydrophobicContact CD2-CD1 3.98Å; F544-Q595 PolarHBondContact O-N 3.49Å; F544-D617 WeakPolarHBondContact CA-OD2 3.35Å; F544-D617 HydrophobicContact CB-CB 4.31Å; F544-D617 HydrophobicContact CD1-CB 3.93Å; F544-T723 HydrophobicContact CD2-CG2 4.02Å; F544-T723 HydrophobicContact CE2-CG2 3.89Å; F544-M726 HydrophobicContact CB-CE 3.58Å; F544-M726 HydrophobicContact CB-SD 3.77Å; F544-M726 HydrophobicContact CD1-CB 3.92Å; F544-M726 HydrophobicContact CD1-SD 4.36Å; F544-M726 HydrophobicContact CD2-CB 4.32Å; F544-M726 HydrophobicContact CD2-CE 3.88Å; F544-M726 HydrophobicContact CE1-CB 3.92Å; F544-M726 HydrophobicContact CE2-CB 4.29Å; F544-M726 HydrophobicContact CG-CB 4.14Å; F544-M726 HydrophobicContact CG-CE 3.8Å; F544-M726 HydrophobicContact CG-SD 4.04Å; F544-M726 HydrophobicContact CZ-CB 4.11Å; F544-K727 HydrophobicContact CZ-CB 4.34Å; F544-E730 WeakPolarHBondContact CE1-OE2 3.38Å
545	K	94.1	Very high	81.4	Confident	33 Å²	33	51.4 Å²	51.4	14%	0.143	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	113.4	175.1	-179.2	172.3	173.3	-156.9	0	110.5	Y612 R614 I616 D617 G618	K545-Y612 PolarHBondContact NZ-O 3.44Å; K545-R614 PolarHBondContact NZ-O 2.96Å; K545-I616 HydrophobicContact CD-CG2 4.3Å; K545-I616 HydrophobicContact CG-CG2 4.32Å; K545-D617 PolarHBondContact N-OD2 3.27Å; K545-D617 PolarHBondContact O-N 2.98Å; K545-G618 PolarHBondContact O-N 3.27Å
546	V	95.2	Very high	84	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.6	179.9	177.7	0	0	0	0	110.1	I594 Q595 L596 W597 G618 V620 L722 M726	V546-I594 HydrophobicContact CG2-CG2 4.22Å; V546-Q595 PolarHBondContact N-O 3.05Å; V546-Q595 VanDerWaalsContact O-O 3.08Å; V546-L596 HydrophobicContact CB-CD2 4Å; V546-L596 HydrophobicContact CG1-CD2 4.06Å; V546-W597 PolarHBondContact O-N 2.97Å; V546-G618 WeakPolarHBondContact CA-O 3.19Å; V546-V620 HydrophobicContact CG1-CG2 3.72Å; V546-L722 HydrophobicContact CB-CD2 4.39Å; V546-L722 HydrophobicContact CG1-CD2 3.58Å; V546-L722 HydrophobicContact CG2-CD2 3.84Å; V546-M726 HydrophobicContact CG2-CE 3.64Å; V546-M726 HydrophobicContact CG2-SD 3.61Å
547	I	92.9	Very high	86.3	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136.5	174.5	-166.6	172.5	0	0	0	111	V549 W597 T599 V609 F613 I616 G618 V619 V620	I547-V549 HydrophobicContact CD1-CG1 4.31Å; I547-V549 HydrophobicContact CG1-CG1 4.15Å; I547-V549 HydrophobicContact CG2-CG1 4.46Å; I547-W597 HydrophobicContact CB-CB 4.47Å; I547-W597 HydrophobicContact CG1-CB 4.31Å; I547-T599 HydrophobicContact CD1-CG2 3.89Å; I547-T599 HydrophobicContact CG1-CG2 3.78Å; I547-V609 HydrophobicContact CD1-CG1 4.11Å; I547-F613 HydrophobicContact CD1-CD2 4.47Å; I547-F613 HydrophobicContact CD1-CE2 4.46Å; I547-F613 HydrophobicContact CG2-CE1 4.22Å; I547-I616 HydrophobicContact CB-CG2 4.47Å; I547-I616 HydrophobicContact CG2-CD1 3.89Å; I547-I616 HydrophobicContact CG2-CG2 4.38Å; I547-G618 PolarHBondContact N-O 2.96Å; I547-G618 VanDerWaalsContact N-O 3.17Å; I547-V619 HydrophobicContact CG2-CB 4.29Å; I547-V619 HydrophobicContact CG2-CG1 4.11Å; I547-V619 HydrophobicContact CG2-CG2 3.88Å; I547-V620 PolarHBondContact O-N 3.3Å
548	L	93.6	Very high	88.6	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	123.9	174	-50.6	-177.8	0	0	0	109.2	K556 L596 W597 D598 T599 V620	L548-K556 HydrophobicContact CB-CB 4.15Å; L548-K556 HydrophobicContact CB-CD 4.32Å; L548-K556 HydrophobicContact CB-CG 4.45Å; L548-K556 HydrophobicContact CD1-CB 4.38Å; L548-K556 WeakPolarHBondContact CD1-O 3.45Å; L548-L596 HydrophobicContact CD2-CD2 4.35Å; L548-W597 PolarHBondContact N-O 2.94Å; L548-D598 HydrophobicContact CD1-CB 4.14Å; L548-T599 PolarHBondContact O-OG1 2.96Å; L548-V620 HydrophobicContact CD2-CB 3.6Å; L548-V620 HydrophobicContact CD2-CG1 4.14Å; L548-V620 HydrophobicContact CD2-CG2 3.85Å
549	V	91.2	Very high	90.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	159.3	-178.8	-65.3	0	0	0	0	111.4	I547 V609 F613 V619 V620 L621 M622 W637 I641	I547-V549 HydrophobicContact CD1-CG1 4.31Å; I547-V549 HydrophobicContact CG1-CG1 4.15Å; I547-V549 HydrophobicContact CG2-CG1 4.46Å; V549-V609 HydrophobicContact CG1-CG1 4.08Å; V549-F613 HydrophobicContact CG1-CZ 4.14Å; V549-V619 HydrophobicContact CG2-CG1 3.56Å; V549-V620 WeakPolarHBondContact CG2-O 3.38Å; V549-V620 PolarHBondContact N-O 3.42Å; V549-L621 HydrophobicContact CG2-CB 4.21Å; V549-L621 HydrophobicContact CG2-CD1 4Å; V549-L621 WeakPolarHBondContact O-CA 3.19Å; V549-M622 PolarHBondContact O-N 3.14Å; V549-W637 HydrophobicContact CB-CE3 4.21Å; V549-W637 HydrophobicContact CB-CZ3 4.35Å; V549-I641 HydrophobicContact CG2-CD1 3.94Å; V549-I641 HydrophobicContact CG2-CG1 4.38Å
550	G	91.1	Very high	91.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	136.6	170.1	-173.3	0	0	0	0	0	111.2	K556 W637	G550-K556 PolarHBondContact O-NZ 2.74Å; G550-W637 WeakPolarHBondContact O-CZ2 3.47Å
551	D	90	Very high	92.1	Very high	17 Å²	17	24.1 Å²	24.1	9%	0.091	14%	0.144	C	C	.	.			trans	-62.9	166.3	-177.3	-75.5	-5.7	0	0	0	113.3	V554 K556 R606 T630 N633 W637	D551-V554 HydrophobicContact CB-CG1 4.11Å; D551-V554 VanDerWaalsContact O-CG2 3.26Å; D551-V554 WeakPolarHBondContact O-CG2 3.39Å; D551-K556 PolarHBondContact O-NZ 3.06Å; D551-R606 IonicContact OD1-NH2 3.22Å; D551-R606 PolarHBondContact OD1-NH2 2.86Å; D551-T630 HydrophobicContact CB-CG2 3.99Å; D551-N633 WeakPolarHBondContact OD2-CB 3.3Å; D551-N633 PolarHBondContact OD2-ND2 2.89Å; D551-W637 PolarHBondContact OD1-NE1 3.44Å
552	S	88.2	Confident	92.7	Very high	51 Å²	51	22.1 Å²	22.1	36%	0.357	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	148.5	172.6	55.4	0	0	0	0	111.1	V554 G601 Q602	S552-V554 VanDerWaalsContact C-N 3.26Å; S552-V554 PolarHBondContact O-N 3.33Å; S552-G601 PolarHBondContact N-O 3.44Å; S552-G601 VanDerWaalsContact N-O 3.15Å; S552-Q602 VanDerWaalsContact CB-OE1 3.27Å; S552-Q602 PolarHBondContact OG-OE1 3.47Å; S552-Q602 VanDerWaalsContact OG-OE1 3.09Å
553	G	89.5	Confident	93.1	Very high	55 Å²	55	19.5 Å²	19.5	57%	0.567	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	-2.1	177	0	0	0	0	0	116.9	G555 K658	G553-G555 VanDerWaalsContact C-N 3.29Å; G553-G555 PolarHBondContact O-N 3.41Å; G553-K658 WeakPolarHBondContact O-CE 3.39Å; G553-K658 PolarHBondContact O-NZ 3.04Å
554	V	93	Very high	93.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-74.2	-15.9	179.7	-55.8	0	0	0	0	114.6	D551 S552 K556 M622 A624 T630 N657	D551-V554 HydrophobicContact CB-CG1 4.11Å; D551-V554 VanDerWaalsContact O-CG2 3.26Å; D551-V554 WeakPolarHBondContact O-CG2 3.39Å; S552-V554 VanDerWaalsContact C-N 3.26Å; S552-V554 PolarHBondContact O-N 3.33Å; V554-K556 HydrophobicContact CG2-CD 4.38Å; V554-K556 HydrophobicContact CG2-CG 3.69Å; V554-M622 HydrophobicContact CG2-CB 3.8Å; V554-A624 HydrophobicContact CB-CB 4.33Å; V554-A624 HydrophobicContact CG1-CB 4.35Å; V554-T630 HydrophobicContact CG1-CG2 3.71Å; V554-N657 PolarHBondContact O-ND2 3Å
555	G	93.4	Very high	93	Very high	13 Å²	13	19.3 Å²	19.3	13%	0.134	12%	0.119	C	C	.	.	S	Bend	trans	100.7	23.3	176.4	0	0	0	0	0	116.4	G553 S558 F559	G553-G555 VanDerWaalsContact C-N 3.29Å; G553-G555 PolarHBondContact O-N 3.41Å; G555-S558 PolarHBondContact O-N 3.44Å; G555-F559 VanDerWaalsContact O-CB 3.29Å; G555-F559 WeakPolarHBondContact O-CB 3.36Å; G555-F559 PolarHBondContact O-N 3.31Å
556	K	93.4	Very high	92.8	Very high	8 Å²	8	19.2 Å²	19.2	4%	0.035	13%	0.127	C	C	.	.	H	α-helix	trans	-54.6	-52.1	175.6	-57.5	-176.2	-63.7	-77.9	0	112.9	L548 G550 D551 V554 F559 S560 D598 T599 M622	L548-K556 HydrophobicContact CB-CB 4.15Å; L548-K556 HydrophobicContact CB-CD 4.32Å; L548-K556 HydrophobicContact CB-CG 4.45Å; L548-K556 HydrophobicContact CD1-CB 4.38Å; L548-K556 WeakPolarHBondContact CD1-O 3.45Å; G550-K556 PolarHBondContact O-NZ 2.74Å; D551-K556 PolarHBondContact O-NZ 3.06Å; V554-K556 HydrophobicContact CG2-CD 4.38Å; V554-K556 HydrophobicContact CG2-CG 3.69Å; K556-F559 WeakPolarHBondContact O-CB 3.43Å; K556-F559 PolarHBondContact O-N 2.99Å; K556-S560 PolarHBondContact O-N 3.44Å; K556-D598 VanDerWaalsContact CB-OD1 3.27Å; K556-D598 WeakPolarHBondContact CB-OD1 3.43Å; K556-T599 WeakPolarHBondContact CE-O 3.4Å; K556-M622 HydrophobicContact CB-SD 4.24Å; K556-M622 HydrophobicContact CG-CB 4.27Å; K556-M622 HydrophobicContact CG-CG 4.4Å; K556-M622 HydrophobicContact CG-SD 4Å
557	S	92.5	Very high	92.6	Very high	15 Å²	15	22.7 Å²	22.7	11%	0.105	15%	0.145	C	C	.	.	H	α-helix	trans	-65.4	-46	-179.8	-43	0	0	0	0	111.2	F559 S560 Y561 L572 T575 D598	S557-F559 PolarHBondContact O-N 3.31Å; S557-S560 WeakPolarHBondContact O-CB 3.3Å; S557-S560 PolarHBondContact O-N 2.85Å; S557-Y561 WeakPolarHBondContact O-CD2 3.29Å; S557-Y561 PolarHBondContact O-N 3.18Å; S557-L572 VanDerWaalsContact CB-CD2 3.48Å; S557-T575 PolarHBondContact OG-OG1 3.18Å; S557-D598 WeakPolarHBondContact CA-OD2 3.39Å; S557-D598 WeakPolarHBondContact CB-OD2 3.44Å; S557-D598 PolarHBondContact N-OD1 2.86Å; S557-D598 PolarHBondContact OG-OD1 2.97Å; S557-D598 PolarHBondContact OG-OD2 3.24Å
558	S	94.4	Very high	92.5	Very high	19 Å²	19	25.2 Å²	25.2	13%	0.133	16%	0.156	C	C	.	.	H	α-helix	trans	-57.4	-39.5	174.2	-48.6	0	0	0	0	111.8	G555 R562 V709	G555-S558 PolarHBondContact O-N 3.44Å; S558-R562 WeakPolarHBondContact O-CB 3.42Å; S558-R562 PolarHBondContact O-N 3.19Å; S558-V709 WeakPolarHBondContact O-CG1 3.46Å
559	F	95.9	Very high	92.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.6	-45.1	174.9	-177.4	-83.8	0	0	0	111.1	G555 K556 S557 R562 F563 M622 T707 V709 I715 A718 I719	G555-F559 VanDerWaalsContact O-CB 3.29Å; G555-F559 WeakPolarHBondContact O-CB 3.36Å; G555-F559 PolarHBondContact O-N 3.31Å; K556-F559 WeakPolarHBondContact O-CB 3.43Å; K556-F559 PolarHBondContact O-N 2.99Å; S557-F559 PolarHBondContact O-N 3.31Å; F559-R562 PolarHBondContact O-N 2.96Å; F559-F563 WeakPolarHBondContact O-CB 3.48Å; F559-F563 PolarHBondContact O-N 3.01Å; F559-M622 HydrophobicContact CB-CE 3.94Å; F559-M622 HydrophobicContact CB-SD 4.03Å; F559-M622 HydrophobicContact CD2-CE 4.16Å; F559-M622 HydrophobicContact CG-CE 4.22Å; F559-M622 HydrophobicContact CG-SD 4.2Å; F559-T707 HydrophobicContact CE2-CG2 4.35Å; F559-V709 HydrophobicContact CB-CG2 3.82Å; F559-V709 HydrophobicContact CD2-CG2 3.84Å; F559-V709 HydrophobicContact CG-CG2 4.31Å; F559-I715 HydrophobicContact CD2-CG2 4.25Å; F559-I715 HydrophobicContact CE2-CB 4.31Å; F559-I715 HydrophobicContact CE2-CG1 4.4Å; F559-I715 HydrophobicContact CE2-CG2 3.81Å; F559-I715 HydrophobicContact CZ-CG2 4.01Å; F559-A718 HydrophobicContact CE2-CB 4.39Å; F559-A718 HydrophobicContact CZ-CB 4.17Å; F559-I719 HydrophobicContact CE1-CD1 3.83Å; F559-I719 HydrophobicContact CE1-CG1 4.1Å; F559-I719 HydrophobicContact CZ-CD1 4.12Å; F559-I719 HydrophobicContact CZ-CG1 4.07Å
560	S	94.7	Very high	91.7	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-60.9	-47.7	176.5	-165.5	0	0	0	0	112.5	K556 S557 R562 C564	K556-S560 PolarHBondContact O-N 3.44Å; S557-S560 WeakPolarHBondContact O-CB 3.3Å; S557-S560 PolarHBondContact O-N 2.85Å; S560-R562 VanDerWaalsContact C-N 3.35Å; S560-C564 VanDerWaalsContact O-CB 3.32Å; S560-C564 WeakPolarHBondContact O-CB 3.39Å; S560-C564 PolarHBondContact O-N 3.35Å
561	Y	94.1	Very high	91.3	Very high	48 Å²	48	44 Å²	44	19%	0.188	25%	0.25	C	S	.	.	H	α-helix	trans	-61	-44.3	175.7	-82	-72.7	0	0	0	111.7	S557 D565 G566 I567 Y569 L572 R581	S557-Y561 WeakPolarHBondContact O-CD2 3.29Å; S557-Y561 PolarHBondContact O-N 3.18Å; Y561-D565 WeakPolarHBondContact CD1-OD2 3.37Å; Y561-D565 WeakPolarHBondContact O-CA 3.31Å; Y561-D565 WeakPolarHBondContact O-CB 3.1Å; Y561-D565 PolarHBondContact O-N 2.78Å; Y561-G566 PolarHBondContact O-N 2.88Å; Y561-I567 CarbonylContact C-O 3.5Å; Y561-Y569 HydrophobicContact CD1-CD2 4.26Å; Y561-Y569 AromaticContact CD1-CE2 3.68Å; Y561-Y569 HydrophobicContact CD1-CE2 3.68Å; Y561-Y569 HydrophobicContact CD2-CD2 4.36Å; Y561-Y569 AromaticContact CE1-CE2 3.93Å; Y561-Y569 HydrophobicContact CE1-CE2 3.93Å; Y561-Y569 HydrophobicContact CG-CD2 4.14Å; Y561-Y569 HydrophobicContact CG-CE2 4.01Å; Y561-L572 HydrophobicContact CD2-CD1 4.42Å; Y561-L572 HydrophobicContact CD2-CD2 3.93Å; Y561-L572 HydrophobicContact CE2-CD1 3.89Å; Y561-L572 HydrophobicContact CE2-CD2 3.93Å; Y561-R581 PolarHBondContact OH-NH2 3.07Å; Y561-R581 VanDerWaalsContact OH-NH2 3.08Å
562	R	94.7	Very high	90.9	Very high	37 Å²	37	46 Å²	46	14%	0.14	26%	0.26	C	S	.	.	H	α-helix	trans	-68.8	-39.5	-177	-178.1	62.4	99.9	-166.9	4.4	112.1	S558 F559 S560 G566 I567 V709 L710 K712 I715	S558-R562 WeakPolarHBondContact O-CB 3.42Å; S558-R562 PolarHBondContact O-N 3.19Å; F559-R562 PolarHBondContact O-N 2.96Å; S560-R562 VanDerWaalsContact C-N 3.35Å; R562-G566 PolarHBondContact NH1-O 2.91Å; R562-G566 WeakPolarHBondContact O-CA 3.47Å; R562-G566 PolarHBondContact O-N 3.48Å; R562-G566 VanDerWaalsContact O-N 3.15Å; R562-I567 VanDerWaalsContact CA-O 3.23Å; R562-I567 WeakPolarHBondContact CA-O 3.36Å; R562-I567 PolarHBondContact N-O 3.22Å; R562-V709 HydrophobicContact CB-CG1 3.73Å; R562-V709 HydrophobicContact CG-CG1 4.17Å; R562-V709 PolarHBondContact NE-O 3.23Å; R562-L710 PolarHBondContact NH2-O 3.24Å; R562-K712 HydrophobicContact CG-CG 4.44Å; R562-K712 VanDerWaalsContact NH1-CE 3.31Å; R562-I715 HydrophobicContact CB-CD1 4.05Å; R562-I715 HydrophobicContact CG-CD1 3.19Å
563	F	95.7	Very high	90.5	Very high	9 Å²	9	51.2 Å²	51.2	4%	0.039	27%	0.272	C	S	.	.	H	α-helix	trans	-69.1	-51	176.6	175.3	-105.8	0	0	0	111.5	F559 K583 I585 I594 L596 I715 I719	F559-F563 WeakPolarHBondContact O-CB 3.48Å; F559-F563 PolarHBondContact O-N 3.01Å; F563-K583 HydrophobicContact CD1-CB 4.42Å; F563-K583 HydrophobicContact CD1-CD 4.29Å; F563-K583 HydrophobicContact CE1-CB 3.86Å; F563-K583 HydrophobicContact CE1-CD 4.05Å; F563-K583 HydrophobicContact CE1-CG 4.17Å; F563-K583 HydrophobicContact CZ-CB 4.49Å; F563-K583 HydrophobicContact CZ-CD 4.21Å; F563-K583 HydrophobicContact CZ-CG 4.36Å; F563-K583 WeakPolarHBondContact O-CD 3.23Å; F563-K583 WeakPolarHBondContact O-CE 3.42Å; F563-K583 PolarHBondContact O-NZ 3.31Å; F563-I585 HydrophobicContact CE2-CG2 4.13Å; F563-I585 HydrophobicContact CZ-CG2 3.58Å; F563-I594 HydrophobicContact CE1-CB 4.44Å; F563-I594 HydrophobicContact CE1-CG2 4.48Å; F563-L596 HydrophobicContact CB-CD1 4.44Å; F563-L596 HydrophobicContact CD1-CD1 3.62Å; F563-L596 HydrophobicContact CD1-CG 4.47Å; F563-L596 HydrophobicContact CE1-CD1 4.33Å; F563-L596 HydrophobicContact CG-CD1 4.39Å; F563-I715 HydrophobicContact CB-CG2 3.88Å; F563-I715 HydrophobicContact CD2-CG2 4.26Å; F563-I719 HydrophobicContact CD1-CG1 4.36Å; F563-I719 HydrophobicContact CD2-CB 4.31Å; F563-I719 HydrophobicContact CD2-CG1 3.79Å; F563-I719 HydrophobicContact CE1-CG1 4.26Å; F563-I719 HydrophobicContact CE1-CG2 4.25Å; F563-I719 HydrophobicContact CE2-CB 3.76Å; F563-I719 HydrophobicContact CE2-CG1 3.7Å; F563-I719 HydrophobicContact CE2-CG2 3.85Å; F563-I719 HydrophobicContact CG-CG1 4.12Å; F563-I719 HydrophobicContact CZ-CB 3.98Å; F563-I719 HydrophobicContact CZ-CG1 3.94Å; F563-I719 HydrophobicContact CZ-CG2 3.55Å
564	C	93.6	Very high	90	Very high	19 Å²	19	51.9 Å²	51.9	13%	0.128	27%	0.272	C	S	.	.	H	α-helix	trans	-72	-54.4	-175.8	-71	0	0	0	0	112.3	S560 R581	S560-C564 VanDerWaalsContact O-CB 3.32Å; S560-C564 WeakPolarHBondContact O-CB 3.39Å; S560-C564 PolarHBondContact O-N 3.35Å; C564-R581 HydrophobicContact CB-CB 4.23Å; C564-R581 VanDerWaalsContact SG-CB 3.57Å
565	D	91.4	Very high	89.2	Confident	79 Å²	79	53.2 Å²	53.2	42%	0.422	28%	0.281	S	S	.	.	H	α-helix	trans	-102.9	-11.2	-166	-51.6	-35	0	0	0	112.2	Y561 I567 R581	Y561-D565 WeakPolarHBondContact CD1-OD2 3.37Å; Y561-D565 WeakPolarHBondContact O-CA 3.31Å; Y561-D565 WeakPolarHBondContact O-CB 3.1Å; Y561-D565 PolarHBondContact O-N 2.78Å; D565-I567 HydrophobicContact CB-CD1 4.23Å; D565-I567 HydrophobicContact CB-CG1 4.43Å; D565-I567 PolarHBondContact O-N 3.47Å; D565-R581 IonicContact OD2-CZ 3.43Å; D565-R581 IonicContact OD2-NH1 2.71Å; D565-R581 PolarHBondContact OD2-NH1 2.92Å
566	G	90.7	Very high	88	Confident	30 Å²	30	58.9 Å²	58.9	31%	0.309	31%	0.307	S	S	.	.	S	Bend	trans	76.3	3.8	-178.2	0	0	0	0	0	114	Y561 R562	Y561-G566 PolarHBondContact O-N 2.88Å; R562-G566 PolarHBondContact NH1-O 2.91Å; R562-G566 WeakPolarHBondContact O-CA 3.47Å; R562-G566 PolarHBondContact O-N 3.48Å; R562-G566 VanDerWaalsContact O-N 3.15Å
567	I	90.9	Very high	87.1	Confident	74 Å²	74	59.8 Å²	59.8	38%	0.379	32%	0.318	S	S	.	.			trans	-103.5	148.9	-172.2	-58.4	165	0	0	0	110.4	Y561 R562 D565 Y569	Y561-I567 CarbonylContact C-O 3.5Å; R562-I567 VanDerWaalsContact CA-O 3.23Å; R562-I567 WeakPolarHBondContact CA-O 3.36Å; R562-I567 PolarHBondContact N-O 3.22Å; D565-I567 HydrophobicContact CB-CD1 4.23Å; D565-I567 HydrophobicContact CB-CG1 4.43Å; D565-I567 PolarHBondContact O-N 3.47Å; I567-Y569 HydrophobicContact CB-CE2 4.26Å; I567-Y569 HydrophobicContact CG2-CD1 4.34Å; I567-Y569 HydrophobicContact CG2-CD2 4.22Å; I567-Y569 HydrophobicContact CG2-CE1 3.83Å; I567-Y569 HydrophobicContact CG2-CE2 3.67Å; I567-Y569 VanDerWaalsContact CG2-CZ 3.46Å
568	F	90.1	Very high	86.5	Confident	55 Å²	55	60.9 Å²	60.9	24%	0.241	33%	0.325	C	S	.	.			trans	-127.8	129.4	170.7	170.9	-99.9	0	0	0	109.1	P570 V709 L710	F568-P570 HydrophobicContact CD1-CG 4.13Å; F568-P570 HydrophobicContact CE1-CB 4.09Å; F568-P570 HydrophobicContact CE1-CG 3.93Å; F568-V709 HydrophobicContact CD2-CG1 3.82Å; F568-V709 HydrophobicContact CE2-CG1 4.24Å; F568-L710 HydrophobicContact CD1-CD1 3.75Å; F568-L710 HydrophobicContact CE1-CD1 3.4Å; F568-L710 HydrophobicContact CZ-CB 4.43Å; F568-L710 HydrophobicContact CZ-CD1 3.96Å
569	Y	88.9	Confident	86.1	Confident	98 Å²	98	62.3 Å²	62.3	38%	0.384	33%	0.331	S	S	.	.			trans	-104.2	110.5	177.1	-60.7	-77	0	0	0	108.5	Y561 I567 Q571 L572	Y561-Y569 HydrophobicContact CD1-CD2 4.26Å; Y561-Y569 AromaticContact CD1-CE2 3.68Å; Y561-Y569 HydrophobicContact CD1-CE2 3.68Å; Y561-Y569 HydrophobicContact CD2-CD2 4.36Å; Y561-Y569 AromaticContact CE1-CE2 3.93Å; Y561-Y569 HydrophobicContact CE1-CE2 3.93Å; Y561-Y569 HydrophobicContact CG-CD2 4.14Å; Y561-Y569 HydrophobicContact CG-CE2 4.01Å; I567-Y569 HydrophobicContact CB-CE2 4.26Å; I567-Y569 HydrophobicContact CG2-CD1 4.34Å; I567-Y569 HydrophobicContact CG2-CD2 4.22Å; I567-Y569 HydrophobicContact CG2-CE1 3.83Å; I567-Y569 HydrophobicContact CG2-CE2 3.67Å; I567-Y569 VanDerWaalsContact CG2-CZ 3.46Å; Y569-Q571 PolarHBondContact O-N 2.91Å; Y569-L572 HydrophobicContact CD2-CD1 4.38Å
570	P	80.4	Confident	85.8	Confident	111 Å²	111	66.5 Å²	66.5	72%	0.721	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.2	-178.2	-24.7	33.9	0	0	0	113.9	F568	F568-P570 HydrophobicContact CD1-CG 4.13Å; F568-P570 HydrophobicContact CE1-CB 4.09Å; F568-P570 HydrophobicContact CE1-CG 3.93Å
571	Q	81.7	Confident	85.7	Confident	186 Å²	186	68.8 Å²	68.8	87%	0.869	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	54.7	-177.9	-62.2	-174.5	5.3	0	0	111.3	Y569 R573	Y569-Q571 PolarHBondContact O-N 2.91Å; Q571-R573 PolarHBondContact O-N 3.43Å
572	L	81.5	Confident	85.6	Confident	59 Å²	59	69.6 Å²	69.6	31%	0.309	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-71	126.7	176.8	-167.8	66.1	0	0	0	110.6	S557 Y561 Y569	S557-L572 VanDerWaalsContact CB-CD2 3.48Å; Y561-L572 HydrophobicContact CD2-CD1 4.42Å; Y561-L572 HydrophobicContact CD2-CD2 3.93Å; Y561-L572 HydrophobicContact CE2-CD1 3.89Å; Y561-L572 HydrophobicContact CE2-CD2 3.93Å; Y569-L572 HydrophobicContact CD2-CD1 4.38Å
573	R	79.4	Confident	85.6	Confident	160 Å²	160	71.4 Å²	71.4	60%	0.604	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-66.5	157.8	174.8	-67.8	-175.2	176.8	128	4.1	111	Q571 T575	Q571-R573 PolarHBondContact O-N 3.43Å; R573-T575 PolarHBondContact O-N 3.42Å
574	A	80.3	Confident	85.5	Confident	69 Å²	69	75.2 Å²	75.2	57%	0.57	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-61.5	128.8	176.4	0	0	0	0	0	110.8	L576	A574-L576 PolarHBondContact O-N 3.34Å
575	T	74.4	Confident	85.4	Confident	28 Å²	28	75.1 Å²	75.1	17%	0.172	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-61.1	126	177.5	-53	0	0	0	0	110.6	S557 R573 D579 D598 A600	S557-T575 PolarHBondContact OG-OG1 3.18Å; R573-T575 PolarHBondContact O-N 3.42Å; T575-D579 HydrophobicContact CG2-CB 4.43Å; T575-D598 PolarHBondContact OG1-OD2 3.34Å; T575-A600 WeakPolarHBondContact O-CB 3.38Å
576	L	70.2	Confident	85.4	Confident	131 Å²	131	78.4 Å²	78.4	69%	0.686	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-94.6	119.5	172	-63.4	176	0	0	0	108.6	A574	A574-L576 PolarHBondContact O-N 3.34Å
577	G	73.7	Confident	85.2	Confident	27 Å²	27	78.4 Å²	78.4	28%	0.278	40%	0.398	S	S	.	.	S	Bend	trans	75.6	-132.8	-178.7	0	0	0	0	0	113.7	A600	G577-A600 WeakPolarHBondContact O-CB 3.33Å; G577-A600 PolarHBondContact O-N 3.39Å
578	V	80.1	Confident	84.7	Confident	39 Å²	39	81.1 Å²	81.1	24%	0.236	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	122.9	-177.7	177.8	0	0	0	0	109.4	W597 D598 T599 Y612	V578-W597 HydrophobicContact CG1-CE3 3.88Å; V578-D598 CarbonylContact C-O 3.54Å; V578-D598 VanDerWaalsContact CA-O 3.25Å; V578-D598 WeakPolarHBondContact CA-O 3.41Å; V578-D598 WeakPolarHBondContact CG1-O 3.36Å; V578-T599 HydrophobicContact CG1-CG2 4.47Å; V578-T599 HydrophobicContact CG2-CG2 4.18Å; V578-Y612 HydrophobicContact CB-CE1 4.12Å; V578-Y612 HydrophobicContact CB-CE2 3.98Å; V578-Y612 HydrophobicContact CG1-CD1 4.2Å; V578-Y612 HydrophobicContact CG1-CE1 3.98Å; V578-Y612 HydrophobicContact CG1-CE2 4.42Å; V578-Y612 HydrophobicContact CG2-CD2 3.72Å; V578-Y612 HydrophobicContact CG2-CE1 4.25Å; V578-Y612 HydrophobicContact CG2-CE2 3.25Å; V578-Y612 HydrophobicContact CG2-CG 4.38Å
579	D	86.5	Confident	84.3	Confident	49 Å²	49	86.2 Å²	86.2	26%	0.262	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	152.4	174.8	-168.5	17.7	0	0	0	110.1	T575 R581 D598	T575-D579 HydrophobicContact CG2-CB 4.43Å; D579-R581 IonicContact OD1-NH2 3.23Å; D579-R581 IonicContact OD2-CZ 2.79Å; D579-R581 IonicContact OD2-NE 2.76Å; D579-R581 PolarHBondContact OD2-NE 3.37Å; D579-R581 IonicContact OD2-NH2 3.42Å; D579-R581 PolarHBondContact OD2-NH2 2.83Å; D579-D598 HydrophobicContact CB-CB 4.33Å; D579-D598 PolarHBondContact N-O 3.37Å; D579-D598 PolarHBondContact O-N 3.37Å
580	F	87.7	Confident	84.2	Confident	87 Å²	87	83.1 Å²	83.1	38%	0.382	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	122.2	-174.1	172.7	-97.1	0	0	0	110.8	T582 Q595 L596 W597	F580-T582 WeakPolarHBondContact CE1-OG1 3.26Å; F580-T582 WeakPolarHBondContact CZ-OG1 3.4Å; F580-Q595 HydrophobicContact CE2-CB 3.74Å; F580-Q595 HydrophobicContact CE2-CG 3.93Å; F580-Q595 HydrophobicContact CZ-CB 4.19Å; F580-Q595 HydrophobicContact CZ-CG 3.89Å; F580-L596 WeakPolarHBondContact CA-O 3.36Å; F580-W597 AromaticContact CD2-CD2 3.81Å; F580-W597 HydrophobicContact CD2-CD2 3.81Å; F580-W597 AromaticContact CD2-CE2 3.42Å; F580-W597 VanDerWaalsContact CD2-CE2 3.42Å; F580-W597 HydrophobicContact CD2-CE3 4.31Å; F580-W597 HydrophobicContact CD2-CG 4.25Å; F580-W597 HydrophobicContact CD2-CH2 4.18Å; F580-W597 AromaticContact CD2-CZ2 3.65Å; F580-W597 HydrophobicContact CD2-CZ2 3.65Å; F580-W597 HydrophobicContact CD2-CZ3 4.46Å; F580-W597 AromaticContact CD2-NE1 3.58Å; F580-W597 HydrophobicContact CE2-CD2 4.43Å; F580-W597 AromaticContact CE2-CE2 3.61Å; F580-W597 AromaticContact CE2-CZ2 3.71Å; F580-W597 HydrophobicContact CE2-CZ2 3.71Å; F580-W597 AromaticContact CE2-NE1 3.48Å
581	R	92.9	Very high	84.7	Confident	50 Å²	50	78.7 Å²	78.7	19%	0.189	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.7	176	-61	-175.5	-171.1	-85.6	-28.2	111	Y561 C564 D565 D579 Q595 L596	Y561-R581 PolarHBondContact OH-NH2 3.07Å; Y561-R581 VanDerWaalsContact OH-NH2 3.08Å; C564-R581 HydrophobicContact CB-CB 4.23Å; C564-R581 VanDerWaalsContact SG-CB 3.57Å; D565-R581 IonicContact OD2-CZ 3.43Å; D565-R581 IonicContact OD2-NH1 2.71Å; D565-R581 PolarHBondContact OD2-NH1 2.92Å; D579-R581 IonicContact OD1-NH2 3.23Å; D579-R581 IonicContact OD2-CZ 2.79Å; D579-R581 IonicContact OD2-NE 2.76Å; D579-R581 PolarHBondContact OD2-NE 3.37Å; D579-R581 IonicContact OD2-NH2 3.42Å; D579-R581 PolarHBondContact OD2-NH2 2.83Å; R581-Q595 CarbonylContact O-C 3.55Å; R581-Q595 WeakPolarHBondContact O-CA 3.38Å; R581-L596 PolarHBondContact N-O 3.31Å; R581-L596 PolarHBondContact O-N 3.06Å
582	T	93.6	Very high	85.2	Confident	64 Å²	64	70.1 Å²	70.1	39%	0.393	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.3	-178.9	-61	0	0	0	0	110.3	F580 T593 I594 Q595	F580-T582 WeakPolarHBondContact CE1-OG1 3.26Å; F580-T582 WeakPolarHBondContact CZ-OG1 3.4Å; T582-T593 HydrophobicContact CG2-CG2 3.24Å; T582-I594 CarbonylContact C-O 3.58Å; T582-I594 VanDerWaalsContact CA-O 3.29Å; T582-I594 WeakPolarHBondContact CA-O 3.41Å; T582-Q595 HydrophobicContact CG2-CG 4.2Å
583	K	94.2	Very high	85.8	Confident	75 Å²	75	67.9 Å²	67.9	33%	0.326	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	138.9	173.8	176.2	161.4	177.5	167.5	0	111.2	F563 I594	F563-K583 HydrophobicContact CD1-CB 4.42Å; F563-K583 HydrophobicContact CD1-CD 4.29Å; F563-K583 HydrophobicContact CE1-CB 3.86Å; F563-K583 HydrophobicContact CE1-CD 4.05Å; F563-K583 HydrophobicContact CE1-CG 4.17Å; F563-K583 HydrophobicContact CZ-CB 4.49Å; F563-K583 HydrophobicContact CZ-CD 4.21Å; F563-K583 HydrophobicContact CZ-CG 4.36Å; F563-K583 WeakPolarHBondContact O-CD 3.23Å; F563-K583 WeakPolarHBondContact O-CE 3.42Å; F563-K583 PolarHBondContact O-NZ 3.31Å; K583-I594 PolarHBondContact N-O 3.13Å; K583-I594 PolarHBondContact O-N 3.15Å
584	N	93	Very high	86.6	Confident	89 Å²	89	60.2 Å²	60.2	48%	0.476	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134	172.4	-65.8	-20.1	0	0	0	110	V591 Y592 T593	N584-V591 HydrophobicContact CB-CG1 4.08Å; N584-Y592 CarbonylContact C-O 3.56Å; N584-Y592 WeakPolarHBondContact CA-O 3.38Å; N584-T593 WeakPolarHBondContact OD1-CA 3.43Å; N584-T593 WeakPolarHBondContact OD1-CB 3.41Å; N584-T593 WeakPolarHBondContact OD1-CG2 3.39Å; N584-T593 PolarHBondContact OD1-OG1 3.33Å
585	I	92.8	Very high	87.3	Confident	18 Å²	18	59 Å²	59	9%	0.092	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	144.9	172.4	64.4	176.9	0	0	0	109.9	F563 M587 V591 Y592 I594 I719 T723	F563-I585 HydrophobicContact CE2-CG2 4.13Å; F563-I585 HydrophobicContact CZ-CG2 3.58Å; I585-M587 HydrophobicContact CD1-CG 4.12Å; I585-M587 HydrophobicContact CD1-SD 3.87Å; I585-M587 HydrophobicContact CG1-CG 4.39Å; I585-V591 WeakPolarHBondContact O-CA 3.32Å; I585-Y592 PolarHBondContact N-O 3.34Å; I585-Y592 PolarHBondContact O-N 2.97Å; I585-I594 HydrophobicContact CD1-CD1 4.02Å; I585-I594 HydrophobicContact CD1-CG1 3.7Å; I585-I594 HydrophobicContact CG1-CD1 4.43Å; I585-I594 HydrophobicContact CG1-CG1 3.96Å; I585-I719 HydrophobicContact CD1-CG2 3.98Å; I585-T723 HydrophobicContact CD1-CG2 4.13Å
586	K	89.8	Confident	88.3	Confident	148 Å²	148	57.7 Å²	57.7	64%	0.643	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	115.3	173.9	-174.8	179.6	178.9	-179	0	107.8
587	M	87.4	Confident	89.3	Confident	30 Å²	30	54.1 Å²	54.1	15%	0.148	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.7	174.3	-69.7	-172.2	73.1	0	0	109.2	I585 N589 S590 Y592 E720 T723	I585-M587 HydrophobicContact CD1-CG 4.12Å; I585-M587 HydrophobicContact CD1-SD 3.87Å; I585-M587 HydrophobicContact CG1-CG 4.39Å; M587-N589 PolarHBondContact O-N 3.07Å; M587-S590 PolarHBondContact N-O 3.3Å; M587-S590 PolarHBondContact O-N 2.95Å; M587-S590 VanDerWaalsContact O-N 3.07Å; M587-Y592 HydrophobicContact CB-CD2 4.07Å; M587-Y592 HydrophobicContact CB-CE2 3.98Å; M587-E720 HydrophobicContact CE-CB 3.6Å; M587-E720 HydrophobicContact CE-CG 3.95Å; M587-E720 WeakPolarHBondContact CE-O 3.32Å; M587-E720 HydrophobicContact CG-CG 4.17Å; M587-E720 HydrophobicContact SD-CB 3.93Å; M587-E720 HydrophobicContact SD-CG 3.84Å; M587-T723 HydrophobicContact SD-CG2 3.69Å
588	N	81	Confident	90.1	Very high	130 Å²	130	52.9 Å²	52.9	70%	0.695	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	-121.4	-172	-53.4	-19.4	0	0	0	110.4
589	N	81.6	Confident	90.1	Very high	162 Å²	162	51.1 Å²	51.1	87%	0.866	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	21.3	177.9	-86.9	68.5	0	0	0	113.2	M587	M587-N589 PolarHBondContact O-N 3.07Å
590	S	86.3	Confident	89.6	Confident	34 Å²	34	48.9 Å²	48.9	24%	0.238	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.5	-177.4	-59.8	0	0	0	0	111.6	M587	M587-S590 PolarHBondContact N-O 3.3Å; M587-S590 PolarHBondContact O-N 2.95Å; M587-S590 VanDerWaalsContact O-N 3.07Å
591	V	89.9	Confident	88.3	Confident	18 Å²	18	45.3 Å²	45.3	11%	0.109	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	128.1	172.7	179.5	0	0	0	0	108.1	L538 P540 T541 N584 I585	L538-V591 HydrophobicContact CB-CG2 3.75Å; L538-V591 HydrophobicContact CD1-CG2 4.06Å; P540-V591 CarbonylContact C-O 3.54Å; P540-V591 HydrophobicContact CB-CG1 4.33Å; T541-V591 PolarHBondContact N-O 3.06Å; T541-V591 PolarHBondContact OG1-O 3.43Å; N584-V591 HydrophobicContact CB-CG1 4.08Å; I585-V591 WeakPolarHBondContact O-CA 3.32Å
592	Y	92.8	Very high	86.8	Confident	5 Å²	5	46.2 Å²	46.2	2%	0.02	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.5	178.5	-61	-83	0	0	0	109.5	R542 F544 N584 I585 M587 T723 K727	R542-Y592 HydrophobicContact CB-CD1 3.97Å; R542-Y592 HydrophobicContact CB-CE1 4.25Å; F544-Y592 HydrophobicContact CD2-CD1 4.06Å; F544-Y592 AromaticContact CE2-CD1 3.36Å; F544-Y592 HydrophobicContact CE2-CD1 3.36Å; F544-Y592 AromaticContact CE2-CE1 3.81Å; F544-Y592 HydrophobicContact CE2-CE1 3.81Å; F544-Y592 HydrophobicContact CE2-CG 4.15Å; F544-Y592 HydrophobicContact CZ-CD1 4.14Å; F544-Y592 HydrophobicContact CZ-CE1 4.25Å; N584-Y592 CarbonylContact C-O 3.56Å; N584-Y592 WeakPolarHBondContact CA-O 3.38Å; I585-Y592 PolarHBondContact N-O 3.34Å; I585-Y592 PolarHBondContact O-N 2.97Å; M587-Y592 HydrophobicContact CB-CD2 4.07Å; M587-Y592 HydrophobicContact CB-CE2 3.98Å; Y592-T723 HydrophobicContact CD1-CG2 4.44Å; Y592-T723 HydrophobicContact CD2-CG2 4.13Å; Y592-T723 HydrophobicContact CG-CG2 4.03Å; Y592-K727 WeakPolarHBondContact OH-CD 3.27Å; Y592-K727 WeakPolarHBondContact OH-CE 3.42Å; Y592-K727 PolarHBondContact OH-NZ 3.49Å
593	T	94.3	Very high	84.8	Confident	12 Å²	12	48.4 Å²	48.4	7%	0.074	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	111.8	172.6	-61.7	0	0	0	0	109.1	P540 R542 I543 F544 T582 N584	P540-T593 WeakPolarHBondContact CB-OG1 3.38Å; P540-T593 WeakPolarHBondContact CG-OG1 3.4Å; R542-T593 PolarHBondContact O-N 3.47Å; I543-T593 CarbonylContact C-O 3.53Å; I543-T593 WeakPolarHBondContact CA-O 3.39Å; I543-T593 HydrophobicContact CG2-CG2 4.23Å; F544-T593 PolarHBondContact N-O 3.44Å; T582-T593 HydrophobicContact CG2-CG2 3.24Å; N584-T593 WeakPolarHBondContact OD1-CA 3.43Å; N584-T593 WeakPolarHBondContact OD1-CB 3.41Å; N584-T593 WeakPolarHBondContact OD1-CG2 3.39Å; N584-T593 PolarHBondContact OD1-OG1 3.33Å
594	I	96.1	Very high	82.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.8	177.4	-52.7	-55	0	0	0	109.1	F544 V546 F563 T582 K583 I585 L596 I719 T723 M726	F544-I594 HydrophobicContact CB-CD1 4.06Å; F544-I594 HydrophobicContact CD2-CD1 3.98Å; V546-I594 HydrophobicContact CG2-CG2 4.22Å; F563-I594 HydrophobicContact CE1-CB 4.44Å; F563-I594 HydrophobicContact CE1-CG2 4.48Å; T582-I594 CarbonylContact C-O 3.58Å; T582-I594 VanDerWaalsContact CA-O 3.29Å; T582-I594 WeakPolarHBondContact CA-O 3.41Å; K583-I594 PolarHBondContact N-O 3.13Å; K583-I594 PolarHBondContact O-N 3.15Å; I585-I594 HydrophobicContact CD1-CD1 4.02Å; I585-I594 HydrophobicContact CD1-CG1 3.7Å; I585-I594 HydrophobicContact CG1-CD1 4.43Å; I585-I594 HydrophobicContact CG1-CG1 3.96Å; I594-L596 HydrophobicContact CG2-CD2 3.82Å; I594-L596 HydrophobicContact CG2-CG 4.3Å; I594-I719 HydrophobicContact CG1-CG2 4.05Å; I594-I719 HydrophobicContact CG2-CG2 4.31Å; I594-T723 HydrophobicContact CD1-CG2 4.22Å; I594-T723 WeakPolarHBondContact CD1-OG1 3.46Å; I594-M726 HydrophobicContact CD1-CE 4.21Å
595	Q	95.1	Very high	80.9	Confident	44 Å²	44	48 Å²	48	21%	0.206	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	111	173.4	-66.4	-175.3	0.1	0	0	109.4	I543 F544 V546 F580 R581 T582	I543-Q595 HydrophobicContact CG2-CG 3.99Å; I543-Q595 VanDerWaalsContact CG2-NE2 3.34Å; F544-Q595 PolarHBondContact O-N 3.49Å; V546-Q595 PolarHBondContact N-O 3.05Å; V546-Q595 VanDerWaalsContact O-O 3.08Å; F580-Q595 HydrophobicContact CE2-CB 3.74Å; F580-Q595 HydrophobicContact CE2-CG 3.93Å; F580-Q595 HydrophobicContact CZ-CB 4.19Å; F580-Q595 HydrophobicContact CZ-CG 3.89Å; R581-Q595 CarbonylContact O-C 3.55Å; R581-Q595 WeakPolarHBondContact O-CA 3.38Å; T582-Q595 HydrophobicContact CG2-CG 4.2Å
596	L	94.7	Very high	79.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	118.4	175.7	-61.4	-175.4	0	0	0	109.8	V546 L548 F563 F580 R581 I594 I719	V546-L596 HydrophobicContact CB-CD2 4Å; V546-L596 HydrophobicContact CG1-CD2 4.06Å; L548-L596 HydrophobicContact CD2-CD2 4.35Å; F563-L596 HydrophobicContact CB-CD1 4.44Å; F563-L596 HydrophobicContact CD1-CD1 3.62Å; F563-L596 HydrophobicContact CD1-CG 4.47Å; F563-L596 HydrophobicContact CE1-CD1 4.33Å; F563-L596 HydrophobicContact CG-CD1 4.39Å; F580-L596 WeakPolarHBondContact CA-O 3.36Å; R581-L596 PolarHBondContact N-O 3.31Å; R581-L596 PolarHBondContact O-N 3.06Å; I594-L596 HydrophobicContact CG2-CD2 3.82Å; I594-L596 HydrophobicContact CG2-CG 4.3Å; L596-I719 HydrophobicContact CD2-CD1 4.17Å
597	W	91.8	Very high	78.2	Confident	56 Å²	56	47.3 Å²	47.3	21%	0.212	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	96.2	171.6	-67.4	74.4	0	0	0	108	V546 I547 L548 V578 F580 Y612	V546-W597 PolarHBondContact O-N 2.97Å; I547-W597 HydrophobicContact CB-CB 4.47Å; I547-W597 HydrophobicContact CG1-CB 4.31Å; L548-W597 PolarHBondContact N-O 2.94Å; V578-W597 HydrophobicContact CG1-CE3 3.88Å; F580-W597 AromaticContact CD2-CD2 3.81Å; F580-W597 HydrophobicContact CD2-CD2 3.81Å; F580-W597 AromaticContact CD2-CE2 3.42Å; F580-W597 VanDerWaalsContact CD2-CE2 3.42Å; F580-W597 HydrophobicContact CD2-CE3 4.31Å; F580-W597 HydrophobicContact CD2-CG 4.25Å; F580-W597 HydrophobicContact CD2-CH2 4.18Å; F580-W597 AromaticContact CD2-CZ2 3.65Å; F580-W597 HydrophobicContact CD2-CZ2 3.65Å; F580-W597 HydrophobicContact CD2-CZ3 4.46Å; F580-W597 AromaticContact CD2-NE1 3.58Å; F580-W597 HydrophobicContact CE2-CD2 4.43Å; F580-W597 AromaticContact CE2-CE2 3.61Å; F580-W597 AromaticContact CE2-CZ2 3.71Å; F580-W597 HydrophobicContact CE2-CZ2 3.71Å; F580-W597 AromaticContact CE2-NE1 3.48Å; W597-Y612 AromaticContact CE3-CD1 3.66Å; W597-Y612 HydrophobicContact CE3-CD1 3.66Å; W597-Y612 AromaticContact CE3-CE1 3.96Å; W597-Y612 HydrophobicContact CE3-CE1 3.96Å; W597-Y612 AromaticContact CZ3-CD1 3.74Å; W597-Y612 HydrophobicContact CZ3-CD1 3.74Å; W597-Y612 AromaticContact CZ3-CE1 3.72Å; W597-Y612 HydrophobicContact CZ3-CE1 3.72Å
598	D	90.3	Very high	77.1	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.1	178.4	-178.8	40.6	0	0	0	110.1	L548 K556 S557 T575 V578 D579	L548-D598 HydrophobicContact CD1-CB 4.14Å; K556-D598 VanDerWaalsContact CB-OD1 3.27Å; K556-D598 WeakPolarHBondContact CB-OD1 3.43Å; S557-D598 WeakPolarHBondContact CA-OD2 3.39Å; S557-D598 WeakPolarHBondContact CB-OD2 3.44Å; S557-D598 PolarHBondContact N-OD1 2.86Å; S557-D598 PolarHBondContact OG-OD1 2.97Å; S557-D598 PolarHBondContact OG-OD2 3.24Å; T575-D598 PolarHBondContact OG1-OD2 3.34Å; V578-D598 CarbonylContact C-O 3.54Å; V578-D598 VanDerWaalsContact CA-O 3.25Å; V578-D598 WeakPolarHBondContact CA-O 3.41Å; V578-D598 WeakPolarHBondContact CG1-O 3.36Å; D579-D598 HydrophobicContact CB-CB 4.33Å; D579-D598 PolarHBondContact N-O 3.37Å; D579-D598 PolarHBondContact O-N 3.37Å
599	T	81.6	Confident	76.6	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	144.3	-174.9	65.3	0	0	0	0	111.7	I547 L548 K556 V578 G601 V609	I547-T599 HydrophobicContact CD1-CG2 3.89Å; I547-T599 HydrophobicContact CG1-CG2 3.78Å; L548-T599 PolarHBondContact O-OG1 2.96Å; K556-T599 WeakPolarHBondContact CE-O 3.4Å; V578-T599 HydrophobicContact CG1-CG2 4.47Å; V578-T599 HydrophobicContact CG2-CG2 4.18Å; T599-G601 PolarHBondContact O-N 3.38Å; T599-V609 HydrophobicContact CG2-CG1 4.29Å
600	A	74.2	Confident	76.2	Confident	3 Å²	3	41.9 Å²	41.9	3%	0.025	21%	0.209	C	C	.	.			trans	-55.7	125	170	0	0	0	0	0	110.5	T575 G577 Q602 Y605	T575-A600 WeakPolarHBondContact O-CB 3.38Å; G577-A600 WeakPolarHBondContact O-CB 3.33Å; G577-A600 PolarHBondContact O-N 3.39Å; A600-Q602 VanDerWaalsContact C-N 3.29Å; A600-Q602 PolarHBondContact O-N 2.89Å; A600-Y605 HydrophobicContact CB-CD2 3.59Å; A600-Y605 HydrophobicContact CB-CE2 4.38Å; A600-Y605 HydrophobicContact CB-CG 4.02Å
601	G	60.7	Low	75.6	Confident	11 Å²	11	43 Å²	43	11%	0.113	22%	0.216	C	C	.	.			trans	-79.1	-5.9	-179.2	0	0	0	0	0	115.1	S552 T599	S552-G601 PolarHBondContact N-O 3.44Å; S552-G601 VanDerWaalsContact N-O 3.15Å; T599-G601 PolarHBondContact O-N 3.38Å
602	Q	62.5	Low	75.1	Confident	70 Å²	70	45.3 Å²	45.3	33%	0.327	22%	0.224	S	C	.	.	S	Bend	trans	-75	139.3	-179.6	-60.2	-70.4	55.9	0	0	110.7	S552 A600 T604 Y605	S552-Q602 VanDerWaalsContact CB-OE1 3.27Å; S552-Q602 PolarHBondContact OG-OE1 3.47Å; S552-Q602 VanDerWaalsContact OG-OE1 3.09Å; A600-Q602 VanDerWaalsContact C-N 3.29Å; A600-Q602 PolarHBondContact O-N 2.89Å; Q602-T604 PolarHBondContact O-N 3.46Å; Q602-T604 VanDerWaalsContact O-N 3.17Å; Q602-Y605 HydrophobicContact CB-CD2 3.91Å; Q602-Y605 HydrophobicContact CB-CE2 4.2Å; Q602-Y605 PolarHBondContact O-N 3.07Å
603	E	50.8	Low	74.4	Confident	109 Å²	109	45.5 Å²	45.5	51%	0.509	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-52.1	-36	179.4	63.6	-64.8	147.8	0	0	113.1	Y605 R606	E603-Y605 PolarHBondContact O-N 3.44Å; E603-R606 WeakPolarHBondContact O-CB 3.47Å; E603-R606 WeakPolarHBondContact O-CG 3.44Å; E603-R606 PolarHBondContact O-N 3.39Å
604	T	53.7	Low	73.6	Confident	79 Å²	79	54.3 Å²	54.3	49%	0.485	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-62.1	-23.4	179.4	50.2	0	0	0	0	113.7	Q602	Q602-T604 PolarHBondContact O-N 3.46Å; Q602-T604 VanDerWaalsContact O-N 3.17Å
605	Y	52.5	Low	72.8	Confident	77 Å²	77	63.7 Å²	63.7	30%	0.302	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-99.4	0.8	-179.7	-57.3	-65.7	0	0	0	114.1	A600 Q602 E603 C607 I608 V609	A600-Y605 HydrophobicContact CB-CD2 3.59Å; A600-Y605 HydrophobicContact CB-CE2 4.38Å; A600-Y605 HydrophobicContact CB-CG 4.02Å; Q602-Y605 HydrophobicContact CB-CD2 3.91Å; Q602-Y605 HydrophobicContact CB-CE2 4.2Å; Q602-Y605 PolarHBondContact O-N 3.07Å; E603-Y605 PolarHBondContact O-N 3.44Å; Y605-C607 PolarHBondContact O-N 3.22Å; Y605-C607 VanDerWaalsContact O-N 3.16Å; Y605-I608 HydrophobicContact CD1-CD1 3.88Å; Y605-I608 WeakPolarHBondContact O-CB 3.46Å; Y605-I608 PolarHBondContact O-N 2.92Å; Y605-V609 PolarHBondContact O-N 3.43Å
606	R	63	Low	72.6	Confident	54 Å²	54	62.1 Å²	62.1	20%	0.204	29%	0.29	C	S	.	.	H	α-helix	trans	-56.9	-33.4	-177	-77.3	177.8	160.5	150.2	-0.6	113.7	D551 E603 I608 V609 W637	D551-R606 IonicContact OD1-NH2 3.22Å; D551-R606 PolarHBondContact OD1-NH2 2.86Å; E603-R606 WeakPolarHBondContact O-CB 3.47Å; E603-R606 WeakPolarHBondContact O-CG 3.44Å; E603-R606 PolarHBondContact O-N 3.39Å; R606-I608 VanDerWaalsContact C-N 3.27Å; R606-I608 PolarHBondContact O-N 2.89Å; R606-V609 WeakPolarHBondContact O-CB 3.45Å; R606-V609 PolarHBondContact O-N 3.39Å; R606-W637 HydrophobicContact CG-CH2 4.04Å
607	C	62.8	Low	72.5	Confident	97 Å²	97	65.1 Å²	65.1	66%	0.655	31%	0.306	S	S	*	.	H	α-helix	trans	-63	-33.5	176.3	-65.6	0	0	0	0	112.6	Y605	Y605-C607 PolarHBondContact O-N 3.22Å; Y605-C607 VanDerWaalsContact O-N 3.16Å
608	I	63.2	Low	72.6	Confident	74 Å²	74	62.4 Å²	62.4	38%	0.379	30%	0.296	S	S	.	.	H	α-helix	trans	-74.5	-35	-179	-42.7	-177.8	0	0	0	110.2	Y605 R606 R610 S611 Y612	Y605-I608 HydrophobicContact CD1-CD1 3.88Å; Y605-I608 WeakPolarHBondContact O-CB 3.46Å; Y605-I608 PolarHBondContact O-N 2.92Å; R606-I608 VanDerWaalsContact C-N 3.27Å; R606-I608 PolarHBondContact O-N 2.89Å; I608-R610 PolarHBondContact O-N 2.9Å; I608-S611 WeakPolarHBondContact O-CB 3.33Å; I608-S611 PolarHBondContact O-N 3.27Å; I608-S611 PolarHBondContact O-OG 3.47Å; I608-Y612 HydrophobicContact CG2-CD2 4.32Å; I608-Y612 HydrophobicContact CG2-CE2 3.58Å; I608-Y612 VanDerWaalsContact O-CD2 3.3Å; I608-Y612 WeakPolarHBondContact O-CD2 3.3Å
609	V	70	Confident	72.8	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.018	30%	0.296	C	S	.	.	H	α-helix	trans	-52.5	-42.1	179.1	-170.7	0	0	0	0	111.1	I547 V549 T599 Y605 R606 S611 Y612 F613	I547-V609 HydrophobicContact CD1-CG1 4.11Å; V549-V609 HydrophobicContact CG1-CG1 4.08Å; T599-V609 HydrophobicContact CG2-CG1 4.29Å; Y605-V609 PolarHBondContact O-N 3.43Å; R606-V609 WeakPolarHBondContact O-CB 3.45Å; R606-V609 PolarHBondContact O-N 3.39Å; V609-S611 PolarHBondContact O-N 3Å; V609-S611 VanDerWaalsContact O-N 3.12Å; V609-Y612 PolarHBondContact O-N 2.95Å; V609-F613 HydrophobicContact CB-CE2 4.41Å; V609-F613 HydrophobicContact CG1-CD2 4.2Å; V609-F613 HydrophobicContact CG1-CE2 3.49Å; V609-F613 VanDerWaalsContact CG1-CE2 3.49Å; V609-F613 HydrophobicContact CG1-CZ 4.23Å; V609-F613 WeakPolarHBondContact O-CD2 3.47Å; V609-F613 PolarHBondContact O-N 3.41Å
610	R	74.1	Confident	73.5	Confident	132 Å²	132	62.3 Å²	62.3	50%	0.498	30%	0.296	S	S	.	.	H	α-helix	trans	-52	-35.1	176.7	-79.2	-175.2	163.4	146	-5.9	113.6	I608 Y612 M640 E643	I608-R610 PolarHBondContact O-N 2.9Å; R610-Y612 VanDerWaalsContact C-N 3.33Å; R610-Y612 PolarHBondContact O-N 2.88Å; R610-M640 HydrophobicContact CG-CE 4.33Å; R610-E643 IonicContact CZ-OE2 2.64Å; R610-E643 IonicContact NH2-OE2 3.61Å; R610-E643 PolarHBondContact NH2-OE2 3.47Å
611	S	73.4	Confident	74.5	Confident	57 Å²	57	62.2 Å²	62.2	40%	0.399	30%	0.295	S	S	.	.	H	α-helix	trans	-71.3	-27.4	179.6	74.3	0	0	0	0	113.4	I608 V609	I608-S611 WeakPolarHBondContact O-CB 3.33Å; I608-S611 PolarHBondContact O-N 3.27Å; I608-S611 PolarHBondContact O-OG 3.47Å; V609-S611 PolarHBondContact O-N 3Å; V609-S611 VanDerWaalsContact O-N 3.12Å
612	Y	78.8	Confident	76.2	Confident	66 Å²	66	61.8 Å²	61.8	26%	0.259	29%	0.29	S	S	.	.	H	α-helix	trans	-83.5	-18.1	-177.7	-68.6	-80.8	0	0	0	113.8	K545 V578 W597 I608 V609 R610 R614 I616	K545-Y612 PolarHBondContact NZ-O 3.44Å; V578-Y612 HydrophobicContact CB-CE1 4.12Å; V578-Y612 HydrophobicContact CB-CE2 3.98Å; V578-Y612 HydrophobicContact CG1-CD1 4.2Å; V578-Y612 HydrophobicContact CG1-CE1 3.98Å; V578-Y612 HydrophobicContact CG1-CE2 4.42Å; V578-Y612 HydrophobicContact CG2-CD2 3.72Å; V578-Y612 HydrophobicContact CG2-CE1 4.25Å; V578-Y612 HydrophobicContact CG2-CE2 3.25Å; V578-Y612 HydrophobicContact CG2-CG 4.38Å; W597-Y612 AromaticContact CE3-CD1 3.66Å; W597-Y612 HydrophobicContact CE3-CD1 3.66Å; W597-Y612 AromaticContact CE3-CE1 3.96Å; W597-Y612 HydrophobicContact CE3-CE1 3.96Å; W597-Y612 AromaticContact CZ3-CD1 3.74Å; W597-Y612 HydrophobicContact CZ3-CD1 3.74Å; W597-Y612 AromaticContact CZ3-CE1 3.72Å; W597-Y612 HydrophobicContact CZ3-CE1 3.72Å; I608-Y612 HydrophobicContact CG2-CD2 4.32Å; I608-Y612 HydrophobicContact CG2-CE2 3.58Å; I608-Y612 VanDerWaalsContact O-CD2 3.3Å; I608-Y612 WeakPolarHBondContact O-CD2 3.3Å; V609-Y612 PolarHBondContact O-N 2.95Å; R610-Y612 VanDerWaalsContact C-N 3.33Å; R610-Y612 PolarHBondContact O-N 2.88Å; Y612-R614 PolarHBondContact O-N 3.01Å; Y612-R614 VanDerWaalsContact O-N 3.14Å; Y612-I616 WeakPolarHBondContact O-CG2 3.4Å
613	F	78.7	Confident	77.8	Confident	10 Å²	10	58.5 Å²	58.5	4%	0.044	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.1	173.5	-78.7	-84.7	0	0	0	113.9	I547 V549 V609 K615 I616 V619 I641 S644 T645	I547-F613 HydrophobicContact CD1-CD2 4.47Å; I547-F613 HydrophobicContact CD1-CE2 4.46Å; I547-F613 HydrophobicContact CG2-CE1 4.22Å; V549-F613 HydrophobicContact CG1-CZ 4.14Å; V609-F613 HydrophobicContact CB-CE2 4.41Å; V609-F613 HydrophobicContact CG1-CD2 4.2Å; V609-F613 HydrophobicContact CG1-CE2 3.49Å; V609-F613 VanDerWaalsContact CG1-CE2 3.49Å; V609-F613 HydrophobicContact CG1-CZ 4.23Å; V609-F613 WeakPolarHBondContact O-CD2 3.47Å; V609-F613 PolarHBondContact O-N 3.41Å; F613-K615 PolarHBondContact O-N 3.09Å; F613-I616 HydrophobicContact CD1-CD1 3.54Å; F613-I616 HydrophobicContact CD1-CG1 4.5Å; F613-I616 HydrophobicContact CE1-CD1 4.12Å; F613-I616 WeakPolarHBondContact O-CG1 3.16Å; F613-V619 HydrophobicContact CE1-CG2 4.35Å; F613-I641 HydrophobicContact CE1-CB 4.38Å; F613-I641 HydrophobicContact CE1-CG1 3.99Å; F613-I641 HydrophobicContact CE1-CG2 4.31Å; F613-I641 HydrophobicContact CZ-CG1 4.01Å; F613-S644 WeakPolarHBondContact CD1-OG 3.33Å; F613-S644 WeakPolarHBondContact CE1-OG 3.42Å; F613-S644 WeakPolarHBondContact CG-OG 3.42Å; F613-T645 HydrophobicContact CD1-CG2 4.05Å
614	R	77.7	Confident	79.9	Confident	196 Å²	196	53.3 Å²	53.3	74%	0.74	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	124.9	175.1	-70.1	-178.5	179.8	155.5	0.8	110.8	K545 Y612 I616	K545-R614 PolarHBondContact NZ-O 2.96Å; Y612-R614 PolarHBondContact O-N 3.01Å; Y612-R614 VanDerWaalsContact O-N 3.14Å; R614-I616 VanDerWaalsContact C-N 3.3Å; R614-I616 PolarHBondContact O-N 2.9Å
615	K	79.7	Confident	81.9	Confident	197 Å²	197	49.5 Å²	49.5	86%	0.857	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	43.2	176.2	-54.6	-178	178	-175.7	0	112.7	F613	F613-K615 PolarHBondContact O-N 3.09Å
616	I	89.8	Confident	83.9	Confident	11 Å²	11	48 Å²	48	6%	0.056	22%	0.224	C	C	.	.			trans	-82.5	146.5	169.8	61.9	163.6	0	0	0	110	K545 I547 Y612 F613 R614 V619 T645 V650	K545-I616 HydrophobicContact CD-CG2 4.3Å; K545-I616 HydrophobicContact CG-CG2 4.32Å; I547-I616 HydrophobicContact CB-CG2 4.47Å; I547-I616 HydrophobicContact CG2-CD1 3.89Å; I547-I616 HydrophobicContact CG2-CG2 4.38Å; Y612-I616 WeakPolarHBondContact O-CG2 3.4Å; F613-I616 HydrophobicContact CD1-CD1 3.54Å; F613-I616 HydrophobicContact CD1-CG1 4.5Å; F613-I616 HydrophobicContact CE1-CD1 4.12Å; F613-I616 WeakPolarHBondContact O-CG1 3.16Å; R614-I616 VanDerWaalsContact C-N 3.3Å; R614-I616 PolarHBondContact O-N 2.9Å; I616-V619 HydrophobicContact CD1-CG2 3.32Å; I616-T645 HydrophobicContact CD1-CG2 3.91Å; I616-T645 HydrophobicContact CG1-CG2 4.34Å; I616-V650 HydrophobicContact CD1-CG1 4.09Å; I616-V650 HydrophobicContact CG1-CG1 4.28Å; I616-V650 HydrophobicContact CG1-CG2 4.32Å
617	D	92.9	Very high	85.2	Confident	63 Å²	63	48.7 Å²	48.7	34%	0.337	23%	0.229	S	C	.	.	S	Bend	trans	-98.4	-26.9	177.6	-57.7	-59.9	0	0	0	111.5	F544 K545 P651 M726	F544-D617 WeakPolarHBondContact CA-OD2 3.35Å; F544-D617 HydrophobicContact CB-CB 4.31Å; F544-D617 HydrophobicContact CD1-CB 3.93Å; K545-D617 PolarHBondContact N-OD2 3.27Å; K545-D617 PolarHBondContact O-N 2.98Å; D617-P651 WeakPolarHBondContact O-CD 3.34Å; D617-M726 VanDerWaalsContact C-SD 3.59Å; D617-M726 HydrophobicContact CB-CG 4.37Å; D617-M726 HydrophobicContact CB-SD 3.79Å; D617-M726 WeakPolarHBondContact O-CG 3.5Å
618	G	93.9	Very high	86.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	160	179.2	0	0	0	0	0	113.9	K545 V546 I547	K545-G618 PolarHBondContact O-N 3.27Å; V546-G618 WeakPolarHBondContact CA-O 3.19Å; I547-G618 PolarHBondContact N-O 2.96Å; I547-G618 VanDerWaalsContact N-O 3.17Å
619	V	94.4	Very high	87.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.7	177.5	-177	0	0	0	0	110.2	I547 V549 F613 I616 I641 V650 P651 I652 L653	I547-V619 HydrophobicContact CG2-CB 4.29Å; I547-V619 HydrophobicContact CG2-CG1 4.11Å; I547-V619 HydrophobicContact CG2-CG2 3.88Å; V549-V619 HydrophobicContact CG2-CG1 3.56Å; F613-V619 HydrophobicContact CE1-CG2 4.35Å; I616-V619 HydrophobicContact CD1-CG2 3.32Å; V619-I641 HydrophobicContact CG1-CD1 3.77Å; V619-I641 HydrophobicContact CG1-CG1 4.15Å; V619-I641 HydrophobicContact CG2-CG2 4.07Å; V619-V650 HydrophobicContact CG2-CG1 4.01Å; V619-P651 PolarHBondContact N-O 2.97Å; V619-I652 HydrophobicContact CB-CG1 4.29Å; V619-I652 HydrophobicContact CB-CG2 4.46Å; V619-I652 WeakPolarHBondContact O-CA 3.46Å; V619-L653 PolarHBondContact O-N 2.97Å
620	V	96.1	Very high	89	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	115	166.7	-178.1	0	0	0	0	108.4	V546 I547 L548 V549 M622 L653 V655 L722	V546-V620 HydrophobicContact CG1-CG2 3.72Å; I547-V620 PolarHBondContact O-N 3.3Å; L548-V620 HydrophobicContact CD2-CB 3.6Å; L548-V620 HydrophobicContact CD2-CG1 4.14Å; L548-V620 HydrophobicContact CD2-CG2 3.85Å; V549-V620 WeakPolarHBondContact CG2-O 3.38Å; V549-V620 PolarHBondContact N-O 3.42Å; V620-M622 HydrophobicContact CG1-CG 3.76Å; V620-M622 HydrophobicContact CG1-SD 4.38Å; V620-L653 WeakPolarHBondContact CA-O 3.31Å; V620-V655 HydrophobicContact CG1-CB 4.42Å; V620-V655 HydrophobicContact CG1-CG2 3.63Å; V620-L722 HydrophobicContact CG2-CD2 3.61Å
621	L	95.2	Very high	90	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	115.5	174.1	176.1	54.9	0	0	0	109.2	V549 I634 W637 M638 I641 I652 L653 L654 V655	V549-L621 HydrophobicContact CG2-CB 4.21Å; V549-L621 HydrophobicContact CG2-CD1 4Å; V549-L621 WeakPolarHBondContact O-CA 3.19Å; L621-I634 HydrophobicContact CD2-CG2 3.88Å; L621-W637 HydrophobicContact CD1-CB 3.54Å; L621-W637 HydrophobicContact CD1-CG 3.87Å; L621-W637 HydrophobicContact CD2-CB 4.09Å; L621-M638 HydrophobicContact CD2-CE 4Å; L621-I641 HydrophobicContact CB-CD1 4.5Å; L621-I641 HydrophobicContact CD2-CD1 4.25Å; L621-I652 HydrophobicContact CB-CG2 4.47Å; L621-L653 PolarHBondContact N-O 3.39Å; L621-L654 HydrophobicContact CB-CD1 4.31Å; L621-L654 HydrophobicContact CD2-CD1 4.12Å; L621-L654 HydrophobicContact CG-CD1 3.94Å; L621-L654 CarbonylContact O-C 3.6Å; L621-L654 WeakPolarHBondContact O-CA 3.18Å; L621-V655 PolarHBondContact O-N 3.01Å
622	M	96.1	Very high	90.8	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	139.4	-176.1	-59.2	-171.1	63	0	0	112.3	V549 V554 K556 F559 V620 V655 N657	V549-M622 PolarHBondContact O-N 3.14Å; V554-M622 HydrophobicContact CG2-CB 3.8Å; K556-M622 HydrophobicContact CB-SD 4.24Å; K556-M622 HydrophobicContact CG-CB 4.27Å; K556-M622 HydrophobicContact CG-CG 4.4Å; K556-M622 HydrophobicContact CG-SD 4Å; F559-M622 HydrophobicContact CB-CE 3.94Å; F559-M622 HydrophobicContact CB-SD 4.03Å; F559-M622 HydrophobicContact CD2-CE 4.16Å; F559-M622 HydrophobicContact CG-CE 4.22Å; F559-M622 HydrophobicContact CG-SD 4.2Å; V620-M622 HydrophobicContact CG1-CG 3.76Å; V620-M622 HydrophobicContact CG1-SD 4.38Å; M622-V655 WeakPolarHBondContact CA-O 3.41Å; M622-V655 HydrophobicContact CE-CG1 4.25Å; M622-V655 HydrophobicContact CG-CB 4.08Å; M622-N657 HydrophobicContact CE-CB 3.75Å
623	Y	96.7	Very high	91.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	162.9	164.8	72.8	-84.4	0	0	0	109.5	V625 F631 I634 L654 V655 G656 N657 I688 F704	Y623-V625 HydrophobicContact CE2-CG1 4.08Å; Y623-F631 HydrophobicContact CD1-CD2 4.32Å; Y623-F631 HydrophobicContact CD2-CB 3.96Å; Y623-F631 AromaticContact CD2-CD2 3.78Å; Y623-F631 HydrophobicContact CD2-CD2 3.78Å; Y623-F631 HydrophobicContact CD2-CG 4.35Å; Y623-F631 HydrophobicContact CE1-CD2 4.13Å; Y623-F631 HydrophobicContact CE1-CE2 4.45Å; Y623-F631 HydrophobicContact CE2-CB 4.42Å; Y623-F631 AromaticContact CE2-CD2 3.6Å; Y623-F631 HydrophobicContact CE2-CD2 3.6Å; Y623-F631 HydrophobicContact CE2-CE2 4.32Å; Y623-F631 HydrophobicContact CE2-CG 4.39Å; Y623-F631 HydrophobicContact CG-CB 4.48Å; Y623-F631 HydrophobicContact CG-CD2 4.14Å; Y623-F631 AromaticContact CZ-CD2 3.77Å; Y623-I634 HydrophobicContact CD1-CD1 3.57Å; Y623-I634 HydrophobicContact CD1-CG1 4.43Å; Y623-I634 HydrophobicContact CE1-CD1 4.08Å; Y623-I634 HydrophobicContact CG-CD1 3.88Å; Y623-L654 HydrophobicContact CD1-CD1 3.97Å; Y623-L654 HydrophobicContact CD1-CG 4.41Å; Y623-L654 HydrophobicContact CE1-CD1 4.19Å; Y623-L654 HydrophobicContact CE1-CD2 4.4Å; Y623-L654 HydrophobicContact CE1-CG 4.13Å; Y623-V655 VanDerWaalsContact CD1-O 3.26Å; Y623-V655 WeakPolarHBondContact CD1-O 3.46Å; Y623-V655 PolarHBondContact N-O 3.39Å; Y623-G656 VanDerWaalsContact CZ-CA 3.42Å; Y623-N657 PolarHBondContact O-N 2.67Å; Y623-I688 HydrophobicContact CE2-CB 4.2Å; Y623-I688 HydrophobicContact CE2-CG1 4.48Å; Y623-I688 HydrophobicContact CE2-CG2 3.93Å; Y623-F704 HydrophobicContact CE1-CE2 4.11Å
624	A	95.9	Very high	92	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131.5	177	0	0	0	0	0	110.3	V554 D626 Q627 T630 K658	V554-A624 HydrophobicContact CB-CB 4.33Å; V554-A624 HydrophobicContact CG1-CB 4.35Å; A624-D626 WeakPolarHBondContact CB-OD1 3.38Å; A624-D626 PolarHBondContact O-N 3.27Å; A624-Q627 HydrophobicContact CB-CB 4.34Å; A624-Q627 HydrophobicContact CB-CG 4.41Å; A624-Q627 PolarHBondContact O-N 2.96Å; A624-Q627 VanDerWaalsContact O-N 3.11Å; A624-T630 PolarHBondContact N-OG1 3.39Å; A624-T630 PolarHBondContact O-OG1 2.81Å; A624-K658 HydrophobicContact CB-CD 4.11Å; A624-K658 HydrophobicContact CB-CG 4.36Å
625	V	95.7	Very high	92.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.3	-175.4	-60.2	0	0	0	0	113.4	Y623 Q627 N657 K658 V659 R662 Y687 I688	Y623-V625 HydrophobicContact CE2-CG1 4.08Å; V625-Q627 VanDerWaalsContact C-N 3.35Å; V625-N657 WeakPolarHBondContact CG1-O 3.41Å; V625-N657 WeakPolarHBondContact CG2-O 3.33Å; V625-N657 PolarHBondContact N-O 3.34Å; V625-K658 VanDerWaalsContact CG2-O 3.27Å; V625-K658 WeakPolarHBondContact CG2-O 3.41Å; V625-V659 HydrophobicContact CG1-CG1 4.04Å; V625-V659 HydrophobicContact CG2-CG1 4.43Å; V625-R662 HydrophobicContact CG2-CB 4.1Å; V625-Y687 CarbonylContact O-C 3.5Å; V625-Y687 VanDerWaalsContact O-CA 3.25Å; V625-Y687 WeakPolarHBondContact O-CA 3.28Å; V625-I688 PolarHBondContact O-N 3.1Å
626	D	93.7	Very high	93.1	Very high	44 Å²	44	37.2 Å²	37.2	24%	0.235	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.7	175.8	65.8	-46	0	0	0	113.6	A624 K658 L661 Y687	A624-D626 WeakPolarHBondContact CB-OD1 3.38Å; A624-D626 PolarHBondContact O-N 3.27Å; D626-K658 WeakPolarHBondContact OD1-CD 3.49Å; D626-K658 IonicContact OD1-NZ 3.23Å; D626-K658 IonicContact OD2-NZ 3.1Å; D626-L661 HydrophobicContact CB-CB 4.38Å; D626-L661 HydrophobicContact CB-CD1 3.81Å; D626-L661 WeakPolarHBondContact OD2-CD1 3.5Å; D626-Y687 HydrophobicContact CB-CD1 3.86Å; D626-Y687 HydrophobicContact CB-CE1 3.56Å
627	Q	91.5	Very high	93.1	Very high	70 Å²	70	36.8 Å²	36.8	33%	0.327	19%	0.187	S	C	.	.			trans	-128	89.9	-176.9	-60.1	-174.8	-69.3	0	0	110.8	A624 V625 D629 T630	A624-Q627 HydrophobicContact CB-CB 4.34Å; A624-Q627 HydrophobicContact CB-CG 4.41Å; A624-Q627 PolarHBondContact O-N 2.96Å; A624-Q627 VanDerWaalsContact O-N 3.11Å; V625-Q627 VanDerWaalsContact C-N 3.35Å; Q627-D629 PolarHBondContact O-N 3.01Å; Q627-D629 VanDerWaalsContact O-N 3.13Å; Q627-T630 HydrophobicContact CB-CG2 3.73Å; Q627-T630 PolarHBondContact O-N 2.94Å; Q627-T630 PolarHBondContact O-OG1 2.73Å
628	P	90.8	Very high	92.9	Very high	48 Å²	48	33.9 Å²	33.9	31%	0.312	17%	0.171	S	C	.	.	H	α-helix	trans	-56.8	-28.1	-178.2	-27.2	35.7	0	0	0	115	T630 F631 T632 I688	P628-T630 VanDerWaalsContact C-N 3.33Å; P628-T630 PolarHBondContact O-N 3.42Å; P628-F631 WeakPolarHBondContact O-CB 3.3Å; P628-F631 PolarHBondContact O-N 3.3Å; P628-T632 PolarHBondContact O-N 3.42Å; P628-T632 PolarHBondContact O-OG1 3.47Å; P628-T632 VanDerWaalsContact O-OG1 3.11Å; P628-I688 HydrophobicContact CB-CD1 4.12Å; P628-I688 HydrophobicContact CG-CD1 4.45Å
629	D	91.3	Very high	92.6	Very high	121 Å²	121	39.8 Å²	39.8	65%	0.647	20%	0.199	S	C	*	.	H	α-helix	trans	-61.8	-41.5	176.3	-61.1	-43.2	0	0	0	111.7	Q627 F631 T632 N633	Q627-D629 PolarHBondContact O-N 3.01Å; Q627-D629 VanDerWaalsContact O-N 3.13Å; D629-F631 PolarHBondContact O-N 3.36Å; D629-T632 PolarHBondContact O-N 2.84Å; D629-T632 VanDerWaalsContact O-N 3.12Å; D629-N633 PolarHBondContact O-N 3.27Å; D629-N633 PolarHBondContact O-ND2 3.31Å
630	T	93.2	Very high	92.2	Very high	10 Å²	10	40.3 Å²	40.3	6%	0.061	20%	0.201	C	C	.	.	H	α-helix	trans	-65.3	-30.1	179.3	71.7	0	0	0	0	111.8	D551 V554 A624 Q627 P628	D551-T630 HydrophobicContact CB-CG2 3.99Å; V554-T630 HydrophobicContact CG1-CG2 3.71Å; A624-T630 PolarHBondContact N-OG1 3.39Å; A624-T630 PolarHBondContact O-OG1 2.81Å; Q627-T630 HydrophobicContact CB-CG2 3.73Å; Q627-T630 PolarHBondContact O-N 2.94Å; Q627-T630 PolarHBondContact O-OG1 2.73Å; P628-T630 VanDerWaalsContact C-N 3.33Å; P628-T630 PolarHBondContact O-N 3.42Å
631	F	94.6	Very high	91.8	Very high	30 Å²	30	40.3 Å²	40.3	13%	0.132	20%	0.201	C	C	.	.	H	α-helix	trans	-73.4	-40.8	173.9	-178.9	-106.2	0	0	0	111.8	Y623 P628 D629 N633 I634 I688 M692 V696	Y623-F631 HydrophobicContact CD1-CD2 4.32Å; Y623-F631 HydrophobicContact CD2-CB 3.96Å; Y623-F631 AromaticContact CD2-CD2 3.78Å; Y623-F631 HydrophobicContact CD2-CD2 3.78Å; Y623-F631 HydrophobicContact CD2-CG 4.35Å; Y623-F631 HydrophobicContact CE1-CD2 4.13Å; Y623-F631 HydrophobicContact CE1-CE2 4.45Å; Y623-F631 HydrophobicContact CE2-CB 4.42Å; Y623-F631 AromaticContact CE2-CD2 3.6Å; Y623-F631 HydrophobicContact CE2-CD2 3.6Å; Y623-F631 HydrophobicContact CE2-CE2 4.32Å; Y623-F631 HydrophobicContact CE2-CG 4.39Å; Y623-F631 HydrophobicContact CG-CB 4.48Å; Y623-F631 HydrophobicContact CG-CD2 4.14Å; Y623-F631 AromaticContact CZ-CD2 3.77Å; P628-F631 WeakPolarHBondContact O-CB 3.3Å; P628-F631 PolarHBondContact O-N 3.3Å; D629-F631 PolarHBondContact O-N 3.36Å; F631-N633 VanDerWaalsContact C-N 3.28Å; F631-N633 PolarHBondContact O-N 2.95Å; F631-I634 HydrophobicContact CB-CD1 4.41Å; F631-I634 HydrophobicContact CD2-CD1 3.33Å; F631-I634 HydrophobicContact CE2-CD1 3.79Å; F631-I634 HydrophobicContact CG-CD1 4.09Å; F631-I634 VanDerWaalsContact O-CB 3.29Å; F631-I634 WeakPolarHBondContact O-CB 3.24Å; F631-I634 VanDerWaalsContact O-CD1 3.31Å; F631-I634 WeakPolarHBondContact O-CD1 3.43Å; F631-I634 VanDerWaalsContact O-CG1 3.26Å; F631-I634 WeakPolarHBondContact O-CG1 3.38Å; F631-I634 PolarHBondContact O-N 3.49Å; F631-I688 HydrophobicContact CB-CD1 4.01Å; F631-I688 HydrophobicContact CB-CG1 3.87Å; F631-I688 HydrophobicContact CD1-CD1 3.75Å; F631-I688 HydrophobicContact CD1-CG1 4.3Å; F631-I688 HydrophobicContact CD1-CG2 4.37Å; F631-I688 HydrophobicContact CD2-CG2 3.94Å; F631-I688 HydrophobicContact CE1-CD1 4.43Å; F631-I688 HydrophobicContact CE1-CG2 4.42Å; F631-I688 HydrophobicContact CE2-CG2 4.04Å; F631-I688 HydrophobicContact CG-CD1 3.94Å; F631-I688 HydrophobicContact CG-CG1 3.98Å; F631-I688 HydrophobicContact CG-CG2 4.12Å; F631-I688 HydrophobicContact CZ-CG2 4.25Å; F631-M692 HydrophobicContact CE1-CB 4.42Å; F631-M692 HydrophobicContact CZ-CB 4.09Å; F631-V696 HydrophobicContact CE1-CG2 4.18Å; F631-V696 HydrophobicContact CE2-CB 4.36Å; F631-V696 HydrophobicContact CE2-CG2 4Å; F631-V696 HydrophobicContact CZ-CB 4.21Å; F631-V696 HydrophobicContact CZ-CG2 3.4Å; F631-V696 VanDerWaalsContact CZ-CG2 3.4Å
632	T	90.6	Very high	91.3	Very high	93 Å²	93	45.3 Å²	45.3	57%	0.571	22%	0.223	S	C	*	.	H	α-helix	trans	-62.9	-37.7	176.7	-56.3	0	0	0	0	111.5	P628 D629 I634	P628-T632 PolarHBondContact O-N 3.42Å; P628-T632 PolarHBondContact O-OG1 3.47Å; P628-T632 VanDerWaalsContact O-OG1 3.11Å; D629-T632 PolarHBondContact O-N 2.84Å; D629-T632 VanDerWaalsContact O-N 3.12Å; T632-I634 PolarHBondContact O-N 2.68Å
633	N	90.7	Very high	90.8	Very high	61 Å²	61	50.5 Å²	50.5	33%	0.326	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-6.8	179.3	-69.9	-20.4	0	0	0	114.5	D551 D629 F631 K635 Y636 W637	D551-N633 WeakPolarHBondContact OD2-CB 3.3Å; D551-N633 PolarHBondContact OD2-ND2 2.89Å; D629-N633 PolarHBondContact O-N 3.27Å; D629-N633 PolarHBondContact O-ND2 3.31Å; F631-N633 VanDerWaalsContact C-N 3.28Å; F631-N633 PolarHBondContact O-N 2.95Å; N633-K635 PolarHBondContact O-N 3.22Å; N633-Y636 WeakPolarHBondContact O-CB 3.36Å; N633-Y636 PolarHBondContact O-N 3.36Å; N633-W637 VanDerWaalsContact O-CD1 3.22Å; N633-W637 PolarHBondContact O-N 3.41Å; N633-W637 VanDerWaalsContact O-N 3.1Å
634	I	92.4	Very high	90	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-54.6	-39.1	174.1	-70.7	166.7	0	0	0	111.3	L621 Y623 F631 T632 Y636 W637 M638 L654 V696	L621-I634 HydrophobicContact CD2-CG2 3.88Å; Y623-I634 HydrophobicContact CD1-CD1 3.57Å; Y623-I634 HydrophobicContact CD1-CG1 4.43Å; Y623-I634 HydrophobicContact CE1-CD1 4.08Å; Y623-I634 HydrophobicContact CG-CD1 3.88Å; F631-I634 HydrophobicContact CB-CD1 4.41Å; F631-I634 HydrophobicContact CD2-CD1 3.33Å; F631-I634 HydrophobicContact CE2-CD1 3.79Å; F631-I634 HydrophobicContact CG-CD1 4.09Å; F631-I634 VanDerWaalsContact O-CB 3.29Å; F631-I634 WeakPolarHBondContact O-CB 3.24Å; F631-I634 VanDerWaalsContact O-CD1 3.31Å; F631-I634 WeakPolarHBondContact O-CD1 3.43Å; F631-I634 VanDerWaalsContact O-CG1 3.26Å; F631-I634 WeakPolarHBondContact O-CG1 3.38Å; F631-I634 PolarHBondContact O-N 3.49Å; T632-I634 PolarHBondContact O-N 2.68Å; I634-Y636 VanDerWaalsContact C-N 3.34Å; I634-Y636 PolarHBondContact O-N 2.92Å; I634-W637 PolarHBondContact O-N 3.25Å; I634-M638 VanDerWaalsContact O-CB 3.29Å; I634-M638 WeakPolarHBondContact O-CB 3.47Å; I634-M638 PolarHBondContact O-N 3.43Å; I634-L654 HydrophobicContact CD1-CD1 3.85Å; I634-L654 HydrophobicContact CD1-CD2 4.44Å; I634-L654 HydrophobicContact CG1-CD1 4.2Å; I634-L654 HydrophobicContact CG2-CD1 4.16Å; I634-V696 HydrophobicContact CG2-CG1 3.96Å
635	K	90.3	Very high	89.2	Confident	133 Å²	133	53.5 Å²	53.5	58%	0.578	27%	0.267	S	S	*	.	H	α-helix	trans	-59.1	-46.8	-179.9	-68.8	-179.3	-179.4	176.3	0	111.6	N633 M638 E639	N633-K635 PolarHBondContact O-N 3.22Å; K635-M638 WeakPolarHBondContact O-CB 3.35Å; K635-M638 PolarHBondContact O-N 2.97Å; K635-E639 PolarHBondContact O-N 3.14Å
636	Y	88.5	Confident	87.9	Confident	92 Å²	92	58.1 Å²	58.1	36%	0.361	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-48.2	176.4	166.2	-95.4	0	0	0	111.7	N633 I634 M638 E639 M640	N633-Y636 WeakPolarHBondContact O-CB 3.36Å; N633-Y636 PolarHBondContact O-N 3.36Å; I634-Y636 VanDerWaalsContact C-N 3.34Å; I634-Y636 PolarHBondContact O-N 2.92Å; Y636-M638 VanDerWaalsContact C-N 3.28Å; Y636-M638 PolarHBondContact O-N 2.97Å; Y636-E639 PolarHBondContact O-N 3.44Å; Y636-M640 HydrophobicContact CD1-SD 4.32Å; Y636-M640 HydrophobicContact CE1-CG 4.1Å; Y636-M640 HydrophobicContact CE1-SD 3.36Å; Y636-M640 WeakPolarHBondContact CE1-SD 3.33Å; Y636-M640 HydrophobicContact CE2-CG 4.21Å; Y636-M640 HydrophobicContact CE2-SD 4.19Å; Y636-M640 PolarHBondContact O-N 3.04Å; Y636-M640 PolarHBondContact OH-SD 3.06Å
637	W	90.1	Very high	86.6	Confident	3 Å²	3	65.2 Å²	65.2	1%	0.011	33%	0.332	C	S	.	.	H	α-helix	trans	-62.2	-37.3	177.7	-74.3	110.9	0	0	0	112.2	V549 G550 D551 R606 L621 N633 I634 M640 I641	V549-W637 HydrophobicContact CB-CE3 4.21Å; V549-W637 HydrophobicContact CB-CZ3 4.35Å; G550-W637 WeakPolarHBondContact O-CZ2 3.47Å; D551-W637 PolarHBondContact OD1-NE1 3.44Å; R606-W637 HydrophobicContact CG-CH2 4.04Å; L621-W637 HydrophobicContact CD1-CB 3.54Å; L621-W637 HydrophobicContact CD1-CG 3.87Å; L621-W637 HydrophobicContact CD2-CB 4.09Å; N633-W637 VanDerWaalsContact O-CD1 3.22Å; N633-W637 PolarHBondContact O-N 3.41Å; N633-W637 VanDerWaalsContact O-N 3.1Å; I634-W637 PolarHBondContact O-N 3.25Å; W637-M640 HydrophobicContact CE3-SD 4.2Å; W637-M640 HydrophobicContact CZ3-SD 4.25Å; W637-M640 PolarHBondContact O-N 3.45Å; W637-I641 WeakPolarHBondContact O-CD1 3.37Å; W637-I641 WeakPolarHBondContact O-CG1 3.41Å; W637-I641 PolarHBondContact O-N 2.93Å
638	M	90.1	Very high	85.6	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-64.3	-42.3	177.1	-168.6	64.5	65.9	0	0	112.1	L621 I634 K635 Y636 I641 K642 I652 H700 V702	L621-M638 HydrophobicContact CD2-CE 4Å; I634-M638 VanDerWaalsContact O-CB 3.29Å; I634-M638 WeakPolarHBondContact O-CB 3.47Å; I634-M638 PolarHBondContact O-N 3.43Å; K635-M638 WeakPolarHBondContact O-CB 3.35Å; K635-M638 PolarHBondContact O-N 2.97Å; Y636-M638 VanDerWaalsContact C-N 3.28Å; Y636-M638 PolarHBondContact O-N 2.97Å; M638-I641 PolarHBondContact O-N 3.25Å; M638-K642 HydrophobicContact CG-CD 4.46Å; M638-K642 WeakPolarHBondContact O-CB 3.39Å; M638-K642 VanDerWaalsContact O-CG 3.3Å; M638-K642 WeakPolarHBondContact O-CG 3.49Å; M638-K642 PolarHBondContact O-N 3.1Å; M638-I652 HydrophobicContact CE-CG2 4.39Å; M638-I652 HydrophobicContact SD-CD1 3.77Å; M638-H700 HydrophobicContact CE-CB 4.03Å; M638-H700 HydrophobicContact SD-CB 4.45Å; M638-V702 HydrophobicContact CE-CG1 4.07Å; M638-V702 HydrophobicContact CE-CG2 4.24Å; M638-V702 HydrophobicContact SD-CG1 4.32Å
639	E	87.4	Confident	85.1	Confident	123 Å²	123	69.5 Å²	69.5	58%	0.575	36%	0.356	S	S	*	.	H	α-helix	trans	-62.8	-47.4	174.5	-73.3	174.7	177.1	0	0	111.1	K635 Y636 I641 K642 E643	K635-E639 PolarHBondContact O-N 3.14Å; Y636-E639 PolarHBondContact O-N 3.44Å; E639-I641 VanDerWaalsContact C-N 3.34Å; E639-I641 PolarHBondContact O-N 3.43Å; E639-K642 PolarHBondContact O-N 3.07Å; E639-E643 WeakPolarHBondContact O-CG 3.07Å; E639-E643 PolarHBondContact O-N 2.86Å
640	M	84.7	Confident	85.1	Confident	11 Å²	11	64.3 Å²	64.3	5%	0.054	33%	0.329	C	S	.	.	H	α-helix	trans	-56.9	-44.6	175.4	-78.5	-165.1	69.7	0	0	113.1	R610 Y636 W637 S644	R610-M640 HydrophobicContact CG-CE 4.33Å; Y636-M640 HydrophobicContact CD1-SD 4.32Å; Y636-M640 HydrophobicContact CE1-CG 4.1Å; Y636-M640 HydrophobicContact CE1-SD 3.36Å; Y636-M640 WeakPolarHBondContact CE1-SD 3.33Å; Y636-M640 HydrophobicContact CE2-CG 4.21Å; Y636-M640 HydrophobicContact CE2-SD 4.19Å; Y636-M640 PolarHBondContact O-N 3.04Å; Y636-M640 PolarHBondContact OH-SD 3.06Å; W637-M640 HydrophobicContact CE3-SD 4.2Å; W637-M640 HydrophobicContact CZ3-SD 4.25Å; W637-M640 PolarHBondContact O-N 3.45Å; M640-S644 WeakPolarHBondContact O-CB 3.41Å; M640-S644 PolarHBondContact O-N 3.37Å; M640-S644 VanDerWaalsContact O-N 3.13Å; M640-S644 PolarHBondContact O-OG 3.15Å
641	I	87.8	Confident	85.1	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.9	-51.1	178.1	-67.1	157.3	0	0	0	109	V549 F613 V619 L621 W637 M638 E639 E643 S644 T645 I652	V549-I641 HydrophobicContact CG2-CD1 3.94Å; V549-I641 HydrophobicContact CG2-CG1 4.38Å; F613-I641 HydrophobicContact CE1-CB 4.38Å; F613-I641 HydrophobicContact CE1-CG1 3.99Å; F613-I641 HydrophobicContact CE1-CG2 4.31Å; F613-I641 HydrophobicContact CZ-CG1 4.01Å; V619-I641 HydrophobicContact CG1-CD1 3.77Å; V619-I641 HydrophobicContact CG1-CG1 4.15Å; V619-I641 HydrophobicContact CG2-CG2 4.07Å; L621-I641 HydrophobicContact CB-CD1 4.5Å; L621-I641 HydrophobicContact CD2-CD1 4.25Å; W637-I641 WeakPolarHBondContact O-CD1 3.37Å; W637-I641 WeakPolarHBondContact O-CG1 3.41Å; W637-I641 PolarHBondContact O-N 2.93Å; M638-I641 PolarHBondContact O-N 3.25Å; E639-I641 VanDerWaalsContact C-N 3.34Å; E639-I641 PolarHBondContact O-N 3.43Å; I641-E643 PolarHBondContact O-N 3.5Å; I641-S644 PolarHBondContact O-N 3.18Å; I641-S644 VanDerWaalsContact O-N 3.07Å; I641-S644 PolarHBondContact O-OG 3.17Å; I641-T645 HydrophobicContact CG2-CG2 4.31Å; I641-T645 PolarHBondContact O-N 3.45Å; I641-T645 PolarHBondContact O-OG1 3.27Å; I641-T645 VanDerWaalsContact O-OG1 3.07Å; I641-I652 HydrophobicContact CG2-CD1 3.67Å; I641-I652 HydrophobicContact CG2-CG1 4.24Å
642	K	85.9	Confident	85.2	Confident	106 Å²	106	64.5 Å²	64.5	46%	0.461	33%	0.332	S	S	.	.	H	α-helix	trans	-58.5	-44.3	-179	-74.7	175.3	178.8	-175.7	0	112.6	M638 E639 S644 T645 S646	M638-K642 HydrophobicContact CG-CD 4.46Å; M638-K642 WeakPolarHBondContact O-CB 3.39Å; M638-K642 VanDerWaalsContact O-CG 3.3Å; M638-K642 WeakPolarHBondContact O-CG 3.49Å; M638-K642 PolarHBondContact O-N 3.1Å; E639-K642 PolarHBondContact O-N 3.07Å; K642-S644 VanDerWaalsContact C-N 3.3Å; K642-S644 PolarHBondContact O-N 3.21Å; K642-T645 PolarHBondContact O-N 3.5Å; K642-S646 WeakPolarHBondContact O-CA 3.44Å; K642-S646 PolarHBondContact O-N 2.79Å; K642-S646 VanDerWaalsContact O-N 3.08Å; K642-S646 PolarHBondContact O-OG 3.23Å
643	E	83.9	Confident	85.5	Confident	112 Å²	112	60.1 Å²	60.1	52%	0.523	31%	0.305	S	S	.	.	H	α-helix	trans	-57	-46	175	-74	176.7	179.8	0	0	111.3	R610 E639 I641 S646	R610-E643 IonicContact CZ-OE2 2.64Å; R610-E643 IonicContact NH2-OE2 3.61Å; R610-E643 PolarHBondContact NH2-OE2 3.47Å; E639-E643 WeakPolarHBondContact O-CG 3.07Å; E639-E643 PolarHBondContact O-N 2.86Å; I641-E643 PolarHBondContact O-N 3.5Å; E643-S646 PolarHBondContact O-OG 3Å
644	S	80.4	Confident	85.8	Confident	41 Å²	41	57.2 Å²	57.2	29%	0.287	29%	0.29	S	S	.	.	H	α-helix	trans	-75.3	-25.8	-175.8	69	0	0	0	0	114.6	F613 M640 I641 K642	F613-S644 WeakPolarHBondContact CD1-OG 3.33Å; F613-S644 WeakPolarHBondContact CE1-OG 3.42Å; F613-S644 WeakPolarHBondContact CG-OG 3.42Å; M640-S644 WeakPolarHBondContact O-CB 3.41Å; M640-S644 PolarHBondContact O-N 3.37Å; M640-S644 VanDerWaalsContact O-N 3.13Å; M640-S644 PolarHBondContact O-OG 3.15Å; I641-S644 PolarHBondContact O-N 3.18Å; I641-S644 VanDerWaalsContact O-N 3.07Å; I641-S644 PolarHBondContact O-OG 3.17Å; K642-S644 VanDerWaalsContact C-N 3.3Å; K642-S644 PolarHBondContact O-N 3.21Å
645	T	79.3	Confident	86.1	Confident	21 Å²	21	57.1 Å²	57.1	13%	0.129	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	16	-178.4	67.1	0	0	0	0	113.1	F613 I616 I641 K642 E647 V648 V650	F613-T645 HydrophobicContact CD1-CG2 4.05Å; I616-T645 HydrophobicContact CD1-CG2 3.91Å; I616-T645 HydrophobicContact CG1-CG2 4.34Å; I641-T645 HydrophobicContact CG2-CG2 4.31Å; I641-T645 PolarHBondContact O-N 3.45Å; I641-T645 PolarHBondContact O-OG1 3.27Å; I641-T645 VanDerWaalsContact O-OG1 3.07Å; K642-T645 PolarHBondContact O-N 3.5Å; T645-E647 PolarHBondContact O-N 3.44Å; T645-V648 CarbonylContact O-C 3.56Å; T645-V648 PolarHBondContact O-N 2.9Å; T645-V650 HydrophobicContact CG2-CB 4.35Å; T645-V650 HydrophobicContact CG2-CG2 4.02Å
646	S	68.5	Low	86.5	Confident	98 Å²	98	50.8 Å²	50.8	69%	0.685	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-28	-172.3	-60.8	0	0	0	0	115.2	K642 E643	K642-S646 WeakPolarHBondContact O-CA 3.44Å; K642-S646 PolarHBondContact O-N 2.79Å; K642-S646 VanDerWaalsContact O-N 3.08Å; K642-S646 PolarHBondContact O-OG 3.23Å; E643-S646 PolarHBondContact O-OG 3Å
647	E	65.7	Low	86.9	Confident	193 Å²	193	46.5 Å²	46.5	90%	0.902	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-23.7	-177.6	-62.4	175.8	-172.8	0	0	114	T645	T645-E647 PolarHBondContact O-N 3.44Å
648	V	70.9	Confident	87.2	Confident	70 Å²	70	48.7 Å²	48.7	42%	0.424	26%	0.255	S	S	.	.	S	Bend	trans	-135.8	127.4	-172	-177	0	0	0	0	109.5	T645 V650	T645-V648 CarbonylContact O-C 3.56Å; T645-V648 PolarHBondContact O-N 2.9Å; V648-V650 HydrophobicContact CB-CG2 4.34Å; V648-V650 HydrophobicContact CG1-CG2 4.19Å; V648-V650 PolarHBondContact O-N 3.45Å
649	N	81.8	Confident	87.4	Confident	137 Å²	137	48.8 Å²	48.8	73%	0.733	26%	0.255	S	S	*	.			trans	-70	97.2	172.4	-172.6	26.3	0	0	0	109.6	N729	N649-N729 PolarHBondContact O-ND2 2.93Å
650	V	90.2	Very high	87.7	Confident	12 Å²	12	44.3 Å²	44.3	7%	0.073	24%	0.235	C	C	.	.			trans	-92.5	131.3	-179.9	177.2	0	0	0	0	109.4	I616 V619 T645 V648 I652	I616-V650 HydrophobicContact CD1-CG1 4.09Å; I616-V650 HydrophobicContact CG1-CG1 4.28Å; I616-V650 HydrophobicContact CG1-CG2 4.32Å; V619-V650 HydrophobicContact CG2-CG1 4.01Å; T645-V650 HydrophobicContact CG2-CB 4.35Å; T645-V650 HydrophobicContact CG2-CG2 4.02Å; V648-V650 HydrophobicContact CB-CG2 4.34Å; V648-V650 HydrophobicContact CG1-CG2 4.19Å; V648-V650 PolarHBondContact O-N 3.45Å; V650-I652 PolarHBondContact O-N 3.4Å
651	P	93.7	Very high	88	Confident	25 Å²	25	46.8 Å²	46.8	16%	0.162	25%	0.249	C	C	.	.			trans	-63.2	131.5	174.6	-16.4	31.8	0	0	0	110.9	D617 V619 L722 M726 N729	D617-P651 WeakPolarHBondContact O-CD 3.34Å; V619-P651 PolarHBondContact N-O 2.97Å; P651-L722 HydrophobicContact CB-CD1 4.12Å; P651-M726 HydrophobicContact CG-CG 4.25Å; P651-N729 WeakPolarHBondContact CD-ND2 3.48Å; P651-N729 VanDerWaalsContact CG-ND2 3.26Å; P651-N729 WeakPolarHBondContact CG-ND2 3.36Å
652	I	95.4	Very high	87.9	Confident	19 Å²	19	49 Å²	49	10%	0.097	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.9	177.4	-54.4	172.5	0	0	0	107.9	V619 L621 M638 I641 V650 V702 S703	V619-I652 HydrophobicContact CB-CG1 4.29Å; V619-I652 HydrophobicContact CB-CG2 4.46Å; V619-I652 WeakPolarHBondContact O-CA 3.46Å; L621-I652 HydrophobicContact CB-CG2 4.47Å; M638-I652 HydrophobicContact CE-CG2 4.39Å; M638-I652 HydrophobicContact SD-CD1 3.77Å; I641-I652 HydrophobicContact CG2-CD1 3.67Å; I641-I652 HydrophobicContact CG2-CG1 4.24Å; V650-I652 PolarHBondContact O-N 3.4Å; I652-V702 HydrophobicContact CB-CB 4.24Å; I652-V702 HydrophobicContact CB-CG1 3.78Å; I652-V702 HydrophobicContact CD1-CG1 4.3Å; I652-V702 HydrophobicContact CG2-CB 4.48Å; I652-V702 HydrophobicContact CG2-CG1 4.17Å; I652-S703 PolarHBondContact O-N 3.06Å
653	L	97.6	Very high	87.7	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116.5	171	178.7	65.2	0	0	0	109.4	V619 V620 L621 V655 I705 A718 L721 L722	V619-L653 PolarHBondContact O-N 2.97Å; V620-L653 WeakPolarHBondContact CA-O 3.31Å; L621-L653 PolarHBondContact N-O 3.39Å; L653-V655 HydrophobicContact CD2-CG2 3.87Å; L653-V655 HydrophobicContact CG-CG2 3.79Å; L653-I705 HydrophobicContact CD1-CG2 3.95Å; L653-I705 HydrophobicContact CD2-CG2 4.19Å; L653-I705 HydrophobicContact CG-CG2 4.32Å; L653-A718 HydrophobicContact CD2-CB 3.94Å; L653-A718 WeakPolarHBondContact CD2-O 3.1Å; L653-L721 HydrophobicContact CD1-CD2 3.65Å; L653-L722 HydrophobicContact CB-CD1 4.07Å; L653-L722 HydrophobicContact CD2-CB 4.25Å
654	L	98.2	Very high	87	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	126.3	169.7	-176.9	65.2	0	0	0	109.7	L621 Y623 I634 V696 A697 V702 S703 F704 I705	L621-L654 HydrophobicContact CB-CD1 4.31Å; L621-L654 HydrophobicContact CD2-CD1 4.12Å; L621-L654 HydrophobicContact CG-CD1 3.94Å; L621-L654 CarbonylContact O-C 3.6Å; L621-L654 WeakPolarHBondContact O-CA 3.18Å; Y623-L654 HydrophobicContact CD1-CD1 3.97Å; Y623-L654 HydrophobicContact CD1-CG 4.41Å; Y623-L654 HydrophobicContact CE1-CD1 4.19Å; Y623-L654 HydrophobicContact CE1-CD2 4.4Å; Y623-L654 HydrophobicContact CE1-CG 4.13Å; I634-L654 HydrophobicContact CD1-CD1 3.85Å; I634-L654 HydrophobicContact CD1-CD2 4.44Å; I634-L654 HydrophobicContact CG1-CD1 4.2Å; I634-L654 HydrophobicContact CG2-CD1 4.16Å; L654-V696 HydrophobicContact CD2-CG1 4.2Å; L654-A697 HydrophobicContact CD2-CB 4.11Å; L654-V702 HydrophobicContact CB-CG2 4.18Å; L654-S703 PolarHBondContact N-O 3.47Å; L654-F704 HydrophobicContact CB-CD2 4.14Å; L654-F704 HydrophobicContact CD2-CD2 3.98Å; L654-F704 HydrophobicContact CD2-CE2 4.45Å; L654-F704 HydrophobicContact CG-CD2 3.96Å; L654-F704 HydrophobicContact CG-CE2 4.45Å; L654-F704 WeakPolarHBondContact O-CA 3.41Å; L654-F704 WeakPolarHBondContact O-CD2 3.42Å; L654-I705 PolarHBondContact O-N 2.92Å; L654-I705 VanDerWaalsContact O-N 3.07Å
655	V	98.3	Very high	86	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118.1	-177.7	-179.6	0	0	0	0	110.6	V620 L621 M622 Y623 L653 I705 T707	V620-V655 HydrophobicContact CG1-CB 4.42Å; V620-V655 HydrophobicContact CG1-CG2 3.63Å; L621-V655 PolarHBondContact O-N 3.01Å; M622-V655 WeakPolarHBondContact CA-O 3.41Å; M622-V655 HydrophobicContact CE-CG1 4.25Å; M622-V655 HydrophobicContact CG-CB 4.08Å; Y623-V655 VanDerWaalsContact CD1-O 3.26Å; Y623-V655 WeakPolarHBondContact CD1-O 3.46Å; Y623-V655 PolarHBondContact N-O 3.39Å; L653-V655 HydrophobicContact CD2-CG2 3.87Å; L653-V655 HydrophobicContact CG-CG2 3.79Å; V655-I705 VanDerWaalsContact CA-O 3.29Å; V655-I705 WeakPolarHBondContact CA-O 3.49Å; V655-I705 HydrophobicContact CG2-CG2 4.06Å; V655-T707 HydrophobicContact CG1-CG2 3.71Å; V655-T707 WeakPolarHBondContact CG1-OG1 3.39Å
656	G	97.9	Very high	84.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	105.6	166	0	0	0	0	0	110.1	Y623 I705 E706 T707	Y623-G656 VanDerWaalsContact CZ-CA 3.42Å; G656-I705 PolarHBondContact N-O 3.46Å; G656-E706 CarbonylContact O-C 3.57Å; G656-E706 VanDerWaalsContact O-CA 3.25Å; G656-E706 WeakPolarHBondContact O-CA 3.43Å; G656-T707 PolarHBondContact O-N 3.13Å
657	N	97.4	Very high	83.9	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	167.6	-177.2	-170.4	26.8	0	0	0	112.4	V554 M622 Y623 V625 T707 V709	V554-N657 PolarHBondContact O-ND2 3Å; M622-N657 HydrophobicContact CE-CB 3.75Å; Y623-N657 PolarHBondContact O-N 2.67Å; V625-N657 WeakPolarHBondContact CG1-O 3.41Å; V625-N657 WeakPolarHBondContact CG2-O 3.33Å; V625-N657 PolarHBondContact N-O 3.34Å; N657-T707 CarbonylContact C-O 3.49Å; N657-T707 WeakPolarHBondContact CA-O 3.46Å; N657-T707 PolarHBondContact OD1-O 3.39Å; N657-T707 PolarHBondContact OD1-OG1 3.44Å; N657-V709 WeakPolarHBondContact OD1-CG2 3.4Å; N657-V709 PolarHBondContact OD1-N 2.98Å
658	K	95.5	Very high	83.1	Confident	48 Å²	48	44.4 Å²	44.4	21%	0.209	25%	0.254	C	S	.	.			trans	66.3	33.3	178.9	-48	-168.8	-162.1	160	0	114.1	G553 A624 V625 D626 D660 L661 T707	G553-K658 WeakPolarHBondContact O-CE 3.39Å; G553-K658 PolarHBondContact O-NZ 3.04Å; A624-K658 HydrophobicContact CB-CD 4.11Å; A624-K658 HydrophobicContact CB-CG 4.36Å; V625-K658 VanDerWaalsContact CG2-O 3.27Å; V625-K658 WeakPolarHBondContact CG2-O 3.41Å; D626-K658 WeakPolarHBondContact OD1-CD 3.49Å; D626-K658 IonicContact OD1-NZ 3.23Å; D626-K658 IonicContact OD2-NZ 3.1Å; K658-D660 WeakPolarHBondContact CA-OD1 3.37Å; K658-D660 PolarHBondContact O-N 3.2Å; K658-D660 VanDerWaalsContact O-N 3.14Å; K658-L661 HydrophobicContact CB-CD1 3.98Å; K658-L661 HydrophobicContact CB-CG 4.27Å; K658-L661 HydrophobicContact CD-CD1 3.93Å; K658-L661 WeakPolarHBondContact O-CB 3.38Å; K658-L661 PolarHBondContact O-N 2.98Å; K658-T707 PolarHBondContact N-O 3.03Å
659	V	95.1	Very high	81.9	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.024	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-19.3	178.9	-61	0	0	0	0	114.2	V625 L661 R662 N663 E706 T707	V625-V659 HydrophobicContact CG1-CG1 4.04Å; V625-V659 HydrophobicContact CG2-CG1 4.43Å; V659-L661 PolarHBondContact O-N 3.25Å; V659-R662 PolarHBondContact O-N 3.42Å; V659-N663 WeakPolarHBondContact O-CB 3.5Å; V659-N663 PolarHBondContact O-N 3.1Å; V659-N663 PolarHBondContact O-ND2 3.45Å; V659-N663 PolarHBondContact O-OD1 2.97Å; V659-E706 HydrophobicContact CG1-CB 3.77Å; V659-E706 HydrophobicContact CG1-CG 4.12Å; V659-T707 WeakPolarHBondContact CG2-O 3.38Å; V659-T707 PolarHBondContact N-O 2.86Å
660	D	93.2	Very high	80.2	Confident	30 Å²	30	47.2 Å²	47.2	16%	0.16	26%	0.262	C	S	.	.	H	α-helix	trans	-55.9	-34.5	168.4	50.5	-75	0	0	0	112.8	K658 N663 T664 S708 L710	K658-D660 WeakPolarHBondContact CA-OD1 3.37Å; K658-D660 PolarHBondContact O-N 3.2Å; K658-D660 VanDerWaalsContact O-N 3.14Å; D660-N663 PolarHBondContact O-N 3.23Å; D660-T664 PolarHBondContact O-N 3.41Å; D660-T664 PolarHBondContact O-OG1 3.37Å; D660-S708 VanDerWaalsContact CG-OG 3.26Å; D660-S708 VanDerWaalsContact OD1-CB 3.32Å; D660-S708 WeakPolarHBondContact OD1-CB 3.38Å; D660-S708 PolarHBondContact OD1-OG 3.41Å; D660-L710 HydrophobicContact CB-CD2 4.5Å; D660-L710 WeakPolarHBondContact OD2-CD2 3.43Å
661	L	90.6	Very high	77.8	Confident	63 Å²	63	55.1 Å²	55.1	33%	0.33	30%	0.298	S	S	.	.	H	α-helix	trans	-70.9	-36.6	177.2	-61.8	-179.8	0	0	0	112.1	D626 K658 V659 Y687	D626-L661 HydrophobicContact CB-CB 4.38Å; D626-L661 HydrophobicContact CB-CD1 3.81Å; D626-L661 WeakPolarHBondContact OD2-CD1 3.5Å; K658-L661 HydrophobicContact CB-CD1 3.98Å; K658-L661 HydrophobicContact CB-CG 4.27Å; K658-L661 HydrophobicContact CD-CD1 3.93Å; K658-L661 WeakPolarHBondContact O-CB 3.38Å; K658-L661 PolarHBondContact O-N 2.98Å; V659-L661 PolarHBondContact O-N 3.25Å; L661-Y687 HydrophobicContact CB-CE1 3.98Å
662	R	87	Confident	75	Confident	46 Å²	46	58.8 Å²	58.8	17%	0.174	32%	0.324	C	S	.	.	H	α-helix	trans	-71.7	-39.2	175.3	-171.3	176.8	68.9	-157.9	-2.4	111.7	V625 V659 Y687 I688 E706	V625-R662 HydrophobicContact CG2-CB 4.1Å; V659-R662 PolarHBondContact O-N 3.42Å; R662-Y687 HydrophobicContact CB-CD1 4.13Å; R662-Y687 HydrophobicContact CB-CG 4.17Å; R662-Y687 HydrophobicContact CG-CG 4.11Å; R662-I688 WeakPolarHBondContact CD-O 3.46Å; R662-I688 PolarHBondContact NH1-O 3Å; R662-E706 IonicContact CZ-OE1 4Å; R662-E706 IonicContact CZ-OE2 3.46Å; R662-E706 IonicContact NH1-OE1 2.85Å; R662-E706 PolarHBondContact NH1-OE1 3.34Å; R662-E706 IonicContact NH1-OE2 2.74Å; R662-E706 VanDerWaalsContact NH2-CD 3.28Å; R662-E706 IonicContact NH2-OE1 3.3Å; R662-E706 PolarHBondContact NH2-OE1 3.48Å; R662-E706 IonicContact NH2-OE2 3.85Å; R662-E706 PolarHBondContact NH2-OE2 3.48Å
663	N	80.1	Confident	72.2	Confident	82 Å²	82	67.6 Å²	67.6	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-68.6	-38.3	-178.7	-68.4	-11.1	0	0	0	111.9	V659 D660 S665 S666	V659-N663 WeakPolarHBondContact O-CB 3.5Å; V659-N663 PolarHBondContact O-N 3.1Å; V659-N663 PolarHBondContact O-ND2 3.45Å; V659-N663 PolarHBondContact O-OD1 2.97Å; D660-N663 PolarHBondContact O-N 3.23Å; N663-S665 VanDerWaalsContact C-N 3.32Å; N663-S665 PolarHBondContact O-N 3.31Å; N663-S666 PolarHBondContact O-N 2.98Å; N663-S666 VanDerWaalsContact O-N 3.15Å; N663-S666 PolarHBondContact O-OG 3.01Å
664	T	70.9	Confident	69.4	Low	95 Å²	95	74.1 Å²	74.1	58%	0.583	39%	0.393	S	S	*	.	H	α-helix	trans	-59	-41	179	-54.1	0	0	0	0	112.2	D660 S666 N667	D660-T664 PolarHBondContact O-N 3.41Å; D660-T664 PolarHBondContact O-OG1 3.37Å; T664-S666 VanDerWaalsContact C-N 3.29Å; T664-S666 PolarHBondContact O-N 2.93Å; T664-N667 PolarHBondContact O-N 3.35Å
665	S	58.2	Low	67	Low	42 Å²	42	81.3 Å²	81.3	29%	0.294	43%	0.43	S	S	.	.	H	α-helix	trans	-66.2	-25.8	177.8	-61.8	0	0	0	0	114.3	N663 S668	N663-S665 VanDerWaalsContact C-N 3.32Å; N663-S665 PolarHBondContact O-N 3.31Å; S665-S668 PolarHBondContact O-OG 3Å; S665-S668 VanDerWaalsContact O-OG 3.06Å
666	S	54.9	Low	64.4	Low	63 Å²	63	86.5 Å²	86.5	44%	0.441	46%	0.457	S	S	.	.	H	α-helix	trans	-77.9	-20.7	178.2	69.8	0	0	0	0	113.7	N663 T664 T669	N663-S666 PolarHBondContact O-N 2.98Å; N663-S666 VanDerWaalsContact O-N 3.15Å; N663-S666 PolarHBondContact O-OG 3.01Å; T664-S666 VanDerWaalsContact C-N 3.29Å; T664-S666 PolarHBondContact O-N 2.93Å; S666-T669 PolarHBondContact O-OG1 3.37Å
667	N	49.6	Very low	61.9	Low	110 Å²	110	92.1 Å²	92.1	59%	0.588	49%	0.487	S	S	*	.	H	α-helix	trans	-86.9	-31.5	-179.6	-74.5	-17.5	0	0	0	112.7	T664 T669 K670	T664-N667 PolarHBondContact O-N 3.35Å; N667-T669 PolarHBondContact O-N 3.05Å; N667-T669 VanDerWaalsContact O-N 3.16Å; N667-K670 PolarHBondContact O-N 2.95Å
668	S	49	Very low	59.5	Low	83 Å²	83	99.6 Å²	99.6	58%	0.58	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.5	177.9	49.7	0	0	0	0	113.4	S665	S665-S668 PolarHBondContact O-OG 3Å; S665-S668 VanDerWaalsContact O-OG 3.06Å
669	T	46	Very low	57.3	Low	94 Å²	94	103 Å²	103	58%	0.577	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-11.1	178.4	20.6	0	0	0	0	114.8	S666 N667	S666-T669 PolarHBondContact O-OG1 3.37Å; N667-T669 PolarHBondContact O-N 3.05Å; N667-T669 VanDerWaalsContact O-N 3.16Å
670	K	44.7	Very low	54.7	Low	171 Å²	171	109.3 Å²	109.3	74%	0.743	57%	0.573	S	S	*	*	S	Bend	trans	-84.7	-15.6	-177.4	-80.4	-175.5	178.7	173.8	0	115.3	N667	N667-K670 PolarHBondContact O-N 2.95Å
671	E	41	Very low	52.2	Low	179 Å²	179	116 Å²	116	84%	0.836	60%	0.604	S	S	*	*	S	Bend	trans	-109.6	-7.3	-177.1	-69.5	-171.9	165	0	0	115.1	Y673	E671-Y673 PolarHBondContact O-N 3.18Å
672	S	35.6	Very low	50.2	Low	102 Å²	102	119.5 Å²	119.5	71%	0.713	62%	0.623	S	S	*	*			trans	-102.5	87.6	177.8	-57	0	0	0	0	111
673	Y	35.5	Very low	48.3	Very low	203 Å²	203	123.5 Å²	123.5	80%	0.796	64%	0.644	S	S	*	*			trans	-60.8	133.4	160.7	-83.8	-95.6	0	0	0	110.1	E671	E671-Y673 PolarHBondContact O-N 3.18Å
674	N	38.9	Very low	47	Very low	139 Å²	139	123.6 Å²	123.6	74%	0.743	65%	0.65	S	S	*	*	S	Bend	trans	75.7	133.6	158.7	-56.4	-37	0	0	0	118.9
675	I	47	Very low	46.3	Very low	151 Å²	151	125.9 Å²	125.9	77%	0.774	65%	0.654	S	S	*	*	S	Bend	trans	101.2	107	161.4	-51.8	159.2	0	0	0	113.3
676	N	45.4	Very low	47.2	Very low	108 Å²	108	129.5 Å²	129.5	58%	0.578	67%	0.665	S	S	*	*			trans	97.3	72.1	169.3	-47.5	-30.1	0	0	0	116.5	D678	N676-D678 PolarHBondContact O-N 3.35Å
677	D	43.6	Very low	48.8	Very low	118 Å²	118	128.5 Å²	128.5	63%	0.631	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-6	166.5	-81.1	-41.4	0	0	0	114	K680	D677-K680 WeakPolarHBondContact OD1-CE 3.44Å; D677-K680 IonicContact OD1-NZ 3.44Å; D677-K680 PolarHBondContact OD1-NZ 2.69Å
678	D	48.9	Very low	50.9	Low	161 Å²	161	123.8 Å²	123.8	86%	0.861	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-7.2	-176.4	-67.2	-26.1	0	0	0	114.8	N676	N676-D678 PolarHBondContact O-N 3.35Å
679	I	48	Very low	52.9	Low	118 Å²	118	122.6 Å²	122.6	61%	0.605	62%	0.616	S	S	*	*	S	Bend	trans	-101.8	-8	178.5	-56.4	175.1	0	0	0	112	Q681	I679-Q681 PolarHBondContact O-N 2.98Å; I679-Q681 VanDerWaalsContact O-N 3.14Å
680	K	41.3	Very low	55.2	Low	137 Å²	137	124.1 Å²	124.1	60%	0.596	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-15.1	-174.2	-71.1	-179.2	178.5	168.9	0	114.8	D677	D677-K680 WeakPolarHBondContact OD1-CE 3.44Å; D677-K680 IonicContact OD1-NZ 3.44Å; D677-K680 PolarHBondContact OD1-NZ 2.69Å
681	Q	41.1	Very low	57.5	Low	171 Å²	171	122.8 Å²	122.8	80%	0.799	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-22.8	-175.7	-69.1	-167.4	11.2	0	0	114.3	I679	I679-Q681 PolarHBondContact O-N 2.98Å; I679-Q681 VanDerWaalsContact O-N 3.14Å
682	D	48.5	Very low	60	Low	136 Å²	136	118.6 Å²	118.6	73%	0.727	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-25.4	-174.4	-153.2	17.1	0	0	0	113.3	S684	D682-S684 VanDerWaalsContact C-N 3.33Å; D682-S684 PolarHBondContact O-N 3.15Å
683	E	47	Very low	62.7	Low	131 Å²	131	113.8 Å²	113.8	61%	0.612	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-72.2	-22.4	-178.4	-67.6	-151.9	154.1	0	0	114.1	H685 K686	E683-H685 PolarHBondContact O-N 3.43Å; E683-H685 VanDerWaalsContact O-N 3.1Å; E683-K686 WeakPolarHBondContact O-CB 3.42Å; E683-K686 PolarHBondContact O-N 3.01Å; E683-K686 VanDerWaalsContact O-N 3.13Å
684	S	52	Low	65.6	Low	83 Å²	83	104.7 Å²	104.7	58%	0.58	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-65.2	-18.2	-177.7	94.2	0	0	0	0	113.1	D682	D682-S684 VanDerWaalsContact C-N 3.33Å; D682-S684 PolarHBondContact O-N 3.15Å
685	H	56.3	Low	68.3	Low	144 Å²	144	102.6 Å²	102.6	67%	0.667	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-93.3	-0.3	-179.4	-68.3	83.9	0	0	0	113.5	E683	E683-H685 PolarHBondContact O-N 3.43Å; E683-H685 VanDerWaalsContact O-N 3.1Å
686	K	77.4	Confident	70.5	Confident	117 Å²	117	96.7 Å²	96.7	51%	0.509	48%	0.483	S	S	.	.	S	Bend	trans	-74	-32.5	-177.4	-171.5	173.7	176.8	-176.6	0	113.2	E683	E683-K686 WeakPolarHBondContact O-CB 3.42Å; E683-K686 PolarHBondContact O-N 3.01Å; E683-K686 VanDerWaalsContact O-N 3.13Å
687	Y	89.3	Confident	72.9	Confident	43 Å²	43	91.7 Å²	91.7	17%	0.169	46%	0.456	C	S	.	.	S	Bend	trans	-125.5	139.9	-176.1	-60.7	-86.2	0	0	0	111.9	V625 D626 L661 R662 T689	V625-Y687 CarbonylContact O-C 3.5Å; V625-Y687 VanDerWaalsContact O-CA 3.25Å; V625-Y687 WeakPolarHBondContact O-CA 3.28Å; D626-Y687 HydrophobicContact CB-CD1 3.86Å; D626-Y687 HydrophobicContact CB-CE1 3.56Å; L661-Y687 HydrophobicContact CB-CE1 3.98Å; R662-Y687 HydrophobicContact CB-CD1 4.13Å; R662-Y687 HydrophobicContact CB-CG 4.17Å; R662-Y687 HydrophobicContact CG-CG 4.11Å; Y687-T689 PolarHBondContact O-N 2.87Å
688	I	92.3	Very high	75.3	Confident	11 Å²	11	93.5 Å²	93.5	6%	0.056	46%	0.458	C	S	.	.			trans	-67.2	129.9	172.7	-57.4	-58.7	0	0	0	109.1	Y623 V625 P628 F631 R662 M692	Y623-I688 HydrophobicContact CE2-CB 4.2Å; Y623-I688 HydrophobicContact CE2-CG1 4.48Å; Y623-I688 HydrophobicContact CE2-CG2 3.93Å; V625-I688 PolarHBondContact O-N 3.1Å; P628-I688 HydrophobicContact CB-CD1 4.12Å; P628-I688 HydrophobicContact CG-CD1 4.45Å; F631-I688 HydrophobicContact CB-CD1 4.01Å; F631-I688 HydrophobicContact CB-CG1 3.87Å; F631-I688 HydrophobicContact CD1-CD1 3.75Å; F631-I688 HydrophobicContact CD1-CG1 4.3Å; F631-I688 HydrophobicContact CD1-CG2 4.37Å; F631-I688 HydrophobicContact CD2-CG2 3.94Å; F631-I688 HydrophobicContact CE1-CD1 4.43Å; F631-I688 HydrophobicContact CE1-CG2 4.42Å; F631-I688 HydrophobicContact CE2-CG2 4.04Å; F631-I688 HydrophobicContact CG-CD1 3.94Å; F631-I688 HydrophobicContact CG-CG1 3.98Å; F631-I688 HydrophobicContact CG-CG2 4.12Å; F631-I688 HydrophobicContact CZ-CG2 4.25Å; R662-I688 WeakPolarHBondContact CD-O 3.46Å; R662-I688 PolarHBondContact NH1-O 3Å; I688-M692 HydrophobicContact CG2-CB 3.95Å
689	T	91.7	Very high	77.4	Confident	58 Å²	58	91.9 Å²	91.9	36%	0.356	45%	0.449	S	S	.	.			trans	-82.7	158	177.8	69.1	0	0	0	0	111.6	Y687 E691 M692 G693	Y687-T689 PolarHBondContact O-N 2.87Å; T689-E691 PolarHBondContact O-N 3.4Å; T689-M692 PolarHBondContact O-N 3.32Å; T689-M692 WeakPolarHBondContact OG1-CG 3.49Å; T689-M692 PolarHBondContact OG1-N 3.46Å; T689-G693 PolarHBondContact O-N 2.85Å
690	Y	93.9	Very high	79.4	Confident	125 Å²	125	88.3 Å²	88.3	49%	0.49	43%	0.43	S	S	.	.	H	α-helix	trans	-55	-41.5	175.9	178.2	-86.1	0	0	0	111.9	M692 G693 A694 F704 E706	Y690-M692 VanDerWaalsContact C-N 3.34Å; Y690-M692 PolarHBondContact O-N 3.17Å; Y690-G693 PolarHBondContact O-N 3.46Å; Y690-A694 HydrophobicContact CD1-CB 4.42Å; Y690-A694 HydrophobicContact CE1-CB 4.12Å; Y690-A694 WeakPolarHBondContact O-CB 3.49Å; Y690-A694 PolarHBondContact O-N 2.81Å; Y690-F704 AromaticContact CD2-CE1 3.93Å; Y690-F704 HydrophobicContact CD2-CE1 3.93Å; Y690-F704 HydrophobicContact CE2-CD1 4.31Å; Y690-F704 AromaticContact CE2-CE1 3.73Å; Y690-F704 HydrophobicContact CE2-CE1 3.73Å; Y690-F704 HydrophobicContact CG-CE1 4.4Å; Y690-E706 VanDerWaalsContact CA-OE1 3.3Å; Y690-E706 WeakPolarHBondContact CA-OE1 3.5Å; Y690-E706 VanDerWaalsContact CD2-CD 3.48Å; Y690-E706 HydrophobicContact CD2-CG 3.9Å; Y690-E706 WeakPolarHBondContact CD2-OE2 3.46Å; Y690-E706 HydrophobicContact CE2-CG 4.37Å
691	E	93.1	Very high	81.8	Confident	144 Å²	144	90.7 Å²	90.7	67%	0.673	44%	0.443	S	S	*	.	H	α-helix	trans	-62.6	-40	-179.4	-62.3	-177.1	177.9	0	0	112.1	T689 A694 N695	T689-E691 PolarHBondContact O-N 3.4Å; E691-A694 PolarHBondContact O-N 2.72Å; E691-N695 VanDerWaalsContact O-CB 3.29Å; E691-N695 WeakPolarHBondContact O-CB 3.3Å; E691-N695 PolarHBondContact O-N 2.96Å; E691-N695 PolarHBondContact O-ND2 3.19Å; E691-N695 VanDerWaalsContact O-ND2 3.14Å
692	M	92.5	Very high	84.3	Confident	91 Å²	91	83.7 Å²	83.7	45%	0.448	41%	0.412	S	S	.	.	H	α-helix	trans	-62.5	-47.3	176.4	-69.2	172.1	111	0	0	111.2	F631 I688 T689 Y690 N695 V696	F631-M692 HydrophobicContact CE1-CB 4.42Å; F631-M692 HydrophobicContact CZ-CB 4.09Å; I688-M692 HydrophobicContact CG2-CB 3.95Å; T689-M692 PolarHBondContact O-N 3.32Å; T689-M692 WeakPolarHBondContact OG1-CG 3.49Å; T689-M692 PolarHBondContact OG1-N 3.46Å; Y690-M692 VanDerWaalsContact C-N 3.34Å; Y690-M692 PolarHBondContact O-N 3.17Å; M692-N695 PolarHBondContact O-N 3.05Å; M692-V696 PolarHBondContact O-N 3.03Å; M692-V696 VanDerWaalsContact O-N 3.16Å
693	G	94.1	Very high	86.6	Confident	0 Å²	0	80 Å²	80	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-59.2	-47.6	175.3	0	0	0	0	0	113	T689 Y690 N695 V696 A697	T689-G693 PolarHBondContact O-N 2.85Å; Y690-G693 PolarHBondContact O-N 3.46Å; G693-N695 VanDerWaalsContact C-N 3.32Å; G693-N695 PolarHBondContact O-N 3.08Å; G693-V696 PolarHBondContact O-N 3.18Å; G693-A697 PolarHBondContact O-N 3.49Å; G693-A697 VanDerWaalsContact O-N 3.07Å
694	A	95.5	Very high	89	Confident	13 Å²	13	75.2 Å²	75.2	11%	0.107	37%	0.374	C	S	.	.	H	α-helix	trans	-63.3	-36.6	178.3	0	0	0	0	0	112.5	Y690 E691 A697 K698 F704	Y690-A694 HydrophobicContact CD1-CB 4.42Å; Y690-A694 HydrophobicContact CE1-CB 4.12Å; Y690-A694 WeakPolarHBondContact O-CB 3.49Å; Y690-A694 PolarHBondContact O-N 2.81Å; E691-A694 PolarHBondContact O-N 2.72Å; A694-A697 PolarHBondContact O-N 3.23Å; A694-K698 WeakPolarHBondContact O-CB 3.4Å; A694-K698 VanDerWaalsContact O-CG 3.3Å; A694-K698 WeakPolarHBondContact O-CG 3.44Å; A694-K698 PolarHBondContact O-N 3.49Å; A694-F704 HydrophobicContact CB-CD1 3.88Å; A694-F704 HydrophobicContact CB-CE1 4Å
695	N	95.1	Very high	91.2	Very high	94 Å²	94	72.1 Å²	72.1	50%	0.503	35%	0.351	S	S	.	.	H	α-helix	trans	-66.7	-41.7	177.6	-73.6	-22	0	0	0	112	E691 M692 G693 A697 K698 L699	E691-N695 VanDerWaalsContact O-CB 3.29Å; E691-N695 WeakPolarHBondContact O-CB 3.3Å; E691-N695 PolarHBondContact O-N 2.96Å; E691-N695 PolarHBondContact O-ND2 3.19Å; E691-N695 VanDerWaalsContact O-ND2 3.14Å; M692-N695 PolarHBondContact O-N 3.05Å; G693-N695 VanDerWaalsContact C-N 3.32Å; G693-N695 PolarHBondContact O-N 3.08Å; N695-A697 VanDerWaalsContact C-N 3.34Å; N695-K698 PolarHBondContact O-N 3.37Å; N695-L699 WeakPolarHBondContact O-CB 3.33Å; N695-L699 PolarHBondContact O-N 3.46Å
696	V	94	Very high	93.2	Very high	28 Å²	28	66 Å²	66	17%	0.17	32%	0.323	C	S	.	.	H	α-helix	trans	-64.8	-39.9	175.4	171.2	0	0	0	0	111.2	F631 I634 L654 M692 G693 L699 H700	F631-V696 HydrophobicContact CE1-CG2 4.18Å; F631-V696 HydrophobicContact CE2-CB 4.36Å; F631-V696 HydrophobicContact CE2-CG2 4Å; F631-V696 HydrophobicContact CZ-CB 4.21Å; F631-V696 HydrophobicContact CZ-CG2 3.4Å; F631-V696 VanDerWaalsContact CZ-CG2 3.4Å; I634-V696 HydrophobicContact CG2-CG1 3.96Å; L654-V696 HydrophobicContact CD2-CG1 4.2Å; M692-V696 PolarHBondContact O-N 3.03Å; M692-V696 VanDerWaalsContact O-N 3.16Å; G693-V696 PolarHBondContact O-N 3.18Å; V696-L699 WeakPolarHBondContact O-CB 3.2Å; V696-L699 PolarHBondContact O-N 3.17Å; V696-H700 PolarHBondContact O-CD2 3.31Å; V696-H700 VanDerWaalsContact O-CD2 3.29Å; V696-H700 PolarHBondContact O-N 2.66Å
697	A	95.2	Very high	94.1	Very high	3 Å²	3	60.5 Å²	60.5	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-65	-44.8	176.6	0	0	0	0	0	112.9	L654 G693 A694 N695 L699 H700 Q701 V702 F704	L654-A697 HydrophobicContact CD2-CB 4.11Å; G693-A697 PolarHBondContact O-N 3.49Å; G693-A697 VanDerWaalsContact O-N 3.07Å; A694-A697 PolarHBondContact O-N 3.23Å; N695-A697 VanDerWaalsContact C-N 3.34Å; A697-L699 VanDerWaalsContact C-N 3.32Å; A697-L699 PolarHBondContact O-N 3.22Å; A697-H700 CarbonylContact O-C 3.56Å; A697-H700 PolarHBondContact O-N 2.99Å; A697-Q701 PolarHBondContact O-N 3.01Å; A697-V702 HydrophobicContact CB-CG2 4.02Å; A697-V702 PolarHBondContact O-N 2.89Å; A697-F704 HydrophobicContact CB-CB 3.43Å; A697-F704 VanDerWaalsContact CB-CB 3.43Å; A697-F704 HydrophobicContact CB-CD2 4.47Å; A697-F704 HydrophobicContact CB-CG 4.07Å
698	K	94.3	Very high	94.5	Very high	155 Å²	155	58.5 Å²	58.5	67%	0.674	29%	0.291	S	S	*	.	H	α-helix	trans	-59	-43	173.4	-75	173	-176	174.1	0	111.6	A694 N695 H700 Q701	A694-K698 WeakPolarHBondContact O-CB 3.4Å; A694-K698 VanDerWaalsContact O-CG 3.3Å; A694-K698 WeakPolarHBondContact O-CG 3.44Å; A694-K698 PolarHBondContact O-N 3.49Å; N695-K698 PolarHBondContact O-N 3.37Å; K698-H700 VanDerWaalsContact C-N 3.3Å; K698-H700 PolarHBondContact O-N 3.01Å; K698-Q701 PolarHBondContact O-N 3.32Å
699	L	93.3	Very high	94.6	Very high	127 Å²	127	58.1 Å²	58.1	67%	0.665	29%	0.289	S	S	*	.	H	α-helix	trans	-59.9	-40.5	178	179.8	65.9	0	0	0	112	N695 V696 A697	N695-L699 WeakPolarHBondContact O-CB 3.33Å; N695-L699 PolarHBondContact O-N 3.46Å; V696-L699 WeakPolarHBondContact O-CB 3.2Å; V696-L699 PolarHBondContact O-N 3.17Å; A697-L699 VanDerWaalsContact C-N 3.32Å; A697-L699 PolarHBondContact O-N 3.22Å
700	H	90.4	Very high	94.7	Very high	43 Å²	43	59.4 Å²	59.4	20%	0.199	29%	0.293	C	S	.	.	H	α-helix	trans	-90.8	-1.4	179.5	-69.5	-60	0	0	0	114.5	M638 V696 A697 K698 V702	M638-H700 HydrophobicContact CE-CB 4.03Å; M638-H700 HydrophobicContact SD-CB 4.45Å; V696-H700 PolarHBondContact O-CD2 3.31Å; V696-H700 VanDerWaalsContact O-CD2 3.29Å; V696-H700 PolarHBondContact O-N 2.66Å; A697-H700 CarbonylContact O-C 3.56Å; A697-H700 PolarHBondContact O-N 2.99Å; K698-H700 VanDerWaalsContact C-N 3.3Å; K698-H700 PolarHBondContact O-N 3.01Å; H700-V702 VanDerWaalsContact C-N 3.28Å; H700-V702 HydrophobicContact CB-CG1 4.17Å; H700-V702 HydrophobicContact CB-CG2 4.15Å; H700-V702 PolarHBondContact O-N 3.43Å
701	Q	91.2	Very high	94.7	Very high	187 Å²	187	57.1 Å²	57.1	87%	0.874	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	40.7	-175.4	-55.9	177.2	16.3	0	0	113	A697 K698	A697-Q701 PolarHBondContact O-N 3.01Å; K698-Q701 PolarHBondContact O-N 3.32Å
702	V	94	Very high	94.6	Very high	25 Å²	25	56 Å²	56	15%	0.152	29%	0.289	C	S	.	.			trans	-112.7	158.1	178.7	-60.5	0	0	0	0	110.6	M638 I652 L654 A697 H700	M638-V702 HydrophobicContact CE-CG1 4.07Å; M638-V702 HydrophobicContact CE-CG2 4.24Å; M638-V702 HydrophobicContact SD-CG1 4.32Å; I652-V702 HydrophobicContact CB-CB 4.24Å; I652-V702 HydrophobicContact CB-CG1 3.78Å; I652-V702 HydrophobicContact CD1-CG1 4.3Å; I652-V702 HydrophobicContact CG2-CB 4.48Å; I652-V702 HydrophobicContact CG2-CG1 4.17Å; L654-V702 HydrophobicContact CB-CG2 4.18Å; A697-V702 HydrophobicContact CB-CG2 4.02Å; A697-V702 PolarHBondContact O-N 2.89Å; H700-V702 VanDerWaalsContact C-N 3.28Å; H700-V702 HydrophobicContact CB-CG1 4.17Å; H700-V702 HydrophobicContact CB-CG2 4.15Å; H700-V702 PolarHBondContact O-N 3.43Å
703	S	96.1	Very high	94.7	Very high	58 Å²	58	56 Å²	56	41%	0.406	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	149.6	174.3	-68.7	0	0	0	0	111	I652 L654 L721	I652-S703 PolarHBondContact O-N 3.06Å; L654-S703 PolarHBondContact N-O 3.47Å; S703-L721 VanDerWaalsContact CB-CD2 3.41Å
704	F	97.8	Very high	94.8	Very high	31 Å²	31	57.3 Å²	57.3	14%	0.136	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	137	179	177.3	-115.7	0	0	0	112.4	Y623 L654 Y690 A694 A697 E706	Y623-F704 HydrophobicContact CE1-CE2 4.11Å; L654-F704 HydrophobicContact CB-CD2 4.14Å; L654-F704 HydrophobicContact CD2-CD2 3.98Å; L654-F704 HydrophobicContact CD2-CE2 4.45Å; L654-F704 HydrophobicContact CG-CD2 3.96Å; L654-F704 HydrophobicContact CG-CE2 4.45Å; L654-F704 WeakPolarHBondContact O-CA 3.41Å; L654-F704 WeakPolarHBondContact O-CD2 3.42Å; Y690-F704 AromaticContact CD2-CE1 3.93Å; Y690-F704 HydrophobicContact CD2-CE1 3.93Å; Y690-F704 HydrophobicContact CE2-CD1 4.31Å; Y690-F704 AromaticContact CE2-CE1 3.73Å; Y690-F704 HydrophobicContact CE2-CE1 3.73Å; Y690-F704 HydrophobicContact CG-CE1 4.4Å; A694-F704 HydrophobicContact CB-CD1 3.88Å; A694-F704 HydrophobicContact CB-CE1 4Å; A697-F704 HydrophobicContact CB-CB 3.43Å; A697-F704 VanDerWaalsContact CB-CB 3.43Å; A697-F704 HydrophobicContact CB-CD2 4.47Å; A697-F704 HydrophobicContact CB-CG 4.07Å; F704-E706 HydrophobicContact CE1-CG 4.13Å; F704-E706 HydrophobicContact CE2-CG 4.34Å; F704-E706 HydrophobicContact CZ-CG 3.59Å
705	I	97.9	Very high	94.8	Very high	17 Å²	17	57 Å²	57	9%	0.087	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	149	171.4	-164.5	165.8	0	0	0	109.8	L653 L654 V655 G656 T707 N714 E717 A718	L653-I705 HydrophobicContact CD1-CG2 3.95Å; L653-I705 HydrophobicContact CD2-CG2 4.19Å; L653-I705 HydrophobicContact CG-CG2 4.32Å; L654-I705 PolarHBondContact O-N 2.92Å; L654-I705 VanDerWaalsContact O-N 3.07Å; V655-I705 VanDerWaalsContact CA-O 3.29Å; V655-I705 WeakPolarHBondContact CA-O 3.49Å; V655-I705 HydrophobicContact CG2-CG2 4.06Å; G656-I705 PolarHBondContact N-O 3.46Å; I705-T707 HydrophobicContact CG2-CG2 4.26Å; I705-N714 HydrophobicContact CD1-CB 3.85Å; I705-N714 HydrophobicContact CG1-CB 4.07Å; I705-E717 HydrophobicContact CD1-CB 3.94Å; I705-A718 HydrophobicContact CD1-CB 4.31Å; I705-A718 HydrophobicContact CG2-CB 3.72Å
706	E	97.4	Very high	94.8	Very high	17 Å²	17	56.3 Å²	56.3	8%	0.079	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	142.9	170.1	-76.8	-168.8	159.3	0	0	110.4	G656 V659 R662 Y690 F704 N714	G656-E706 CarbonylContact O-C 3.57Å; G656-E706 VanDerWaalsContact O-CA 3.25Å; G656-E706 WeakPolarHBondContact O-CA 3.43Å; V659-E706 HydrophobicContact CG1-CB 3.77Å; V659-E706 HydrophobicContact CG1-CG 4.12Å; R662-E706 IonicContact CZ-OE1 4Å; R662-E706 IonicContact CZ-OE2 3.46Å; R662-E706 IonicContact NH1-OE1 2.85Å; R662-E706 PolarHBondContact NH1-OE1 3.34Å; R662-E706 IonicContact NH1-OE2 2.74Å; R662-E706 VanDerWaalsContact NH2-CD 3.28Å; R662-E706 IonicContact NH2-OE1 3.3Å; R662-E706 PolarHBondContact NH2-OE1 3.48Å; R662-E706 IonicContact NH2-OE2 3.85Å; R662-E706 PolarHBondContact NH2-OE2 3.48Å; Y690-E706 VanDerWaalsContact CA-OE1 3.3Å; Y690-E706 WeakPolarHBondContact CA-OE1 3.5Å; Y690-E706 VanDerWaalsContact CD2-CD 3.48Å; Y690-E706 HydrophobicContact CD2-CG 3.9Å; Y690-E706 WeakPolarHBondContact CD2-OE2 3.46Å; Y690-E706 HydrophobicContact CE2-CG 4.37Å; F704-E706 HydrophobicContact CE1-CG 4.13Å; F704-E706 HydrophobicContact CE2-CG 4.34Å; F704-E706 HydrophobicContact CZ-CG 3.59Å; E706-N714 WeakPolarHBondContact O-CB 3.42Å; E706-N714 PolarHBondContact O-ND2 3.22Å
707	T	97.6	Very high	94.8	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.305	C	S	.	.			trans	-134.7	152.4	-175.5	60.3	0	0	0	0	111.4	F559 V655 G656 N657 K658 V659 I705 H713 N714 A718	F559-T707 HydrophobicContact CE2-CG2 4.35Å; V655-T707 HydrophobicContact CG1-CG2 3.71Å; V655-T707 WeakPolarHBondContact CG1-OG1 3.39Å; G656-T707 PolarHBondContact O-N 3.13Å; N657-T707 CarbonylContact C-O 3.49Å; N657-T707 WeakPolarHBondContact CA-O 3.46Å; N657-T707 PolarHBondContact OD1-O 3.39Å; N657-T707 PolarHBondContact OD1-OG1 3.44Å; K658-T707 PolarHBondContact N-O 3.03Å; V659-T707 WeakPolarHBondContact CG2-O 3.38Å; V659-T707 PolarHBondContact N-O 2.86Å; I705-T707 HydrophobicContact CG2-CG2 4.26Å; T707-H713 WeakPolarHBondContact CA-O 3.32Å; T707-N714 HydrophobicContact CG2-CB 3.97Å; T707-A718 HydrophobicContact CG2-CB 4.19Å
708	S	96.3	Very high	94.9	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.007	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-124.3	105.1	162.1	173.3	0	0	0	0	108.3	D660 L710 S711 K712 H713	D660-S708 VanDerWaalsContact CG-OG 3.26Å; D660-S708 VanDerWaalsContact OD1-CB 3.32Å; D660-S708 WeakPolarHBondContact OD1-CB 3.38Å; D660-S708 PolarHBondContact OD1-OG 3.41Å; S708-L710 PolarHBondContact O-N 3.49Å; S708-S711 WeakPolarHBondContact CB-OG 3.24Å; S708-S711 PolarHBondContact O-N 3.01Å; S708-S711 PolarHBondContact OG-N 3.35Å; S708-S711 PolarHBondContact OG-OG 3.35Å; S708-S711 VanDerWaalsContact OG-OG 3.1Å; S708-K712 CarbonylContact O-C 3.5Å; S708-K712 WeakPolarHBondContact O-CA 3.47Å; S708-K712 PolarHBondContact O-N 3.09Å; S708-H713 PolarHBondContact N-O 3.49Å; S708-H713 PolarHBondContact O-N 3.01Å
709	V	95.4	Very high	95	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.018	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-34.5	175.5	178	0	0	0	0	111.6	S558 F559 R562 F568 N657 I715	S558-V709 WeakPolarHBondContact O-CG1 3.46Å; F559-V709 HydrophobicContact CB-CG2 3.82Å; F559-V709 HydrophobicContact CD2-CG2 3.84Å; F559-V709 HydrophobicContact CG-CG2 4.31Å; R562-V709 HydrophobicContact CB-CG1 3.73Å; R562-V709 HydrophobicContact CG-CG1 4.17Å; R562-V709 PolarHBondContact NE-O 3.23Å; F568-V709 HydrophobicContact CD2-CG1 3.82Å; F568-V709 HydrophobicContact CE2-CG1 4.24Å; N657-V709 WeakPolarHBondContact OD1-CG2 3.4Å; N657-V709 PolarHBondContact OD1-N 2.98Å; V709-I715 HydrophobicContact CG2-CD1 4.49Å
710	L	93.8	Very high	95.1	Very high	85 Å²	85	50.1 Å²	50.1	45%	0.445	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-57.5	176.8	177.8	64.1	0	0	0	110.8	R562 F568 D660 S708 K712	R562-L710 PolarHBondContact NH2-O 3.24Å; F568-L710 HydrophobicContact CD1-CD1 3.75Å; F568-L710 HydrophobicContact CE1-CD1 3.4Å; F568-L710 HydrophobicContact CZ-CB 4.43Å; F568-L710 HydrophobicContact CZ-CD1 3.96Å; D660-L710 HydrophobicContact CB-CD2 4.5Å; D660-L710 WeakPolarHBondContact OD2-CD2 3.43Å; S708-L710 PolarHBondContact O-N 3.49Å; L710-K712 VanDerWaalsContact C-N 3.32Å; L710-K712 PolarHBondContact O-N 3.41Å
711	S	92.9	Very high	95.3	Very high	77 Å²	77	51.3 Å²	51.3	54%	0.538	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-0.6	-175.4	71.9	0	0	0	0	114.7	S708 H713	S708-S711 WeakPolarHBondContact CB-OG 3.24Å; S708-S711 PolarHBondContact O-N 3.01Å; S708-S711 PolarHBondContact OG-N 3.35Å; S708-S711 PolarHBondContact OG-OG 3.35Å; S708-S711 VanDerWaalsContact OG-OG 3.1Å; S711-H713 PolarHBondContact O-N 2.93Å; S711-H713 WeakPolarHBondContact OG-CB 3.4Å
712	K	92.3	Very high	95.5	Very high	122 Å²	122	42.6 Å²	42.6	53%	0.53	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	8.6	-173.4	-54.9	-179.4	177.3	179.7	0	115.1	R562 S708 L710 N714 I715	R562-K712 HydrophobicContact CG-CG 4.44Å; R562-K712 VanDerWaalsContact NH1-CE 3.31Å; S708-K712 CarbonylContact O-C 3.5Å; S708-K712 WeakPolarHBondContact O-CA 3.47Å; S708-K712 PolarHBondContact O-N 3.09Å; L710-K712 VanDerWaalsContact C-N 3.32Å; L710-K712 PolarHBondContact O-N 3.41Å; K712-N714 PolarHBondContact O-N 3.36Å; K712-I715 HydrophobicContact CB-CD1 4.45Å
713	H	94.7	Very high	95.6	Very high	90 Å²	90	41.5 Å²	41.5	42%	0.417	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-67	128.7	-177.7	-175.2	59.6	0	0	0	112.2	T707 S708 S711 I715	T707-H713 WeakPolarHBondContact CA-O 3.32Å; S708-H713 PolarHBondContact N-O 3.49Å; S708-H713 PolarHBondContact O-N 3.01Å; S711-H713 PolarHBondContact O-N 2.93Å; S711-H713 WeakPolarHBondContact OG-CB 3.4Å; H713-I715 PolarHBondContact O-N 3.4Å
714	N	95.7	Very high	95.4	Very high	27 Å²	27	44.4 Å²	44.4	14%	0.144	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	15.7	174.6	-63.6	-3	0	0	0	116.9	I705 E706 T707 K712 E717 A718	I705-N714 HydrophobicContact CD1-CB 3.85Å; I705-N714 HydrophobicContact CG1-CB 4.07Å; E706-N714 WeakPolarHBondContact O-CB 3.42Å; E706-N714 PolarHBondContact O-ND2 3.22Å; T707-N714 HydrophobicContact CG2-CB 3.97Å; K712-N714 PolarHBondContact O-N 3.36Å; N714-E717 PolarHBondContact OD1-OE2 3.24Å; N714-A718 WeakPolarHBondContact O-CB 3.45Å; N714-A718 PolarHBondContact O-N 2.96Å
715	I	95.5	Very high	95.2	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-71.3	-46.6	-178.1	-57.7	178	0	0	0	111.3	F559 R562 F563 V709 K712 H713 I719	F559-I715 HydrophobicContact CD2-CG2 4.25Å; F559-I715 HydrophobicContact CE2-CB 4.31Å; F559-I715 HydrophobicContact CE2-CG1 4.4Å; F559-I715 HydrophobicContact CE2-CG2 3.81Å; F559-I715 HydrophobicContact CZ-CG2 4.01Å; R562-I715 HydrophobicContact CB-CD1 4.05Å; R562-I715 HydrophobicContact CG-CD1 3.19Å; F563-I715 HydrophobicContact CB-CG2 3.88Å; F563-I715 HydrophobicContact CD2-CG2 4.26Å; V709-I715 HydrophobicContact CG2-CD1 4.49Å; K712-I715 HydrophobicContact CB-CD1 4.45Å; H713-I715 PolarHBondContact O-N 3.4Å; I715-I719 PolarHBondContact O-N 3.04Å
716	T	94.3	Very high	94.9	Very high	80 Å²	80	43.3 Å²	43.3	49%	0.491	23%	0.225	S	C	.	.	H	α-helix	trans	-67.2	-47.4	177.9	47.5	0	0	0	0	110.6	A718 I719 E720	T716-A718 VanDerWaalsContact C-N 3.27Å; T716-A718 PolarHBondContact O-N 3.32Å; T716-I719 PolarHBondContact O-N 2.96Å; T716-I719 VanDerWaalsContact O-N 3.12Å; T716-E720 WeakPolarHBondContact O-CB 3.47Å; T716-E720 WeakPolarHBondContact O-CG 3.28Å; T716-E720 PolarHBondContact O-N 3.49Å
717	E	95.8	Very high	94.6	Very high	102 Å²	102	45.1 Å²	45.1	48%	0.477	23%	0.233	S	C	.	.	H	α-helix	trans	-56.7	-39.4	177.1	-63.3	179.1	-165.1	0	0	112.1	I705 N714 E720 L721	I705-E717 HydrophobicContact CD1-CB 3.94Å; N714-E717 PolarHBondContact OD1-OE2 3.24Å; E717-E720 PolarHBondContact O-N 3.02Å; E717-L721 WeakPolarHBondContact O-CB 3.47Å; E717-L721 PolarHBondContact O-N 3.48Å
718	A	96.7	Very high	94.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-48.3	175.9	0	0	0	0	0	112.1	F559 L653 I705 T707 N714 T716 L722	F559-A718 HydrophobicContact CE2-CB 4.39Å; F559-A718 HydrophobicContact CZ-CB 4.17Å; L653-A718 HydrophobicContact CD2-CB 3.94Å; L653-A718 WeakPolarHBondContact CD2-O 3.1Å; I705-A718 HydrophobicContact CD1-CB 4.31Å; I705-A718 HydrophobicContact CG2-CB 3.72Å; T707-A718 HydrophobicContact CG2-CB 4.19Å; N714-A718 WeakPolarHBondContact O-CB 3.45Å; N714-A718 PolarHBondContact O-N 2.96Å; T716-A718 VanDerWaalsContact C-N 3.27Å; T716-A718 PolarHBondContact O-N 3.32Å; A718-L722 PolarHBondContact O-N 3.48Å; A718-L722 VanDerWaalsContact O-N 3.1Å
719	I	96.2	Very high	93.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-70.1	-38.2	179.4	-66.8	-59.3	0	0	0	111.6	F559 F563 I585 I594 L596 I715 T716 L722 T723	F559-I719 HydrophobicContact CE1-CD1 3.83Å; F559-I719 HydrophobicContact CE1-CG1 4.1Å; F559-I719 HydrophobicContact CZ-CD1 4.12Å; F559-I719 HydrophobicContact CZ-CG1 4.07Å; F563-I719 HydrophobicContact CD1-CG1 4.36Å; F563-I719 HydrophobicContact CD2-CB 4.31Å; F563-I719 HydrophobicContact CD2-CG1 3.79Å; F563-I719 HydrophobicContact CE1-CG1 4.26Å; F563-I719 HydrophobicContact CE1-CG2 4.25Å; F563-I719 HydrophobicContact CE2-CB 3.76Å; F563-I719 HydrophobicContact CE2-CG1 3.7Å; F563-I719 HydrophobicContact CE2-CG2 3.85Å; F563-I719 HydrophobicContact CG-CG1 4.12Å; F563-I719 HydrophobicContact CZ-CB 3.98Å; F563-I719 HydrophobicContact CZ-CG1 3.94Å; F563-I719 HydrophobicContact CZ-CG2 3.55Å; I585-I719 HydrophobicContact CD1-CG2 3.98Å; I594-I719 HydrophobicContact CG1-CG2 4.05Å; I594-I719 HydrophobicContact CG2-CG2 4.31Å; L596-I719 HydrophobicContact CD2-CD1 4.17Å; I715-I719 PolarHBondContact O-N 3.04Å; T716-I719 PolarHBondContact O-N 2.96Å; T716-I719 VanDerWaalsContact O-N 3.12Å; I719-L722 PolarHBondContact O-N 3.21Å; I719-T723 VanDerWaalsContact O-CB 3.32Å; I719-T723 WeakPolarHBondContact O-CB 3.27Å; I719-T723 PolarHBondContact O-N 2.94Å; I719-T723 PolarHBondContact O-OG1 2.98Å
720	E	94.9	Very high	93.3	Very high	80 Å²	80	53.6 Å²	53.6	37%	0.374	28%	0.276	S	S	.	.	H	α-helix	trans	-60.5	-46.7	175.9	-74.2	174.5	178.9	0	0	111.2	M587 T716 E717 L722 T723 E724	M587-E720 HydrophobicContact CE-CB 3.6Å; M587-E720 HydrophobicContact CE-CG 3.95Å; M587-E720 WeakPolarHBondContact CE-O 3.32Å; M587-E720 HydrophobicContact CG-CG 4.17Å; M587-E720 HydrophobicContact SD-CB 3.93Å; M587-E720 HydrophobicContact SD-CG 3.84Å; T716-E720 WeakPolarHBondContact O-CB 3.47Å; T716-E720 WeakPolarHBondContact O-CG 3.28Å; T716-E720 PolarHBondContact O-N 3.49Å; E717-E720 PolarHBondContact O-N 3.02Å; E720-L722 VanDerWaalsContact C-N 3.34Å; E720-L722 PolarHBondContact O-N 3.03Å; E720-T723 WeakPolarHBondContact O-CB 3.36Å; E720-T723 PolarHBondContact O-N 3.46Å; E720-T723 VanDerWaalsContact O-N 3.12Å; E720-E724 PolarHBondContact O-N 3.42Å
721	L	95.3	Very high	93	Very high	68 Å²	68	52.3 Å²	52.3	36%	0.356	27%	0.269	S	S	.	.	H	α-helix	trans	-63	-38.7	178	-171.9	139.1	0	0	0	112.5	L653 S703 E717 G725	L653-L721 HydrophobicContact CD1-CD2 3.65Å; S703-L721 VanDerWaalsContact CB-CD2 3.41Å; E717-L721 WeakPolarHBondContact O-CB 3.47Å; E717-L721 PolarHBondContact O-N 3.48Å; L721-G725 PolarHBondContact O-N 3.19Å
722	L	95.9	Very high	92.5	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-67.2	-41.2	172.8	-176.6	64.2	0	0	0	111.7	V546 V620 P651 L653 A718 I719 E720 E724 G725 M726	V546-L722 HydrophobicContact CB-CD2 4.39Å; V546-L722 HydrophobicContact CG1-CD2 3.58Å; V546-L722 HydrophobicContact CG2-CD2 3.84Å; V620-L722 HydrophobicContact CG2-CD2 3.61Å; P651-L722 HydrophobicContact CB-CD1 4.12Å; L653-L722 HydrophobicContact CB-CD1 4.07Å; L653-L722 HydrophobicContact CD2-CB 4.25Å; A718-L722 PolarHBondContact O-N 3.48Å; A718-L722 VanDerWaalsContact O-N 3.1Å; I719-L722 PolarHBondContact O-N 3.21Å; E720-L722 VanDerWaalsContact C-N 3.34Å; E720-L722 PolarHBondContact O-N 3.03Å; L722-E724 VanDerWaalsContact C-N 3.33Å; L722-E724 PolarHBondContact O-N 3.46Å; L722-G725 PolarHBondContact O-N 2.82Å; L722-G725 VanDerWaalsContact O-N 3.12Å; L722-M726 HydrophobicContact CD2-CE 4.41Å; L722-M726 HydrophobicContact CG-CE 4.04Å; L722-M726 HydrophobicContact CG-CG 4.41Å; L722-M726 HydrophobicContact CG-SD 4.29Å; L722-M726 WeakPolarHBondContact O-CG 3.49Å; L722-M726 PolarHBondContact O-N 3.22Å
723	T	94.6	Very high	91.6	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-63.5	-38.8	-178.8	-58	0	0	0	0	111.8	F544 I585 M587 Y592 I594 I719 E720 G725 M726 K727	F544-T723 HydrophobicContact CD2-CG2 4.02Å; F544-T723 HydrophobicContact CE2-CG2 3.89Å; I585-T723 HydrophobicContact CD1-CG2 4.13Å; M587-T723 HydrophobicContact SD-CG2 3.69Å; Y592-T723 HydrophobicContact CD1-CG2 4.44Å; Y592-T723 HydrophobicContact CD2-CG2 4.13Å; Y592-T723 HydrophobicContact CG-CG2 4.03Å; I594-T723 HydrophobicContact CD1-CG2 4.22Å; I594-T723 WeakPolarHBondContact CD1-OG1 3.46Å; I719-T723 VanDerWaalsContact O-CB 3.32Å; I719-T723 WeakPolarHBondContact O-CB 3.27Å; I719-T723 PolarHBondContact O-N 2.94Å; I719-T723 PolarHBondContact O-OG1 2.98Å; E720-T723 WeakPolarHBondContact O-CB 3.36Å; E720-T723 PolarHBondContact O-N 3.46Å; E720-T723 VanDerWaalsContact O-N 3.12Å; T723-G725 VanDerWaalsContact C-N 3.33Å; T723-G725 PolarHBondContact O-N 3.3Å; T723-M726 PolarHBondContact O-N 2.91Å; T723-K727 VanDerWaalsContact O-CB 3.32Å; T723-K727 WeakPolarHBondContact O-CB 3.27Å; T723-K727 PolarHBondContact O-N 3.47Å
724	E	92.9	Very high	90.5	Very high	120 Å²	120	53.8 Å²	53.8	56%	0.561	27%	0.273	S	S	*	.	H	α-helix	trans	-59.5	-44.1	172.3	-171.6	177.9	-171.6	0	0	111.6	E720 L722 K727 L728	E720-E724 PolarHBondContact O-N 3.42Å; L722-E724 VanDerWaalsContact C-N 3.33Å; L722-E724 PolarHBondContact O-N 3.46Å; E724-K727 PolarHBondContact O-N 2.92Å; E724-L728 WeakPolarHBondContact O-CG 3.5Å; E724-L728 PolarHBondContact O-N 3.47Å
725	G	92.1	Very high	89	Confident	20 Å²	20	54.8 Å²	54.8	21%	0.206	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-44.3	175.4	0	0	0	0	0	113.3	L721 L722 T723 L728 N729	L721-G725 PolarHBondContact O-N 3.19Å; L722-G725 PolarHBondContact O-N 2.82Å; L722-G725 VanDerWaalsContact O-N 3.12Å; T723-G725 VanDerWaalsContact C-N 3.33Å; T723-G725 PolarHBondContact O-N 3.3Å; G725-L728 PolarHBondContact O-N 2.88Å; G725-N729 PolarHBondContact O-N 3.3Å; G725-N729 VanDerWaalsContact O-N 3.16Å
726	M	93.1	Very high	87.3	Confident	4 Å²	4	59 Å²	59	2%	0.02	31%	0.31	C	S	.	.	H	α-helix	trans	-65.4	-43.7	178.8	-65	-172.9	-68.4	0	0	111.6	F544 V546 I594 D617 P651 L722 T723 L728 N729 E730	F544-M726 HydrophobicContact CB-CE 3.58Å; F544-M726 HydrophobicContact CB-SD 3.77Å; F544-M726 HydrophobicContact CD1-CB 3.92Å; F544-M726 HydrophobicContact CD1-SD 4.36Å; F544-M726 HydrophobicContact CD2-CB 4.32Å; F544-M726 HydrophobicContact CD2-CE 3.88Å; F544-M726 HydrophobicContact CE1-CB 3.92Å; F544-M726 HydrophobicContact CE2-CB 4.29Å; F544-M726 HydrophobicContact CG-CB 4.14Å; F544-M726 HydrophobicContact CG-CE 3.8Å; F544-M726 HydrophobicContact CG-SD 4.04Å; F544-M726 HydrophobicContact CZ-CB 4.11Å; V546-M726 HydrophobicContact CG2-CE 3.64Å; V546-M726 HydrophobicContact CG2-SD 3.61Å; I594-M726 HydrophobicContact CD1-CE 4.21Å; D617-M726 VanDerWaalsContact C-SD 3.59Å; D617-M726 HydrophobicContact CB-CG 4.37Å; D617-M726 HydrophobicContact CB-SD 3.79Å; D617-M726 WeakPolarHBondContact O-CG 3.5Å; P651-M726 HydrophobicContact CG-CG 4.25Å; L722-M726 HydrophobicContact CD2-CE 4.41Å; L722-M726 HydrophobicContact CG-CE 4.04Å; L722-M726 HydrophobicContact CG-CG 4.41Å; L722-M726 HydrophobicContact CG-SD 4.29Å; L722-M726 WeakPolarHBondContact O-CG 3.49Å; L722-M726 PolarHBondContact O-N 3.22Å; T723-M726 PolarHBondContact O-N 2.91Å; M726-L728 PolarHBondContact O-N 3.08Å; M726-N729 PolarHBondContact O-N 3.39Å; M726-N729 VanDerWaalsContact O-N 3.16Å; M726-E730 PolarHBondContact O-N 3.43Å
727	K	90.6	Very high	85.5	Confident	56 Å²	56	59.3 Å²	59.3	24%	0.243	31%	0.312	C	S	.	.	H	α-helix	trans	-56.7	-48.5	174.8	179.9	-169.6	178.4	172.4	0	111.7	F544 Y592 T723 E724 N729 E730 D731	F544-K727 HydrophobicContact CZ-CB 4.34Å; Y592-K727 WeakPolarHBondContact OH-CD 3.27Å; Y592-K727 WeakPolarHBondContact OH-CE 3.42Å; Y592-K727 PolarHBondContact OH-NZ 3.49Å; T723-K727 VanDerWaalsContact O-CB 3.32Å; T723-K727 WeakPolarHBondContact O-CB 3.27Å; T723-K727 PolarHBondContact O-N 3.47Å; E724-K727 PolarHBondContact O-N 2.92Å; K727-N729 PolarHBondContact O-N 3.11Å; K727-E730 PolarHBondContact O-N 3.36Å; K727-D731 WeakPolarHBondContact O-CB 3.37Å; K727-D731 VanDerWaalsContact O-CG 3.23Å; K727-D731 PolarHBondContact O-N 3.32Å
728	L	89.6	Confident	83.4	Confident	90 Å²	90	58.2 Å²	58.2	47%	0.471	31%	0.313	S	S	.	.	H	α-helix	trans	-60.1	-36.2	178.6	-74.4	172	0	0	0	112.2	E724 G725 M726 K732	E724-L728 WeakPolarHBondContact O-CG 3.5Å; E724-L728 PolarHBondContact O-N 3.47Å; G725-L728 PolarHBondContact O-N 2.88Å; M726-L728 PolarHBondContact O-N 3.08Å; L728-K732 VanDerWaalsContact O-CG 3.23Å; L728-K732 WeakPolarHBondContact O-CG 3.49Å; L728-K732 PolarHBondContact O-N 3.4Å; L728-K732 VanDerWaalsContact O-N 3.13Å
729	N	88.4	Confident	81.1	Confident	28 Å²	28	64 Å²	64	15%	0.15	34%	0.343	C	S	.	.	H	α-helix	trans	-72.9	-41.9	178.3	-82.1	-1.6	0	0	0	112.9	N649 P651 G725 M726 K727 K732 Q733	N649-N729 PolarHBondContact O-ND2 2.93Å; P651-N729 WeakPolarHBondContact CD-ND2 3.48Å; P651-N729 VanDerWaalsContact CG-ND2 3.26Å; P651-N729 WeakPolarHBondContact CG-ND2 3.36Å; G725-N729 PolarHBondContact O-N 3.3Å; G725-N729 VanDerWaalsContact O-N 3.16Å; M726-N729 PolarHBondContact O-N 3.39Å; M726-N729 VanDerWaalsContact O-N 3.16Å; K727-N729 PolarHBondContact O-N 3.11Å; N729-K732 PolarHBondContact O-N 3.37Å; N729-Q733 WeakPolarHBondContact O-CG 3.37Å; N729-Q733 PolarHBondContact O-N 3.36Å; N729-Q733 VanDerWaalsContact O-N 3.12Å
730	E	84.8	Confident	79.1	Confident	63 Å²	63	67.5 Å²	67.5	29%	0.294	37%	0.365	S	S	.	.	H	α-helix	trans	-64.3	-43.8	174.8	-167.2	-173	-171.9	0	0	111.2	R542 F544 M726 K727 K732 Q733 V734	R542-E730 WeakPolarHBondContact CD-OE2 3.36Å; R542-E730 IonicContact CZ-OE2 3.72Å; R542-E730 IonicContact NE-OE1 3.78Å; R542-E730 IonicContact NE-OE2 2.68Å; R542-E730 PolarHBondContact NE-OE2 2.87Å; R542-E730 IonicContact NH1-OE2 2.69Å; R542-E730 PolarHBondContact NH1-OE2 2.97Å; F544-E730 WeakPolarHBondContact CE1-OE2 3.38Å; M726-E730 PolarHBondContact O-N 3.43Å; K727-E730 PolarHBondContact O-N 3.36Å; E730-K732 VanDerWaalsContact C-N 3.3Å; E730-K732 PolarHBondContact O-N 3.39Å; E730-Q733 PolarHBondContact O-N 2.85Å; E730-V734 WeakPolarHBondContact O-CG2 3.41Å; E730-V734 PolarHBondContact O-N 2.92Å
731	D	86.2	Confident	77.1	Confident	58 Å²	58	67.5 Å²	67.5	31%	0.31	37%	0.37	S	S	.	.	H	α-helix	trans	-61.6	-37.8	178.2	-71.5	-13.4	0	0	0	111.7	R542 K727 V734 A735	R542-D731 IonicContact CZ-OD1 3.72Å; R542-D731 IonicContact NH1-OD1 3.18Å; R542-D731 PolarHBondContact NH1-OD1 3.35Å; R542-D731 IonicContact NH2-OD1 3.39Å; R542-D731 PolarHBondContact NH2-OD1 2.9Å; K727-D731 WeakPolarHBondContact O-CB 3.37Å; K727-D731 VanDerWaalsContact O-CG 3.23Å; K727-D731 PolarHBondContact O-N 3.32Å; D731-V734 PolarHBondContact O-N 3.03Å; D731-A735 WeakPolarHBondContact O-CB 3.44Å; D731-A735 PolarHBondContact O-N 3.14Å
732	K	82	Confident	74.8	Confident	130 Å²	130	67 Å²	67	57%	0.565	37%	0.372	S	S	*	.	H	α-helix	trans	-62.8	-43.1	172.1	-76.2	169.6	-173.5	172.1	0	111.9	L728 N729 E730 A735 V736	L728-K732 VanDerWaalsContact O-CG 3.23Å; L728-K732 WeakPolarHBondContact O-CG 3.49Å; L728-K732 PolarHBondContact O-N 3.4Å; L728-K732 VanDerWaalsContact O-N 3.13Å; N729-K732 PolarHBondContact O-N 3.37Å; E730-K732 VanDerWaalsContact C-N 3.3Å; E730-K732 PolarHBondContact O-N 3.39Å; K732-A735 PolarHBondContact O-N 2.97Å; K732-V736 VanDerWaalsContact O-CG2 3.31Å; K732-V736 WeakPolarHBondContact O-CG2 3.34Å; K732-V736 PolarHBondContact O-N 2.98Å; K732-V736 VanDerWaalsContact O-N 3.09Å
733	Q	74.8	Confident	72.5	Confident	115 Å²	115	70 Å²	70	54%	0.537	39%	0.393	S	S	.	.	H	α-helix	trans	-64.6	-42.9	177.8	-69.8	-172.6	43.2	0	0	111.5	N729 E730 A735 V736 V737	N729-Q733 WeakPolarHBondContact O-CG 3.37Å; N729-Q733 PolarHBondContact O-N 3.36Å; N729-Q733 VanDerWaalsContact O-N 3.12Å; E730-Q733 PolarHBondContact O-N 2.85Å; Q733-A735 PolarHBondContact O-N 3.36Å; Q733-V736 PolarHBondContact O-N 3.47Å; Q733-V737 WeakPolarHBondContact O-CG2 3.33Å; Q733-V737 PolarHBondContact O-N 3.21Å; Q733-V737 VanDerWaalsContact O-N 3.17Å
734	V	71.5	Confident	70	Confident	76 Å²	76	73.7 Å²	73.7	46%	0.461	42%	0.419	S	S	.	.	H	α-helix	trans	-64	-39.2	176.4	176	0	0	0	0	111.6	E730 D731 V737 T738	E730-V734 WeakPolarHBondContact O-CG2 3.41Å; E730-V734 PolarHBondContact O-N 2.92Å; D731-V734 PolarHBondContact O-N 3.03Å; V734-V737 PolarHBondContact O-N 3.33Å; V734-T738 WeakPolarHBondContact O-CB 3.35Å; V734-T738 PolarHBondContact O-N 3.32Å; V734-T738 PolarHBondContact O-OG1 3.49Å
735	A	63.8	Low	67.7	Low	48 Å²	48	72.9 Å²	72.9	40%	0.397	42%	0.423	S	S	.	.	H	α-helix	trans	-63.5	-41.7	176.4	0	0	0	0	0	112.4	D731 K732 Q733 V737 T738 L739	D731-A735 WeakPolarHBondContact O-CB 3.44Å; D731-A735 PolarHBondContact O-N 3.14Å; K732-A735 PolarHBondContact O-N 2.97Å; Q733-A735 PolarHBondContact O-N 3.36Å; A735-V737 PolarHBondContact O-N 2.98Å; A735-T738 PolarHBondContact O-N 3.43Å; A735-L739 WeakPolarHBondContact O-CG 3.4Å; A735-L739 PolarHBondContact O-N 2.94Å
736	V	59.3	Low	65.3	Low	93 Å²	93	75.9 Å²	75.9	56%	0.564	44%	0.44	S	S	*	.	H	α-helix	trans	-62.5	-42.2	176.9	172.3	0	0	0	0	111.4	K732 Q733 T738 T740	K732-V736 VanDerWaalsContact O-CG2 3.31Å; K732-V736 WeakPolarHBondContact O-CG2 3.34Å; K732-V736 PolarHBondContact O-N 2.98Å; K732-V736 VanDerWaalsContact O-N 3.09Å; Q733-V736 PolarHBondContact O-N 3.47Å; V736-T738 VanDerWaalsContact C-N 3.34Å; V736-T740 WeakPolarHBondContact O-CG2 3.35Å; V736-T740 PolarHBondContact O-N 3.25Å; V736-T740 PolarHBondContact O-OG1 2.82Å
737	V	57.1	Low	62.6	Low	88 Å²	88	82.4 Å²	82.4	53%	0.533	48%	0.475	S	S	.	.	H	α-helix	trans	-66.3	-36.6	175.9	177.4	0	0	0	0	111.6	Q733 V734 A735 T740 T741	Q733-V737 WeakPolarHBondContact O-CG2 3.33Å; Q733-V737 PolarHBondContact O-N 3.21Å; Q733-V737 VanDerWaalsContact O-N 3.17Å; V734-V737 PolarHBondContact O-N 3.33Å; A735-V737 PolarHBondContact O-N 2.98Å; V737-T740 WeakPolarHBondContact CA-OG1 3.49Å; V737-T740 PolarHBondContact O-OG1 2.77Å; V737-T741 WeakPolarHBondContact O-CG2 3.47Å; V737-T741 PolarHBondContact O-N 3.47Å; V737-T741 VanDerWaalsContact O-N 3.14Å; V737-T741 PolarHBondContact O-OG1 3.17Å
738	T	52	Low	60	Low	79 Å²	79	87.9 Å²	87.9	49%	0.485	50%	0.501	S	S	.	.	H	α-helix	trans	-70.2	-38.1	179.5	-53.4	0	0	0	0	112.2	V734 A735 V736 T741 S742	V734-T738 WeakPolarHBondContact O-CB 3.35Å; V734-T738 PolarHBondContact O-N 3.32Å; V734-T738 PolarHBondContact O-OG1 3.49Å; A735-T738 PolarHBondContact O-N 3.43Å; V736-T738 VanDerWaalsContact C-N 3.34Å; T738-T741 PolarHBondContact O-OG1 2.99Å; T738-T741 VanDerWaalsContact O-OG1 3.08Å; T738-S742 WeakPolarHBondContact O-CB 3.34Å; T738-S742 PolarHBondContact O-N 3.03Å; T738-S742 VanDerWaalsContact O-N 3.11Å; T738-S742 PolarHBondContact O-OG 3.3Å
739	L	47.6	Very low	57.3	Low	120 Å²	120	94.4 Å²	94.4	63%	0.628	52%	0.519	S	S	*	.	H	α-helix	trans	-68.6	-39.6	177.1	-69.5	172.2	0	0	0	112	A735 S742 S743	A735-L739 WeakPolarHBondContact O-CG 3.4Å; A735-L739 PolarHBondContact O-N 2.94Å; L739-S742 WeakPolarHBondContact CA-OG 3.01Å; L739-S742 PolarHBondContact O-OG 3Å; L739-S743 PolarHBondContact O-N 3.45Å; L739-S743 VanDerWaalsContact O-N 3.11Å; L739-S743 PolarHBondContact O-OG 3.45Å
740	T	54	Low	54.6	Low	76 Å²	76	100.5 Å²	100.5	47%	0.466	55%	0.552	S	S	.	*	H	α-helix	trans	-70.3	-32.9	179.1	49	0	0	0	0	113	V736 V737 S743 S744	V736-T740 WeakPolarHBondContact O-CG2 3.35Å; V736-T740 PolarHBondContact O-N 3.25Å; V736-T740 PolarHBondContact O-OG1 2.82Å; V737-T740 WeakPolarHBondContact CA-OG1 3.49Å; V737-T740 PolarHBondContact O-OG1 2.77Å; T740-S743 PolarHBondContact O-OG 3.48Å; T740-S744 PolarHBondContact O-OG 3.4Å
741	T	52.8	Low	52.2	Low	80 Å²	80	105.3 Å²	105.3	49%	0.491	58%	0.578	S	S	.	*	H	α-helix	trans	-76.4	-34	175.6	50.8	0	0	0	0	113	V737 T738 S744 T745	V737-T741 WeakPolarHBondContact O-CG2 3.47Å; V737-T741 PolarHBondContact O-N 3.47Å; V737-T741 VanDerWaalsContact O-N 3.14Å; V737-T741 PolarHBondContact O-OG1 3.17Å; T738-T741 PolarHBondContact O-OG1 2.99Å; T738-T741 VanDerWaalsContact O-OG1 3.08Å; T741-S744 PolarHBondContact O-N 2.9Å; T741-T745 PolarHBondContact O-OG1 2.75Å
742	S	47.8	Very low	49.7	Very low	57 Å²	57	105.9 Å²	105.9	40%	0.399	60%	0.598	S	S	.	*	H	α-helix	trans	-76.5	-32.1	177.8	52	0	0	0	0	114	T738 L739 S744 T745 S746	T738-S742 WeakPolarHBondContact O-CB 3.34Å; T738-S742 PolarHBondContact O-N 3.03Å; T738-S742 VanDerWaalsContact O-N 3.11Å; T738-S742 PolarHBondContact O-OG 3.3Å; L739-S742 WeakPolarHBondContact CA-OG 3.01Å; L739-S742 PolarHBondContact O-OG 3Å; S742-S744 VanDerWaalsContact C-N 3.25Å; S742-S744 PolarHBondContact O-N 3.27Å; S742-T745 PolarHBondContact O-N 3.33Å; S742-T745 PolarHBondContact O-OG1 3.34Å; S742-S746 PolarHBondContact O-N 2.95Å; S742-S746 PolarHBondContact O-OG 3.1Å
743	S	47.8	Very low	47.4	Very low	66 Å²	66	109.6 Å²	109.6	46%	0.462	61%	0.614	S	S	.	*	H	α-helix	trans	-68.8	-24.1	170.6	52.5	0	0	0	0	113.1	L739 T740	L739-S743 PolarHBondContact O-N 3.45Å; L739-S743 VanDerWaalsContact O-N 3.11Å; L739-S743 PolarHBondContact O-OG 3.45Å; T740-S743 PolarHBondContact O-OG 3.48Å
744	S	42.5	Very low	45.4	Very low	81 Å²	81	113.2 Å²	113.2	57%	0.566	63%	0.628	S	S	*	*	H	α-helix	trans	-76.9	-28.8	178.4	-55.9	0	0	0	0	112.9	T740 T741 S742	T740-S744 PolarHBondContact O-OG 3.4Å; T741-S744 PolarHBondContact O-N 2.9Å; S742-S744 VanDerWaalsContact C-N 3.25Å; S742-S744 PolarHBondContact O-N 3.27Å
745	T	45	Very low	43.5	Very low	102 Å²	102	114.7 Å²	114.7	63%	0.626	64%	0.642	S	S	*	*	H	α-helix	trans	-91.2	-14.2	-178	49.7	0	0	0	0	114.1	T741 S742	T741-T745 PolarHBondContact O-OG1 2.75Å; S742-T745 PolarHBondContact O-N 3.33Å; S742-T745 PolarHBondContact O-OG1 3.34Å
746	S	40	Very low	41.9	Very low	83 Å²	83	119.2 Å²	119.2	58%	0.58	66%	0.66	S	S	*	*	S	Bend	trans	-86.5	-11.9	180	34	0	0	0	0	114.2	S742	S742-S746 PolarHBondContact O-N 2.95Å; S742-S746 PolarHBondContact O-OG 3.1Å
747	L	36.8	Very low	40.7	Very low	141 Å²	141	120.5 Å²	120.5	74%	0.738	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-82.3	-12.6	176.6	-84.4	157.8	0	0	0	114.5
748	E	36.8	Very low	39.5	Very low	172 Å²	172	123.3 Å²	123.3	80%	0.804	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-89	-2.5	-176.2	-74.6	-168.3	153.9	0	0	115.6
749	R	33.3	Very low	38.4	Very low	226 Å²	226	131 Å²	131	85%	0.853	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-96.2	0.2	-176	-79.4	-169.9	-170.3	155.8	5.5	117.4
750	N	30.6	Very low	37.7	Very low	156 Å²	156	131.2 Å²	131.2	83%	0.834	71%	0.706	S	S	*	*	S	Bend	trans	-118.5	27.6	-174.3	-82.5	-22.2	0	0	0	115.8
751	I	35.6	Very low	36.7	Very low	164 Å²	164	134.9 Å²	134.9	84%	0.841	72%	0.72	S	S	*	*			trans	-126.2	96.7	176.8	-54	175.2	0	0	0	109.1
752	G	32.9	Very low	35.5	Very low	71 Å²	71	137.4 Å²	137.4	73%	0.732	74%	0.74	S	S	*	*			trans	164.7	32.1	174.7	0	0	0	0	0	119.1
753	K	33.7	Very low	34.7	Very low	207 Å²	207	139 Å²	139	90%	0.9	75%	0.749	S	S	*	*			trans	-117.2	90	156.1	-77.3	-171	178.9	178.1	0	108.6	S755	K753-S755 PolarHBondContact O-N 3.34Å
754	K	31.7	Very low	34.1	Very low	191 Å²	191	146.2 Å²	146.2	83%	0.83	79%	0.791	S	S	*	*			trans	-58.3	111.1	171.9	-70.6	178.6	174.4	-178.9	0	109.1
755	S	32.3	Very low	33.6	Very low	108 Å²	108	149.5 Å²	149.5	76%	0.755	80%	0.803	S	S	*	*			trans	-101.1	95.8	155.7	56.5	0	0	0	0	107.1	K753 T757	K753-S755 PolarHBondContact O-N 3.34Å; S755-T757 PolarHBondContact O-N 3.35Å
756	D	30.6	Very low	33	Very low	143 Å²	143	152 Å²	152	77%	0.765	81%	0.812	S	S	*	*			trans	-67.6	111.2	163.6	-73.3	-45.5	0	0	0	107.6
757	T	34.8	Very low	32.6	Very low	119 Å²	119	155.8 Å²	155.8	73%	0.73	83%	0.825	S	S	*	*			trans	-172.5	135	151.9	16.9	0	0	0	0	110.8	S755	S755-T757 PolarHBondContact O-N 3.35Å
758	N	31.2	Very low	32.4	Very low	148 Å²	148	156.7 Å²	156.7	79%	0.791	83%	0.83	S	S	*	*			trans	83.4	81.5	158.5	-57.2	-13.9	0	0	0	118.3	T760	N758-T760 PolarHBondContact O-N 3.46Å
759	R	27.8	Very low	32.1	Very low	240 Å²	240	155.8 Å²	155.8	91%	0.906	83%	0.831	S	S	*	*				-25.7	125.4	121.4	-81	173.6	163.3	163.6	-5.1	111
760	T	33.2	Very low	32	Very low	124 Å²	124	151.1 Å²	151.1	76%	0.761	83%	0.83	S	S	*	*				178.4	130.8	119.1	30.8	0	0	0	0	111.8	N758	N758-T760 PolarHBondContact O-N 3.46Å
761	M	33.3	Very low	32.2	Very low	153 Å²	153	150.7 Å²	150.7	75%	0.754	83%	0.83	S	S	*	*			trans	70.4	97.3	141.6	-68.1	-158.1	54.6	0	0	119.9	C763	M761-C763 HydrophobicContact CE-CB 3.79Å
762	C	27.7	Very low	31.9	Very low	134 Å²	134	149.7 Å²	149.7	91%	0.905	83%	0.829	S	S	*	*			trans	-94.1	107.2	144.7	-164.4	0	0	0	0	107.4
763	C	31.7	Very low	31.8	Very low	89 Å²	89	156.3 Å²	156.3	60%	0.601	84%	0.837	S	S	*	*			trans	-147.1	140.6	165	-82.9	0	0	0	0	106.4	M761	M761-C763 HydrophobicContact CE-CB 3.79Å
764	T	33.8	Very low	31.6	Very low	219 Å²	219	151.6 Å²	151.6	100%	1.344	83%	0.831	S	S	*	*			trans	73.6	0	-175.7	61.9	0	0	0	0	117.4

Retrieved 764 of 764 residues in 122.6 ms (Link to these results)

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