A0A3Q0KN63_SCHMA Loading...

MRG domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KN63, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 627 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	45	Very low	77.1	Confident	206 Å²	206	100.3 Å²	100.3	100%	1.015	51%	0.514	S	S	*	.				0	85.8	0	-69.8	-61.4	-170.8	0	0	106.2	N3	M1-N3 PolarHBondContact O-N 3.39Å
2	D	53.6	Low	78.2	Confident	164 Å²	164	96.8 Å²	96.8	88%	0.877	49%	0.494	S	S	*	.			trans	-75.6	111.6	176.1	-69.4	-31.2	0	0	0	108	R4	D2-R4 PolarHBondContact O-N 3.47Å
3	N	62.8	Low	79.2	Confident	108 Å²	108	97.5 Å²	97.5	58%	0.578	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-61.4	124.4	172	-74.7	-15.5	0	0	0	107.9	M1	M1-N3 PolarHBondContact O-N 3.39Å
4	R	71.4	Confident	80.2	Confident	148 Å²	148	90.5 Å²	90.5	56%	0.558	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-58.7	138.5	171.2	-60.9	-175.3	-167.9	-177.5	7.7	108.7	D2 E42 P44	D2-R4 PolarHBondContact O-N 3.47Å; R4-E42 IonicContact NH2-OE2 3.48Å; R4-P44 HydrophobicContact CB-CG 4.02Å; R4-P44 WeakPolarHBondContact O-CG 3.02Å
5	P	80.9	Confident	81.1	Confident	114 Å²	114	84.5 Å²	84.5	74%	0.74	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-63	143.2	176.6	27.1	-34.3	0	0	0	110.1	R7	P5-R7 PolarHBondContact O-N 3.46Å
6	H	85.1	Confident	82	Confident	50 Å²	50	79.2 Å²	79.2	23%	0.231	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-62.4	120.9	171.9	-67.7	80.2	0	0	0	109.7	H35 V36 H45 Y46	H6-H35 AromaticContact CD2-CD2 3.7Å; H6-H35 AromaticContact CD2-CG 3.79Å; H6-H35 AromaticContact CG-CD2 3.75Å; H6-H35 AromaticContact CG-CG 3.71Å; H6-V36 PolarHBondContact NE2-O 2.93Å; H6-H45 PolarHBondContact CD2-O 3.01Å; H6-H45 PolarHBondContact NE2-O 3.34Å; H6-H45 VanDerWaalsContact NE2-O 3.13Å; H6-Y46 VanDerWaalsContact CA-OH 3.29Å; H6-Y46 WeakPolarHBondContact CA-OH 3.48Å; H6-Y46 HydrophobicContact CB-CE1 3.95Å; H6-Y46 AromaticContact CD2-CE1 3.66Å; H6-Y46 AromaticContact CD2-CZ 3.68Å
7	R	85.8	Confident	82.7	Confident	95 Å²	95	75 Å²	75	36%	0.358	38%	0.378	S	S	.	.			trans	-71.5	-31.5	178	-177.8	169.7	70.1	-117.7	-1.5	114.1	P5 Y46 E63	P5-R7 PolarHBondContact O-N 3.46Å; R7-Y46 PolarHBondContact N-OH 3.41Å; R7-E63 IonicContact CZ-OE1 3.71Å; R7-E63 PolarHBondContact N-OE2 2.86Å; R7-E63 IonicContact NH1-OE1 3.79Å; R7-E63 PolarHBondContact NH1-OE1 2.83Å; R7-E63 IonicContact NH2-OE1 2.68Å
8	Y	90.5	Very high	83.2	Confident	9 Å²	9	71.5 Å²	71.5	4%	0.035	36%	0.36	C	S	.	.	S	Bend	trans	-106.6	134.4	-172.4	-60.7	-68.3	0	0	0	112.6	Q12 L14 H35 Y46 E63 L66	Y8-Q12 VanDerWaalsContact CA-OE1 3.32Å; Y8-L14 HydrophobicContact CD1-CD2 4.3Å; Y8-L14 HydrophobicContact CD2-CD2 4.22Å; Y8-L14 HydrophobicContact CG-CD2 4.02Å; Y8-H35 PolarHBondContact O-NE2 3.46Å; Y8-Y46 HydrophobicContact CD2-CE1 4.34Å; Y8-Y46 HydrophobicContact CD2-CE2 4.43Å; Y8-Y46 PolarHBondContact N-OH 3.4Å; Y8-E63 HydrophobicContact CD2-CG 4.4Å; Y8-E63 HydrophobicContact CE2-CG 4.12Å; Y8-L66 HydrophobicContact CD2-CB 4.15Å; Y8-L66 HydrophobicContact CD2-CD1 3.74Å; Y8-L66 HydrophobicContact CE2-CB 3.62Å; Y8-L66 HydrophobicContact CE2-CD1 4.07Å
9	D	90.5	Very high	83.6	Confident	73 Å²	73	69.6 Å²	69.6	39%	0.39	35%	0.353	S	S	.	.			trans	-76.4	149.9	-178.7	-83.4	-33.5	0	0	0	112.6	G11 Q12 V32 R338	D9-G11 PolarHBondContact O-N 3.24Å; D9-Q12 HydrophobicContact CB-CB 4.47Å; D9-Q12 WeakPolarHBondContact O-CB 3.4Å; D9-Q12 PolarHBondContact O-N 3.24Å; D9-Q12 VanDerWaalsContact O-N 3.1Å; D9-V32 WeakPolarHBondContact O-CB 3.28Å; D9-R338 IonicContact OD2-CZ 3.53Å; D9-R338 IonicContact OD2-NH1 3.37Å; D9-R338 PolarHBondContact OD2-NH1 3.08Å
10	I	92	Very high	83.7	Confident	102 Å²	102	68.8 Å²	68.8	52%	0.523	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	131	169.3	-64.6	174.6	0	0	0	109.2	V32 L33	I10-V32 HydrophobicContact CG1-CG1 4.37Å; I10-L33 VanDerWaalsContact CG2-O 3.31Å; I10-L33 WeakPolarHBondContact CG2-O 3.2Å
11	G	90.2	Very high	83.7	Confident	34 Å²	34	69.8 Å²	69.8	35%	0.351	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	-13.2	-175.5	0	0	0	0	0	114.7	D9 K13 K31 V32	D9-G11 PolarHBondContact O-N 3.24Å; G11-K13 PolarHBondContact O-N 3.06Å; G11-K31 VanDerWaalsContact O-CE 3.32Å; G11-K31 WeakPolarHBondContact O-CE 3.32Å; G11-V32 WeakPolarHBondContact CA-O 3.18Å; G11-V32 PolarHBondContact N-O 3.13Å
12	Q	90.1	Very high	85.5	Confident	59 Å²	59	62.8 Å²	62.8	28%	0.276	34%	0.335	S	S	.	.			trans	-62.6	131.6	179	-171.1	170.3	2.8	0	0	111.1	Y8 D9 K31 V32	Y8-Q12 VanDerWaalsContact CA-OE1 3.32Å; D9-Q12 HydrophobicContact CB-CB 4.47Å; D9-Q12 WeakPolarHBondContact O-CB 3.4Å; D9-Q12 PolarHBondContact O-N 3.24Å; D9-Q12 VanDerWaalsContact O-N 3.1Å; Q12-K31 WeakPolarHBondContact O-CA 3.45Å; Q12-V32 HydrophobicContact CB-CG2 4.47Å; Q12-V32 PolarHBondContact O-N 3.42Å
13	K	91.4	Very high	87	Confident	105 Å²	105	58.7 Å²	58.7	46%	0.457	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.3	167.7	-71.8	-171.8	174.7	-169.4	0	108.9	G11 A30 E167	G11-K13 PolarHBondContact O-N 3.06Å; K13-A30 WeakPolarHBondContact CA-O 3.5Å; K13-E167 VanDerWaalsContact NZ-CD 3.28Å; K13-E167 IonicContact NZ-OE1 3.25Å; K13-E167 PolarHBondContact NZ-OE1 3.44Å; K13-E167 IonicContact NZ-OE2 2.63Å; K13-E167 PolarHBondContact NZ-OE2 3.48Å
14	L	93.6	Very high	87.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	178.9	-177.2	55.4	64.9	0	0	0	110.8	Y8 C16 A30 V32 L66 L67	Y8-L14 HydrophobicContact CD1-CD2 4.3Å; Y8-L14 HydrophobicContact CD2-CD2 4.22Å; Y8-L14 HydrophobicContact CG-CD2 4.02Å; L14-C16 HydrophobicContact CD1-CB 4.21Å; L14-A30 HydrophobicContact CD1-CB 3.7Å; L14-A30 PolarHBondContact N-O 2.65Å; L14-A30 PolarHBondContact O-N 3.39Å; L14-A30 VanDerWaalsContact O-O 3.09Å; L14-V32 HydrophobicContact CD2-CG2 3.48Å; L14-V32 VanDerWaalsContact CD2-CG2 3.48Å; L14-V32 HydrophobicContact CG-CG2 4.19Å; L14-L66 HydrophobicContact CD1-CD2 3.81Å; L14-L66 HydrophobicContact CD2-CB 4.32Å; L14-L66 HydrophobicContact CD2-CD1 3.96Å; L14-L66 HydrophobicContact CD2-CD2 4.07Å; L14-L66 HydrophobicContact CD2-CG 4.35Å; L14-L67 WeakPolarHBondContact CB-O 3.2Å
15	L	93.6	Very high	88.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	139.9	172.2	-74.9	166	0	0	0	108.6	I27 Y28 F29 L67 N73 R74 K77	L15-I27 HydrophobicContact CB-CG2 3.79Å; L15-I27 HydrophobicContact CD2-CG2 3.85Å; L15-I27 HydrophobicContact CG-CG2 4.33Å; L15-Y28 CarbonylContact C-O 3.58Å; L15-Y28 WeakPolarHBondContact CA-O 3.18Å; L15-F29 HydrophobicContact CD2-CD1 3.5Å; L15-F29 HydrophobicContact CD2-CE1 3.51Å; L15-F29 HydrophobicContact CD2-CG 4.07Å; L15-F29 HydrophobicContact CD2-CZ 4.08Å; L15-F29 HydrophobicContact CG-CD1 4.24Å; L15-F29 HydrophobicContact CG-CE1 4.2Å; L15-L67 HydrophobicContact CB-CB 3.84Å; L15-L67 PolarHBondContact N-O 3.28Å; L15-L67 PolarHBondContact O-N 2.85Å; L15-L67 VanDerWaalsContact O-O 3.09Å; L15-N73 HydrophobicContact CD1-CB 3.51Å; L15-R74 HydrophobicContact CD1-CG 4.2Å; L15-K77 HydrophobicContact CD2-CD 3.67Å
16	C	94.7	Very high	89.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	129.3	-176.9	-177.4	0	0	0	0	110	L14 Y28 A30 F50 L65 L66	L14-C16 HydrophobicContact CD1-CB 4.21Å; C16-Y28 PolarHBondContact N-O 3.43Å; C16-Y28 PolarHBondContact O-N 3.42Å; C16-A30 HydrophobicContact CB-CB 3.84Å; C16-F50 HydrophobicContact CB-CE1 3.81Å; C16-L65 WeakPolarHBondContact CA-O 3.19Å; C16-L66 HydrophobicContact CB-CD2 3.98Å
17	F	95	Very high	89.7	Confident	8 Å²	8	42.1 Å²	42.1	4%	0.035	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	149.2	168.5	-75.3	-74.9	0	0	0	110.9	P19 K25 L26 I27 L65 L67 L101	F17-P19 WeakPolarHBondContact O-CD 3.29Å; F17-K25 HydrophobicContact CD1-CB 4.31Å; F17-L26 CarbonylContact C-O 3.38Å; F17-L26 WeakPolarHBondContact CA-O 3.17Å; F17-I27 HydrophobicContact CD1-CD1 4.37Å; F17-I27 HydrophobicContact CD1-CG1 3.63Å; F17-I27 HydrophobicContact CE1-CD1 3.71Å; F17-I27 HydrophobicContact CE1-CG1 3.45Å; F17-I27 VanDerWaalsContact CE1-CG1 3.45Å; F17-I27 HydrophobicContact CG-CG1 4.41Å; F17-I27 HydrophobicContact CZ-CD1 3.96Å; F17-I27 HydrophobicContact CZ-CG1 4.12Å; F17-L65 HydrophobicContact CB-CB 4.36Å; F17-L65 HydrophobicContact CB-CD2 4.09Å; F17-L65 PolarHBondContact N-O 3.47Å; F17-L67 HydrophobicContact CD2-CD1 4.31Å; F17-L67 HydrophobicContact CD2-CG 4.35Å; F17-L67 HydrophobicContact CE2-CD1 3.6Å; F17-L67 HydrophobicContact CE2-CD2 4.09Å; F17-L67 HydrophobicContact CE2-CG 3.83Å; F17-L67 HydrophobicContact CZ-CD1 3.84Å; F17-L101 HydrophobicContact CE1-CD1 4.23Å; F17-L101 HydrophobicContact CE1-CD2 3.75Å; F17-L101 HydrophobicContact CZ-CD2 3.66Å
18	E	91.7	Very high	90.1	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.056	22%	0.222	C	C	.	.			trans	-56.5	115.5	167.2	170.6	56.6	-101	0	0	110	D20 K23 L26 Y28 R59	E18-D20 VanDerWaalsContact C-N 3.27Å; E18-D20 HydrophobicContact CG-CB 4.24Å; E18-D20 PolarHBondContact O-N 3.47Å; E18-D20 VanDerWaalsContact OE1-CB 3.26Å; E18-D20 WeakPolarHBondContact OE1-CB 3.31Å; E18-D20 PolarHBondContact OE1-N 3.21Å; E18-K23 HydrophobicContact CG-CB 3.87Å; E18-K23 HydrophobicContact CG-CD 3.72Å; E18-K23 HydrophobicContact CG-CG 4.4Å; E18-K23 IonicContact OE1-NZ 2.69Å; E18-K23 VanDerWaalsContact OE2-CD 3.26Å; E18-K23 WeakPolarHBondContact OE2-CD 3.36Å; E18-K23 IonicContact OE2-NZ 3.64Å; E18-K23 PolarHBondContact OE2-NZ 3.25Å; E18-L26 PolarHBondContact N-O 3.16Å; E18-Y28 HydrophobicContact CB-CD2 4.45Å; E18-Y28 HydrophobicContact CB-CE2 3.9Å; E18-Y28 HydrophobicContact CG-CE2 4.49Å; E18-R59 IonicContact OE1-NH1 2.65Å
19	P	89.5	Confident	90.2	Very high	36 Å²	36	41.8 Å²	41.8	23%	0.234	23%	0.229	C	C	.	.	S	Bend	trans	-73.5	-14.5	-175.9	28.1	-35.9	0	0	0	114.3	F17 S21 F50 R59 V61 L65	F17-P19 WeakPolarHBondContact O-CD 3.29Å; P19-S21 PolarHBondContact O-N 3.26Å; P19-F50 HydrophobicContact CG-CZ 4.33Å; P19-R59 VanDerWaalsContact CG-CD 3.42Å; P19-V61 HydrophobicContact CB-CG1 3.88Å; P19-V61 HydrophobicContact CG-CG1 3.97Å; P19-L65 HydrophobicContact CB-CD1 3.66Å
20	D	86.6	Confident	90.4	Very high	52 Å²	52	38.6 Å²	38.6	28%	0.278	21%	0.213	S	C	.	.			trans	-77.2	101	172.5	-175.3	-17	0	0	0	111.5	E18 S22 K23	E18-D20 VanDerWaalsContact C-N 3.27Å; E18-D20 HydrophobicContact CG-CB 4.24Å; E18-D20 PolarHBondContact O-N 3.47Å; E18-D20 VanDerWaalsContact OE1-CB 3.26Å; E18-D20 WeakPolarHBondContact OE1-CB 3.31Å; E18-D20 PolarHBondContact OE1-N 3.21Å; D20-S22 PolarHBondContact O-N 3.25Å; D20-S22 WeakPolarHBondContact OD1-CB 3.33Å; D20-S22 PolarHBondContact OD1-N 2.83Å; D20-S22 PolarHBondContact OD1-OG 3.47Å; D20-S22 PolarHBondContact OD2-OG 2.62Å; D20-K23 HydrophobicContact CB-CD 3.98Å; D20-K23 HydrophobicContact CB-CG 4.1Å; D20-K23 WeakPolarHBondContact O-CB 3.29Å; D20-K23 PolarHBondContact O-N 2.96Å; D20-K23 VanDerWaalsContact OD2-CE 3.28Å; D20-K23 WeakPolarHBondContact OD2-CE 3.46Å
21	S	84.2	Confident	90.5	Very high	91 Å²	91	38.5 Å²	38.5	64%	0.636	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-13.7	179.5	58.2	0	0	0	0	115.2	P19	P19-S21 PolarHBondContact O-N 3.26Å
22	S	83.1	Confident	90.7	Very high	59 Å²	59	36.9 Å²	36.9	41%	0.413	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-25.7	174	81.2	0	0	0	0	112.3	D20 R90	D20-S22 PolarHBondContact O-N 3.25Å; D20-S22 WeakPolarHBondContact OD1-CB 3.33Å; D20-S22 PolarHBondContact OD1-N 2.83Å; D20-S22 PolarHBondContact OD1-OG 3.47Å; D20-S22 PolarHBondContact OD2-OG 2.62Å; S22-R90 PolarHBondContact O-NH2 3.46Å
23	K	84	Confident	90.9	Very high	77 Å²	77	37.7 Å²	37.7	34%	0.335	20%	0.198	S	C	.	.	S	Bend	trans	-82.9	178.8	-179.1	-63	-178.9	-165.7	169.3	0	111.4	E18 D20	E18-K23 HydrophobicContact CG-CB 3.87Å; E18-K23 HydrophobicContact CG-CD 3.72Å; E18-K23 HydrophobicContact CG-CG 4.4Å; E18-K23 IonicContact OE1-NZ 2.69Å; E18-K23 VanDerWaalsContact OE2-CD 3.26Å; E18-K23 WeakPolarHBondContact OE2-CD 3.36Å; E18-K23 IonicContact OE2-NZ 3.64Å; E18-K23 PolarHBondContact OE2-NZ 3.25Å; D20-K23 HydrophobicContact CB-CD 3.98Å; D20-K23 HydrophobicContact CB-CG 4.1Å; D20-K23 WeakPolarHBondContact O-CB 3.29Å; D20-K23 PolarHBondContact O-N 2.96Å; D20-K23 VanDerWaalsContact OD2-CE 3.28Å; D20-K23 WeakPolarHBondContact OD2-CE 3.46Å
24	A	80.5	Confident	91.1	Very high	22 Å²	22	37.2 Å²	37.2	18%	0.182	20%	0.196	C	C	.	.			trans	-71	148.3	167.5	0	0	0	0	0	109.6	L26 I97	A24-L26 HydrophobicContact CB-CD2 4.32Å; A24-L26 HydrophobicContact CB-CG 4.17Å; A24-L26 PolarHBondContact O-N 3.48Å; A24-I97 HydrophobicContact CB-CD1 4.02Å
25	K	88.5	Confident	91.1	Very high	18 Å²	18	40.7 Å²	40.7	8%	0.078	21%	0.212	C	C	.	.			trans	-73.6	56	177.8	-60.7	174.8	179.9	168.1	0	111.7	F17 I97 D98 L101 L609	F17-K25 HydrophobicContact CD1-CB 4.31Å; K25-I97 HydrophobicContact CB-CG2 3.99Å; K25-D98 WeakPolarHBondContact CD-OD1 3.34Å; K25-D98 WeakPolarHBondContact CE-OD1 3.28Å; K25-D98 IonicContact NZ-OD1 3.58Å; K25-D98 PolarHBondContact NZ-OD1 2.93Å; K25-L101 HydrophobicContact CB-CD1 3.98Å; K25-L101 HydrophobicContact CD-CD1 3.55Å; K25-L101 HydrophobicContact CG-CD1 4.46Å; K25-L609 HydrophobicContact CD-CD2 3.93Å
26	L	93.5	Very high	91	Very high	32 Å²	32	41.6 Å²	41.6	17%	0.168	22%	0.218	C	C	.	.			trans	-68.3	153.4	174	-58.3	-178	0	0	0	109.7	F17 E18 A24 Y28 I80 A84 I97	F17-L26 CarbonylContact C-O 3.38Å; F17-L26 WeakPolarHBondContact CA-O 3.17Å; E18-L26 PolarHBondContact N-O 3.16Å; A24-L26 HydrophobicContact CB-CD2 4.32Å; A24-L26 HydrophobicContact CB-CG 4.17Å; A24-L26 PolarHBondContact O-N 3.48Å; L26-Y28 HydrophobicContact CB-CE1 4.45Å; L26-Y28 HydrophobicContact CB-CE2 4.38Å; L26-Y28 WeakPolarHBondContact CD1-OH 3.26Å; L26-I80 HydrophobicContact CD2-CG2 3.81Å; L26-A84 HydrophobicContact CD2-CB 3.58Å; L26-I97 HydrophobicContact CD2-CD1 4.03Å
27	I	93.9	Very high	90.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.5	177.4	-55.7	173.9	0	0	0	107.6	L15 F17 L67 L76 K77 I80	L15-I27 HydrophobicContact CB-CG2 3.79Å; L15-I27 HydrophobicContact CD2-CG2 3.85Å; L15-I27 HydrophobicContact CG-CG2 4.33Å; F17-I27 HydrophobicContact CD1-CD1 4.37Å; F17-I27 HydrophobicContact CD1-CG1 3.63Å; F17-I27 HydrophobicContact CE1-CD1 3.71Å; F17-I27 HydrophobicContact CE1-CG1 3.45Å; F17-I27 VanDerWaalsContact CE1-CG1 3.45Å; F17-I27 HydrophobicContact CG-CG1 4.41Å; F17-I27 HydrophobicContact CZ-CD1 3.96Å; F17-I27 HydrophobicContact CZ-CG1 4.12Å; I27-L67 HydrophobicContact CD1-CD1 3.85Å; I27-L67 HydrophobicContact CG2-CD1 4.4Å; I27-L76 HydrophobicContact CD1-CD2 4.07Å; I27-L76 HydrophobicContact CD1-CG 3.9Å; I27-K77 HydrophobicContact CB-CB 4Å; I27-K77 HydrophobicContact CB-CD 4.43Å; I27-K77 HydrophobicContact CB-CG 4.05Å; I27-K77 HydrophobicContact CD1-CB 4.38Å; I27-K77 HydrophobicContact CG2-CB 4.19Å; I27-K77 HydrophobicContact CG2-CD 4.35Å; I27-K77 HydrophobicContact CG2-CG 4.4Å; I27-K77 WeakPolarHBondContact O-CD 3.36Å; I27-K77 WeakPolarHBondContact O-CE 3.09Å; I27-I80 HydrophobicContact CD1-CD1 3.78Å; I27-I80 HydrophobicContact CG1-CD1 4.24Å
28	Y	94	Very high	89.7	Confident	57 Å²	57	51.5 Å²	51.5	22%	0.224	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	149.4	178.6	-62.2	-59.8	0	0	0	110.5	L15 C16 E18 L26 F50 W53	L15-Y28 CarbonylContact C-O 3.58Å; L15-Y28 WeakPolarHBondContact CA-O 3.18Å; C16-Y28 PolarHBondContact N-O 3.43Å; C16-Y28 PolarHBondContact O-N 3.42Å; E18-Y28 HydrophobicContact CB-CD2 4.45Å; E18-Y28 HydrophobicContact CB-CE2 3.9Å; E18-Y28 HydrophobicContact CG-CE2 4.49Å; L26-Y28 HydrophobicContact CB-CE1 4.45Å; L26-Y28 HydrophobicContact CB-CE2 4.38Å; L26-Y28 WeakPolarHBondContact CD1-OH 3.26Å; Y28-F50 HydrophobicContact CD2-CD1 4.18Å; Y28-F50 HydrophobicContact CD2-CE1 4.23Å; Y28-F50 HydrophobicContact CG-CD1 4.28Å; Y28-W53 HydrophobicContact CD1-CZ2 4.47Å; Y28-W53 HydrophobicContact CD2-CH2 4.38Å; Y28-W53 HydrophobicContact CD2-CZ2 4Å; Y28-W53 HydrophobicContact CE1-CZ2 4.21Å; Y28-W53 AromaticContact CE2-CH2 3.98Å; Y28-W53 HydrophobicContact CE2-CH2 3.98Å; Y28-W53 AromaticContact CE2-CZ2 3.68Å; Y28-W53 HydrophobicContact CE2-CZ2 3.68Å; Y28-W53 HydrophobicContact CG-CZ2 4.39Å; Y28-W53 AromaticContact CZ-CZ2 3.81Å
29	F	92.9	Very high	89	Confident	40 Å²	40	60.7 Å²	60.7	18%	0.175	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	135.2	164.7	-71.1	-73.7	0	0	0	109.4	L15 H51 K77 D165	L15-F29 HydrophobicContact CD2-CD1 3.5Å; L15-F29 HydrophobicContact CD2-CE1 3.51Å; L15-F29 HydrophobicContact CD2-CG 4.07Å; L15-F29 HydrophobicContact CD2-CZ 4.08Å; L15-F29 HydrophobicContact CG-CD1 4.24Å; L15-F29 HydrophobicContact CG-CE1 4.2Å; F29-H51 HydrophobicContact CB-CB 3.86Å; F29-H51 PolarHBondContact O-N 2.91Å; F29-K77 HydrophobicContact CD2-CD 4.39Å; F29-K77 HydrophobicContact CE2-CD 4Å; F29-K77 HydrophobicContact CZ-CD 4.29Å; F29-D165 HydrophobicContact CE2-CB 4.18Å; F29-D165 WeakPolarHBondContact CE2-OD2 3.1Å; F29-D165 WeakPolarHBondContact CZ-OD2 3.06Å
30	A	94.4	Very high	88.5	Confident	6 Å²	6	65.2 Å²	65.2	5%	0.05	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	160.6	178	0	0	0	0	0	112	K13 L14 C16 V48 H49 F50	K13-A30 WeakPolarHBondContact CA-O 3.5Å; L14-A30 HydrophobicContact CD1-CB 3.7Å; L14-A30 PolarHBondContact N-O 2.65Å; L14-A30 PolarHBondContact O-N 3.39Å; L14-A30 VanDerWaalsContact O-O 3.09Å; C16-A30 HydrophobicContact CB-CB 3.84Å; A30-V48 HydrophobicContact CB-CB 4.25Å; A30-H49 CarbonylContact C-O 3.4Å; A30-H49 WeakPolarHBondContact CA-O 3.29Å; A30-H49 WeakPolarHBondContact CB-O 3.44Å; A30-F50 HydrophobicContact CB-CD1 4.07Å; A30-F50 HydrophobicContact CB-CE1 4.4Å
31	K	94.4	Very high	88.1	Confident	100 Å²	100	65.1 Å²	65.1	44%	0.435	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.6	174.4	-175.9	177.6	178.8	178.8	0	109.4	G11 Q12 L33 V48 H49	G11-K31 VanDerWaalsContact O-CE 3.32Å; G11-K31 WeakPolarHBondContact O-CE 3.32Å; Q12-K31 WeakPolarHBondContact O-CA 3.45Å; K31-L33 PolarHBondContact O-N 3.26Å; K31-V48 WeakPolarHBondContact O-CA 3.34Å; K31-H49 PolarHBondContact N-O 2.82Å; K31-H49 PolarHBondContact O-N 3.33Å
32	V	95	Very high	88	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.006	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	123.5	172.5	-176.9	0	0	0	0	109.1	D9 I10 G11 Q12 L14 Y46	D9-V32 WeakPolarHBondContact O-CB 3.28Å; I10-V32 HydrophobicContact CG1-CG1 4.37Å; G11-V32 WeakPolarHBondContact CA-O 3.18Å; G11-V32 PolarHBondContact N-O 3.13Å; Q12-V32 HydrophobicContact CB-CG2 4.47Å; Q12-V32 PolarHBondContact O-N 3.42Å; L14-V32 HydrophobicContact CD2-CG2 3.48Å; L14-V32 VanDerWaalsContact CD2-CG2 3.48Å; L14-V32 HydrophobicContact CG-CG2 4.19Å; V32-Y46 HydrophobicContact CG1-CD1 3.92Å; V32-Y46 HydrophobicContact CG2-CD1 4.45Å
33	L	95.4	Very high	88.1	Confident	76 Å²	76	65.5 Å²	65.5	40%	0.398	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-39.5	175.5	-61.3	-175.7	0	0	0	112.5	I10 K31 G47 H49 D58	I10-L33 VanDerWaalsContact CG2-O 3.31Å; I10-L33 WeakPolarHBondContact CG2-O 3.2Å; K31-L33 PolarHBondContact O-N 3.26Å; L33-G47 WeakPolarHBondContact CB-O 3.46Å; L33-G47 PolarHBondContact N-O 3.24Å; L33-H49 HydrophobicContact CD1-CB 3.98Å; L33-H49 HydrophobicContact CD2-CB 3.88Å; L33-H49 HydrophobicContact CG-CB 3.94Å; L33-D58 HydrophobicContact CD1-CB 4.29Å; L33-D58 WeakPolarHBondContact CD1-OD2 3.26Å
34	K	94.9	Very high	88.3	Confident	95 Å²	95	62.3 Å²	62.3	41%	0.413	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	150.8	-177.7	58.8	170.5	-174.7	166.7	0	111.4	V36 Y46 G47 E60	K34-V36 HydrophobicContact CD-CG2 4.07Å; K34-V36 HydrophobicContact CG-CG2 4.08Å; K34-Y46 WeakPolarHBondContact O-CA 3.47Å; K34-G47 PolarHBondContact N-O 2.87Å; K34-G47 PolarHBondContact O-N 3.18Å; K34-E60 VanDerWaalsContact CE-OE1 3.29Å; K34-E60 WeakPolarHBondContact CE-OE1 3.44Å; K34-E60 IonicContact NZ-OE1 3.87Å; K34-E60 PolarHBondContact NZ-OE1 2.69Å
35	H	94.2	Very high	88.9	Confident	73 Å²	73	61.9 Å²	61.9	34%	0.338	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	141.3	160.7	-61.7	153.2	0	0	0	109.8	H6 Y8 Y46	H6-H35 AromaticContact CD2-CD2 3.7Å; H6-H35 AromaticContact CD2-CG 3.79Å; H6-H35 AromaticContact CG-CD2 3.75Å; H6-H35 AromaticContact CG-CG 3.71Å; Y8-H35 PolarHBondContact O-NE2 3.46Å; H35-Y46 AromaticContact CD2-CD1 3.87Å; H35-Y46 AromaticContact CD2-CE1 3.78Å
36	V	91.5	Very high	89.3	Confident	19 Å²	19	61 Å²	61	12%	0.115	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.2	177	-179.1	0	0	0	0	108.9	H6 K34 H45 E60	H6-V36 PolarHBondContact NE2-O 2.93Å; K34-V36 HydrophobicContact CD-CG2 4.07Å; K34-V36 HydrophobicContact CG-CG2 4.08Å; V36-H45 WeakPolarHBondContact CA-O 3.3Å; V36-H45 HydrophobicContact CB-CB 3.83Å; V36-H45 HydrophobicContact CG1-CB 4.09Å; V36-H45 PolarHBondContact N-O 2.83Å; V36-H45 PolarHBondContact O-N 2.9Å; V36-E60 HydrophobicContact CG2-CG 4.25Å
37	S	82.5	Confident	89.4	Confident	89 Å²	89	59.7 Å²	59.7	62%	0.622	29%	0.29	S	S	*	.			trans	-102.5	105.9	177.8	-61.8	0	0	0	0	109.5
38	R	79.8	Confident	89.5	Confident	127 Å²	127	59.7 Å²	59.7	48%	0.479	29%	0.29	S	S	.	.			trans	-104.3	121.1	179.4	-167.7	179.2	-165.3	156	10	109.7	D40 T41	R38-D40 HydrophobicContact CG-CB 4.38Å; R38-D40 IonicContact NE-OD2 3.42Å; R38-D40 PolarHBondContact NE-OD2 2.98Å; R38-D40 PolarHBondContact O-N 3.35Å; R38-T41 PolarHBondContact O-N 3.24Å
39	K	75.3	Confident	89.6	Confident	205 Å²	205	59.2 Å²	59.2	89%	0.891	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-21	-177.2	-65.4	-176.5	179.3	-179.6	0	113.4
40	D	79.4	Confident	89.6	Confident	131 Å²	131	57.3 Å²	57.3	70%	0.701	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-5.5	-173.9	-37.1	-47.7	0	0	0	113.6	R38	R38-D40 HydrophobicContact CG-CB 4.38Å; R38-D40 IonicContact NE-OD2 3.42Å; R38-D40 PolarHBondContact NE-OD2 2.98Å; R38-D40 PolarHBondContact O-N 3.35Å
41	T	78.5	Confident	89.3	Confident	50 Å²	50	62.1 Å²	62.1	31%	0.307	30%	0.302	S	S	.	.			trans	-143.9	129	-171.2	57.9	0	0	0	0	112.4	R38 I43 H45	R38-T41 PolarHBondContact O-N 3.24Å; T41-I43 PolarHBondContact O-N 2.96Å; T41-I43 PolarHBondContact OG1-O 2.73Å; T41-H45 PolarHBondContact OG1-CE1 3.42Å
42	E	83	Confident	88.9	Confident	123 Å²	123	60.8 Å²	60.8	58%	0.575	32%	0.317	S	S	*	.	S	Bend	trans	-66.1	-15.1	172.8	-61.4	-177.8	179.8	0	0	114.3	R4	R4-E42 IonicContact NH2-OE2 3.48Å
43	I	84.1	Confident	88.7	Confident	35 Å²	35	63.3 Å²	63.3	18%	0.179	33%	0.326	C	S	.	.	S	Bend	trans	-88.2	123.8	-177.9	-56.9	177.3	0	0	0	109	T41 H45 P62 E63	T41-I43 PolarHBondContact O-N 2.96Å; T41-I43 PolarHBondContact OG1-O 2.73Å; I43-H45 PolarHBondContact O-ND1 2.8Å; I43-P62 HydrophobicContact CG2-CB 4.12Å; I43-E63 HydrophobicContact CG2-CB 3.94Å
44	P	89.1	Confident	88.4	Confident	10 Å²	10	66.9 Å²	66.9	7%	0.065	34%	0.338	C	S	.	.			trans	-55.6	141.1	174.8	-25.2	35.3	0	0	0	111.8	R4 Y46 E63	R4-P44 HydrophobicContact CB-CG 4.02Å; R4-P44 WeakPolarHBondContact O-CG 3.02Å; P44-Y46 HydrophobicContact CB-CE2 4.04Å; P44-E63 PolarHBondContact O-N 2.93Å
45	H	93.5	Very high	88.1	Confident	12 Å²	12	66.6 Å²	66.6	6%	0.056	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	156.2	174	-74.8	55.9	0	0	0	110.4	H6 V36 T41 I43 V61	H6-H45 PolarHBondContact CD2-O 3.01Å; H6-H45 PolarHBondContact NE2-O 3.34Å; H6-H45 VanDerWaalsContact NE2-O 3.13Å; V36-H45 WeakPolarHBondContact CA-O 3.3Å; V36-H45 HydrophobicContact CB-CB 3.83Å; V36-H45 HydrophobicContact CG1-CB 4.09Å; V36-H45 PolarHBondContact N-O 2.83Å; V36-H45 PolarHBondContact O-N 2.9Å; T41-H45 PolarHBondContact OG1-CE1 3.42Å; I43-H45 PolarHBondContact O-ND1 2.8Å; H45-V61 CarbonylContact C-O 3.58Å; H45-V61 WeakPolarHBondContact CA-O 3.22Å
46	Y	95.6	Very high	88	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	135.9	-177.4	-59.6	-99.2	0	0	0	109.4	H6 R7 Y8 V32 K34 H35 P44 E60 V61 E63 L66	H6-Y46 VanDerWaalsContact CA-OH 3.29Å; H6-Y46 WeakPolarHBondContact CA-OH 3.48Å; H6-Y46 HydrophobicContact CB-CE1 3.95Å; H6-Y46 AromaticContact CD2-CE1 3.66Å; H6-Y46 AromaticContact CD2-CZ 3.68Å; R7-Y46 PolarHBondContact N-OH 3.41Å; Y8-Y46 HydrophobicContact CD2-CE1 4.34Å; Y8-Y46 HydrophobicContact CD2-CE2 4.43Å; Y8-Y46 PolarHBondContact N-OH 3.4Å; V32-Y46 HydrophobicContact CG1-CD1 3.92Å; V32-Y46 HydrophobicContact CG2-CD1 4.45Å; K34-Y46 WeakPolarHBondContact O-CA 3.47Å; H35-Y46 AromaticContact CD2-CD1 3.87Å; H35-Y46 AromaticContact CD2-CE1 3.78Å; P44-Y46 HydrophobicContact CB-CE2 4.04Å; Y46-E60 CarbonylContact O-C 3.43Å; Y46-E60 WeakPolarHBondContact O-CA 3.37Å; Y46-V61 PolarHBondContact N-O 3.28Å; Y46-V61 PolarHBondContact O-N 2.87Å; Y46-E63 HydrophobicContact CD2-CB 4.5Å; Y46-E63 HydrophobicContact CE2-CB 3.77Å; Y46-E63 HydrophobicContact CE2-CG 3.75Å; Y46-E63 PolarHBondContact OH-OE2 2.66Å; Y46-L66 HydrophobicContact CD1-CD1 4.3Å; Y46-L66 HydrophobicContact CD2-CD1 3.33Å; Y46-L66 HydrophobicContact CE2-CD1 3.78Å; Y46-L66 HydrophobicContact CG-CD1 3.64Å
47	G	96.3	Very high	88	Confident	5 Å²	5	76.6 Å²	76.6	5%	0.052	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	121.5	162.4	0	0	0	0	0	108.4	L33 K34 R59	L33-G47 WeakPolarHBondContact CB-O 3.46Å; L33-G47 PolarHBondContact N-O 3.24Å; K34-G47 PolarHBondContact N-O 2.87Å; K34-G47 PolarHBondContact O-N 3.18Å; G47-R59 WeakPolarHBondContact CA-O 3.2Å
48	V	96.4	Very high	88.5	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.5	-177.9	-62.3	0	0	0	0	112.2	A30 K31 F50 D58 R59 V61 L66	A30-V48 HydrophobicContact CB-CB 4.25Å; K31-V48 WeakPolarHBondContact O-CA 3.34Å; V48-F50 HydrophobicContact CG2-CE2 4.09Å; V48-F50 HydrophobicContact CG2-CZ 3.99Å; V48-D58 WeakPolarHBondContact O-CA 3.5Å; V48-R59 PolarHBondContact N-O 2.85Å; V48-R59 PolarHBondContact O-N 2.88Å; V48-R59 VanDerWaalsContact O-N 3.12Å; V48-V61 HydrophobicContact CB-CG2 4.38Å; V48-V61 HydrophobicContact CG1-CG2 3.8Å; V48-V61 HydrophobicContact CG2-CB 4.45Å; V48-V61 HydrophobicContact CG2-CG1 3.94Å; V48-V61 HydrophobicContact CG2-CG2 3.62Å; V48-L66 HydrophobicContact CG1-CD2 4.14Å
49	H	95.1	Very high	89.2	Confident	46 Å²	46	73.3 Å²	73.3	21%	0.213	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.9	169	178.7	68.6	0	0	0	109.7	A30 K31 L33 W53 D58	A30-H49 CarbonylContact C-O 3.4Å; A30-H49 WeakPolarHBondContact CA-O 3.29Å; A30-H49 WeakPolarHBondContact CB-O 3.44Å; K31-H49 PolarHBondContact N-O 2.82Å; K31-H49 PolarHBondContact O-N 3.33Å; L33-H49 HydrophobicContact CD1-CB 3.98Å; L33-H49 HydrophobicContact CD2-CB 3.88Å; L33-H49 HydrophobicContact CG-CB 3.94Å; H49-W53 PolarHBondContact CE1-O 3.05Å; H49-W53 VanDerWaalsContact CE1-O 3.24Å; H49-D58 WeakPolarHBondContact CA-OD1 3.41Å; H49-D58 IonicContact CE1-OD1 3.84Å; H49-D58 IonicContact CG-OD1 3.37Å; H49-D58 IonicContact ND1-OD1 3.93Å; H49-D58 PolarHBondContact ND1-OD1 2.71Å; H49-D58 IonicContact ND1-OD2 3.64Å
50	F	93.3	Very high	90.1	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	133.6	175.9	-65.1	-79.9	0	0	0	111	C16 P19 Y28 A30 V48 G52 W53 R59	C16-F50 HydrophobicContact CB-CE1 3.81Å; P19-F50 HydrophobicContact CG-CZ 4.33Å; Y28-F50 HydrophobicContact CD2-CD1 4.18Å; Y28-F50 HydrophobicContact CD2-CE1 4.23Å; Y28-F50 HydrophobicContact CG-CD1 4.28Å; A30-F50 HydrophobicContact CB-CD1 4.07Å; A30-F50 HydrophobicContact CB-CE1 4.4Å; V48-F50 HydrophobicContact CG2-CE2 4.09Å; V48-F50 HydrophobicContact CG2-CZ 3.99Å; F50-G52 PolarHBondContact O-N 2.9Å; F50-W53 HydrophobicContact CB-CB 3.97Å; F50-W53 HydrophobicContact CB-CD2 3.54Å; F50-W53 HydrophobicContact CB-CE3 3.91Å; F50-W53 HydrophobicContact CB-CG 3.53Å; F50-W53 HydrophobicContact CD2-CD2 4.29Å; F50-W53 AromaticContact CD2-CE3 3.76Å; F50-W53 HydrophobicContact CD2-CE3 3.76Å; F50-W53 HydrophobicContact CD2-CZ3 4.01Å; F50-W53 HydrophobicContact CE2-CZ3 4.48Å; F50-W53 HydrophobicContact CG-CD2 4.11Å; F50-W53 HydrophobicContact CG-CE3 4.03Å; F50-W53 HydrophobicContact CG-CZ3 4.39Å; F50-W53 WeakPolarHBondContact O-CB 3.33Å; F50-W53 PolarHBondContact O-N 2.85Å; F50-R59 HydrophobicContact CE2-CB 4.16Å; F50-R59 HydrophobicContact CE2-CG 4.2Å
51	H	87.6	Confident	90.8	Very high	108 Å²	108	62.3 Å²	62.3	50%	0.5	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	130.1	-177.7	-176.7	110.4	0	0	0	111	F29 W53 E167	F29-H51 HydrophobicContact CB-CB 3.86Å; F29-H51 PolarHBondContact O-N 2.91Å; H51-W53 VanDerWaalsContact O-CD1 3.3Å; H51-W53 PolarHBondContact O-N 2.97Å; H51-E167 IonicContact CE1-OE2 2.68Å; H51-E167 PolarHBondContact CE1-OE2 3.26Å; H51-E167 IonicContact ND1-OE2 2.71Å; H51-E167 PolarHBondContact ND1-OE2 3.38Å; H51-E167 VanDerWaalsContact ND1-OE2 3.17Å
52	G	87.1	Confident	91.5	Very high	72 Å²	72	61.1 Å²	61.1	74%	0.742	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	-0.4	-179.3	0	0	0	0	0	114.8	F50	F50-G52 PolarHBondContact O-N 2.9Å
53	W	89.9	Confident	91.9	Very high	54 Å²	54	56.6 Å²	56.6	21%	0.205	28%	0.282	C	S	.	.	S	Bend	trans	-91.1	159.8	177.4	-65.1	32.4	0	0	0	109.7	Y28 H49 F50 H51 W57	Y28-W53 HydrophobicContact CD1-CZ2 4.47Å; Y28-W53 HydrophobicContact CD2-CH2 4.38Å; Y28-W53 HydrophobicContact CD2-CZ2 4Å; Y28-W53 HydrophobicContact CE1-CZ2 4.21Å; Y28-W53 AromaticContact CE2-CH2 3.98Å; Y28-W53 HydrophobicContact CE2-CH2 3.98Å; Y28-W53 AromaticContact CE2-CZ2 3.68Å; Y28-W53 HydrophobicContact CE2-CZ2 3.68Å; Y28-W53 HydrophobicContact CG-CZ2 4.39Å; Y28-W53 AromaticContact CZ-CZ2 3.81Å; H49-W53 PolarHBondContact CE1-O 3.05Å; H49-W53 VanDerWaalsContact CE1-O 3.24Å; F50-W53 HydrophobicContact CB-CB 3.97Å; F50-W53 HydrophobicContact CB-CD2 3.54Å; F50-W53 HydrophobicContact CB-CE3 3.91Å; F50-W53 HydrophobicContact CB-CG 3.53Å; F50-W53 HydrophobicContact CD2-CD2 4.29Å; F50-W53 AromaticContact CD2-CE3 3.76Å; F50-W53 HydrophobicContact CD2-CE3 3.76Å; F50-W53 HydrophobicContact CD2-CZ3 4.01Å; F50-W53 HydrophobicContact CE2-CZ3 4.48Å; F50-W53 HydrophobicContact CG-CD2 4.11Å; F50-W53 HydrophobicContact CG-CE3 4.03Å; F50-W53 HydrophobicContact CG-CZ3 4.39Å; F50-W53 WeakPolarHBondContact O-CB 3.33Å; F50-W53 PolarHBondContact O-N 2.85Å; H51-W53 VanDerWaalsContact O-CD1 3.3Å; H51-W53 PolarHBondContact O-N 2.97Å; W53-W57 HydrophobicContact CB-CB 4.5Å; W53-W57 HydrophobicContact CB-CE3 4.36Å; W53-W57 AromaticContact CD2-CE3 3.89Å; W53-W57 HydrophobicContact CD2-CE3 3.89Å; W53-W57 HydrophobicContact CE3-CB 3.94Å; W53-W57 HydrophobicContact CE3-CD2 4.42Å; W53-W57 AromaticContact CE3-CE3 3.61Å; W53-W57 HydrophobicContact CE3-CE3 3.61Å; W53-W57 HydrophobicContact CE3-CZ3 4.46Å; W53-W57 HydrophobicContact CG-CE3 4.26Å; W53-W57 HydrophobicContact CZ3-CE3 4.17Å
54	K	88.7	Confident	92.2	Very high	150 Å²	150	55.8 Å²	55.8	65%	0.652	28%	0.279	S	S	*	.			trans	-80.1	143.5	174.3	-63.8	-175.5	178.5	-176.1	0	109	K56 W57	K54-K56 HydrophobicContact CB-CG 4Å; K54-K56 PolarHBondContact O-N 3.41Å; K54-W57 WeakPolarHBondContact O-CA 3.46Å; K54-W57 WeakPolarHBondContact O-CB 3.47Å; K54-W57 PolarHBondContact O-N 3.12Å
55	C	89.4	Confident	92.4	Very high	90 Å²	90	56.1 Å²	56.1	61%	0.608	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-55.1	-26	-178.2	-47.5	0	0	0	0	114.3	W57 D58	C55-W57 PolarHBondContact O-N 3.06Å; C55-D58 WeakPolarHBondContact CA-OD1 3.37Å; C55-D58 WeakPolarHBondContact CA-OD2 3.29Å; C55-D58 VanDerWaalsContact O-CB 3.29Å; C55-D58 WeakPolarHBondContact O-CB 3.45Å; C55-D58 PolarHBondContact O-N 2.76Å; C55-D58 VanDerWaalsContact O-OD2 3.12Å
56	K	93.2	Very high	92.4	Very high	167 Å²	167	55.9 Å²	55.9	73%	0.726	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-64.3	-5.5	170.8	65.1	151.9	-176.8	175.3	0	114.9	K54	K54-K56 HydrophobicContact CB-CG 4Å; K54-K56 PolarHBondContact O-N 3.41Å
57	W	90.3	Very high	92.2	Very high	135 Å²	135	56.7 Å²	56.7	51%	0.511	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-111.1	8.2	176.2	-65.2	1.2	0	0	0	112	W53 K54 C55	W53-W57 HydrophobicContact CB-CB 4.5Å; W53-W57 HydrophobicContact CB-CE3 4.36Å; W53-W57 AromaticContact CD2-CE3 3.89Å; W53-W57 HydrophobicContact CD2-CE3 3.89Å; W53-W57 HydrophobicContact CE3-CB 3.94Å; W53-W57 HydrophobicContact CE3-CD2 4.42Å; W53-W57 AromaticContact CE3-CE3 3.61Å; W53-W57 HydrophobicContact CE3-CE3 3.61Å; W53-W57 HydrophobicContact CE3-CZ3 4.46Å; W53-W57 HydrophobicContact CG-CE3 4.26Å; W53-W57 HydrophobicContact CZ3-CE3 4.17Å; K54-W57 WeakPolarHBondContact O-CA 3.46Å; K54-W57 WeakPolarHBondContact O-CB 3.47Å; K54-W57 PolarHBondContact O-N 3.12Å; C55-W57 PolarHBondContact O-N 3.06Å
58	D	94.1	Very high	91.9	Very high	52 Å²	52	60.5 Å²	60.5	28%	0.278	30%	0.299	S	S	.	.			trans	-60.7	141.8	169.6	-61.1	-13	0	0	0	109.1	L33 V48 H49 C55	L33-D58 HydrophobicContact CD1-CB 4.29Å; L33-D58 WeakPolarHBondContact CD1-OD2 3.26Å; V48-D58 WeakPolarHBondContact O-CA 3.5Å; H49-D58 WeakPolarHBondContact CA-OD1 3.41Å; H49-D58 IonicContact CE1-OD1 3.84Å; H49-D58 IonicContact CG-OD1 3.37Å; H49-D58 IonicContact ND1-OD1 3.93Å; H49-D58 PolarHBondContact ND1-OD1 2.71Å; H49-D58 IonicContact ND1-OD2 3.64Å; C55-D58 WeakPolarHBondContact CA-OD1 3.37Å; C55-D58 WeakPolarHBondContact CA-OD2 3.29Å; C55-D58 VanDerWaalsContact O-CB 3.29Å; C55-D58 WeakPolarHBondContact O-CB 3.45Å; C55-D58 PolarHBondContact O-N 2.76Å; C55-D58 VanDerWaalsContact O-OD2 3.12Å
59	R	93.9	Very high	91.5	Very high	94 Å²	94	62.6 Å²	62.6	36%	0.355	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151.9	-174.6	-65.6	-174.3	175.4	-148.3	-5.6	111.1	E18 P19 G47 V48 F50 V61	E18-R59 IonicContact OE1-NH1 2.65Å; P19-R59 VanDerWaalsContact CG-CD 3.42Å; G47-R59 WeakPolarHBondContact CA-O 3.2Å; V48-R59 PolarHBondContact N-O 2.85Å; V48-R59 PolarHBondContact O-N 2.88Å; V48-R59 VanDerWaalsContact O-N 3.12Å; F50-R59 HydrophobicContact CE2-CB 4.16Å; F50-R59 HydrophobicContact CE2-CG 4.2Å; R59-V61 HydrophobicContact CB-CG1 4.18Å
60	E	94.9	Very high	91.1	Very high	105 Å²	105	62.3 Å²	62.3	49%	0.491	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	120.6	164.5	-61.4	-170.2	165.3	0	0	108.4	K34 V36 Y46	K34-E60 VanDerWaalsContact CE-OE1 3.29Å; K34-E60 WeakPolarHBondContact CE-OE1 3.44Å; K34-E60 IonicContact NZ-OE1 3.87Å; K34-E60 PolarHBondContact NZ-OE1 2.69Å; V36-E60 HydrophobicContact CG2-CG 4.25Å; Y46-E60 CarbonylContact O-C 3.43Å; Y46-E60 WeakPolarHBondContact O-CA 3.37Å
61	V	93.8	Very high	90.6	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.9	-177.1	-59.2	0	0	0	0	110.6	P19 H45 Y46 V48 R59 L65 L66	P19-V61 HydrophobicContact CB-CG1 3.88Å; P19-V61 HydrophobicContact CG-CG1 3.97Å; H45-V61 CarbonylContact C-O 3.58Å; H45-V61 WeakPolarHBondContact CA-O 3.22Å; Y46-V61 PolarHBondContact N-O 3.28Å; Y46-V61 PolarHBondContact O-N 2.87Å; V48-V61 HydrophobicContact CB-CG2 4.38Å; V48-V61 HydrophobicContact CG1-CG2 3.8Å; V48-V61 HydrophobicContact CG2-CB 4.45Å; V48-V61 HydrophobicContact CG2-CG1 3.94Å; V48-V61 HydrophobicContact CG2-CG2 3.62Å; R59-V61 HydrophobicContact CB-CG1 4.18Å; V61-L65 HydrophobicContact CB-CD1 4.34Å; V61-L66 HydrophobicContact CG2-CD2 3.69Å; V61-L66 HydrophobicContact CG2-CG 4.24Å
62	P	92.8	Very high	90.6	Very high	26 Å²	26	61.7 Å²	61.7	17%	0.169	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	156.1	170.1	29.7	-35.9	0	0	0	111.9	I43 D64 L65	I43-P62 HydrophobicContact CG2-CB 4.12Å; P62-D64 WeakPolarHBondContact CB-OD1 3.31Å; P62-D64 WeakPolarHBondContact CG-OD1 3.4Å; P62-D64 PolarHBondContact O-N 3.28Å; P62-D64 VanDerWaalsContact O-N 3.17Å; P62-L65 HydrophobicContact CG-CD1 4.26Å; P62-L65 HydrophobicContact CG-CG 4.25Å; P62-L65 PolarHBondContact O-N 3.48Å
63	E	91	Very high	90.8	Very high	27 Å²	27	58.3 Å²	58.3	13%	0.126	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-58.4	-27.3	-176.5	-161.9	174.3	96.3	0	0	114.7	R7 Y8 I43 P44 Y46 L65 L66	R7-E63 IonicContact CZ-OE1 3.71Å; R7-E63 PolarHBondContact N-OE2 2.86Å; R7-E63 IonicContact NH1-OE1 3.79Å; R7-E63 PolarHBondContact NH1-OE1 2.83Å; R7-E63 IonicContact NH2-OE1 2.68Å; Y8-E63 HydrophobicContact CD2-CG 4.4Å; Y8-E63 HydrophobicContact CE2-CG 4.12Å; I43-E63 HydrophobicContact CG2-CB 3.94Å; P44-E63 PolarHBondContact O-N 2.93Å; Y46-E63 HydrophobicContact CD2-CB 4.5Å; Y46-E63 HydrophobicContact CE2-CB 3.77Å; Y46-E63 HydrophobicContact CE2-CG 3.75Å; Y46-E63 PolarHBondContact OH-OE2 2.66Å; E63-L65 PolarHBondContact O-N 3.34Å; E63-L66 WeakPolarHBondContact O-CB 3.39Å; E63-L66 PolarHBondContact O-N 3.18Å
64	D	90.7	Very high	90.8	Very high	19 Å²	19	58.1 Å²	58.1	10%	0.102	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-67.3	-20.8	-179.6	56.2	-13.2	0	0	0	113.3	P62 L66 S605 R612	P62-D64 WeakPolarHBondContact CB-OD1 3.31Å; P62-D64 WeakPolarHBondContact CG-OD1 3.4Å; P62-D64 PolarHBondContact O-N 3.28Å; P62-D64 VanDerWaalsContact O-N 3.17Å; D64-L66 VanDerWaalsContact C-N 3.35Å; D64-S605 PolarHBondContact O-OG 2.62Å; D64-R612 IonicContact OD2-NH1 3.67Å
65	L	93.3	Very high	90.8	Very high	17 Å²	17	52.5 Å²	52.5	9%	0.089	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-84.8	-6.5	171.7	-61	-176.8	0	0	0	113.8	C16 F17 P19 V61 P62 E63 L609	C16-L65 WeakPolarHBondContact CA-O 3.19Å; F17-L65 HydrophobicContact CB-CB 4.36Å; F17-L65 HydrophobicContact CB-CD2 4.09Å; F17-L65 PolarHBondContact N-O 3.47Å; P19-L65 HydrophobicContact CB-CD1 3.66Å; V61-L65 HydrophobicContact CB-CD1 4.34Å; P62-L65 HydrophobicContact CG-CD1 4.26Å; P62-L65 HydrophobicContact CG-CG 4.25Å; P62-L65 PolarHBondContact O-N 3.48Å; E63-L65 PolarHBondContact O-N 3.34Å; L65-L609 HydrophobicContact CD2-CD1 4.35Å
66	L	93.2	Very high	90.9	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.3	-177.5	-58	-177.4	0	0	0	111.7	Y8 L14 C16 Y46 V48 V61 E63 D64	Y8-L66 HydrophobicContact CD2-CB 4.15Å; Y8-L66 HydrophobicContact CD2-CD1 3.74Å; Y8-L66 HydrophobicContact CE2-CB 3.62Å; Y8-L66 HydrophobicContact CE2-CD1 4.07Å; L14-L66 HydrophobicContact CD1-CD2 3.81Å; L14-L66 HydrophobicContact CD2-CB 4.32Å; L14-L66 HydrophobicContact CD2-CD1 3.96Å; L14-L66 HydrophobicContact CD2-CD2 4.07Å; L14-L66 HydrophobicContact CD2-CG 4.35Å; C16-L66 HydrophobicContact CB-CD2 3.98Å; Y46-L66 HydrophobicContact CD1-CD1 4.3Å; Y46-L66 HydrophobicContact CD2-CD1 3.33Å; Y46-L66 HydrophobicContact CE2-CD1 3.78Å; Y46-L66 HydrophobicContact CG-CD1 3.64Å; V48-L66 HydrophobicContact CG1-CD2 4.14Å; V61-L66 HydrophobicContact CG2-CD2 3.69Å; V61-L66 HydrophobicContact CG2-CG 4.24Å; E63-L66 WeakPolarHBondContact O-CB 3.39Å; E63-L66 PolarHBondContact O-N 3.18Å; D64-L66 VanDerWaalsContact C-N 3.35Å
67	L	92	Very high	90.9	Very high	17 Å²	17	42 Å²	42	9%	0.089	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.5	176.6	-66.2	179.1	0	0	0	109.5	L14 L15 F17 I27 N73 M602	L14-L67 WeakPolarHBondContact CB-O 3.2Å; L15-L67 HydrophobicContact CB-CB 3.84Å; L15-L67 PolarHBondContact N-O 3.28Å; L15-L67 PolarHBondContact O-N 2.85Å; L15-L67 VanDerWaalsContact O-O 3.09Å; F17-L67 HydrophobicContact CD2-CD1 4.31Å; F17-L67 HydrophobicContact CD2-CG 4.35Å; F17-L67 HydrophobicContact CE2-CD1 3.6Å; F17-L67 HydrophobicContact CE2-CD2 4.09Å; F17-L67 HydrophobicContact CE2-CG 3.83Å; F17-L67 HydrophobicContact CZ-CD1 3.84Å; I27-L67 HydrophobicContact CD1-CD1 3.85Å; I27-L67 HydrophobicContact CG2-CD1 4.4Å; L67-N73 HydrophobicContact CB-CB 4.42Å; L67-N73 HydrophobicContact CD1-CB 4.49Å; L67-M602 HydrophobicContact CD2-CE 4.35Å
68	E	89.9	Confident	90.9	Very high	86 Å²	86	38.1 Å²	38.1	40%	0.402	18%	0.178	S	C	.	.			trans	-69.7	145.8	175.4	-172.9	156.7	-167.8	0	0	111.5	N70 N73	E68-N70 PolarHBondContact O-N 3.17Å; E68-N73 WeakPolarHBondContact O-CB 3.48Å; E68-N73 PolarHBondContact O-ND2 3.31Å
69	N	88	Confident	90.8	Very high	44 Å²	44	36.6 Å²	36.6	24%	0.235	17%	0.169	C	C	.	.			trans	-80.1	62.8	-178.9	-167.6	12.6	0	0	0	111.8	R74	N69-R74 PolarHBondContact ND2-NH2 2.87Å; N69-R74 PolarHBondContact OD1-NE 2.68Å; N69-R74 PolarHBondContact OD1-NH2 3.23Å
70	N	86.5	Confident	90.8	Very high	39 Å²	39	32.1 Å²	32.1	21%	0.209	15%	0.152	C	C	.	.	S	Bend	trans	-103.6	167.3	175.6	77.8	-6.6	0	0	0	111.4	E68 F72 N73 R74 Q598	E68-N70 PolarHBondContact O-N 3.17Å; N70-F72 VanDerWaalsContact C-N 3.34Å; N70-F72 PolarHBondContact O-N 3.04Å; N70-N73 PolarHBondContact O-N 3.32Å; N70-N73 VanDerWaalsContact OD1-CB 3.3Å; N70-N73 WeakPolarHBondContact OD1-CB 3.3Å; N70-N73 VanDerWaalsContact OD1-CG 3.23Å; N70-N73 PolarHBondContact OD1-N 2.68Å; N70-N73 PolarHBondContact OD1-ND2 3.23Å; N70-R74 WeakPolarHBondContact O-CD 3.31Å; N70-R74 VanDerWaalsContact O-CG 3.28Å; N70-R74 WeakPolarHBondContact O-CG 3.32Å; N70-R74 PolarHBondContact O-N 2.86Å; N70-R74 VanDerWaalsContact O-N 3.14Å; N70-Q598 PolarHBondContact ND2-NE2 3.23Å
71	E	83.5	Confident	90.6	Very high	80 Å²	80	28.7 Å²	28.7	37%	0.374	14%	0.137	S	C	.	.	H	α-helix	trans	-61.2	-40.8	-176.8	-172	53.3	-146.3	0	0	112.6	N73 R74 I75 R78 I163	E71-N73 PolarHBondContact O-N 3.07Å; E71-R74 WeakPolarHBondContact O-CB 3.34Å; E71-R74 PolarHBondContact O-N 2.87Å; E71-R74 VanDerWaalsContact O-N 3.12Å; E71-R74 IonicContact OE2-NH1 2.59Å; E71-I75 HydrophobicContact CG-CD1 3.97Å; E71-I75 HydrophobicContact CG-CG1 4.28Å; E71-I75 WeakPolarHBondContact O-CG1 3.32Å; E71-I75 PolarHBondContact O-N 3.4Å; E71-I75 WeakPolarHBondContact OE1-CG1 3.42Å; E71-R78 IonicContact OE1-NH2 2.9Å; E71-R78 PolarHBondContact OE1-NH2 2.79Å; E71-I163 WeakPolarHBondContact OE1-CG2 3.35Å
72	F	87.9	Confident	90.6	Very high	15 Å²	15	30.9 Å²	30.9	7%	0.066	15%	0.147	C	C	.	.	H	α-helix	trans	-53	-52.5	175.4	179.1	-87.8	0	0	0	112.7	N70 R74 I75 L76 A104 G108 I111 W113 M602	N70-F72 VanDerWaalsContact C-N 3.34Å; N70-F72 PolarHBondContact O-N 3.04Å; F72-R74 VanDerWaalsContact C-N 3.27Å; F72-R74 PolarHBondContact O-N 3.28Å; F72-I75 PolarHBondContact O-N 2.99Å; F72-L76 HydrophobicContact CE1-CD2 4.36Å; F72-L76 WeakPolarHBondContact O-CB 3.32Å; F72-L76 PolarHBondContact O-N 3.09Å; F72-A104 HydrophobicContact CE1-CB 4.42Å; F72-A104 HydrophobicContact CZ-CB 3.95Å; F72-G108 WeakPolarHBondContact CE2-O 3.4Å; F72-I111 HydrophobicContact CD2-CG2 4.29Å; F72-I111 HydrophobicContact CE2-CB 4.44Å; F72-I111 HydrophobicContact CE2-CG2 3.56Å; F72-I111 HydrophobicContact CZ-CG2 4.44Å; F72-W113 AromaticContact CD2-CZ2 3.84Å; F72-W113 HydrophobicContact CD2-CZ2 3.84Å; F72-W113 HydrophobicContact CE1-CH2 4.44Å; F72-W113 HydrophobicContact CE1-CZ2 4.47Å; F72-W113 HydrophobicContact CE2-CH2 4.04Å; F72-W113 AromaticContact CE2-CZ2 3.55Å; F72-W113 HydrophobicContact CE2-CZ2 3.55Å; F72-W113 HydrophobicContact CG-CZ2 4.44Å; F72-W113 AromaticContact CZ-CH2 3.93Å; F72-W113 HydrophobicContact CZ-CH2 3.93Å; F72-W113 AromaticContact CZ-CZ2 3.91Å; F72-W113 HydrophobicContact CZ-CZ2 3.91Å; F72-M602 HydrophobicContact CD1-CE 4.08Å; F72-M602 HydrophobicContact CE1-CE 3.57Å; F72-M602 HydrophobicContact CE1-SD 3.78Å; F72-M602 HydrophobicContact CZ-SD 4.33Å
73	N	90.6	Very high	90.5	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-69	-26	-178.3	-69.5	-36.9	0	0	0	112.2	L15 L67 E68 N70 E71 K77 M602	L15-N73 HydrophobicContact CD1-CB 3.51Å; L67-N73 HydrophobicContact CB-CB 4.42Å; L67-N73 HydrophobicContact CD1-CB 4.49Å; E68-N73 WeakPolarHBondContact O-CB 3.48Å; E68-N73 PolarHBondContact O-ND2 3.31Å; N70-N73 PolarHBondContact O-N 3.32Å; N70-N73 VanDerWaalsContact OD1-CB 3.3Å; N70-N73 WeakPolarHBondContact OD1-CB 3.3Å; N70-N73 VanDerWaalsContact OD1-CG 3.23Å; N70-N73 PolarHBondContact OD1-N 2.68Å; N70-N73 PolarHBondContact OD1-ND2 3.23Å; E71-N73 PolarHBondContact O-N 3.07Å; N73-K77 WeakPolarHBondContact O-CB 3.34Å; N73-K77 PolarHBondContact O-N 2.84Å; N73-M602 WeakPolarHBondContact OD1-CE 3.45Å
74	R	89.3	Confident	90.6	Very high	50 Å²	50	29.2 Å²	29.2	19%	0.189	14%	0.14	C	C	.	.	H	α-helix	trans	-71.6	-44.3	172.5	-66.6	163.5	179.3	-147	-16.5	112	L15 N69 N70 E71 F72 L76 K77 R78 E168	L15-R74 HydrophobicContact CD1-CG 4.2Å; N69-R74 PolarHBondContact ND2-NH2 2.87Å; N69-R74 PolarHBondContact OD1-NE 2.68Å; N69-R74 PolarHBondContact OD1-NH2 3.23Å; N70-R74 WeakPolarHBondContact O-CD 3.31Å; N70-R74 VanDerWaalsContact O-CG 3.28Å; N70-R74 WeakPolarHBondContact O-CG 3.32Å; N70-R74 PolarHBondContact O-N 2.86Å; N70-R74 VanDerWaalsContact O-N 3.14Å; E71-R74 WeakPolarHBondContact O-CB 3.34Å; E71-R74 PolarHBondContact O-N 2.87Å; E71-R74 VanDerWaalsContact O-N 3.12Å; E71-R74 IonicContact OE2-NH1 2.59Å; F72-R74 VanDerWaalsContact C-N 3.27Å; F72-R74 PolarHBondContact O-N 3.28Å; R74-L76 VanDerWaalsContact C-N 3.33Å; R74-K77 PolarHBondContact O-N 3.24Å; R74-R78 WeakPolarHBondContact O-CB 3.45Å; R74-R78 PolarHBondContact O-N 3.37Å; R74-E168 IonicContact CZ-OE1 3.26Å; R74-E168 IonicContact NH1-OE1 3.93Å; R74-E168 PolarHBondContact NH1-OE1 2.59Å; R74-E168 IonicContact NH1-OE2 3.66Å; R74-E168 PolarHBondContact NH1-OE2 3.09Å; R74-E168 IonicContact NH2-OE1 3.28Å; R74-E168 PolarHBondContact NH2-OE1 3.38Å
75	I	89.6	Confident	90.5	Very high	33 Å²	33	35.3 Å²	35.3	17%	0.169	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-43.5	173.6	-56.4	163.9	0	0	0	109.7	E71 F72 K77 R78 K79 W113	E71-I75 HydrophobicContact CG-CD1 3.97Å; E71-I75 HydrophobicContact CG-CG1 4.28Å; E71-I75 WeakPolarHBondContact O-CG1 3.32Å; E71-I75 PolarHBondContact O-N 3.4Å; E71-I75 WeakPolarHBondContact OE1-CG1 3.42Å; F72-I75 PolarHBondContact O-N 2.99Å; I75-K77 PolarHBondContact O-N 3Å; I75-R78 WeakPolarHBondContact O-CB 3.45Å; I75-R78 PolarHBondContact O-N 3.01Å; I75-R78 VanDerWaalsContact O-N 3.08Å; I75-K79 HydrophobicContact CG2-CG 4.25Å; I75-K79 WeakPolarHBondContact O-CG 3.45Å; I75-K79 PolarHBondContact O-N 3.29Å; I75-W113 HydrophobicContact CB-CZ2 4.09Å; I75-W113 HydrophobicContact CG2-CD2 3.66Å; I75-W113 VanDerWaalsContact CG2-CE2 3.45Å; I75-W113 HydrophobicContact CG2-CE3 4.43Å; I75-W113 HydrophobicContact CG2-CG 3.75Å; I75-W113 HydrophobicContact CG2-CZ2 4.08Å
76	L	90.7	Very high	90.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-55.1	-50.1	174.1	178.7	56.6	0	0	0	111.8	I27 F72 R74 R78 K79 I80 I100 L101 A104 W113 M602	I27-L76 HydrophobicContact CD1-CD2 4.07Å; I27-L76 HydrophobicContact CD1-CG 3.9Å; F72-L76 HydrophobicContact CE1-CD2 4.36Å; F72-L76 WeakPolarHBondContact O-CB 3.32Å; F72-L76 PolarHBondContact O-N 3.09Å; R74-L76 VanDerWaalsContact C-N 3.33Å; L76-R78 VanDerWaalsContact C-N 3.33Å; L76-R78 PolarHBondContact O-N 3.35Å; L76-K79 PolarHBondContact O-N 3.47Å; L76-I80 HydrophobicContact CD1-CD1 3.82Å; L76-I80 HydrophobicContact CD1-CG1 4.33Å; L76-I80 HydrophobicContact CG-CD1 4.05Å; L76-I80 WeakPolarHBondContact O-CB 3.4Å; L76-I80 WeakPolarHBondContact O-CG1 3.1Å; L76-I80 PolarHBondContact O-N 2.92Å; L76-I100 HydrophobicContact CD1-CG2 3.69Å; L76-L101 HydrophobicContact CD1-CD2 4.2Å; L76-L101 HydrophobicContact CD2-CD2 4.17Å; L76-A104 HydrophobicContact CD1-CB 3.9Å; L76-A104 HydrophobicContact CD2-CB 4.33Å; L76-W113 HydrophobicContact CB-CH2 3.66Å; L76-W113 HydrophobicContact CB-CZ2 4.32Å; L76-W113 HydrophobicContact CB-CZ3 4.38Å; L76-W113 HydrophobicContact CD1-CH2 3.87Å; L76-W113 HydrophobicContact CD1-CZ3 3.95Å; L76-W113 HydrophobicContact CG-CH2 4.32Å; L76-M602 HydrophobicContact CD2-SD 4.49Å
77	K	92.6	Very high	90.3	Very high	34 Å²	34	37.2 Å²	37.2	15%	0.148	18%	0.179	C	C	.	.	H	α-helix	trans	-56.1	-47	173.4	173.3	178.8	176.2	-54.2	0	111.1	L15 I27 F29 N73 R74 I75 I80 D81	L15-K77 HydrophobicContact CD2-CD 3.67Å; I27-K77 HydrophobicContact CB-CB 4Å; I27-K77 HydrophobicContact CB-CD 4.43Å; I27-K77 HydrophobicContact CB-CG 4.05Å; I27-K77 HydrophobicContact CD1-CB 4.38Å; I27-K77 HydrophobicContact CG2-CB 4.19Å; I27-K77 HydrophobicContact CG2-CD 4.35Å; I27-K77 HydrophobicContact CG2-CG 4.4Å; I27-K77 WeakPolarHBondContact O-CD 3.36Å; I27-K77 WeakPolarHBondContact O-CE 3.09Å; F29-K77 HydrophobicContact CD2-CD 4.39Å; F29-K77 HydrophobicContact CE2-CD 4Å; F29-K77 HydrophobicContact CZ-CD 4.29Å; N73-K77 WeakPolarHBondContact O-CB 3.34Å; N73-K77 PolarHBondContact O-N 2.84Å; R74-K77 PolarHBondContact O-N 3.24Å; I75-K77 PolarHBondContact O-N 3Å; K77-I80 PolarHBondContact O-N 3.49Å; K77-D81 IonicContact NZ-OD2 3.74Å; K77-D81 PolarHBondContact NZ-OD2 2.93Å; K77-D81 WeakPolarHBondContact O-CB 3.43Å; K77-D81 PolarHBondContact O-N 2.83Å
78	R	90.7	Very high	90	Very high	54 Å²	54	43.6 Å²	43.6	20%	0.204	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-48.7	-179.6	-160.2	-173.2	-50.8	114.8	9.3	111.8	E71 R74 I75 L76 I80 D81 E82 S162 I163	E71-R78 IonicContact OE1-NH2 2.9Å; E71-R78 PolarHBondContact OE1-NH2 2.79Å; R74-R78 WeakPolarHBondContact O-CB 3.45Å; R74-R78 PolarHBondContact O-N 3.37Å; I75-R78 WeakPolarHBondContact O-CB 3.45Å; I75-R78 PolarHBondContact O-N 3.01Å; I75-R78 VanDerWaalsContact O-N 3.08Å; L76-R78 VanDerWaalsContact C-N 3.33Å; L76-R78 PolarHBondContact O-N 3.35Å; R78-I80 VanDerWaalsContact C-N 3.32Å; R78-I80 PolarHBondContact O-N 2.99Å; R78-D81 PolarHBondContact O-N 2.96Å; R78-E82 WeakPolarHBondContact O-CG 3.36Å; R78-E82 PolarHBondContact O-N 2.95Å; R78-S162 WeakPolarHBondContact CD-O 3.33Å; R78-S162 PolarHBondContact NE-O 3.37Å; R78-I163 VanDerWaalsContact CZ-O 3.22Å; R78-I163 PolarHBondContact NE-O 3.25Å; R78-I163 VanDerWaalsContact NE-O 3.08Å; R78-I163 VanDerWaalsContact NH2-CG2 3.35Å; R78-I163 PolarHBondContact NH2-O 3.27Å
79	K	92.6	Very high	89.9	Confident	21 Å²	21	41.6 Å²	41.6	9%	0.091	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-33.9	177.2	-64.7	-51	-156.7	176.5	0	112.6	I75 L76 E82 V83 W113 E114 V119	I75-K79 HydrophobicContact CG2-CG 4.25Å; I75-K79 WeakPolarHBondContact O-CG 3.45Å; I75-K79 PolarHBondContact O-N 3.29Å; L76-K79 PolarHBondContact O-N 3.47Å; K79-E82 VanDerWaalsContact CD-OE2 3.23Å; K79-E82 WeakPolarHBondContact CD-OE2 3.16Å; K79-E82 IonicContact NZ-OE2 3.74Å; K79-V83 PolarHBondContact O-N 3.38Å; K79-W113 HydrophobicContact CG-CD2 4.36Å; K79-W113 HydrophobicContact CG-CE3 3.88Å; K79-E114 IonicContact NZ-OE1 3.17Å; K79-E114 PolarHBondContact NZ-OE1 3.24Å; K79-V119 HydrophobicContact CB-CG2 4.47Å; K79-V119 HydrophobicContact CD-CG1 3.92Å
80	I	93.2	Very high	89.8	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-69	-42	172.7	-73.8	172.7	0	0	0	111.5	L26 I27 L76 K77 R78 V83 A84 I97 I100 L101	L26-I80 HydrophobicContact CD2-CG2 3.81Å; I27-I80 HydrophobicContact CD1-CD1 3.78Å; I27-I80 HydrophobicContact CG1-CD1 4.24Å; L76-I80 HydrophobicContact CD1-CD1 3.82Å; L76-I80 HydrophobicContact CD1-CG1 4.33Å; L76-I80 HydrophobicContact CG-CD1 4.05Å; L76-I80 WeakPolarHBondContact O-CB 3.4Å; L76-I80 WeakPolarHBondContact O-CG1 3.1Å; L76-I80 PolarHBondContact O-N 2.92Å; K77-I80 PolarHBondContact O-N 3.49Å; R78-I80 VanDerWaalsContact C-N 3.32Å; R78-I80 PolarHBondContact O-N 2.99Å; I80-V83 PolarHBondContact O-N 3.35Å; I80-A84 WeakPolarHBondContact O-CB 3.38Å; I80-A84 PolarHBondContact O-N 2.79Å; I80-I97 HydrophobicContact CD1-CG2 4.2Å; I80-I97 HydrophobicContact CG1-CG2 4.19Å; I80-I97 HydrophobicContact CG2-CD1 4.06Å; I80-I97 HydrophobicContact CG2-CG1 4.14Å; I80-I97 HydrophobicContact CG2-CG2 4.26Å; I80-I100 HydrophobicContact CG1-CG2 4.27Å; I80-L101 HydrophobicContact CD1-CD2 3.85Å; I80-L101 HydrophobicContact CD1-CG 4.1Å
81	D	92	Very high	89.8	Confident	33 Å²	33	52.6 Å²	52.6	18%	0.176	25%	0.251	C	S	.	.	H	α-helix	trans	-66.6	-40.4	176.6	-74.8	-23.9	0	0	0	111.7	K77 R78 V83 A84 Q85	K77-D81 IonicContact NZ-OD2 3.74Å; K77-D81 PolarHBondContact NZ-OD2 2.93Å; K77-D81 WeakPolarHBondContact O-CB 3.43Å; K77-D81 PolarHBondContact O-N 2.83Å; R78-D81 PolarHBondContact O-N 2.96Å; D81-V83 VanDerWaalsContact C-N 3.33Å; D81-V83 PolarHBondContact O-N 2.75Å; D81-A84 WeakPolarHBondContact O-CB 3.42Å; D81-A84 PolarHBondContact O-N 3.02Å; D81-A84 VanDerWaalsContact O-N 3.08Å; D81-Q85 WeakPolarHBondContact O-CB 3.44Å; D81-Q85 VanDerWaalsContact O-CG 3.28Å; D81-Q85 WeakPolarHBondContact O-CG 3.44Å; D81-Q85 PolarHBondContact O-N 2.86Å
82	E	92.3	Very high	90.1	Very high	46 Å²	46	53.4 Å²	53.4	22%	0.215	26%	0.255	C	S	.	.	H	α-helix	trans	-56	-46.9	171.5	-75.4	167.3	-157.9	0	0	111.1	R78 K79 A84 Q85 N86 W120	R78-E82 WeakPolarHBondContact O-CG 3.36Å; R78-E82 PolarHBondContact O-N 2.95Å; K79-E82 VanDerWaalsContact CD-OE2 3.23Å; K79-E82 WeakPolarHBondContact CD-OE2 3.16Å; K79-E82 IonicContact NZ-OE2 3.74Å; E82-A84 VanDerWaalsContact C-N 3.35Å; E82-Q85 PolarHBondContact O-N 2.82Å; E82-N86 WeakPolarHBondContact O-CB 3.47Å; E82-N86 PolarHBondContact O-N 3.33Å; E82-N86 PolarHBondContact O-ND2 3.06Å; E82-W120 HydrophobicContact CB-CB 4.18Å
83	V	92.1	Very high	90.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-39.4	173.4	163.6	0	0	0	0	111.6	K79 I80 D81 Q85 V87 R93 R96 I97 I100 G118 W120	K79-V83 PolarHBondContact O-N 3.38Å; I80-V83 PolarHBondContact O-N 3.35Å; D81-V83 VanDerWaalsContact C-N 3.33Å; D81-V83 PolarHBondContact O-N 2.75Å; V83-Q85 VanDerWaalsContact C-N 3.34Å; V83-Q85 PolarHBondContact O-N 3.1Å; V83-V87 HydrophobicContact CB-CG2 4.37Å; V83-V87 HydrophobicContact CG1-CB 4.2Å; V83-V87 HydrophobicContact CG1-CG2 3.9Å; V83-V87 HydrophobicContact CG2-CG2 4.45Å; V83-V87 WeakPolarHBondContact O-CA 3.39Å; V83-V87 WeakPolarHBondContact O-CB 3.16Å; V83-V87 WeakPolarHBondContact O-CG2 3.38Å; V83-V87 PolarHBondContact O-N 3.36Å; V83-R93 HydrophobicContact CG1-CG 4.13Å; V83-R96 HydrophobicContact CG1-CB 3.9Å; V83-I97 HydrophobicContact CB-CG1 4.4Å; V83-I97 HydrophobicContact CG1-CD1 4.33Å; V83-I97 HydrophobicContact CG1-CG1 3.73Å; V83-I100 HydrophobicContact CB-CD1 4.42Å; V83-I100 HydrophobicContact CG2-CD1 3.64Å; V83-G118 WeakPolarHBondContact CG2-O 3.5Å; V83-W120 HydrophobicContact CG2-CB 4.04Å
84	A	91.3	Very high	90.3	Very high	18 Å²	18	59 Å²	59	15%	0.149	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-37.7	179.7	0	0	0	0	0	113.1	L26 I80 D81 E82 R93	L26-A84 HydrophobicContact CD2-CB 3.58Å; I80-A84 WeakPolarHBondContact O-CB 3.38Å; I80-A84 PolarHBondContact O-N 2.79Å; D81-A84 WeakPolarHBondContact O-CB 3.42Å; D81-A84 PolarHBondContact O-N 3.02Å; D81-A84 VanDerWaalsContact O-N 3.08Å; E82-A84 VanDerWaalsContact C-N 3.35Å; A84-R93 VanDerWaalsContact O-CZ 3.23Å; A84-R93 PolarHBondContact O-NE 2.92Å; A84-R93 PolarHBondContact O-NH2 2.83Å
85	Q	90.3	Very high	90.3	Very high	146 Å²	146	61.1 Å²	61.1	68%	0.682	29%	0.289	S	S	*	.	H	α-helix	trans	-75.2	-46.4	178	-68.8	172	25.3	0	0	112.3	D81 E82 V83	D81-Q85 WeakPolarHBondContact O-CB 3.44Å; D81-Q85 VanDerWaalsContact O-CG 3.28Å; D81-Q85 WeakPolarHBondContact O-CG 3.44Å; D81-Q85 PolarHBondContact O-N 2.86Å; E82-Q85 PolarHBondContact O-N 2.82Å; V83-Q85 VanDerWaalsContact C-N 3.34Å; V83-Q85 PolarHBondContact O-N 3.1Å
86	N	91.5	Very high	90.4	Very high	62 Å²	62	63 Å²	63	33%	0.332	29%	0.294	S	S	.	.	H	α-helix	trans	-92.9	-29	-169.4	-66.5	-83.1	0	0	0	114.1	E82 H88 W120	E82-N86 WeakPolarHBondContact O-CB 3.47Å; E82-N86 PolarHBondContact O-N 3.33Å; E82-N86 PolarHBondContact O-ND2 3.06Å; N86-H88 PolarHBondContact O-CE1 2.77Å; N86-H88 PolarHBondContact O-N 2.93Å; N86-H88 PolarHBondContact O-ND1 2.83Å; N86-W120 HydrophobicContact CB-CD2 3.39Å; N86-W120 HydrophobicContact CB-CE3 3.74Å; N86-W120 HydrophobicContact CB-CG 3.88Å; N86-W120 HydrophobicContact CB-CH2 3.94Å; N86-W120 HydrophobicContact CB-CZ2 3.61Å; N86-W120 HydrophobicContact CB-CZ3 3.99Å
87	V	89.2	Confident	90.5	Very high	2 Å²	2	63 Å²	63	1%	0.012	29%	0.294	C	S	.	.			trans	-87.6	116.2	-178.2	-176.6	0	0	0	0	110	V83 Q92 R93 W120	V83-V87 HydrophobicContact CB-CG2 4.37Å; V83-V87 HydrophobicContact CG1-CB 4.2Å; V83-V87 HydrophobicContact CG1-CG2 3.9Å; V83-V87 HydrophobicContact CG2-CG2 4.45Å; V83-V87 WeakPolarHBondContact O-CA 3.39Å; V83-V87 WeakPolarHBondContact O-CB 3.16Å; V83-V87 WeakPolarHBondContact O-CG2 3.38Å; V83-V87 PolarHBondContact O-N 3.36Å; V87-Q92 HydrophobicContact CG1-CB 4.2Å; V87-Q92 HydrophobicContact CG1-CG 3.91Å; V87-R93 HydrophobicContact CB-CB 4.4Å; V87-R93 HydrophobicContact CG1-CB 4.16Å; V87-R93 PolarHBondContact O-NE 2.82Å; V87-R93 PolarHBondContact O-NH2 3.47Å; V87-W120 HydrophobicContact CG2-CE3 3.6Å; V87-W120 HydrophobicContact CG2-CZ3 3.85Å
88	H	85.5	Confident	90.4	Very high	150 Å²	150	63.3 Å²	63.3	69%	0.694	30%	0.297	S	S	*	.			trans	-86.3	142.2	178.7	-64.9	68.8	0	0	0	110	N86	N86-H88 PolarHBondContact O-CE1 2.77Å; N86-H88 PolarHBondContact O-N 2.93Å; N86-H88 PolarHBondContact O-ND1 2.83Å
89	G	88.5	Confident	90.4	Very high	45 Å²	45	64.5 Å²	64.5	46%	0.464	31%	0.306	S	S	.	.	S	Bend	trans	90.9	125.5	-177.8	0	0	0	0	0	114.2	H91 R93	G89-H91 PolarHBondContact O-N 3.22Å; G89-R93 VanDerWaalsContact O-CB 3.31Å; G89-R93 WeakPolarHBondContact O-CB 3.48Å; G89-R93 PolarHBondContact O-N 3.33Å; G89-R93 VanDerWaalsContact O-N 3.07Å
90	R	86.1	Confident	90.4	Very high	179 Å²	179	63.5 Å²	63.5	68%	0.675	30%	0.302	S	S	*	.	H	α-helix	trans	-57.4	-42.8	-175.1	-173.6	-179.2	-177.1	173.8	3.7	113.1	S22 K94	S22-R90 PolarHBondContact O-NH2 3.46Å; R90-K94 WeakPolarHBondContact O-CB 3.46Å; R90-K94 PolarHBondContact O-N 2.85Å; R90-K94 VanDerWaalsContact O-N 3.09Å
91	H	87.3	Confident	90.2	Very high	135 Å²	135	63.7 Å²	63.7	63%	0.625	30%	0.303	S	S	*	.	H	α-helix	trans	-71.8	-48.1	-175.6	-167.5	10.4	0	0	0	112.5	G89 R93 K94 Q95	G89-H91 PolarHBondContact O-N 3.22Å; H91-R93 PolarHBondContact O-N 3.01Å; H91-K94 PolarHBondContact O-N 3.47Å; H91-Q95 PolarHBondContact CE1-NE2 3.25Å; H91-Q95 PolarHBondContact NE2-NE2 3.08Å; H91-Q95 WeakPolarHBondContact O-CG 3.17Å; H91-Q95 PolarHBondContact O-N 3.28Å
92	Q	89.6	Confident	90.1	Very high	96 Å²	96	67.4 Å²	67.4	45%	0.449	32%	0.319	S	S	.	.	H	α-helix	trans	-64.7	-39.9	179.5	-171.6	-179.9	66.5	0	0	111.7	V87 Q95 R96	V87-Q92 HydrophobicContact CG1-CB 4.2Å; V87-Q92 HydrophobicContact CG1-CG 3.91Å; Q92-Q95 PolarHBondContact O-N 3.3Å; Q92-R96 PolarHBondContact O-N 3.46Å
93	R	91.9	Very high	89.8	Confident	75 Å²	75	65.9 Å²	65.9	28%	0.283	32%	0.316	S	S	.	.	H	α-helix	trans	-59.9	-47.1	172.6	-175.6	-173.3	-63.3	161.6	1	111.7	V83 A84 V87 G89 H91 R96 I97	V83-R93 HydrophobicContact CG1-CG 4.13Å; A84-R93 VanDerWaalsContact O-CZ 3.23Å; A84-R93 PolarHBondContact O-NE 2.92Å; A84-R93 PolarHBondContact O-NH2 2.83Å; V87-R93 HydrophobicContact CB-CB 4.4Å; V87-R93 HydrophobicContact CG1-CB 4.16Å; V87-R93 PolarHBondContact O-NE 2.82Å; V87-R93 PolarHBondContact O-NH2 3.47Å; G89-R93 VanDerWaalsContact O-CB 3.31Å; G89-R93 WeakPolarHBondContact O-CB 3.48Å; G89-R93 PolarHBondContact O-N 3.33Å; G89-R93 VanDerWaalsContact O-N 3.07Å; H91-R93 PolarHBondContact O-N 3.01Å; R93-R96 PolarHBondContact O-N 2.98Å; R93-I97 HydrophobicContact CG-CD1 3.9Å; R93-I97 VanDerWaalsContact O-CG1 3.32Å; R93-I97 WeakPolarHBondContact O-CG1 3.19Å; R93-I97 PolarHBondContact O-N 3.46Å
94	K	89.2	Confident	89.6	Confident	59 Å²	59	65.9 Å²	65.9	26%	0.257	32%	0.316	S	S	.	.	H	α-helix	trans	-60.8	-49.2	177.3	-178.9	169.8	177.5	173.1	0	111.5	R90 H91 R96 I97 D98	R90-K94 WeakPolarHBondContact O-CB 3.46Å; R90-K94 PolarHBondContact O-N 2.85Å; R90-K94 VanDerWaalsContact O-N 3.09Å; H91-K94 PolarHBondContact O-N 3.47Å; K94-R96 PolarHBondContact O-N 2.92Å; K94-I97 PolarHBondContact O-N 2.63Å; K94-D98 WeakPolarHBondContact CG-OD2 3.41Å; K94-D98 WeakPolarHBondContact O-CB 3.07Å; K94-D98 VanDerWaalsContact O-CG 3.27Å; K94-D98 PolarHBondContact O-N 2.84Å
95	Q	90.6	Very high	89.1	Confident	95 Å²	95	65.5 Å²	65.5	44%	0.444	31%	0.312	S	S	.	.	H	α-helix	trans	-54.9	-47	176.3	-73.9	173	-9.3	0	0	112.3	H91 Q92 D98 M99	H91-Q95 PolarHBondContact CE1-NE2 3.25Å; H91-Q95 PolarHBondContact NE2-NE2 3.08Å; H91-Q95 WeakPolarHBondContact O-CG 3.17Å; H91-Q95 PolarHBondContact O-N 3.28Å; Q92-Q95 PolarHBondContact O-N 3.3Å; Q95-D98 PolarHBondContact O-N 3.46Å; Q95-M99 WeakPolarHBondContact O-CG 3.37Å; Q95-M99 PolarHBondContact O-N 2.81Å
96	R	92.2	Very high	88.6	Confident	73 Å²	73	65.1 Å²	65.1	28%	0.275	31%	0.314	S	S	.	.	H	α-helix	trans	-67.1	-38.6	179.3	-74.9	-177.2	179	-155.3	7.4	113.1	V83 Q92 R93 K94 D98 M99 I100	V83-R96 HydrophobicContact CG1-CB 3.9Å; Q92-R96 PolarHBondContact O-N 3.46Å; R93-R96 PolarHBondContact O-N 2.98Å; K94-R96 PolarHBondContact O-N 2.92Å; R96-D98 VanDerWaalsContact C-N 3.33Å; R96-M99 PolarHBondContact O-N 2.89Å; R96-I100 WeakPolarHBondContact O-CG1 3.31Å; R96-I100 PolarHBondContact O-N 3.45Å
97	I	92.4	Very high	87.8	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-63.8	-41.1	173.1	-69.3	168.6	0	0	0	110.4	A24 K25 L26 I80 V83 R93 K94 M99 I100 L101	A24-I97 HydrophobicContact CB-CD1 4.02Å; K25-I97 HydrophobicContact CB-CG2 3.99Å; L26-I97 HydrophobicContact CD2-CD1 4.03Å; I80-I97 HydrophobicContact CD1-CG2 4.2Å; I80-I97 HydrophobicContact CG1-CG2 4.19Å; I80-I97 HydrophobicContact CG2-CD1 4.06Å; I80-I97 HydrophobicContact CG2-CG1 4.14Å; I80-I97 HydrophobicContact CG2-CG2 4.26Å; V83-I97 HydrophobicContact CB-CG1 4.4Å; V83-I97 HydrophobicContact CG1-CD1 4.33Å; V83-I97 HydrophobicContact CG1-CG1 3.73Å; R93-I97 HydrophobicContact CG-CD1 3.9Å; R93-I97 VanDerWaalsContact O-CG1 3.32Å; R93-I97 WeakPolarHBondContact O-CG1 3.19Å; R93-I97 PolarHBondContact O-N 3.46Å; K94-I97 PolarHBondContact O-N 2.63Å; I97-M99 VanDerWaalsContact C-N 3.34Å; I97-M99 PolarHBondContact O-N 3.11Å; I97-I100 PolarHBondContact O-N 3.28Å; I97-L101 HydrophobicContact CG2-CD1 3.82Å; I97-L101 HydrophobicContact CG2-CG 4.37Å; I97-L101 WeakPolarHBondContact O-CB 3.49Å; I97-L101 VanDerWaalsContact O-CG 3.31Å; I97-L101 WeakPolarHBondContact O-CG 3.34Å; I97-L101 PolarHBondContact O-N 3.12Å
98	D	90.4	Very high	86.9	Confident	39 Å²	39	65.2 Å²	65.2	21%	0.209	32%	0.32	C	S	.	.	H	α-helix	trans	-61.1	-41.2	176	-70.3	-35.8	0	0	0	111.4	K25 K94 Q95 R96 L101 E102	K25-D98 WeakPolarHBondContact CD-OD1 3.34Å; K25-D98 WeakPolarHBondContact CE-OD1 3.28Å; K25-D98 IonicContact NZ-OD1 3.58Å; K25-D98 PolarHBondContact NZ-OD1 2.93Å; K94-D98 WeakPolarHBondContact CG-OD2 3.41Å; K94-D98 WeakPolarHBondContact O-CB 3.07Å; K94-D98 VanDerWaalsContact O-CG 3.27Å; K94-D98 PolarHBondContact O-N 2.84Å; Q95-D98 PolarHBondContact O-N 3.46Å; R96-D98 VanDerWaalsContact C-N 3.33Å; D98-L101 PolarHBondContact O-N 3.17Å; D98-E102 WeakPolarHBondContact O-CB 3.34Å; D98-E102 PolarHBondContact O-N 3.18Å
99	M	90.7	Very high	86.1	Confident	79 Å²	79	61 Å²	61	39%	0.389	30%	0.303	S	S	.	.	H	α-helix	trans	-64.2	-40.9	174.6	-66.4	167.3	69	0	0	113.3	Q95 R96 I97 E102 G103 P117	Q95-M99 WeakPolarHBondContact O-CG 3.37Å; Q95-M99 PolarHBondContact O-N 2.81Å; R96-M99 PolarHBondContact O-N 2.89Å; I97-M99 VanDerWaalsContact C-N 3.34Å; I97-M99 PolarHBondContact O-N 3.11Å; M99-E102 PolarHBondContact O-N 3.38Å; M99-G103 PolarHBondContact O-N 3.29Å; M99-P117 WeakPolarHBondContact CB-O 3.28Å; M99-P117 HydrophobicContact CE-CB 3.46Å; M99-P117 VanDerWaalsContact CE-CB 3.46Å
100	I	91.5	Very high	85.5	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-43.5	175.9	-66.3	168.5	0	0	0	110.4	L76 I80 V83 R96 I97 E102 G103 A104 W113 V119	L76-I100 HydrophobicContact CD1-CG2 3.69Å; I80-I100 HydrophobicContact CG1-CG2 4.27Å; V83-I100 HydrophobicContact CB-CD1 4.42Å; V83-I100 HydrophobicContact CG2-CD1 3.64Å; R96-I100 WeakPolarHBondContact O-CG1 3.31Å; R96-I100 PolarHBondContact O-N 3.45Å; I97-I100 PolarHBondContact O-N 3.28Å; I100-E102 VanDerWaalsContact C-N 3.33Å; I100-G103 PolarHBondContact O-N 3.04Å; I100-A104 VanDerWaalsContact O-CB 3.28Å; I100-A104 WeakPolarHBondContact O-CB 3.28Å; I100-A104 PolarHBondContact O-N 2.88Å; I100-W113 HydrophobicContact CG2-CZ3 4.26Å; I100-V119 HydrophobicContact CD1-CG2 4.09Å; I100-V119 HydrophobicContact CG1-CG2 3.83Å
101	L	90.7	Very high	85.3	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-66.3	-35	178.9	-72.4	169.1	0	0	0	112.5	F17 K25 L76 I80 I97 D98 A105	F17-L101 HydrophobicContact CE1-CD1 4.23Å; F17-L101 HydrophobicContact CE1-CD2 3.75Å; F17-L101 HydrophobicContact CZ-CD2 3.66Å; K25-L101 HydrophobicContact CB-CD1 3.98Å; K25-L101 HydrophobicContact CD-CD1 3.55Å; K25-L101 HydrophobicContact CG-CD1 4.46Å; L76-L101 HydrophobicContact CD1-CD2 4.2Å; L76-L101 HydrophobicContact CD2-CD2 4.17Å; I80-L101 HydrophobicContact CD1-CD2 3.85Å; I80-L101 HydrophobicContact CD1-CG 4.1Å; I97-L101 HydrophobicContact CG2-CD1 3.82Å; I97-L101 HydrophobicContact CG2-CG 4.37Å; I97-L101 WeakPolarHBondContact O-CB 3.49Å; I97-L101 VanDerWaalsContact O-CG 3.31Å; I97-L101 WeakPolarHBondContact O-CG 3.34Å; I97-L101 PolarHBondContact O-N 3.12Å; D98-L101 PolarHBondContact O-N 3.17Å; L101-A105 WeakPolarHBondContact O-CB 3.46Å; L101-A105 PolarHBondContact O-N 2.99Å
102	E	87.9	Confident	85.2	Confident	112 Å²	112	56.1 Å²	56.1	52%	0.523	28%	0.284	S	S	.	.	H	α-helix	trans	-67.1	-46.7	173.5	-175.2	168.3	-149.1	0	0	111.4	D98 M99 I100 A105 L106	D98-E102 WeakPolarHBondContact O-CB 3.34Å; D98-E102 PolarHBondContact O-N 3.18Å; M99-E102 PolarHBondContact O-N 3.38Å; I100-E102 VanDerWaalsContact C-N 3.33Å; E102-A105 PolarHBondContact O-N 3.41Å; E102-L106 HydrophobicContact CG-CD1 4.2Å; E102-L106 WeakPolarHBondContact O-CG 3.34Å; E102-L106 PolarHBondContact O-N 3.06Å; E102-L106 VanDerWaalsContact O-N 3.09Å
103	G	86.4	Confident	85	Confident	14 Å²	14	52.9 Å²	52.9	14%	0.144	27%	0.268	C	S	.	.	H	α-helix	trans	-59.7	-46.7	174	0	0	0	0	0	112.9	M99 I100 A105 L106 S107 I111	M99-G103 PolarHBondContact O-N 3.29Å; I100-G103 PolarHBondContact O-N 3.04Å; G103-A105 VanDerWaalsContact C-N 3.31Å; G103-A105 PolarHBondContact O-N 3.45Å; G103-L106 PolarHBondContact O-N 3.5Å; G103-L106 VanDerWaalsContact O-N 3.17Å; G103-S107 PolarHBondContact O-N 3.25Å; G103-I111 WeakPolarHBondContact O-CD1 3.32Å
104	A	87.6	Confident	84.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.4	-41.6	175.8	0	0	0	0	0	112.7	F72 L76 I100 G108 W113 M602	F72-A104 HydrophobicContact CE1-CB 4.42Å; F72-A104 HydrophobicContact CZ-CB 3.95Å; L76-A104 HydrophobicContact CD1-CB 3.9Å; L76-A104 HydrophobicContact CD2-CB 4.33Å; I100-A104 VanDerWaalsContact O-CB 3.28Å; I100-A104 WeakPolarHBondContact O-CB 3.28Å; I100-A104 PolarHBondContact O-N 2.88Å; A104-G108 PolarHBondContact O-N 3.39Å; A104-W113 HydrophobicContact CB-CH2 4.26Å; A104-M602 HydrophobicContact CB-SD 4.21Å
105	A	81.9	Confident	84.4	Confident	9 Å²	9	55.8 Å²	55.8	7%	0.074	29%	0.292	C	S	.	.	H	α-helix	trans	-70.9	-28.5	178.3	0	0	0	0	0	113.6	L101 E102 G103 M602 T603 V606	L101-A105 WeakPolarHBondContact O-CB 3.46Å; L101-A105 PolarHBondContact O-N 2.99Å; E102-A105 PolarHBondContact O-N 3.41Å; G103-A105 VanDerWaalsContact C-N 3.31Å; G103-A105 PolarHBondContact O-N 3.45Å; A105-M602 HydrophobicContact CB-CG 4.21Å; A105-T603 PolarHBondContact O-OG1 3.25Å; A105-V606 HydrophobicContact CB-CB 4.28Å; A105-V606 HydrophobicContact CB-CG1 4.45Å; A105-V606 HydrophobicContact CB-CG2 4.23Å
106	L	78.5	Confident	84.1	Confident	138 Å²	138	51.5 Å²	51.5	72%	0.723	27%	0.272	S	S	*	.	H	α-helix	trans	-84.2	-40.4	-178.8	-71.6	171.8	0	0	0	113.5	E102 G103	E102-L106 HydrophobicContact CG-CD1 4.2Å; E102-L106 WeakPolarHBondContact O-CG 3.34Å; E102-L106 PolarHBondContact O-N 3.06Å; E102-L106 VanDerWaalsContact O-N 3.09Å; G103-L106 PolarHBondContact O-N 3.5Å; G103-L106 VanDerWaalsContact O-N 3.17Å
107	S	75.4	Confident	83.8	Confident	64 Å²	64	51.9 Å²	51.9	45%	0.448	28%	0.284	S	S	.	.	H	α-helix	trans	-90.4	-24.3	-175.1	-64.6	0	0	0	0	114.3	G103	G103-S107 PolarHBondContact O-N 3.25Å
108	G	70.8	Confident	83.2	Confident	2 Å²	2	52.6 Å²	52.6	2%	0.021	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	62.4	-153.5	-174.5	0	0	0	0	0	112.5	F72 A104 D110 I111 N599	F72-G108 WeakPolarHBondContact CE2-O 3.4Å; A104-G108 PolarHBondContact O-N 3.39Å; G108-D110 PolarHBondContact O-N 3.17Å; G108-D110 VanDerWaalsContact O-N 3.15Å; G108-I111 WeakPolarHBondContact O-CB 3.33Å; G108-I111 PolarHBondContact O-N 3.09Å; G108-N599 WeakPolarHBondContact CA-OD1 3.39Å
109	D	69.2	Low	82.9	Confident	62 Å²	62	51.2 Å²	51.2	33%	0.332	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-61	-24.9	-173.2	-57.5	-60.5	0	0	0	114.4	I111 S595	D109-I111 PolarHBondContact O-N 3.01Å; D109-S595 VanDerWaalsContact OD2-CB 3.22Å; D109-S595 WeakPolarHBondContact OD2-CB 3.39Å; D109-S595 PolarHBondContact OD2-OG 3.18Å
110	D	75.3	Confident	82.6	Confident	154 Å²	154	50.8 Å²	50.8	82%	0.824	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-81.5	17.9	-179.1	-66.6	-40.4	0	0	0	113.9	G108 D112	G108-D110 PolarHBondContact O-N 3.17Å; G108-D110 VanDerWaalsContact O-N 3.15Å; D110-D112 PolarHBondContact O-N 3.17Å
111	I	81.5	Confident	82.2	Confident	12 Å²	12	56.7 Å²	56.7	6%	0.062	30%	0.304	C	S	.	.			trans	-72.8	123.5	-175.5	-161.1	167.6	0	0	0	113.1	F72 G103 G108 D109 W113 V116	F72-I111 HydrophobicContact CD2-CG2 4.29Å; F72-I111 HydrophobicContact CE2-CB 4.44Å; F72-I111 HydrophobicContact CE2-CG2 3.56Å; F72-I111 HydrophobicContact CZ-CG2 4.44Å; G103-I111 WeakPolarHBondContact O-CD1 3.32Å; G108-I111 WeakPolarHBondContact O-CB 3.33Å; G108-I111 PolarHBondContact O-N 3.09Å; D109-I111 PolarHBondContact O-N 3.01Å; I111-W113 HydrophobicContact CD1-CZ3 4.45Å; I111-W113 HydrophobicContact CG2-CD2 3.73Å; I111-W113 HydrophobicContact CG2-CE3 4.31Å; I111-W113 HydrophobicContact CG2-CG 4.13Å; I111-W113 HydrophobicContact CG2-CH2 4.09Å; I111-W113 HydrophobicContact CG2-CZ2 3.51Å; I111-W113 HydrophobicContact CG2-CZ3 4.47Å; I111-W113 PolarHBondContact O-N 2.69Å; I111-W113 VanDerWaalsContact O-N 3.11Å; I111-V116 HydrophobicContact CD1-CG2 3.36Å; I111-V116 HydrophobicContact CG1-CG2 3.47Å; I111-V116 VanDerWaalsContact CG1-CG2 3.47Å
112	D	85.9	Confident	81	Confident	91 Å²	91	58.6 Å²	58.6	49%	0.487	33%	0.325	S	S	.	.			trans	-77.8	94	162.7	-178.7	-7.8	0	0	0	109.2	D110 E114 T115 V116	D110-D112 PolarHBondContact O-N 3.17Å; D112-E114 PolarHBondContact O-N 3.46Å; D112-E114 WeakPolarHBondContact OD1-CB 3.49Å; D112-E114 PolarHBondContact OD1-N 2.85Å; D112-T115 HydrophobicContact CB-CG2 4.07Å; D112-T115 PolarHBondContact O-N 2.88Å; D112-T115 PolarHBondContact O-OG1 3.36Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.46Å; D112-V116 PolarHBondContact O-N 2.9Å
113	W	84.6	Confident	79.3	Confident	28 Å²	28	58.8 Å²	58.8	11%	0.106	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-22.3	177.8	-66.5	101.1	0	0	0	114.9	F72 I75 L76 K79 I100 A104 I111	F72-W113 AromaticContact CD2-CZ2 3.84Å; F72-W113 HydrophobicContact CD2-CZ2 3.84Å; F72-W113 HydrophobicContact CE1-CH2 4.44Å; F72-W113 HydrophobicContact CE1-CZ2 4.47Å; F72-W113 HydrophobicContact CE2-CH2 4.04Å; F72-W113 AromaticContact CE2-CZ2 3.55Å; F72-W113 HydrophobicContact CE2-CZ2 3.55Å; F72-W113 HydrophobicContact CG-CZ2 4.44Å; F72-W113 AromaticContact CZ-CH2 3.93Å; F72-W113 HydrophobicContact CZ-CH2 3.93Å; F72-W113 AromaticContact CZ-CZ2 3.91Å; F72-W113 HydrophobicContact CZ-CZ2 3.91Å; I75-W113 HydrophobicContact CB-CZ2 4.09Å; I75-W113 HydrophobicContact CG2-CD2 3.66Å; I75-W113 VanDerWaalsContact CG2-CE2 3.45Å; I75-W113 HydrophobicContact CG2-CE3 4.43Å; I75-W113 HydrophobicContact CG2-CG 3.75Å; I75-W113 HydrophobicContact CG2-CZ2 4.08Å; L76-W113 HydrophobicContact CB-CH2 3.66Å; L76-W113 HydrophobicContact CB-CZ2 4.32Å; L76-W113 HydrophobicContact CB-CZ3 4.38Å; L76-W113 HydrophobicContact CD1-CH2 3.87Å; L76-W113 HydrophobicContact CD1-CZ3 3.95Å; L76-W113 HydrophobicContact CG-CH2 4.32Å; K79-W113 HydrophobicContact CG-CD2 4.36Å; K79-W113 HydrophobicContact CG-CE3 3.88Å; I100-W113 HydrophobicContact CG2-CZ3 4.26Å; A104-W113 HydrophobicContact CB-CH2 4.26Å; I111-W113 HydrophobicContact CD1-CZ3 4.45Å; I111-W113 HydrophobicContact CG2-CD2 3.73Å; I111-W113 HydrophobicContact CG2-CE3 4.31Å; I111-W113 HydrophobicContact CG2-CG 4.13Å; I111-W113 HydrophobicContact CG2-CH2 4.09Å; I111-W113 HydrophobicContact CG2-CZ2 3.51Å; I111-W113 HydrophobicContact CG2-CZ3 4.47Å; I111-W113 PolarHBondContact O-N 2.69Å; I111-W113 VanDerWaalsContact O-N 3.11Å
114	E	83.2	Confident	77.2	Confident	101 Å²	101	67.2 Å²	67.2	47%	0.472	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-11.6	176.9	-62.8	-57.1	129.1	0	0	112.6	K79 D112 K121	K79-E114 IonicContact NZ-OE1 3.17Å; K79-E114 PolarHBondContact NZ-OE1 3.24Å; D112-E114 PolarHBondContact O-N 3.46Å; D112-E114 WeakPolarHBondContact OD1-CB 3.49Å; D112-E114 PolarHBondContact OD1-N 2.85Å; E114-K121 WeakPolarHBondContact O-CE 3.49Å; E114-K121 PolarHBondContact O-NZ 2.88Å
115	T	85.4	Confident	74.6	Confident	93 Å²	93	71.5 Å²	71.5	57%	0.571	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-25.1	171.7	65.2	0	0	0	0	113.4	D112	D112-T115 HydrophobicContact CB-CG2 4.07Å; D112-T115 PolarHBondContact O-N 2.88Å; D112-T115 PolarHBondContact O-OG1 3.36Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.46Å
116	V	84.8	Confident	72.2	Confident	6 Å²	6	78.5 Å²	78.5	4%	0.036	44%	0.438	C	S	.	.	S	Bend	trans	-59.3	125.8	-170.1	-178.7	0	0	0	0	112.8	I111 D112 G118 V119	I111-V116 HydrophobicContact CD1-CG2 3.36Å; I111-V116 HydrophobicContact CG1-CG2 3.47Å; I111-V116 VanDerWaalsContact CG1-CG2 3.47Å; D112-V116 PolarHBondContact O-N 2.9Å; V116-G118 PolarHBondContact O-N 2.82Å; V116-V119 HydrophobicContact CB-CG2 3.71Å; V116-V119 HydrophobicContact CG1-CG2 3.97Å; V116-V119 PolarHBondContact O-N 3.06Å
117	P	84.7	Confident	70	Confident	81 Å²	81	78.8 Å²	78.8	53%	0.526	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	137.5	173.6	-25.2	35.3	0	0	0	112.6	M99 V119	M99-P117 WeakPolarHBondContact CB-O 3.28Å; M99-P117 HydrophobicContact CE-CB 3.46Å; M99-P117 VanDerWaalsContact CE-CB 3.46Å; P117-V119 VanDerWaalsContact C-N 3.33Å; P117-V119 PolarHBondContact O-N 2.67Å
118	G	80.3	Confident	67.8	Low	16 Å²	16	79.8 Å²	79.8	17%	0.165	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.4	-20.6	177.9	0	0	0	0	0	115.2	V83 V116	V83-G118 WeakPolarHBondContact CG2-O 3.5Å; V116-G118 PolarHBondContact O-N 2.82Å
119	V	85.6	Confident	65.9	Low	9 Å²	9	91 Å²	91	6%	0.055	48%	0.483	C	S	.	.			trans	-54.9	139	172.8	171.3	0	0	0	0	110.8	K79 I100 V116 P117 K121	K79-V119 HydrophobicContact CB-CG2 4.47Å; K79-V119 HydrophobicContact CD-CG1 3.92Å; I100-V119 HydrophobicContact CD1-CG2 4.09Å; I100-V119 HydrophobicContact CG1-CG2 3.83Å; V116-V119 HydrophobicContact CB-CG2 3.71Å; V116-V119 HydrophobicContact CG1-CG2 3.97Å; V116-V119 PolarHBondContact O-N 3.06Å; P117-V119 VanDerWaalsContact C-N 3.33Å; P117-V119 PolarHBondContact O-N 2.67Å; V119-K121 PolarHBondContact O-N 2.9Å
120	W	84.3	Confident	64.2	Low	71 Å²	71	96.2 Å²	96.2	27%	0.269	51%	0.505	S	S	.	.			trans	-74	93.4	177.5	-177.2	-99.3	0	0	0	111.1	E82 V83 N86 V87 G122	E82-W120 HydrophobicContact CB-CB 4.18Å; V83-W120 HydrophobicContact CG2-CB 4.04Å; N86-W120 HydrophobicContact CB-CD2 3.39Å; N86-W120 HydrophobicContact CB-CE3 3.74Å; N86-W120 HydrophobicContact CB-CG 3.88Å; N86-W120 HydrophobicContact CB-CH2 3.94Å; N86-W120 HydrophobicContact CB-CZ2 3.61Å; N86-W120 HydrophobicContact CB-CZ3 3.99Å; V87-W120 HydrophobicContact CG2-CE3 3.6Å; V87-W120 HydrophobicContact CG2-CZ3 3.85Å; W120-G122 PolarHBondContact O-N 2.96Å; W120-G122 VanDerWaalsContact O-N 3.13Å
121	K	81.8	Confident	62	Low	123 Å²	123	97.6 Å²	97.6	54%	0.535	50%	0.499	S	S	.	.			trans	-75.1	99	165	-61.2	-175.7	-179	-172.5	0	108	E114 V119 S123	E114-K121 WeakPolarHBondContact O-CE 3.49Å; E114-K121 PolarHBondContact O-NZ 2.88Å; V119-K121 PolarHBondContact O-N 2.9Å; K121-S123 PolarHBondContact O-N 3.44Å
122	G	66.8	Low	59.6	Low	45 Å²	45	102.4 Å²	102.4	46%	0.464	53%	0.534	S	S	.	.			trans	-51.2	132.6	170.7	0	0	0	0	0	109.5	W120 K124	W120-G122 PolarHBondContact O-N 2.96Å; W120-G122 VanDerWaalsContact O-N 3.13Å; G122-K124 PolarHBondContact O-N 3.08Å
123	S	50.6	Low	57.2	Low	115 Å²	115	104.4 Å²	104.4	80%	0.804	54%	0.544	S	S	*	.			trans	-53.4	116.4	177	-68	0	0	0	0	108.5	K121 S125	K121-S123 PolarHBondContact O-N 3.44Å; S123-S125 VanDerWaalsContact C-N 3.34Å; S123-S125 PolarHBondContact O-N 3.32Å
124	K	43.6	Very low	54.9	Low	192 Å²	192	108 Å²	108	84%	0.835	57%	0.573	S	S	*	*			trans	-52.9	101.2	175.2	-71.1	-174.2	178.2	-175.7	0	107.8	G122 N126	G122-K124 PolarHBondContact O-N 3.08Å; K124-N126 PolarHBondContact O-N 3.44Å
125	S	33.2	Very low	52.7	Low	89 Å²	89	108.1 Å²	108.1	62%	0.622	59%	0.585	S	S	*	*			trans	-70	93.9	165.8	59.9	0	0	0	0	105.9	S123 K127	S123-S125 VanDerWaalsContact C-N 3.34Å; S123-S125 PolarHBondContact O-N 3.32Å; S125-K127 PolarHBondContact O-N 3.2Å
126	N	30.9	Very low	50.3	Low	157 Å²	157	109.4 Å²	109.4	84%	0.84	59%	0.589	S	S	*	*			trans	-64.8	44.9	155.8	-81.3	-3.7	0	0	0	110.1	K124 S128	K124-N126 PolarHBondContact O-N 3.44Å; N126-S128 VanDerWaalsContact C-N 3.28Å; N126-S128 PolarHBondContact O-N 2.82Å
127	K	32.6	Very low	48.2	Very low	144 Å²	144	113.2 Å²	113.2	63%	0.626	62%	0.615	S	S	*	*			trans	-85.5	86.2	155.7	-82.1	-177.9	177.6	171.5	0	105.7	S125 Y129	S125-K127 PolarHBondContact O-N 3.2Å; K127-Y129 PolarHBondContact O-N 3.41Å
128	S	28.5	Very low	46.1	Very low	85 Å²	85	116.1 Å²	116.1	59%	0.594	63%	0.626	S	S	*	*			trans	-31.4	122.4	145.3	169.9	0	0	0	0	109.6	N126 H130	N126-S128 VanDerWaalsContact C-N 3.28Å; N126-S128 PolarHBondContact O-N 2.82Å; S128-H130 PolarHBondContact O-N 2.84Å; S128-H130 PolarHBondContact OG-N 3.24Å; S128-H130 VanDerWaalsContact OG-N 3.16Å
129	Y	31.4	Very low	44.1	Very low	236 Å²	236	126.5 Å²	126.5	93%	0.925	66%	0.661	S	S	*	*	S	Bend	trans	-76	35.6	168.3	-77.4	-81.6	0	0	0	111.6	K127	K127-Y129 PolarHBondContact O-N 3.41Å
130	H	32.6	Very low	41.7	Very low	172 Å²	172	129.6 Å²	129.6	80%	0.796	69%	0.694	S	S	*	*			trans	-95.3	74.4	149.2	-89.4	-87.7	0	0	0	109	S128	S128-H130 PolarHBondContact O-N 2.84Å; S128-H130 PolarHBondContact OG-N 3.24Å; S128-H130 VanDerWaalsContact OG-N 3.16Å
131	R	30.6	Very low	39.7	Very low	183 Å²	183	136 Å²	136	69%	0.691	72%	0.724	S	S	*	*			trans	-116.1	95.1	157.3	-174.7	173.5	-73.6	-140	-8.4	109.1	L133	R131-L133 HydrophobicContact CG-CD1 3.81Å; R131-L133 HydrophobicContact CG-CG 4.27Å; R131-L133 PolarHBondContact O-N 3.47Å; R131-L133 VanDerWaalsContact O-N 3.08Å
132	S	30.2	Very low	37.6	Very low	114 Å²	114	135.6 Å²	135.6	80%	0.797	73%	0.734	S	S	*	*			trans	-50.2	110.6	162.2	-41.7	0	0	0	0	109.7
133	L	35.6	Very low	35.8	Very low	133 Å²	133	141.1 Å²	141.1	70%	0.696	75%	0.752	S	S	*	*			trans	-133.6	88.2	163.7	-85.6	145.9	0	0	0	104	R131	R131-L133 HydrophobicContact CG-CD1 3.81Å; R131-L133 HydrophobicContact CG-CG 4.27Å; R131-L133 PolarHBondContact O-N 3.47Å; R131-L133 VanDerWaalsContact O-N 3.08Å
134	S	35.3	Very low	35.1	Very low	103 Å²	103	143.5 Å²	143.5	72%	0.72	75%	0.754	S	S	*	*				54.7	109.3	85.1	76.8	0	0	0	0	111.4
135	S	36.9	Very low	34.3	Very low	103 Å²	103	139.7 Å²	139.7	72%	0.72	75%	0.752	S	S	*	*			trans	-76.9	176.4	-158.3	-158.5	0	0	0	0	116.6
136	D	35.1	Very low	34.3	Very low	121 Å²	121	140.6 Å²	140.6	65%	0.647	76%	0.758	S	S	*	*			trans	84.3	134.7	152.6	-58.5	-21.1	0	0	0	118.9
137	S	41.4	Very low	34.2	Very low	85 Å²	85	139.7 Å²	139.7	59%	0.594	76%	0.759	S	S	*	*			cis	-166.5	155.7	-13.5	56.8	0	0	0	0	113.3
138	N	39.9	Very low	34.3	Very low	142 Å²	142	138.1 Å²	138.1	76%	0.759	76%	0.763	S	S	*	*			trans	13.9	156.3	139.8	-67.8	-48.3	0	0	0	121.8
139	R	39.6	Very low	34.6	Very low	234 Å²	234	143 Å²	143	88%	0.883	77%	0.774	S	S	*	*			cis	-173.6	156	10.9	-125.6	176.6	-171.1	-159.6	4	112.1
140	G	34.2	Very low	34.6	Very low	74 Å²	74	133.6 Å²	133.6	76%	0.763	75%	0.749	S	S	*	*			trans	67.5	161.7	147.2	0	0	0	0	0	119.7
141	K	42.9	Very low	34.8	Very low	205 Å²	205	133.1 Å²	133.1	89%	0.891	75%	0.752	S	S	*	*			cis	-158.2	-171.6	2.8	-135.2	-172.8	-177.8	178	0	109.3
142	P	37.5	Very low	35.2	Very low	116 Å²	116	131.1 Å²	131.1	75%	0.753	76%	0.755	S	S	*	*				-118.7	-164.8	-120.5	43.8	-27.6	0	0	0	115.8
143	L	29.3	Very low	36.1	Very low	161 Å²	161	130.2 Å²	130.2	84%	0.843	74%	0.74	S	S	*	*			trans	98.9	102.2	157.7	-157.6	76.5	0	0	0	117.4
144	I	36	Very low	36.8	Very low	165 Å²	165	130 Å²	130	85%	0.846	74%	0.739	S	S	*	*				-159.8	145	118.8	-93.4	150.7	0	0	0	108.3
145	S	26.8	Very low	37.6	Very low	112 Å²	112	134.7 Å²	134.7	78%	0.783	75%	0.747	S	S	*	*			trans	-71.5	125.3	-169	51.9	0	0	0	0	115.2
146	S	33.1	Very low	38.5	Very low	108 Å²	108	131.1 Å²	131.1	76%	0.755	72%	0.72	S	S	*	*			trans	-153.8	123.9	142.5	59.4	0	0	0	0	108.8	P148	S146-P148 WeakPolarHBondContact O-CD 3.43Å
147	T	28.4	Very low	39.5	Very low	138 Å²	138	130 Å²	130	85%	0.847	71%	0.714	S	S	*	*			trans	-69.3	114.7	-172.3	49.7	0	0	0	0	112.1
148	P	34.9	Very low	40.1	Very low	111 Å²	111	131 Å²	131	72%	0.721	72%	0.718	S	S	*	*			trans	-98.3	139.3	170.5	9.8	12.6	0	0	0	110	S146 G150	S146-P148 WeakPolarHBondContact O-CD 3.43Å; P148-G150 PolarHBondContact O-N 2.87Å
149	F	34.4	Very low	40.9	Very low	187 Å²	187	125.8 Å²	125.8	82%	0.82	70%	0.699	S	S	*	*			trans	-75.4	62.1	159.2	-75.1	-95.6	0	0	0	109
150	G	31.4	Very low	41.6	Very low	39 Å²	39	118.8 Å²	118.8	40%	0.402	68%	0.678	S	S	.	*			trans	-97.3	166.9	175.7	0	0	0	0	0	111.8	P148	P148-G150 PolarHBondContact O-N 2.87Å
151	D	37.3	Very low	42.5	Very low	162 Å²	162	117.1 Å²	117.1	87%	0.866	66%	0.657	S	S	*	*	S	Bend	trans	100.7	-4.6	171.6	-55.2	-9.9	0	0	0	117.7
152	N	40.2	Very low	43	Very low	141 Å²	141	111.1 Å²	111.1	75%	0.754	64%	0.641	S	S	*	*			trans	-126.7	27.5	172.4	-79.3	-52.5	0	0	0	114.3	L154	N152-L154 PolarHBondContact O-N 3.45Å
153	I	48.5	Very low	44.1	Very low	94 Å²	94	108.8 Å²	108.8	48%	0.482	62%	0.621	S	S	.	*			trans	-82.2	102.9	168.7	-59.7	-179	0	0	0	107.9	F155 Q173	I153-F155 PolarHBondContact O-N 2.81Å; I153-Q173 HydrophobicContact CG2-CG 4.41Å
154	L	50.6	Low	45.6	Very low	129 Å²	129	102.5 Å²	102.5	68%	0.675	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-58	126.1	166.2	-79.4	161.6	0	0	0	108.6	N152 L156	N152-L154 PolarHBondContact O-N 3.45Å; L154-L156 PolarHBondContact O-N 3.18Å; L154-L156 VanDerWaalsContact O-N 3.15Å
155	F	50.9	Low	47.2	Very low	201 Å²	201	96.5 Å²	96.5	88%	0.882	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-59.1	119.3	175.1	-110.4	-102.3	0	0	0	109	I153	I153-F155 PolarHBondContact O-N 2.81Å
156	L	55.5	Low	49.3	Very low	28 Å²	28	97.5 Å²	97.5	15%	0.147	55%	0.55	C	S	.	*	P	Polyproline II helix	trans	-58.8	139.8	168.2	-72	163.6	0	0	0	108.7	L154 P158 I169 Q173	L154-L156 PolarHBondContact O-N 3.18Å; L154-L156 VanDerWaalsContact O-N 3.15Å; L156-P158 WeakPolarHBondContact O-CD 3.43Å; L156-I169 HydrophobicContact CD1-CG2 4.02Å; L156-Q173 HydrophobicContact CD1-CG 4.3Å
157	D	57.8	Low	51	Low	99 Å²	99	95.8 Å²	95.8	53%	0.529	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-52.5	125.2	172.9	170.8	14.9	0	0	0	109.5	G159 L160 A161	D157-G159 PolarHBondContact O-N 2.98Å; D157-G159 PolarHBondContact OD1-N 3.02Å; D157-L160 HydrophobicContact CB-CB 4.42Å; D157-L160 PolarHBondContact O-N 2.9Å; D157-A161 PolarHBondContact O-N 2.9Å
158	P	53.8	Low	53.2	Low	104 Å²	104	90.7 Å²	90.7	68%	0.675	50%	0.497	S	S	*	.	H	α-helix	trans	-50.2	-30	176.4	-29.7	36.1	0	0	0	114.2	L156 S162	L156-P158 WeakPolarHBondContact O-CD 3.43Å; P158-S162 PolarHBondContact O-N 3.43Å
159	G	55.6	Low	55.2	Low	34 Å²	34	86.6 Å²	86.6	35%	0.351	47%	0.469	S	S	.	.	H	α-helix	trans	-61.3	-55.5	172.8	0	0	0	0	0	112.2	D157 A161 S162	D157-G159 PolarHBondContact O-N 2.98Å; D157-G159 PolarHBondContact OD1-N 3.02Å; G159-A161 PolarHBondContact O-N 3Å; G159-S162 WeakPolarHBondContact O-CB 3.3Å; G159-S162 PolarHBondContact O-N 2.87Å; G159-S162 PolarHBondContact O-OG 3.28Å
160	L	53.6	Low	57.4	Low	87 Å²	87	81.2 Å²	81.2	46%	0.455	45%	0.451	S	S	.	.	H	α-helix	trans	-61.5	-41.7	176.7	-100.5	153.3	0	0	0	112.6	D157 S162 I163 L164	D157-L160 HydrophobicContact CB-CB 4.42Å; D157-L160 PolarHBondContact O-N 2.9Å; L160-S162 PolarHBondContact O-N 3.38Å; L160-I163 PolarHBondContact O-N 3.39Å; L160-L164 HydrophobicContact CB-CD1 4.31Å; L160-L164 HydrophobicContact CD2-CD1 3.84Å; L160-L164 HydrophobicContact CD2-CG 4.39Å; L160-L164 WeakPolarHBondContact O-CD1 3.33Å; L160-L164 WeakPolarHBondContact O-CG 3.45Å; L160-L164 PolarHBondContact O-N 3.45Å; L160-L164 VanDerWaalsContact O-N 3.17Å
161	A	53.9	Low	59.9	Low	38 Å²	38	83.5 Å²	83.5	31%	0.314	45%	0.451	S	S	.	.	H	α-helix	trans	-63.3	-19.9	177.6	0	0	0	0	0	113.6	D157 G159	D157-A161 PolarHBondContact O-N 2.9Å; G159-A161 PolarHBondContact O-N 3Å
162	S	54.3	Low	62.2	Low	79 Å²	79	77 Å²	77	55%	0.552	42%	0.417	S	S	*	.	H	α-helix	trans	-81.7	-20.6	173	78.9	0	0	0	0	114	R78 P158 G159 L160	R78-S162 WeakPolarHBondContact CD-O 3.33Å; R78-S162 PolarHBondContact NE-O 3.37Å; P158-S162 PolarHBondContact O-N 3.43Å; G159-S162 WeakPolarHBondContact O-CB 3.3Å; G159-S162 PolarHBondContact O-N 2.87Å; G159-S162 PolarHBondContact O-OG 3.28Å; L160-S162 PolarHBondContact O-N 3.38Å
163	I	59.8	Low	64.5	Low	68 Å²	68	73.5 Å²	73.5	35%	0.349	40%	0.396	S	S	.	.	H	α-helix	trans	-87.5	-44	-177.8	-66.1	173.1	0	0	0	110.2	E71 R78 L160	E71-I163 WeakPolarHBondContact OE1-CG2 3.35Å; R78-I163 VanDerWaalsContact CZ-O 3.22Å; R78-I163 PolarHBondContact NE-O 3.25Å; R78-I163 VanDerWaalsContact NE-O 3.08Å; R78-I163 VanDerWaalsContact NH2-CG2 3.35Å; R78-I163 PolarHBondContact NH2-O 3.27Å; L160-I163 PolarHBondContact O-N 3.39Å
164	L	61.3	Low	66.5	Low	29 Å²	29	73.3 Å²	73.3	15%	0.152	39%	0.392	C	S	.	.	S	Bend	trans	-80.8	146.4	-171.1	-61.8	160.5	0	0	0	112	L160 E168 I169 L172	L160-L164 HydrophobicContact CB-CD1 4.31Å; L160-L164 HydrophobicContact CD2-CD1 3.84Å; L160-L164 HydrophobicContact CD2-CG 4.39Å; L160-L164 WeakPolarHBondContact O-CD1 3.33Å; L160-L164 WeakPolarHBondContact O-CG 3.45Å; L160-L164 PolarHBondContact O-N 3.45Å; L160-L164 VanDerWaalsContact O-N 3.17Å; L164-E168 HydrophobicContact CB-CB 4.11Å; L164-E168 HydrophobicContact CD2-CB 4.08Å; L164-E168 WeakPolarHBondContact CD2-OE2 3.32Å; L164-I169 HydrophobicContact CB-CG1 3.96Å; L164-L172 HydrophobicContact CD1-CD1 3.32Å; L164-L172 HydrophobicContact CD2-CD1 3.95Å; L164-L172 HydrophobicContact CG-CD1 4.23Å
165	D	69.7	Low	68.5	Low	39 Å²	39	67.8 Å²	67.8	21%	0.209	36%	0.362	C	S	.	.			trans	-80.6	174.3	171.9	76.6	45.4	0	0	0	112.7	F29 E167 E168 I169	F29-D165 HydrophobicContact CE2-CB 4.18Å; F29-D165 WeakPolarHBondContact CE2-OD2 3.1Å; F29-D165 WeakPolarHBondContact CZ-OD2 3.06Å; D165-E167 VanDerWaalsContact C-N 3.34Å; D165-E167 PolarHBondContact O-N 3.3Å; D165-E167 WeakPolarHBondContact OD1-CA 3.38Å; D165-E167 WeakPolarHBondContact OD1-CB 3.46Å; D165-E167 PolarHBondContact OD1-N 3.43Å; D165-E168 PolarHBondContact O-N 3.48Å; D165-E168 PolarHBondContact OD1-N 2.6Å; D165-I169 WeakPolarHBondContact O-CB 3.36Å; D165-I169 VanDerWaalsContact O-CG1 3.28Å; D165-I169 WeakPolarHBondContact O-CG1 3.45Å; D165-I169 PolarHBondContact O-N 3.37Å
166	Q	70.4	Confident	70.3	Confident	133 Å²	133	61 Å²	61	62%	0.621	33%	0.333	S	S	*	.	H	α-helix	trans	-66.4	-30.7	-177	-171.1	60.6	67	0	0	113.7	T170	Q166-T170 WeakPolarHBondContact O-CB 3.27Å; Q166-T170 PolarHBondContact O-N 3.44Å; Q166-T170 VanDerWaalsContact O-N 3.12Å; Q166-T170 PolarHBondContact O-OG1 2.92Å
167	E	69.4	Low	71.9	Confident	72 Å²	72	62.6 Å²	62.6	34%	0.336	34%	0.342	S	S	.	.	H	α-helix	trans	-69.2	-42.1	173.3	-169.8	-179.3	173.3	0	0	109.4	K13 H51 D165 T170 Q171	K13-E167 VanDerWaalsContact NZ-CD 3.28Å; K13-E167 IonicContact NZ-OE1 3.25Å; K13-E167 PolarHBondContact NZ-OE1 3.44Å; K13-E167 IonicContact NZ-OE2 2.63Å; K13-E167 PolarHBondContact NZ-OE2 3.48Å; H51-E167 IonicContact CE1-OE2 2.68Å; H51-E167 PolarHBondContact CE1-OE2 3.26Å; H51-E167 IonicContact ND1-OE2 2.71Å; H51-E167 PolarHBondContact ND1-OE2 3.38Å; H51-E167 VanDerWaalsContact ND1-OE2 3.17Å; D165-E167 VanDerWaalsContact C-N 3.34Å; D165-E167 PolarHBondContact O-N 3.3Å; D165-E167 WeakPolarHBondContact OD1-CA 3.38Å; D165-E167 WeakPolarHBondContact OD1-CB 3.46Å; D165-E167 PolarHBondContact OD1-N 3.43Å; E167-T170 PolarHBondContact O-N 3.15Å; E167-Q171 VanDerWaalsContact O-CB 3.29Å; E167-Q171 WeakPolarHBondContact O-CB 3.45Å; E167-Q171 PolarHBondContact O-N 2.98Å
168	E	73.6	Confident	73.4	Confident	30 Å²	30	62 Å²	62	14%	0.14	34%	0.336	C	S	.	.	H	α-helix	trans	-69.4	-39.1	178.5	-63.5	-167.5	134.9	0	0	113.4	R74 L164 D165 Q171 L172	R74-E168 IonicContact CZ-OE1 3.26Å; R74-E168 IonicContact NH1-OE1 3.93Å; R74-E168 PolarHBondContact NH1-OE1 2.59Å; R74-E168 IonicContact NH1-OE2 3.66Å; R74-E168 PolarHBondContact NH1-OE2 3.09Å; R74-E168 IonicContact NH2-OE1 3.28Å; R74-E168 PolarHBondContact NH2-OE1 3.38Å; L164-E168 HydrophobicContact CB-CB 4.11Å; L164-E168 HydrophobicContact CD2-CB 4.08Å; L164-E168 WeakPolarHBondContact CD2-OE2 3.32Å; D165-E168 PolarHBondContact O-N 3.48Å; D165-E168 PolarHBondContact OD1-N 2.6Å; E168-Q171 PolarHBondContact O-N 2.76Å; E168-L172 WeakPolarHBondContact O-CB 3.02Å; E168-L172 WeakPolarHBondContact O-CG 3.43Å; E168-L172 PolarHBondContact O-N 3.06Å
169	I	76.4	Confident	75.1	Confident	26 Å²	26	59.4 Å²	59.4	13%	0.133	32%	0.316	C	S	.	.	H	α-helix	trans	-59.9	-47.4	171.2	-71	165.6	0	0	0	109.8	L156 L164 D165 L172 Q173	L156-I169 HydrophobicContact CD1-CG2 4.02Å; L164-I169 HydrophobicContact CB-CG1 3.96Å; D165-I169 WeakPolarHBondContact O-CB 3.36Å; D165-I169 VanDerWaalsContact O-CG1 3.28Å; D165-I169 WeakPolarHBondContact O-CG1 3.45Å; D165-I169 PolarHBondContact O-N 3.37Å; I169-L172 PolarHBondContact O-N 3.05Å; I169-Q173 WeakPolarHBondContact O-CB 3.08Å; I169-Q173 VanDerWaalsContact O-CG 3.22Å; I169-Q173 WeakPolarHBondContact O-CG 3.33Å; I169-Q173 PolarHBondContact O-N 3.21Å
170	T	80.9	Confident	76.8	Confident	74 Å²	74	57.8 Å²	57.8	45%	0.454	30%	0.299	S	S	.	.	H	α-helix	trans	-66.3	-37.6	177.7	-63.2	0	0	0	0	112.1	Q166 E167 F174	Q166-T170 WeakPolarHBondContact O-CB 3.27Å; Q166-T170 PolarHBondContact O-N 3.44Å; Q166-T170 VanDerWaalsContact O-N 3.12Å; Q166-T170 PolarHBondContact O-OG1 2.92Å; E167-T170 PolarHBondContact O-N 3.15Å; T170-F174 WeakPolarHBondContact O-CB 3.2Å; T170-F174 PolarHBondContact O-N 3.3Å
171	Q	85.4	Confident	78.5	Confident	86 Å²	86	59.1 Å²	59.1	40%	0.402	30%	0.301	S	S	.	.	H	α-helix	trans	-64.1	-47.6	174.5	179.3	177.7	-24.1	0	0	111	E167 E168 F174 E175	E167-Q171 VanDerWaalsContact O-CB 3.29Å; E167-Q171 WeakPolarHBondContact O-CB 3.45Å; E167-Q171 PolarHBondContact O-N 2.98Å; E168-Q171 PolarHBondContact O-N 2.76Å; Q171-F174 CarbonylContact O-C 3.6Å; Q171-F174 WeakPolarHBondContact O-CB 3.05Å; Q171-F174 PolarHBondContact O-N 2.73Å; Q171-E175 HydrophobicContact CG-CG 4.29Å; Q171-E175 WeakPolarHBondContact CG-OE1 3.28Å; Q171-E175 PolarHBondContact NE2-OE1 3.11Å; Q171-E175 WeakPolarHBondContact O-CB 2.99Å; Q171-E175 VanDerWaalsContact O-CG 3.31Å; Q171-E175 WeakPolarHBondContact O-CG 3.49Å; Q171-E175 PolarHBondContact O-N 2.99Å
172	L	85.3	Confident	80.2	Confident	26 Å²	26	58.9 Å²	58.9	14%	0.136	30%	0.296	C	S	.	.	H	α-helix	trans	-66	-39.7	179	-75.4	162.8	0	0	0	111.9	L164 E168 I169 F174 E175 Q176 T380	L164-L172 HydrophobicContact CD1-CD1 3.32Å; L164-L172 HydrophobicContact CD2-CD1 3.95Å; L164-L172 HydrophobicContact CG-CD1 4.23Å; E168-L172 WeakPolarHBondContact O-CB 3.02Å; E168-L172 WeakPolarHBondContact O-CG 3.43Å; E168-L172 PolarHBondContact O-N 3.06Å; I169-L172 PolarHBondContact O-N 3.05Å; L172-F174 VanDerWaalsContact C-N 3.34Å; L172-F174 PolarHBondContact O-N 2.87Å; L172-E175 PolarHBondContact O-N 3Å; L172-Q176 WeakPolarHBondContact O-CB 3.43Å; L172-Q176 WeakPolarHBondContact O-CG 3.46Å; L172-Q176 PolarHBondContact O-N 3.3Å; L172-T380 HydrophobicContact CD2-CG2 4.13Å
173	Q	87.3	Confident	81.9	Confident	67 Å²	67	55.1 Å²	55.1	31%	0.313	27%	0.27	S	S	.	.	H	α-helix	trans	-57.6	-46.1	170.5	-76.4	172.5	-12.8	0	0	111.5	I153 L156 I169 Q176 L177	I153-Q173 HydrophobicContact CG2-CG 4.41Å; L156-Q173 HydrophobicContact CD1-CG 4.3Å; I169-Q173 WeakPolarHBondContact O-CB 3.08Å; I169-Q173 VanDerWaalsContact O-CG 3.22Å; I169-Q173 WeakPolarHBondContact O-CG 3.33Å; I169-Q173 PolarHBondContact O-N 3.21Å; Q173-Q176 PolarHBondContact O-N 3.5Å; Q173-L177 PolarHBondContact O-N 3.28Å
174	F	90.3	Very high	83.4	Confident	91 Å²	91	54.4 Å²	54.4	40%	0.399	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-44.9	174.4	173.4	-97.6	0	0	0	112	T170 Q171 L172 Q176 L177 H180 M260	T170-F174 WeakPolarHBondContact O-CB 3.2Å; T170-F174 PolarHBondContact O-N 3.3Å; Q171-F174 CarbonylContact O-C 3.6Å; Q171-F174 WeakPolarHBondContact O-CB 3.05Å; Q171-F174 PolarHBondContact O-N 2.73Å; L172-F174 VanDerWaalsContact C-N 3.34Å; L172-F174 PolarHBondContact O-N 2.87Å; F174-Q176 VanDerWaalsContact C-N 3.29Å; F174-Q176 PolarHBondContact O-N 2.77Å; F174-L177 HydrophobicContact CD2-CD1 3.87Å; F174-L177 HydrophobicContact CE2-CD1 4.42Å; F174-L177 WeakPolarHBondContact O-CB 3.39Å; F174-L177 VanDerWaalsContact O-CG 3.29Å; F174-L177 WeakPolarHBondContact O-CG 3.39Å; F174-L177 PolarHBondContact O-N 3.47Å; F174-H180 AromaticContact CE1-CE1 3.81Å; F174-H180 AromaticContact CZ-CE1 3.73Å; F174-H180 PolarHBondContact O-NE2 2.76Å; F174-M260 HydrophobicContact CZ-CE 4.36Å; F174-M260 HydrophobicContact CZ-SD 4.42Å
175	E	92.3	Very high	84.8	Confident	13 Å²	13	53.4 Å²	53.4	6%	0.061	26%	0.261	C	S	.	.	H	α-helix	trans	-67.5	-26.5	-179	-73.8	-177.6	-157.7	0	0	113.7	Q171 L172 H180 T380 A381 C382 R383	Q171-E175 HydrophobicContact CG-CG 4.29Å; Q171-E175 WeakPolarHBondContact CG-OE1 3.28Å; Q171-E175 PolarHBondContact NE2-OE1 3.11Å; Q171-E175 WeakPolarHBondContact O-CB 2.99Å; Q171-E175 VanDerWaalsContact O-CG 3.31Å; Q171-E175 WeakPolarHBondContact O-CG 3.49Å; Q171-E175 PolarHBondContact O-N 2.99Å; L172-E175 PolarHBondContact O-N 3Å; E175-H180 PolarHBondContact O-CD2 2.83Å; E175-T380 HydrophobicContact CB-CG2 4.07Å; E175-T380 PolarHBondContact OE2-OG1 3.12Å; E175-A381 PolarHBondContact O-N 3.43Å; E175-C382 HydrophobicContact CB-CB 3.81Å; E175-C382 HydrophobicContact CG-CB 3.94Å; E175-C382 WeakPolarHBondContact O-CB 3.42Å; E175-C382 PolarHBondContact O-N 3.45Å; E175-R383 IonicContact OE1-CZ 3.45Å; E175-R383 IonicContact OE1-NE 2.77Å; E175-R383 PolarHBondContact OE1-NE 3.14Å; E175-R383 IonicContact OE1-NH2 3.52Å; E175-R383 PolarHBondContact OE1-NH2 3.14Å; E175-R383 IonicContact OE2-CZ 2.69Å; E175-R383 VanDerWaalsContact OE2-CZ 3.26Å; E175-R383 IonicContact OE2-NE 3.53Å; E175-R383 PolarHBondContact OE2-NE 3.35Å; E175-R383 IonicContact OE2-NH2 3.86Å; E175-R383 PolarHBondContact OE2-NH2 3.38Å; E175-R383 VanDerWaalsContact OE2-NH2 3.12Å
176	Q	90.7	Very high	85.7	Confident	58 Å²	58	55.6 Å²	55.6	27%	0.271	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-9.6	177.2	-74.4	173	-4.3	0	0	113.8	L172 Q173 F174 Q178 T380	L172-Q176 WeakPolarHBondContact O-CB 3.43Å; L172-Q176 WeakPolarHBondContact O-CG 3.46Å; L172-Q176 PolarHBondContact O-N 3.3Å; Q173-Q176 PolarHBondContact O-N 3.5Å; F174-Q176 VanDerWaalsContact C-N 3.29Å; F174-Q176 PolarHBondContact O-N 2.77Å; Q176-Q178 PolarHBondContact O-N 3.08Å; Q176-Q178 PolarHBondContact O-NE2 2.9Å; Q176-Q178 VanDerWaalsContact O-NE2 3.16Å; Q176-T380 HydrophobicContact CG-CG2 4.09Å
177	L	89	Confident	86.7	Confident	61 Å²	61	50.1 Å²	50.1	32%	0.319	25%	0.252	S	S	.	.			trans	-56.8	130.1	178.9	-66.6	176.2	0	0	0	111.1	Q173 F174 I179 H180	Q173-L177 PolarHBondContact O-N 3.28Å; F174-L177 HydrophobicContact CD2-CD1 3.87Å; F174-L177 HydrophobicContact CE2-CD1 4.42Å; F174-L177 WeakPolarHBondContact O-CB 3.39Å; F174-L177 VanDerWaalsContact O-CG 3.29Å; F174-L177 WeakPolarHBondContact O-CG 3.39Å; F174-L177 PolarHBondContact O-N 3.47Å; L177-I179 HydrophobicContact CB-CB 4.34Å; L177-I179 HydrophobicContact CB-CG2 3.67Å; L177-I179 HydrophobicContact CD1-CG2 4.33Å; L177-I179 PolarHBondContact O-N 3.28Å; L177-H180 PolarHBondContact O-CD2 3.05Å; L177-H180 PolarHBondContact O-N 3.15Å
178	Q	88.9	Confident	87.8	Confident	87 Å²	87	51.7 Å²	51.7	41%	0.407	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-62.5	-15.1	180	-58.3	-58.5	-66.2	0	0	113.1	Q176 H180 K181	Q176-Q178 PolarHBondContact O-N 3.08Å; Q176-Q178 PolarHBondContact O-NE2 2.9Å; Q176-Q178 VanDerWaalsContact O-NE2 3.16Å; Q178-H180 PolarHBondContact O-N 3.08Å; Q178-H180 VanDerWaalsContact O-N 3.15Å; Q178-K181 WeakPolarHBondContact O-CB 3.05Å; Q178-K181 PolarHBondContact O-N 3.13Å; Q178-K181 VanDerWaalsContact O-N 3.09Å
179	I	88.7	Confident	88.7	Confident	50 Å²	50	50.7 Å²	50.7	26%	0.256	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-57.7	-21.7	176.6	-147.8	166.3	0	0	0	114	L177 P182 Y183 V256	L177-I179 HydrophobicContact CB-CB 4.34Å; L177-I179 HydrophobicContact CB-CG2 3.67Å; L177-I179 HydrophobicContact CD1-CG2 4.33Å; L177-I179 PolarHBondContact O-N 3.28Å; I179-P182 WeakPolarHBondContact O-CD 3.3Å; I179-Y183 WeakPolarHBondContact O-CD2 3.47Å; I179-Y183 WeakPolarHBondContact O-CE2 3.32Å; I179-V256 HydrophobicContact CD1-CB 4.27Å; I179-V256 HydrophobicContact CD1-CG1 3.37Å; I179-V256 HydrophobicContact CD1-CG2 3.87Å; I179-V256 HydrophobicContact CG1-CG1 3.52Å
180	H	92	Very high	89.6	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-80.1	-23.7	177.9	-58.5	-59.8	0	0	0	113.3	F174 E175 L177 Q178 P182 Y183 M260 F264 A381 C382	F174-H180 AromaticContact CE1-CE1 3.81Å; F174-H180 AromaticContact CZ-CE1 3.73Å; F174-H180 PolarHBondContact O-NE2 2.76Å; E175-H180 PolarHBondContact O-CD2 2.83Å; L177-H180 PolarHBondContact O-CD2 3.05Å; L177-H180 PolarHBondContact O-N 3.15Å; Q178-H180 PolarHBondContact O-N 3.08Å; Q178-H180 VanDerWaalsContact O-N 3.15Å; H180-P182 VanDerWaalsContact C-CD 3.5Å; H180-Y183 WeakPolarHBondContact O-CB 3.44Å; H180-Y183 PolarHBondContact O-N 3.33Å; H180-M260 WeakPolarHBondContact ND1-CE 3.31Å; H180-F264 HydrophobicContact CB-CZ 4.49Å; H180-F264 AromaticContact ND1-CZ 3.85Å; H180-A381 HydrophobicContact CB-CB 4.04Å; H180-C382 HydrophobicContact CB-CB 4.47Å
181	K	89.4	Confident	90.2	Very high	114 Å²	114	55.4 Å²	55.4	50%	0.496	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-53.3	-43.4	-175.6	-78.4	179.7	162.6	171.7	0	114.1	Q178 Y183 M184	Q178-K181 WeakPolarHBondContact O-CB 3.05Å; Q178-K181 PolarHBondContact O-N 3.13Å; Q178-K181 VanDerWaalsContact O-N 3.09Å; K181-Y183 PolarHBondContact O-N 3.34Å; K181-M184 VanDerWaalsContact O-CB 3.3Å; K181-M184 WeakPolarHBondContact O-CB 3.5Å; K181-M184 WeakPolarHBondContact O-CG 3.23Å; K181-M184 PolarHBondContact O-N 3.01Å; K181-M184 VanDerWaalsContact O-N 3.16Å
182	P	89.3	Confident	90.6	Very high	33 Å²	33	54.4 Å²	54.4	21%	0.214	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-75.9	-4.8	-177.9	-12.4	30	0	0	0	113.9	I179 H180 I251 I252	I179-P182 WeakPolarHBondContact O-CD 3.3Å; H180-P182 VanDerWaalsContact C-CD 3.5Å; P182-I251 HydrophobicContact CB-CG2 3.81Å; P182-I251 HydrophobicContact CG-CG2 3.46Å; P182-I251 VanDerWaalsContact CG-CG2 3.46Å; P182-I252 HydrophobicContact CB-CD1 3.57Å; P182-I252 HydrophobicContact CB-CG1 4.12Å; P182-I252 HydrophobicContact CG-CD1 3.69Å; P182-I252 HydrophobicContact CG-CG1 3.83Å
183	Y	90.3	Very high	91.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-88.8	-5	171.7	-64.3	-90.4	0	0	0	112.8	I179 H180 K181 I252 M260 F264	I179-Y183 WeakPolarHBondContact O-CD2 3.47Å; I179-Y183 WeakPolarHBondContact O-CE2 3.32Å; H180-Y183 WeakPolarHBondContact O-CB 3.44Å; H180-Y183 PolarHBondContact O-N 3.33Å; K181-Y183 PolarHBondContact O-N 3.34Å; Y183-I252 HydrophobicContact CD2-CD1 4.21Å; Y183-I252 HydrophobicContact CE2-CD1 3.44Å; Y183-I252 VanDerWaalsContact CE2-CD1 3.44Å; Y183-M260 HydrophobicContact CE1-CB 4.03Å; Y183-M260 HydrophobicContact CE2-CB 3.86Å; Y183-M260 HydrophobicContact CE2-CG 4.3Å; Y183-M260 VanDerWaalsContact CZ-CB 3.47Å; Y183-M260 WeakPolarHBondContact OH-CB 3.35Å; Y183-F264 VanDerWaalsContact CB-CE2 3.46Å; Y183-F264 AromaticContact CD1-CD2 3.31Å; Y183-F264 HydrophobicContact CD1-CD2 3.31Å; Y183-F264 AromaticContact CD1-CE2 3.61Å; Y183-F264 HydrophobicContact CD1-CE2 3.61Å; Y183-F264 HydrophobicContact CD1-CG 4.09Å; Y183-F264 HydrophobicContact CD2-CD2 4.14Å; Y183-F264 AromaticContact CD2-CE2 3.55Å; Y183-F264 HydrophobicContact CD2-CE2 3.55Å; Y183-F264 HydrophobicContact CD2-CZ 4.32Å; Y183-F264 AromaticContact CE1-CD2 3.89Å; Y183-F264 HydrophobicContact CE1-CD2 3.89Å; Y183-F264 HydrophobicContact CE1-CE2 4.27Å; Y183-F264 HydrophobicContact CE2-CE2 4.23Å; Y183-F264 AromaticContact CG-CD2 3.49Å; Y183-F264 HydrophobicContact CG-CD2 3.49Å; Y183-F264 VanDerWaalsContact CG-CD2 3.49Å; Y183-F264 AromaticContact CG-CE2 3.22Å; Y183-F264 HydrophobicContact CG-CE2 3.22Å; Y183-F264 HydrophobicContact CG-CG 4.36Å; Y183-F264 AromaticContact CG-CZ 3.92Å; Y183-F264 HydrophobicContact CG-CZ 3.92Å
184	M	90.6	Very high	91.5	Very high	53 Å²	53	55.4 Å²	55.4	26%	0.261	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-73.8	126.3	172.1	-65.3	174	49.6	0	0	110.5	K181 L242 R384 A385	K181-M184 VanDerWaalsContact O-CB 3.3Å; K181-M184 WeakPolarHBondContact O-CB 3.5Å; K181-M184 WeakPolarHBondContact O-CG 3.23Å; K181-M184 PolarHBondContact O-N 3.01Å; K181-M184 VanDerWaalsContact O-N 3.16Å; M184-L242 WeakPolarHBondContact O-CD2 3.44Å; M184-R384 VanDerWaalsContact CE-CD 3.44Å; M184-R384 HydrophobicContact CE-CG 3.76Å; M184-R384 HydrophobicContact SD-CG 4.07Å; M184-A385 HydrophobicContact CG-CB 3.78Å
185	V	90.5	Very high	91.6	Very high	8 Å²	8	54.8 Å²	54.8	5%	0.048	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-91.8	140.5	174.7	-165	0	0	0	0	109.3	I238 L242 H388 R389 Y392	V185-I238 HydrophobicContact CG2-CG2 3.46Å; V185-I238 VanDerWaalsContact CG2-CG2 3.46Å; V185-L242 HydrophobicContact CB-CD2 4.45Å; V185-L242 HydrophobicContact CG2-CD1 4.14Å; V185-L242 HydrophobicContact CG2-CD2 4.02Å; V185-L242 HydrophobicContact CG2-CG 4.17Å; V185-H388 PolarHBondContact O-ND1 2.9Å; V185-R389 HydrophobicContact CG2-CG 3.93Å; V185-Y392 HydrophobicContact CB-CD2 4.32Å; V185-Y392 HydrophobicContact CB-CG 4.24Å; V185-Y392 HydrophobicContact CG1-CD1 4.22Å; V185-Y392 HydrophobicContact CG1-CD2 3.38Å; V185-Y392 HydrophobicContact CG1-CE2 3.79Å; V185-Y392 HydrophobicContact CG1-CG 3.63Å
186	P	89.8	Confident	91.6	Very high	85 Å²	85	55.7 Å²	55.7	55%	0.552	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-62.6	139.8	170	26	-34.7	0	0	0	111.3	D188	P186-D188 PolarHBondContact O-N 3.29Å
187	L	91.7	Very high	91.7	Very high	18 Å²	18	53.8 Å²	53.8	9%	0.094	27%	0.27	C	S	.	.			trans	-98.1	62.8	-179	-64.3	179.5	0	0	0	110.7	P371 L374 H388 L391 I395	L187-P371 HydrophobicContact CB-CG 4.17Å; L187-L374 HydrophobicContact CD1-CD1 3.64Å; L187-H388 HydrophobicContact CD2-CB 4.46Å; L187-H388 WeakPolarHBondContact CD2-O 3.34Å; L187-L391 HydrophobicContact CD1-CB 4.39Å; L187-L391 HydrophobicContact CD1-CD1 3.72Å; L187-L391 HydrophobicContact CD2-CB 3.65Å; L187-L391 HydrophobicContact CD2-CD1 4.5Å; L187-I395 HydrophobicContact CD2-CD1 4.33Å
188	D	91.2	Very high	91.8	Very high	105 Å²	105	56.7 Å²	56.7	56%	0.561	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-94.5	136.9	177.1	-83.2	-61.2	0	0	0	112	P186 P190 R194	P186-D188 PolarHBondContact O-N 3.29Å; D188-P190 WeakPolarHBondContact O-CD 3.25Å; D188-R194 IonicContact OD1-NH2 2.67Å
189	L	93.3	Very high	91.8	Very high	9 Å²	9	56 Å²	56	5%	0.047	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-73.1	120.4	174.1	-163.7	65.6	0	0	0	110.1	L193 R194 L197 L364 I367 T368	L189-L193 HydrophobicContact CD1-CB 3.61Å; L189-L193 HydrophobicContact CD1-CD1 3.77Å; L189-L193 HydrophobicContact CD1-CG 4.37Å; L189-L193 HydrophobicContact CD2-CB 4.2Å; L189-L193 HydrophobicContact CG-CB 3.7Å; L189-R194 HydrophobicContact CD2-CB 4.27Å; L189-R194 HydrophobicContact CG-CB 4.44Å; L189-R194 PolarHBondContact O-NE 3.43Å; L189-R194 PolarHBondContact O-NH2 2.65Å; L189-L197 HydrophobicContact CD2-CB 4.23Å; L189-L197 HydrophobicContact CD2-CD2 3.79Å; L189-L364 HydrophobicContact CD1-CD2 4.39Å; L189-I367 HydrophobicContact CD1-CG2 4.06Å; L189-T368 HydrophobicContact CD2-CG2 4.21Å
190	P	94.4	Very high	91.7	Very high	40 Å²	40	53.8 Å²	53.8	26%	0.26	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-55.8	153.4	177.1	-27.3	35.5	0	0	0	112.1	D188 N192 L193 R194 I395 D399	D188-P190 WeakPolarHBondContact O-CD 3.25Å; P190-N192 VanDerWaalsContact C-N 3.31Å; P190-N192 PolarHBondContact O-N 3.2Å; P190-L193 PolarHBondContact O-N 2.96Å; P190-L193 VanDerWaalsContact O-N 3.15Å; P190-R194 WeakPolarHBondContact O-CB 3.47Å; P190-R194 PolarHBondContact O-N 3.16Å; P190-I395 HydrophobicContact CG-CG2 3.83Å; P190-D399 HydrophobicContact CB-CB 4.36Å; P190-D399 HydrophobicContact CG-CB 4.21Å
191	K	94.5	Very high	91.5	Very high	159 Å²	159	55.6 Å²	55.6	69%	0.691	28%	0.283	S	S	*	.	H	α-helix	trans	-51.1	-47.5	-174	-176	-178.4	174.5	-175.7	0	112.9	R194 D195	K191-R194 WeakPolarHBondContact O-CB 3.22Å; K191-R194 PolarHBondContact O-N 2.83Å; K191-D195 WeakPolarHBondContact CE-OD2 3.34Å; K191-D195 WeakPolarHBondContact O-CB 3.35Å; K191-D195 PolarHBondContact O-N 3.32Å
192	N	94.1	Very high	91.3	Very high	66 Å²	66	53.7 Å²	53.7	35%	0.353	28%	0.279	S	S	.	.	H	α-helix	trans	-63.3	-45.2	-178.5	157.6	82.1	0	0	0	112.5	P190 R194 D195 I196 D399 S402	P190-N192 VanDerWaalsContact C-N 3.31Å; P190-N192 PolarHBondContact O-N 3.2Å; N192-R194 VanDerWaalsContact C-N 3.32Å; N192-R194 PolarHBondContact O-N 3.11Å; N192-D195 PolarHBondContact O-N 2.91Å; N192-I196 WeakPolarHBondContact O-CD1 3.39Å; N192-I196 VanDerWaalsContact O-CG1 3.3Å; N192-I196 WeakPolarHBondContact O-CG1 3.28Å; N192-I196 PolarHBondContact O-N 3.2Å; N192-D399 WeakPolarHBondContact CB-OD1 3.47Å; N192-D399 PolarHBondContact ND2-OD1 3.03Å; N192-S402 WeakPolarHBondContact ND2-CB 3.36Å; N192-S402 PolarHBondContact ND2-OG 2.88Å
193	L	95.2	Very high	90.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66	-32.7	172.7	-67.2	-174.6	0	0	0	113.1	L189 P190 I196 L197 L364 I395 L398 D399 F406	L189-L193 HydrophobicContact CD1-CB 3.61Å; L189-L193 HydrophobicContact CD1-CD1 3.77Å; L189-L193 HydrophobicContact CD1-CG 4.37Å; L189-L193 HydrophobicContact CD2-CB 4.2Å; L189-L193 HydrophobicContact CG-CB 3.7Å; P190-L193 PolarHBondContact O-N 2.96Å; P190-L193 VanDerWaalsContact O-N 3.15Å; L193-I196 HydrophobicContact CD2-CD1 4.28Å; L193-I196 PolarHBondContact O-N 2.83Å; L193-L197 WeakPolarHBondContact O-CB 3.45Å; L193-L197 PolarHBondContact O-N 3.42Å; L193-L364 HydrophobicContact CD1-CD2 4.28Å; L193-L364 HydrophobicContact CD2-CD2 4.35Å; L193-I395 HydrophobicContact CD1-CG2 4.4Å; L193-L398 HydrophobicContact CD1-CB 3.74Å; L193-L398 HydrophobicContact CD2-CB 4.46Å; L193-D399 HydrophobicContact CD1-CB 4.01Å; L193-D399 HydrophobicContact CG-CB 4.01Å; L193-F406 HydrophobicContact CD2-CD2 4.17Å; L193-F406 HydrophobicContact CD2-CE2 3.78Å
194	R	95.1	Very high	90.2	Very high	113 Å²	113	52.8 Å²	52.8	43%	0.426	27%	0.274	S	S	.	.	H	α-helix	trans	-68.8	-40.6	175.8	-170.7	178.2	-59.3	-102.3	2.6	112.2	D188 L189 P190 K191 N192 L197 K198	D188-R194 IonicContact OD1-NH2 2.67Å; L189-R194 HydrophobicContact CD2-CB 4.27Å; L189-R194 HydrophobicContact CG-CB 4.44Å; L189-R194 PolarHBondContact O-NE 3.43Å; L189-R194 PolarHBondContact O-NH2 2.65Å; P190-R194 WeakPolarHBondContact O-CB 3.47Å; P190-R194 PolarHBondContact O-N 3.16Å; K191-R194 WeakPolarHBondContact O-CB 3.22Å; K191-R194 PolarHBondContact O-N 2.83Å; N192-R194 VanDerWaalsContact C-N 3.32Å; N192-R194 PolarHBondContact O-N 3.11Å; R194-L197 PolarHBondContact O-N 2.75Å; R194-K198 WeakPolarHBondContact O-CB 2.94Å; R194-K198 PolarHBondContact O-N 2.87Å
195	D	93.6	Very high	89.5	Confident	79 Å²	79	55.8 Å²	55.8	42%	0.422	29%	0.291	S	S	.	.	H	α-helix	trans	-64.4	-43	174.5	-66.2	-23.2	0	0	0	110.1	K191 N192 K198 C199	K191-D195 WeakPolarHBondContact CE-OD2 3.34Å; K191-D195 WeakPolarHBondContact O-CB 3.35Å; K191-D195 PolarHBondContact O-N 3.32Å; N192-D195 PolarHBondContact O-N 2.91Å; D195-K198 PolarHBondContact O-N 3.25Å; D195-C199 PolarHBondContact O-N 3Å; D195-C199 PolarHBondContact O-SG 3.06Å; D195-C199 VanDerWaalsContact O-SG 3.37Å
196	I	92.1	Very high	88.7	Confident	32 Å²	32	60.8 Å²	60.8	16%	0.164	32%	0.321	C	S	.	.	H	α-helix	trans	-60	-49.6	173.6	-70.3	163	0	0	0	111.6	N192 L193 K198 C199 H200 Y361 L364 F406	N192-I196 WeakPolarHBondContact O-CD1 3.39Å; N192-I196 VanDerWaalsContact O-CG1 3.3Å; N192-I196 WeakPolarHBondContact O-CG1 3.28Å; N192-I196 PolarHBondContact O-N 3.2Å; L193-I196 HydrophobicContact CD2-CD1 4.28Å; L193-I196 PolarHBondContact O-N 2.83Å; I196-K198 VanDerWaalsContact C-N 3.31Å; I196-K198 PolarHBondContact O-N 3.32Å; I196-C199 PolarHBondContact O-N 3.47Å; I196-H200 PolarHBondContact O-N 3.17Å; I196-H200 VanDerWaalsContact O-N 3.12Å; I196-Y361 HydrophobicContact CG2-CD1 4.11Å; I196-Y361 HydrophobicContact CG2-CE1 3.91Å; I196-L364 HydrophobicContact CG2-CD1 3.97Å; I196-F406 HydrophobicContact CD1-CB 4.16Å; I196-F406 HydrophobicContact CD1-CD2 4.18Å; I196-F406 HydrophobicContact CD1-CG 4.44Å; I196-F406 HydrophobicContact CG2-CB 3.87Å; I196-F406 HydrophobicContact CG2-CD1 4.2Å; I196-F406 HydrophobicContact CG2-CD2 4.44Å; I196-F406 HydrophobicContact CG2-CG 3.93Å
197	L	92.6	Very high	87.5	Confident	17 Å²	17	58 Å²	58	9%	0.089	31%	0.308	C	S	.	.	H	α-helix	trans	-60.5	-43.2	178.4	172.2	58.4	0	0	0	111	L189 L193 R194 H200 T201 L364 R365 T368	L189-L197 HydrophobicContact CD2-CB 4.23Å; L189-L197 HydrophobicContact CD2-CD2 3.79Å; L193-L197 WeakPolarHBondContact O-CB 3.45Å; L193-L197 PolarHBondContact O-N 3.42Å; R194-L197 PolarHBondContact O-N 2.75Å; L197-H200 WeakPolarHBondContact O-CB 3.29Å; L197-H200 PolarHBondContact O-N 2.83Å; L197-T201 HydrophobicContact CD1-CG2 4.04Å; L197-T201 PolarHBondContact O-N 3.29Å; L197-T201 PolarHBondContact O-OG1 3.19Å; L197-L364 HydrophobicContact CB-CB 4.27Å; L197-L364 HydrophobicContact CB-CD1 4.21Å; L197-L364 HydrophobicContact CD1-CB 4.16Å; L197-L364 HydrophobicContact CD2-CB 4.33Å; L197-L364 HydrophobicContact CG-CB 4.48Å; L197-R365 HydrophobicContact CD1-CG 3.52Å; L197-T368 HydrophobicContact CD2-CG2 3.58Å
198	K	91.5	Very high	86.4	Confident	122 Å²	122	60.9 Å²	60.9	53%	0.53	32%	0.323	S	S	.	.	H	α-helix	trans	-60.4	-48.1	177.8	-168.4	-166.7	176.6	-144.1	0	111.5	R194 D195 I196 H200 T201 D202	R194-K198 WeakPolarHBondContact O-CB 2.94Å; R194-K198 PolarHBondContact O-N 2.87Å; D195-K198 PolarHBondContact O-N 3.25Å; I196-K198 VanDerWaalsContact C-N 3.31Å; I196-K198 PolarHBondContact O-N 3.32Å; K198-H200 PolarHBondContact O-N 2.77Å; K198-T201 WeakPolarHBondContact CA-OG1 3.49Å; K198-T201 PolarHBondContact O-N 2.77Å; K198-T201 VanDerWaalsContact O-N 3.16Å; K198-T201 PolarHBondContact O-OG1 3.2Å; K198-D202 WeakPolarHBondContact CE-OD2 3.23Å; K198-D202 IonicContact NZ-OD2 3.31Å; K198-D202 PolarHBondContact NZ-OD2 2.95Å; K198-D202 WeakPolarHBondContact O-CB 3.43Å; K198-D202 PolarHBondContact O-N 2.99Å
199	C	87.6	Confident	85.2	Confident	74 Å²	74	57.5 Å²	57.5	50%	0.5	31%	0.305	S	S	.	.	H	α-helix	trans	-56.8	-38.7	175.9	-70.5	0	0	0	0	112.3	D195 I196 A203 F214	D195-C199 PolarHBondContact O-N 3Å; D195-C199 PolarHBondContact O-SG 3.06Å; D195-C199 VanDerWaalsContact O-SG 3.37Å; I196-C199 PolarHBondContact O-N 3.47Å; C199-A203 PolarHBondContact O-N 2.94Å; C199-F214 WeakPolarHBondContact O-CZ 3.34Å
200	H	86.6	Confident	84	Confident	3 Å²	3	57.8 Å²	57.8	1%	0.014	31%	0.307	C	S	.	.	H	α-helix	trans	-68.5	-42.4	176	-173.6	-87.1	0	0	0	112.7	I196 L197 K198 S204 F214 E298 Y361 Y362 R365	I196-H200 PolarHBondContact O-N 3.17Å; I196-H200 VanDerWaalsContact O-N 3.12Å; L197-H200 WeakPolarHBondContact O-CB 3.29Å; L197-H200 PolarHBondContact O-N 2.83Å; K198-H200 PolarHBondContact O-N 2.77Å; H200-S204 PolarHBondContact O-N 3.26Å; H200-S204 PolarHBondContact O-OG 3.36Å; H200-S204 VanDerWaalsContact O-OG 3.09Å; H200-F214 VanDerWaalsContact CA-CZ 3.49Å; H200-F214 HydrophobicContact CB-CD1 4.45Å; H200-F214 HydrophobicContact CB-CE1 3.91Å; H200-F214 HydrophobicContact CB-CZ 4.14Å; H200-F214 AromaticContact CD2-CD1 3.71Å; H200-F214 AromaticContact CD2-CG 3.82Å; H200-E298 IonicContact CE1-OE1 3.19Å; H200-Y361 HydrophobicContact CB-CD1 4.1Å; H200-Y361 WeakPolarHBondContact CD2-CB 3.41Å; H200-Y361 AromaticContact CD2-CD1 3.73Å; H200-Y361 AromaticContact CD2-CD2 3.87Å; H200-Y361 AromaticContact CD2-CG 3.38Å; H200-Y361 AromaticContact CG-CG 3.98Å; H200-Y361 WeakPolarHBondContact NE2-CB 3.24Å; H200-Y361 AromaticContact NE2-CG 3.82Å; H200-Y362 AromaticContact CE1-CE2 3.91Å; H200-Y362 AromaticContact CE1-CZ 3.69Å; H200-R365 PolarHBondContact CE1-NH2 3.21Å; H200-R365 PolarHBondContact ND1-NH2 2.83Å; H200-R365 VanDerWaalsContact ND1-NH2 3.2Å
201	T	87.5	Confident	82.6	Confident	37 Å²	37	58.6 Å²	58.6	23%	0.227	31%	0.313	C	S	.	.	H	α-helix	trans	-69.1	-42.4	177.2	51.3	0	0	0	0	113	L197 K198 A203 S204 D205 L295	L197-T201 HydrophobicContact CD1-CG2 4.04Å; L197-T201 PolarHBondContact O-N 3.29Å; L197-T201 PolarHBondContact O-OG1 3.19Å; K198-T201 WeakPolarHBondContact CA-OG1 3.49Å; K198-T201 PolarHBondContact O-N 2.77Å; K198-T201 VanDerWaalsContact O-N 3.16Å; K198-T201 PolarHBondContact O-OG1 3.2Å; T201-A203 VanDerWaalsContact C-N 3.26Å; T201-A203 PolarHBondContact O-N 3.16Å; T201-S204 PolarHBondContact O-N 3Å; T201-D205 WeakPolarHBondContact O-CB 3.28Å; T201-D205 PolarHBondContact O-N 3.41Å; T201-L295 HydrophobicContact CG2-CD1 4.29Å
202	D	85.5	Confident	81.1	Confident	74 Å²	74	59 Å²	59	40%	0.396	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-36.7	-179.2	-66.7	2.7	0	0	0	110.5	K198 V206	K198-D202 WeakPolarHBondContact CE-OD2 3.23Å; K198-D202 IonicContact NZ-OD2 3.31Å; K198-D202 PolarHBondContact NZ-OD2 2.95Å; K198-D202 WeakPolarHBondContact O-CB 3.43Å; K198-D202 PolarHBondContact O-N 2.99Å; D202-V206 WeakPolarHBondContact O-CG2 3.29Å; D202-V206 PolarHBondContact O-N 3.12Å
203	A	80.4	Confident	79.7	Confident	13 Å²	13	59 Å²	59	11%	0.107	32%	0.317	C	S	.	.	H	α-helix	trans	-69.1	-42.4	175.8	0	0	0	0	0	113.4	C199 T201 D205 I208 V210 F214	C199-A203 PolarHBondContact O-N 2.94Å; T201-A203 VanDerWaalsContact C-N 3.26Å; T201-A203 PolarHBondContact O-N 3.16Å; A203-D205 VanDerWaalsContact C-N 3.29Å; A203-D205 PolarHBondContact O-N 2.91Å; A203-I208 WeakPolarHBondContact O-CB 3.46Å; A203-I208 PolarHBondContact O-N 3.1Å; A203-V210 HydrophobicContact CB-CG1 4.18Å; A203-F214 HydrophobicContact CB-CE2 3.54Å; A203-F214 HydrophobicContact CB-CZ 4.14Å
204	S	77.1	Confident	78.4	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.014	32%	0.319	C	S	.	.	H	α-helix	trans	-62	-36.3	174.3	-56	0	0	0	0	112.6	H200 T201 G207 V210 N297 E298 R365	H200-S204 PolarHBondContact O-N 3.26Å; H200-S204 PolarHBondContact O-OG 3.36Å; H200-S204 VanDerWaalsContact O-OG 3.09Å; T201-S204 PolarHBondContact O-N 3Å; S204-G207 PolarHBondContact O-N 3.5Å; S204-G207 VanDerWaalsContact O-N 3.14Å; S204-V210 VanDerWaalsContact OG-CG1 3.27Å; S204-V210 WeakPolarHBondContact OG-CG1 3.5Å; S204-N297 PolarHBondContact O-ND2 3.46Å; S204-E298 WeakPolarHBondContact CB-OE1 3.43Å; S204-E298 PolarHBondContact OG-OE1 3.08Å; S204-R365 PolarHBondContact OG-NH2 2.99Å
205	D	75.3	Confident	77	Confident	115 Å²	115	60.1 Å²	60.1	62%	0.615	33%	0.327	S	S	*	.	H	α-helix	trans	-72.9	-33.7	-175.2	-161.5	48.8	0	0	0	112.5	T201 A203 G207 N297	T201-D205 WeakPolarHBondContact O-CB 3.28Å; T201-D205 PolarHBondContact O-N 3.41Å; A203-D205 VanDerWaalsContact C-N 3.29Å; A203-D205 PolarHBondContact O-N 2.91Å; D205-G207 PolarHBondContact O-N 2.9Å; D205-G207 VanDerWaalsContact O-N 3.09Å; D205-N297 PolarHBondContact O-ND2 3.47Å
206	V	72.6	Confident	76	Confident	113 Å²	113	58.3 Å²	58.3	69%	0.685	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	2.1	171.1	-178.5	0	0	0	0	112.1	D202 I208	D202-V206 WeakPolarHBondContact O-CG2 3.29Å; D202-V206 PolarHBondContact O-N 3.12Å; V206-I208 HydrophobicContact CB-CD1 4.2Å; V206-I208 HydrophobicContact CB-CG1 4.03Å; V206-I208 HydrophobicContact CG1-CD1 4.01Å; V206-I208 HydrophobicContact CG1-CG1 3.88Å; V206-I208 PolarHBondContact O-N 3.43Å
207	G	66.1	Low	75.1	Confident	27 Å²	27	58.1 Å²	58.1	28%	0.278	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	15.1	-179.4	0	0	0	0	0	113.1	S204 D205 Y301	S204-G207 PolarHBondContact O-N 3.5Å; S204-G207 VanDerWaalsContact O-N 3.14Å; D205-G207 PolarHBondContact O-N 2.9Å; D205-G207 VanDerWaalsContact O-N 3.09Å; G207-Y301 PolarHBondContact O-OH 3.16Å
208	I	67.8	Low	74.5	Confident	79 Å²	79	57.3 Å²	57.3	41%	0.405	31%	0.308	S	S	.	.			trans	-73.9	131.7	175.1	-47.3	173.8	0	0	0	107.5	A203 V206 V210 V213	A203-I208 WeakPolarHBondContact O-CB 3.46Å; A203-I208 PolarHBondContact O-N 3.1Å; V206-I208 HydrophobicContact CB-CD1 4.2Å; V206-I208 HydrophobicContact CB-CG1 4.03Å; V206-I208 HydrophobicContact CG1-CD1 4.01Å; V206-I208 HydrophobicContact CG1-CG1 3.88Å; V206-I208 PolarHBondContact O-N 3.43Å; I208-V210 PolarHBondContact O-N 2.67Å; I208-V213 HydrophobicContact CB-CG2 4.46Å; I208-V213 HydrophobicContact CG2-CG2 3.44Å; I208-V213 VanDerWaalsContact CG2-CG2 3.44Å
209	D	66.3	Low	74.3	Confident	33 Å²	33	51.5 Å²	51.5	18%	0.176	28%	0.283	C	S	.	.			trans	-59.2	101.6	171	179.2	-6.8	0	0	0	109.7	S211 K212 V213	D209-S211 VanDerWaalsContact CG-OG 3.29Å; D209-S211 PolarHBondContact O-N 3.3Å; D209-S211 VanDerWaalsContact O-N 3.13Å; D209-S211 VanDerWaalsContact OD1-CB 3.3Å; D209-S211 WeakPolarHBondContact OD1-CB 3.44Å; D209-S211 PolarHBondContact OD1-N 2.74Å; D209-S211 PolarHBondContact OD1-OG 3Å; D209-S211 PolarHBondContact OD2-OG 2.67Å; D209-K212 HydrophobicContact CB-CB 4.5Å; D209-K212 HydrophobicContact CB-CD 4.12Å; D209-K212 HydrophobicContact CB-CG 4.17Å; D209-K212 WeakPolarHBondContact O-CB 3.34Å; D209-K212 PolarHBondContact O-N 2.73Å; D209-K212 WeakPolarHBondContact OD2-CE 3.44Å; D209-K212 IonicContact OD2-NZ 3.43Å; D209-K212 PolarHBondContact OD2-NZ 3.38Å; D209-V213 PolarHBondContact O-N 2.77Å
210	V	68.1	Low	74.6	Confident	16 Å²	16	48 Å²	48	10%	0.097	26%	0.259	C	S	.	.	H	α-helix	trans	-60.4	-23.3	-178	-73.1	0	0	0	0	112.5	A203 S204 I208 K212 V213 F214	A203-V210 HydrophobicContact CB-CG1 4.18Å; S204-V210 VanDerWaalsContact OG-CG1 3.27Å; S204-V210 WeakPolarHBondContact OG-CG1 3.5Å; I208-V210 PolarHBondContact O-N 2.67Å; V210-K212 PolarHBondContact O-N 3.17Å; V210-V213 PolarHBondContact O-N 3Å; V210-F214 HydrophobicContact CB-CD2 4.03Å; V210-F214 HydrophobicContact CG1-CD2 4.15Å; V210-F214 HydrophobicContact CG1-CE2 4.34Å; V210-F214 WeakPolarHBondContact O-CA 3.49Å; V210-F214 WeakPolarHBondContact O-CB 3.48Å; V210-F214 PolarHBondContact O-N 2.85Å
211	S	64	Low	74.9	Confident	56 Å²	56	48.5 Å²	48.5	39%	0.392	26%	0.262	S	S	.	.	H	α-helix	trans	-67.2	-24.2	174.3	77.1	0	0	0	0	113.1	D209	D209-S211 VanDerWaalsContact CG-OG 3.29Å; D209-S211 PolarHBondContact O-N 3.3Å; D209-S211 VanDerWaalsContact O-N 3.13Å; D209-S211 VanDerWaalsContact OD1-CB 3.3Å; D209-S211 WeakPolarHBondContact OD1-CB 3.44Å; D209-S211 PolarHBondContact OD1-N 2.74Å; D209-S211 PolarHBondContact OD1-OG 3Å; D209-S211 PolarHBondContact OD2-OG 2.67Å
212	K	63.6	Low	74.9	Confident	169 Å²	169	47.6 Å²	47.6	74%	0.735	26%	0.255	S	S	*	.	H	α-helix	trans	-85.9	-21.5	175.7	-63.1	-177.1	177.8	105.9	0	113.4	D209 V210	D209-K212 HydrophobicContact CB-CB 4.5Å; D209-K212 HydrophobicContact CB-CD 4.12Å; D209-K212 HydrophobicContact CB-CG 4.17Å; D209-K212 WeakPolarHBondContact O-CB 3.34Å; D209-K212 PolarHBondContact O-N 2.73Å; D209-K212 WeakPolarHBondContact OD2-CE 3.44Å; D209-K212 IonicContact OD2-NZ 3.43Å; D209-K212 PolarHBondContact OD2-NZ 3.38Å; V210-K212 PolarHBondContact O-N 3.17Å
213	V	64.2	Low	75.2	Confident	64 Å²	64	44 Å²	44	39%	0.388	24%	0.236	S	C	.	.	H	α-helix	trans	-101.3	-37.5	-177.3	-179.1	0	0	0	0	112.3	I208 D209 V210	I208-V213 HydrophobicContact CB-CG2 4.46Å; I208-V213 HydrophobicContact CG2-CG2 3.44Å; I208-V213 VanDerWaalsContact CG2-CG2 3.44Å; D209-V213 PolarHBondContact O-N 2.77Å; V210-V213 PolarHBondContact O-N 3Å
214	F	68.4	Low	75.9	Confident	9 Å²	9	43.4 Å²	43.4	4%	0.039	23%	0.231	C	C	.	.	S	Bend	trans	-103.9	101.1	-177.6	-66.9	-100.3	0	0	0	109.3	C199 H200 A203 V210 Y216 Y361 C409	C199-F214 WeakPolarHBondContact O-CZ 3.34Å; H200-F214 VanDerWaalsContact CA-CZ 3.49Å; H200-F214 HydrophobicContact CB-CD1 4.45Å; H200-F214 HydrophobicContact CB-CE1 3.91Å; H200-F214 HydrophobicContact CB-CZ 4.14Å; H200-F214 AromaticContact CD2-CD1 3.71Å; H200-F214 AromaticContact CD2-CG 3.82Å; A203-F214 HydrophobicContact CB-CE2 3.54Å; A203-F214 HydrophobicContact CB-CZ 4.14Å; V210-F214 HydrophobicContact CB-CD2 4.03Å; V210-F214 HydrophobicContact CG1-CD2 4.15Å; V210-F214 HydrophobicContact CG1-CE2 4.34Å; V210-F214 WeakPolarHBondContact O-CA 3.49Å; V210-F214 WeakPolarHBondContact O-CB 3.48Å; V210-F214 PolarHBondContact O-N 2.85Å; F214-Y216 WeakPolarHBondContact O-CD1 3.32Å; F214-Y216 PolarHBondContact O-N 3.1Å; F214-Y361 HydrophobicContact CB-CE2 4.11Å; F214-Y361 HydrophobicContact CD1-CD1 4.26Å; F214-Y361 AromaticContact CD1-CE1 3.75Å; F214-Y361 HydrophobicContact CD1-CE1 3.75Å; F214-Y361 HydrophobicContact CD1-CE2 4.08Å; F214-Y361 AromaticContact CD1-CZ 3.67Å; F214-Y361 HydrophobicContact CE1-CE1 4.23Å; F214-C409 HydrophobicContact CD1-CB 4.4Å; F214-C409 WeakPolarHBondContact CD1-SG 3.44Å; F214-C409 HydrophobicContact CE1-CB 4.15Å; F214-C409 WeakPolarHBondContact CE1-SG 3.43Å
215	Q	65.6	Low	76.6	Confident	129 Å²	129	43.8 Å²	43.8	60%	0.603	23%	0.232	S	C	*	.			trans	-71.1	115.1	169.2	-163.5	179.6	10	0	0	108.8	Y321	Q215-Y321 VanDerWaalsContact CD-OH 3.31Å; Q215-Y321 HydrophobicContact CG-CE2 3.82Å; Q215-Y321 PolarHBondContact NE2-OH 3.45Å
216	Y	73.5	Confident	77.2	Confident	41 Å²	41	44 Å²	44	16%	0.161	23%	0.228	C	C	.	.			trans	-116.4	150.2	173.7	53.5	-99.9	0	0	0	109.9	F214 F306 L310 P359	F214-Y216 WeakPolarHBondContact O-CD1 3.32Å; F214-Y216 PolarHBondContact O-N 3.1Å; Y216-F306 WeakPolarHBondContact OH-CZ 3.48Å; Y216-L310 HydrophobicContact CD2-CD1 3.77Å; Y216-L310 HydrophobicContact CD2-CD2 3.85Å; Y216-L310 HydrophobicContact CD2-CG 4.09Å; Y216-L310 HydrophobicContact CE2-CD1 3.84Å; Y216-L310 HydrophobicContact CE2-CD2 3.91Å; Y216-L310 HydrophobicContact CE2-CG 3.86Å; Y216-P359 HydrophobicContact CD1-CB 3.98Å; Y216-P359 HydrophobicContact CD1-CG 3.4Å; Y216-P359 VanDerWaalsContact CD1-CG 3.4Å; Y216-P359 HydrophobicContact CD2-CB 4.3Å; Y216-P359 HydrophobicContact CD2-CG 3.7Å; Y216-P359 HydrophobicContact CE1-CG 3.6Å; Y216-P359 HydrophobicContact CE2-CG 3.89Å; Y216-P359 HydrophobicContact CG-CB 3.8Å; Y216-P359 HydrophobicContact CG-CG 3.46Å; Y216-P359 VanDerWaalsContact CG-CG 3.46Å
217	W	73.8	Confident	78.2	Confident	27 Å²	27	38.8 Å²	38.8	10%	0.102	20%	0.196	C	C	.	.			trans	-131.4	-4.2	-175	64.1	-93.8	0	0	0	113.1	Y321 I328 F404 W405	W217-Y321 HydrophobicContact CB-CD1 4.21Å; W217-Y321 HydrophobicContact CB-CD2 3.83Å; W217-Y321 HydrophobicContact CB-CE1 3.94Å; W217-Y321 HydrophobicContact CB-CE2 3.52Å; W217-Y321 HydrophobicContact CB-CG 4.15Å; W217-I328 HydrophobicContact CZ3-CD1 3.98Å; W217-F404 HydrophobicContact CH2-CD1 4.2Å; W217-F404 AromaticContact CH2-CE1 3.41Å; W217-F404 HydrophobicContact CH2-CE1 3.41Å; W217-F404 VanDerWaalsContact CH2-CE1 3.41Å; W217-F404 HydrophobicContact CH2-CE2 4.1Å; W217-F404 AromaticContact CH2-CZ 3.34Å; W217-F404 HydrophobicContact CH2-CZ 3.34Å; W217-F404 AromaticContact CZ2-CD1 3.84Å; W217-F404 HydrophobicContact CZ2-CD1 3.84Å; W217-F404 HydrophobicContact CZ2-CD2 4.22Å; W217-F404 AromaticContact CZ2-CE1 3.5Å; W217-F404 HydrophobicContact CZ2-CE1 3.5Å; W217-F404 VanDerWaalsContact CZ2-CE1 3.5Å; W217-F404 AromaticContact CZ2-CE2 3.89Å; W217-F404 HydrophobicContact CZ2-CE2 3.89Å; W217-F404 HydrophobicContact CZ2-CG 4.19Å; W217-F404 AromaticContact CZ2-CZ 3.52Å; W217-F404 HydrophobicContact CZ2-CZ 3.52Å; W217-F404 HydrophobicContact CZ3-CZ 4.41Å; W217-F404 PolarHBondContact NE1-O 3.45Å; W217-W405 AromaticContact CH2-CE3 3.78Å; W217-W405 HydrophobicContact CH2-CE3 3.78Å; W217-W405 HydrophobicContact CH2-CH2 4.16Å; W217-W405 AromaticContact CH2-CZ3 3.33Å; W217-W405 HydrophobicContact CH2-CZ3 3.33Å; W217-W405 AromaticContact CZ2-CE3 3.56Å; W217-W405 HydrophobicContact CZ2-CE3 3.56Å; W217-W405 AromaticContact CZ2-CZ3 3.65Å; W217-W405 HydrophobicContact CZ2-CZ3 3.65Å; W217-W405 HydrophobicContact CZ3-CZ3 4.24Å
218	C	79.8	Confident	79.5	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.182	C	C	.	.			trans	-142.9	159.3	-177	59.3	0	0	0	0	111.8	Q222 P360 W405	C218-Q222 HydrophobicContact CB-CB 4.4Å; C218-P360 VanDerWaalsContact O-CD 3.28Å; C218-P360 WeakPolarHBondContact O-CD 3.45Å; C218-W405 HydrophobicContact CB-CZ3 4.35Å
219	S	87.5	Confident	80.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.179	C	C	.	.			trans	-99.9	165.1	175.6	68	0	0	0	0	112.9	L221 Q222 V223 C355 L356 Y358	S219-L221 VanDerWaalsContact C-N 3.26Å; S219-L221 PolarHBondContact O-N 3.43Å; S219-Q222 PolarHBondContact O-N 3.3Å; S219-Q222 VanDerWaalsContact O-N 3.13Å; S219-V223 PolarHBondContact O-N 3.01Å; S219-C355 WeakPolarHBondContact CB-O 3.48Å; S219-C355 PolarHBondContact OG-O 3.46Å; S219-L356 WeakPolarHBondContact CB-O 3.47Å; S219-L356 PolarHBondContact OG-O 2.86Å; S219-Y358 WeakPolarHBondContact CA-O 3.34Å
220	V	92.7	Very high	81.4	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-52.5	-42.9	175.1	170.1	0	0	0	0	112.3	Q222 V223 L224 F285 C355 Y358 L363	V220-Q222 VanDerWaalsContact C-N 3.31Å; V220-Q222 PolarHBondContact O-N 3.02Å; V220-V223 PolarHBondContact O-N 3.33Å; V220-L224 HydrophobicContact CG1-CD1 3.83Å; V220-L224 HydrophobicContact CG1-CG 4.46Å; V220-L224 WeakPolarHBondContact O-CG 3.42Å; V220-L224 PolarHBondContact O-N 3.28Å; V220-L224 VanDerWaalsContact O-N 3.15Å; V220-F285 HydrophobicContact CB-CD1 4.36Å; V220-F285 HydrophobicContact CB-CE1 4.34Å; V220-F285 HydrophobicContact CG1-CB 4.48Å; V220-F285 HydrophobicContact CG1-CD1 4.12Å; V220-F285 HydrophobicContact CG1-CD2 4.33Å; V220-F285 HydrophobicContact CG1-CG 4.02Å; V220-F285 HydrophobicContact CG2-CD1 4.31Å; V220-F285 HydrophobicContact CG2-CD2 4.34Å; V220-F285 HydrophobicContact CG2-CE1 3.92Å; V220-F285 HydrophobicContact CG2-CE2 3.96Å; V220-F285 HydrophobicContact CG2-CZ 3.75Å; V220-C355 PolarHBondContact N-O 3.09Å; V220-Y358 PolarHBondContact N-O 3.33Å; V220-L363 HydrophobicContact CG1-CB 4.37Å; V220-L363 HydrophobicContact CG1-CD1 4.08Å; V220-L363 HydrophobicContact CG1-CD2 4.26Å; V220-L363 HydrophobicContact CG1-CG 4.48Å; V220-L363 HydrophobicContact CG2-CB 4.07Å
221	L	92.2	Very high	82.4	Confident	14 Å²	14	36.9 Å²	36.9	7%	0.073	19%	0.188	C	C	.	.	H	α-helix	trans	-58.9	-41.7	179.2	180	67.4	0	0	0	111.8	S219 L224 Q225 R282 L341 L342 C355 L356	S219-L221 VanDerWaalsContact C-N 3.26Å; S219-L221 PolarHBondContact O-N 3.43Å; L221-L224 PolarHBondContact O-N 3.44Å; L221-Q225 VanDerWaalsContact O-CB 3.26Å; L221-Q225 WeakPolarHBondContact O-CB 3.36Å; L221-Q225 PolarHBondContact O-N 3.42Å; L221-R282 HydrophobicContact CD1-CG 4.35Å; L221-L341 HydrophobicContact CD1-CB 3.95Å; L221-L342 HydrophobicContact CD1-CB 3.88Å; L221-L342 HydrophobicContact CD2-CB 4.04Å; L221-L342 HydrophobicContact CD2-CD2 3.97Å; L221-C355 HydrophobicContact CB-CB 4.29Å; L221-C355 VanDerWaalsContact CB-O 3.26Å; L221-C355 WeakPolarHBondContact CB-O 3.35Å; L221-C355 PolarHBondContact N-O 3.15Å; L221-L356 HydrophobicContact CD2-CD2 3.51Å; L221-L356 HydrophobicContact CD2-CG 4.49Å
222	Q	87.9	Confident	83.5	Confident	18 Å²	18	37.4 Å²	37.4	8%	0.084	19%	0.19	C	C	.	.	H	α-helix	trans	-68.6	-38.5	-177.9	-68.6	172.1	-46.4	0	0	112.5	C218 S219 V220 Q225 K226 A316	C218-Q222 HydrophobicContact CB-CB 4.4Å; S219-Q222 PolarHBondContact O-N 3.3Å; S219-Q222 VanDerWaalsContact O-N 3.13Å; V220-Q222 VanDerWaalsContact C-N 3.31Å; V220-Q222 PolarHBondContact O-N 3.02Å; Q222-Q225 PolarHBondContact O-N 2.83Å; Q222-K226 WeakPolarHBondContact O-CB 3.09Å; Q222-K226 PolarHBondContact O-N 2.99Å; Q222-A316 HydrophobicContact CG-CB 4.17Å; Q222-A316 PolarHBondContact NE2-O 2.86Å; Q222-A316 PolarHBondContact OE1-O 3.29Å
223	V	92	Very high	83.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-43.7	176.5	-178.1	0	0	0	0	110.7	S219 V220 Y227 P360 F394 L398 W405	S219-V223 PolarHBondContact O-N 3.01Å; V220-V223 PolarHBondContact O-N 3.33Å; V223-Y227 WeakPolarHBondContact O-CB 3.4Å; V223-Y227 PolarHBondContact O-N 3.22Å; V223-Y227 VanDerWaalsContact O-N 3.14Å; V223-P360 HydrophobicContact CG2-CB 3.81Å; V223-P360 HydrophobicContact CG2-CG 4.29Å; V223-F394 HydrophobicContact CG1-CZ 4.45Å; V223-L398 HydrophobicContact CG1-CD2 3.49Å; V223-L398 VanDerWaalsContact CG1-CD2 3.49Å; V223-W405 HydrophobicContact CG1-CD2 4.27Å; V223-W405 HydrophobicContact CG1-CG 4.47Å; V223-W405 HydrophobicContact CG2-CD2 3.9Å; V223-W405 HydrophobicContact CG2-CE3 3.6Å; V223-W405 HydrophobicContact CG2-CG 4.44Å; V223-W405 HydrophobicContact CG2-CH2 4.5Å; V223-W405 HydrophobicContact CG2-CZ3 3.9Å
224	L	95.3	Very high	84	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65	-46.9	175.9	-67.8	170.2	0	0	0	111.9	V220 L221 Y227 V228 C278 L281 R282 L341 L363 F394	V220-L224 HydrophobicContact CG1-CD1 3.83Å; V220-L224 HydrophobicContact CG1-CG 4.46Å; V220-L224 WeakPolarHBondContact O-CG 3.42Å; V220-L224 PolarHBondContact O-N 3.28Å; V220-L224 VanDerWaalsContact O-N 3.15Å; L221-L224 PolarHBondContact O-N 3.44Å; L224-Y227 PolarHBondContact O-N 3.12Å; L224-V228 WeakPolarHBondContact O-CG2 3.45Å; L224-V228 PolarHBondContact O-N 3.18Å; L224-C278 HydrophobicContact CB-CB 4.49Å; L224-C278 HydrophobicContact CD2-CB 4.31Å; L224-L281 HydrophobicContact CD1-CB 4.4Å; L224-L281 HydrophobicContact CD2-CB 4.15Å; L224-L281 HydrophobicContact CD2-CD1 3.95Å; L224-R282 HydrophobicContact CD1-CB 3.97Å; L224-L341 HydrophobicContact CB-CD1 3.53Å; L224-L363 HydrophobicContact CD2-CD2 4.28Å; L224-L363 HydrophobicContact CG-CD2 4.37Å; L224-F394 HydrophobicContact CD2-CE1 3.88Å; L224-F394 HydrophobicContact CD2-CE2 4.16Å; L224-F394 HydrophobicContact CD2-CZ 3.56Å
225	Q	91	Very high	83.8	Confident	10 Å²	10	42.5 Å²	42.5	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-44.8	179.9	-173.1	63.1	60.3	0	0	111.1	L221 Q222 Y227 V228 D229 F334 Y339 L341	L221-Q225 VanDerWaalsContact O-CB 3.26Å; L221-Q225 WeakPolarHBondContact O-CB 3.36Å; L221-Q225 PolarHBondContact O-N 3.42Å; Q222-Q225 PolarHBondContact O-N 2.83Å; Q225-Y227 VanDerWaalsContact C-N 3.29Å; Q225-Y227 PolarHBondContact O-N 2.92Å; Q225-V228 PolarHBondContact O-N 2.79Å; Q225-V228 VanDerWaalsContact O-N 3.16Å; Q225-D229 PolarHBondContact NE2-OD1 3.48Å; Q225-D229 VanDerWaalsContact NE2-OD1 3.08Å; Q225-D229 PolarHBondContact NE2-OD2 3.2Å; Q225-D229 WeakPolarHBondContact O-CB 3.44Å; Q225-D229 VanDerWaalsContact O-CG 3.23Å; Q225-D229 PolarHBondContact O-N 3.13Å; Q225-F334 HydrophobicContact CG-CE1 3.99Å; Q225-Y339 PolarHBondContact NE2-O 3.04Å; Q225-Y339 PolarHBondContact OE1-O 3.48Å; Q225-L341 HydrophobicContact CB-CD1 4.4Å
226	K	89.2	Confident	84.4	Confident	118 Å²	118	37.6 Å²	37.6	51%	0.513	19%	0.193	S	C	.	.	H	α-helix	trans	-63	-35	178.7	-169.3	64	170	-174.9	0	112.4	Q222 G230 W405	Q222-K226 WeakPolarHBondContact O-CB 3.09Å; Q222-K226 PolarHBondContact O-N 2.99Å; K226-G230 PolarHBondContact O-N 2.95Å; K226-W405 HydrophobicContact CB-CH2 3.89Å; K226-W405 HydrophobicContact CB-CZ2 4.08Å; K226-W405 HydrophobicContact CG-CH2 3.89Å; K226-W405 HydrophobicContact CG-CZ2 3.92Å
227	Y	93.6	Very high	84.7	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-49.4	172	173.4	-116	0	0	0	111.7	V223 L224 Q225 D229 G230 F231 C274 C278 M393 F394 Y397	V223-Y227 WeakPolarHBondContact O-CB 3.4Å; V223-Y227 PolarHBondContact O-N 3.22Å; V223-Y227 VanDerWaalsContact O-N 3.14Å; L224-Y227 PolarHBondContact O-N 3.12Å; Q225-Y227 VanDerWaalsContact C-N 3.29Å; Q225-Y227 PolarHBondContact O-N 2.92Å; Y227-D229 VanDerWaalsContact C-N 3.25Å; Y227-D229 PolarHBondContact O-N 3.3Å; Y227-G230 CarbonylContact O-C 3.53Å; Y227-G230 PolarHBondContact O-N 3.06Å; Y227-F231 HydrophobicContact CE1-CD2 4.25Å; Y227-F231 AromaticContact CE2-CD2 3.96Å; Y227-F231 HydrophobicContact CE2-CD2 3.96Å; Y227-F231 HydrophobicContact CE2-CE2 4.4Å; Y227-F231 AromaticContact CZ-CD2 3.71Å; Y227-F231 AromaticContact CZ-CE2 3.88Å; Y227-F231 WeakPolarHBondContact O-CB 3.36Å; Y227-F231 PolarHBondContact O-N 3.11Å; Y227-F231 WeakPolarHBondContact OH-CE2 3.48Å; Y227-C274 WeakPolarHBondContact CE1-SG 3.33Å; Y227-C278 VanDerWaalsContact CD1-SG 3.59Å; Y227-M393 WeakPolarHBondContact OH-CB 3.18Å; Y227-F394 HydrophobicContact CD1-CB 4.38Å; Y227-F394 AromaticContact CD1-CD2 3.37Å; Y227-F394 HydrophobicContact CD1-CD2 3.37Å; Y227-F394 AromaticContact CD1-CE2 3.99Å; Y227-F394 HydrophobicContact CD1-CE2 3.99Å; Y227-F394 HydrophobicContact CD1-CG 4.18Å; Y227-F394 AromaticContact CD2-CD2 3.99Å; Y227-F394 HydrophobicContact CD2-CD2 3.99Å; Y227-F394 HydrophobicContact CE1-CB 3.73Å; Y227-F394 AromaticContact CE1-CD2 3.62Å; Y227-F394 HydrophobicContact CE1-CD2 3.62Å; Y227-F394 HydrophobicContact CE1-CG 4.03Å; Y227-F394 HydrophobicContact CE2-CD2 4.22Å; Y227-F394 AromaticContact CG-CD2 3.54Å; Y227-F394 HydrophobicContact CG-CD2 3.54Å; Y227-F394 AromaticContact CG-CE2 3.97Å; Y227-F394 HydrophobicContact CG-CE2 3.97Å; Y227-F394 PolarHBondContact OH-N 3.21Å; Y227-Y397 AromaticContact CD2-CD1 3.52Å; Y227-Y397 HydrophobicContact CD2-CD1 3.52Å; Y227-Y397 AromaticContact CD2-CD2 3.87Å; Y227-Y397 HydrophobicContact CD2-CD2 3.87Å; Y227-Y397 AromaticContact CD2-CE1 3.99Å; Y227-Y397 HydrophobicContact CD2-CE1 3.99Å; Y227-Y397 HydrophobicContact CD2-CE2 4.29Å; Y227-Y397 AromaticContact CD2-CG 3.43Å; Y227-Y397 HydrophobicContact CD2-CG 3.43Å; Y227-Y397 VanDerWaalsContact CD2-CG 3.43Å; Y227-Y397 HydrophobicContact CE2-CD1 4.29Å; Y227-Y397 HydrophobicContact CE2-CD2 4.48Å; Y227-Y397 AromaticContact CE2-CG 3.93Å; Y227-Y397 HydrophobicContact CE2-CG 3.93Å; Y227-Y397 HydrophobicContact CG-CD1 4Å; Y227-Y397 HydrophobicContact CG-CE1 4.19Å; Y227-Y397 HydrophobicContact CG-CG 4.36Å
228	V	92.5	Very high	85.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-34.5	176.8	171.3	0	0	0	0	112	L224 Q225 R271 A275 C278 L341	L224-V228 WeakPolarHBondContact O-CG2 3.45Å; L224-V228 PolarHBondContact O-N 3.18Å; Q225-V228 PolarHBondContact O-N 2.79Å; Q225-V228 VanDerWaalsContact O-N 3.16Å; V228-R271 VanDerWaalsContact O-CZ 3.28Å; V228-R271 PolarHBondContact O-NE 3.44Å; V228-R271 PolarHBondContact O-NH2 3.27Å; V228-A275 HydrophobicContact CG1-CB 3.88Å; V228-C278 HydrophobicContact CG2-CB 3.54Å; V228-L341 HydrophobicContact CG2-CD1 4.25Å; V228-L341 HydrophobicContact CG2-CD2 4.23Å
229	D	86.7	Confident	85	Confident	64 Å²	64	39.8 Å²	39.8	34%	0.342	21%	0.211	S	C	.	.	H	α-helix	trans	-72.5	-33.9	177.4	-69.5	-24.2	0	0	0	113.5	Q225 Y227 R271	Q225-D229 PolarHBondContact NE2-OD1 3.48Å; Q225-D229 VanDerWaalsContact NE2-OD1 3.08Å; Q225-D229 PolarHBondContact NE2-OD2 3.2Å; Q225-D229 WeakPolarHBondContact O-CB 3.44Å; Q225-D229 VanDerWaalsContact O-CG 3.23Å; Q225-D229 PolarHBondContact O-N 3.13Å; Y227-D229 VanDerWaalsContact C-N 3.25Å; Y227-D229 PolarHBondContact O-N 3.3Å; D229-R271 IonicContact OD1-NH2 2.67Å; D229-R271 PolarHBondContact OD1-NH2 3.23Å
230	G	87.2	Confident	84.4	Confident	39 Å²	39	42.4 Å²	42.4	40%	0.402	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	4.7	174.9	0	0	0	0	0	115.1	K226 Y227 P232	K226-G230 PolarHBondContact O-N 2.95Å; Y227-G230 CarbonylContact O-C 3.53Å; Y227-G230 PolarHBondContact O-N 3.06Å; G230-P232 CarbonylContact O-C 3.55Å
231	F	89.9	Confident	83.5	Confident	13 Å²	13	46.8 Å²	46.8	6%	0.057	25%	0.253	C	S	.	.			trans	-82.5	135.3	-174.3	-163.9	-92.7	0	0	0	112.5	Y227 D268 R271 C274 H390 M393	Y227-F231 HydrophobicContact CE1-CD2 4.25Å; Y227-F231 AromaticContact CE2-CD2 3.96Å; Y227-F231 HydrophobicContact CE2-CD2 3.96Å; Y227-F231 HydrophobicContact CE2-CE2 4.4Å; Y227-F231 AromaticContact CZ-CD2 3.71Å; Y227-F231 AromaticContact CZ-CE2 3.88Å; Y227-F231 WeakPolarHBondContact O-CB 3.36Å; Y227-F231 PolarHBondContact O-N 3.11Å; Y227-F231 WeakPolarHBondContact OH-CE2 3.48Å; F231-D268 WeakPolarHBondContact CE1-O 3.26Å; F231-D268 WeakPolarHBondContact CZ-O 3.32Å; F231-R271 HydrophobicContact CB-CG 4.39Å; F231-R271 HydrophobicContact CD1-CB 4.05Å; F231-R271 HydrophobicContact CD1-CG 4.37Å; F231-C274 HydrophobicContact CD1-CB 3.68Å; F231-C274 HydrophobicContact CD2-CB 4.08Å; F231-C274 WeakPolarHBondContact CD2-SG 3.37Å; F231-C274 HydrophobicContact CE1-CB 3.71Å; F231-C274 HydrophobicContact CE2-CB 4.13Å; F231-C274 HydrophobicContact CG-CB 3.84Å; F231-C274 VanDerWaalsContact CG-SG 3.52Å; F231-C274 HydrophobicContact CZ-CB 3.93Å; F231-H390 AromaticContact CZ-ND1 3.92Å; F231-M393 HydrophobicContact CE2-CE 4.25Å; F231-M393 HydrophobicContact CE2-SD 4.31Å; F231-M393 HydrophobicContact CZ-CE 3.93Å; F231-M393 HydrophobicContact CZ-SD 4.27Å
232	P	86.9	Confident	82.5	Confident	66 Å²	66	48 Å²	48	43%	0.429	26%	0.259	S	S	.	.	S	Bend	cis	-77.8	131.4	4.6	31.2	-36	0	0	0	113.7	G230 Q269	G230-P232 CarbonylContact O-C 3.55Å; P232-Q269 VanDerWaalsContact CB-OE1 3.24Å; P232-Q269 VanDerWaalsContact CG-OE1 3.23Å
233	Y	71.3	Confident	81.3	Confident	92 Å²	92	49.3 Å²	49.3	36%	0.361	28%	0.277	S	S	.	.			trans	-96.3	106.1	179.6	-167	-87.9	0	0	0	111	Y397 T401	Y233-Y397 AromaticContact CD1-CD2 3.64Å; Y233-Y397 HydrophobicContact CD1-CD2 3.64Å; Y233-Y397 HydrophobicContact CD1-CG 4.45Å; Y233-Y397 AromaticContact CD2-CD2 3.66Å; Y233-Y397 HydrophobicContact CD2-CD2 3.66Å; Y233-Y397 AromaticContact CD2-CE2 3.82Å; Y233-Y397 HydrophobicContact CD2-CE2 3.82Å; Y233-Y397 AromaticContact CE1-CD2 3.71Å; Y233-Y397 HydrophobicContact CE1-CD2 3.71Å; Y233-Y397 HydrophobicContact CE1-CE2 4.45Å; Y233-Y397 AromaticContact CE2-CD2 3.72Å; Y233-Y397 HydrophobicContact CE2-CD2 3.72Å; Y233-Y397 AromaticContact CE2-CE2 3.7Å; Y233-Y397 HydrophobicContact CE2-CE2 3.7Å; Y233-Y397 AromaticContact CG-CD2 3.6Å; Y233-Y397 HydrophobicContact CG-CD2 3.6Å; Y233-Y397 HydrophobicContact CG-CE2 4.25Å; Y233-Y397 AromaticContact CZ-CD2 3.74Å; Y233-T401 WeakPolarHBondContact OH-CG2 3.37Å
234	S	66	Low	79.4	Confident	57 Å²	57	50.4 Å²	50.4	40%	0.399	28%	0.284	S	S	.	.	S	Bend	trans	70	152.8	-179.4	78.2	0	0	0	0	117	L236 H396	S234-L236 PolarHBondContact O-N 3.12Å; S234-H396 PolarHBondContact OG-CE1 3.39Å; S234-H396 VanDerWaalsContact OG-CE1 3.26Å
235	E	66	Low	77.1	Confident	200 Å²	200	53.3 Å²	53.3	94%	0.935	31%	0.305	S	S	*	.			trans	-77.2	54.1	174.5	-63	-179.8	-177.3	0	0	111.5	N237	E235-N237 PolarHBondContact O-N 2.75Å; E235-N237 VanDerWaalsContact O-N 3.1Å
236	L	78	Confident	74.9	Confident	27 Å²	27	57.2 Å²	57.2	14%	0.141	33%	0.334	C	S	.	.			trans	-69.9	106.4	-179.2	-168.4	64.9	0	0	0	110.3	S234 I238 Y392 M393 H396	S234-L236 PolarHBondContact O-N 3.12Å; L236-I238 VanDerWaalsContact C-N 3.35Å; L236-I238 HydrophobicContact CD2-CG1 4.48Å; L236-I238 HydrophobicContact CG-CG1 4.39Å; L236-I238 PolarHBondContact O-N 2.67Å; L236-Y392 HydrophobicContact CD2-CD1 4.16Å; L236-Y392 HydrophobicContact CD2-CE1 3.89Å; L236-M393 HydrophobicContact CD2-CG 4.17Å; L236-H396 WeakPolarHBondContact CD1-NE2 3.23Å; L236-H396 HydrophobicContact CD2-CB 4.03Å
237	N	79.7	Confident	72.7	Confident	99 Å²	99	56.6 Å²	56.6	53%	0.529	34%	0.344	S	S	.	.			trans	-82.7	79.3	178.6	-171	-11	0	0	0	111.1	E235 S239 A240 E241	E235-N237 PolarHBondContact O-N 2.75Å; E235-N237 VanDerWaalsContact O-N 3.1Å; N237-S239 PolarHBondContact O-N 3.03Å; N237-S239 VanDerWaalsContact O-N 3.14Å; N237-S239 PolarHBondContact OD1-N 3.48Å; N237-A240 HydrophobicContact CB-CB 4.21Å; N237-A240 WeakPolarHBondContact O-CB 3.31Å; N237-A240 PolarHBondContact O-N 3.34Å; N237-A240 PolarHBondContact OD1-N 2.9Å; N237-E241 PolarHBondContact O-N 2.86Å
238	I	82.8	Confident	70.2	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.01	39%	0.386	C	S	.	.	H	α-helix	trans	-55.6	-31.5	178.7	-50.2	174.7	0	0	0	111.7	V185 L236 A240 E241 L242 R389 M393	V185-I238 HydrophobicContact CG2-CG2 3.46Å; V185-I238 VanDerWaalsContact CG2-CG2 3.46Å; L236-I238 VanDerWaalsContact C-N 3.35Å; L236-I238 HydrophobicContact CD2-CG1 4.48Å; L236-I238 HydrophobicContact CG-CG1 4.39Å; L236-I238 PolarHBondContact O-N 2.67Å; I238-A240 VanDerWaalsContact C-N 3.26Å; I238-A240 PolarHBondContact O-N 3.34Å; I238-E241 PolarHBondContact O-N 3.16Å; I238-L242 HydrophobicContact CG2-CD1 4Å; I238-L242 HydrophobicContact CG2-CG 4.3Å; I238-L242 WeakPolarHBondContact O-CB 3.33Å; I238-L242 WeakPolarHBondContact O-CG 3.46Å; I238-L242 PolarHBondContact O-N 3.41Å; I238-R389 HydrophobicContact CD1-CB 4.05Å; I238-R389 HydrophobicContact CD1-CG 4.41Å; I238-R389 HydrophobicContact CG2-CG 4.45Å; I238-M393 HydrophobicContact CD1-CE 4.37Å; I238-M393 HydrophobicContact CD1-CG 3.76Å; I238-M393 HydrophobicContact CD1-SD 3.97Å
239	S	76.3	Confident	68	Low	13 Å²	13	66 Å²	66	9%	0.091	41%	0.41	C	S	.	.	H	α-helix	trans	-70.8	-18.6	177.3	-67.4	0	0	0	0	113.9	N237 C244 S245 N261	N237-S239 PolarHBondContact O-N 3.03Å; N237-S239 VanDerWaalsContact O-N 3.14Å; N237-S239 PolarHBondContact OD1-N 3.48Å; S239-C244 PolarHBondContact O-N 2.81Å; S239-S245 PolarHBondContact O-OG 3.39Å; S239-N261 WeakPolarHBondContact CB-OD1 3.36Å; S239-N261 PolarHBondContact OG-OD1 2.98Å
240	A	75.4	Confident	66.4	Low	55 Å²	55	67.4 Å²	67.4	46%	0.455	44%	0.44	S	S	.	.	H	α-helix	trans	-79	-42.5	167.1	0	0	0	0	0	111.2	N237 I238 L242 G243	N237-A240 HydrophobicContact CB-CB 4.21Å; N237-A240 WeakPolarHBondContact O-CB 3.31Å; N237-A240 PolarHBondContact O-N 3.34Å; N237-A240 PolarHBondContact OD1-N 2.9Å; I238-A240 VanDerWaalsContact C-N 3.26Å; I238-A240 PolarHBondContact O-N 3.34Å; A240-L242 PolarHBondContact O-N 3.14Å; A240-G243 PolarHBondContact O-N 3.35Å; A240-G243 VanDerWaalsContact O-N 3.12Å
241	E	73.3	Confident	65.2	Low	92 Å²	92	71.4 Å²	71.4	43%	0.43	45%	0.451	S	S	.	.	H	α-helix	trans	-66.5	-34.8	-180	-67.2	173.3	146.5	0	0	113	N237 I238 G243 Y392	N237-E241 PolarHBondContact O-N 2.86Å; I238-E241 PolarHBondContact O-N 3.16Å; E241-G243 PolarHBondContact O-N 2.82Å; E241-Y392 PolarHBondContact OE1-OH 3.48Å; E241-Y392 WeakPolarHBondContact OE2-CE1 3.34Å
242	L	72.4	Confident	64.1	Low	40 Å²	40	72.5 Å²	72.5	21%	0.209	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-1.9	173	-76.1	167.7	0	0	0	114.3	M184 V185 I238 A240 C244	M184-L242 WeakPolarHBondContact O-CD2 3.44Å; V185-L242 HydrophobicContact CB-CD2 4.45Å; V185-L242 HydrophobicContact CG2-CD1 4.14Å; V185-L242 HydrophobicContact CG2-CD2 4.02Å; V185-L242 HydrophobicContact CG2-CG 4.17Å; I238-L242 HydrophobicContact CG2-CD1 4Å; I238-L242 HydrophobicContact CG2-CG 4.3Å; I238-L242 WeakPolarHBondContact O-CB 3.33Å; I238-L242 WeakPolarHBondContact O-CG 3.46Å; I238-L242 PolarHBondContact O-N 3.41Å; A240-L242 PolarHBondContact O-N 3.14Å; L242-C244 HydrophobicContact CB-CB 4.39Å; L242-C244 PolarHBondContact O-N 3.17Å; L242-C244 VanDerWaalsContact O-N 3.08Å
243	G	61.4	Low	63.6	Low	44 Å²	44	73 Å²	73	45%	0.454	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	14	-175	0	0	0	0	0	114.3	A240 E241 S245	A240-G243 PolarHBondContact O-N 3.35Å; A240-G243 VanDerWaalsContact O-N 3.12Å; E241-G243 PolarHBondContact O-N 2.82Å; G243-S245 PolarHBondContact O-N 3.03Å; G243-S245 VanDerWaalsContact O-N 3.14Å
244	C	53.3	Low	63.8	Low	23 Å²	23	72.9 Å²	72.9	16%	0.155	47%	0.468	C	S	.	.			trans	-77	7	-177.6	-73.4	0	0	0	0	113.7	S239 L242	S239-C244 PolarHBondContact O-N 2.81Å; L242-C244 HydrophobicContact CB-CB 4.39Å; L242-C244 PolarHBondContact O-N 3.17Å; L242-C244 VanDerWaalsContact O-N 3.08Å
245	S	45.8	Very low	64.6	Low	61 Å²	61	78.9 Å²	78.9	43%	0.427	48%	0.482	S	S	.	.	S	Bend	trans	-98.6	95.3	-176.8	-63.3	0	0	0	0	110.8	S239 G243	S239-S245 PolarHBondContact O-OG 3.39Å; G243-S245 PolarHBondContact O-N 3.03Å; G243-S245 VanDerWaalsContact O-N 3.14Å
246	S	44.3	Very low	65.4	Low	93 Å²	93	70.3 Å²	70.3	65%	0.65	44%	0.443	S	S	*	.	S	Bend	trans	42.7	102.5	159.3	55.6	0	0	0	0	117.1
247	S	43.9	Very low	65.7	Low	105 Å²	105	69.7 Å²	69.7	73%	0.734	44%	0.44	S	S	*	.	S	Bend	trans	102.1	134.2	172.8	77.6	0	0	0	0	117.6
248	S	41.2	Very low	66	Low	128 Å²	128	73.1 Å²	73.1	90%	0.895	45%	0.446	S	S	*	.	S	Bend	trans	68.2	26.5	164.1	82.8	0	0	0	0	122.6
249	S	46.3	Very low	66.2	Low	73 Å²	73	77.9 Å²	77.9	51%	0.51	47%	0.47	S	S	.	.			trans	-137.3	129.1	154.8	72.1	0	0	0	0	112.6	I251	S249-I251 PolarHBondContact O-N 2.98Å
250	G	54	Low	66.8	Low	93 Å²	93	77.7 Å²	77.7	96%	0.959	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	32.2	-166.3	0	0	0	0	0	116
251	I	61.6	Low	67.4	Low	123 Å²	123	76.8 Å²	76.8	63%	0.631	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-35.8	-167.6	-47.8	-178.2	0	0	0	112.3	P182 S249	P182-I251 HydrophobicContact CB-CG2 3.81Å; P182-I251 HydrophobicContact CG-CG2 3.46Å; P182-I251 VanDerWaalsContact CG-CG2 3.46Å; S249-I251 PolarHBondContact O-N 2.98Å
252	I	65.9	Low	68.2	Low	36 Å²	36	75.7 Å²	75.7	19%	0.185	46%	0.457	C	S	.	.	S	Bend	trans	-138.3	137.5	179.9	-59.9	170.4	0	0	0	110.8	P182 Y183 V256 S257	P182-I252 HydrophobicContact CB-CD1 3.57Å; P182-I252 HydrophobicContact CB-CG1 4.12Å; P182-I252 HydrophobicContact CG-CD1 3.69Å; P182-I252 HydrophobicContact CG-CG1 3.83Å; Y183-I252 HydrophobicContact CD2-CD1 4.21Å; Y183-I252 HydrophobicContact CE2-CD1 3.44Å; Y183-I252 VanDerWaalsContact CE2-CD1 3.44Å; I252-V256 HydrophobicContact CG2-CB 3.55Å; I252-V256 HydrophobicContact CG2-CG1 3.48Å; I252-V256 VanDerWaalsContact CG2-CG1 3.48Å; I252-S257 VanDerWaalsContact CG2-OG 3.28Å; I252-S257 WeakPolarHBondContact CG2-OG 3.19Å
253	S	75.8	Confident	69.1	Low	78 Å²	78	77.5 Å²	77.5	55%	0.545	47%	0.466	S	S	.	.			trans	-71.2	136.6	169.8	176.2	0	0	0	0	112	R255 V256 S257	S253-R255 PolarHBondContact O-N 3.38Å; S253-V256 WeakPolarHBondContact O-CA 3.22Å; S253-V256 WeakPolarHBondContact O-CB 3.34Å; S253-V256 PolarHBondContact O-N 2.83Å; S253-S257 PolarHBondContact O-N 3.43Å; S253-S257 VanDerWaalsContact O-N 3.15Å
254	D	77.1	Confident	70.5	Confident	89 Å²	89	75.6 Å²	75.6	48%	0.476	45%	0.446	S	S	.	.	H	α-helix	trans	-44.1	-35.8	175.2	-73.6	-5.5	0	0	0	114.8	V256 S257 R258	D254-V256 VanDerWaalsContact C-N 3.32Å; D254-V256 PolarHBondContact O-N 3.45Å; D254-S257 PolarHBondContact O-N 2.92Å; D254-R258 WeakPolarHBondContact O-CG 3.44Å; D254-R258 PolarHBondContact O-N 2.96Å
255	R	82	Confident	72.3	Confident	183 Å²	183	77.5 Å²	77.5	69%	0.691	46%	0.459	S	S	*	.	H	α-helix	trans	-64	-38.3	178.3	-176.1	177.5	-178.4	176.1	1.2	112	S253 I259	S253-R255 PolarHBondContact O-N 3.38Å; R255-I259 WeakPolarHBondContact O-CG1 3.49Å
256	V	83	Confident	74.4	Confident	19 Å²	19	80.5 Å²	80.5	12%	0.115	47%	0.469	C	S	.	.	H	α-helix	trans	-71.2	-46.8	175.7	170.4	0	0	0	0	109.9	I179 I252 S253 D254 R258 I259 M260	I179-V256 HydrophobicContact CD1-CB 4.27Å; I179-V256 HydrophobicContact CD1-CG1 3.37Å; I179-V256 HydrophobicContact CD1-CG2 3.87Å; I179-V256 HydrophobicContact CG1-CG1 3.52Å; I252-V256 HydrophobicContact CG2-CB 3.55Å; I252-V256 HydrophobicContact CG2-CG1 3.48Å; I252-V256 VanDerWaalsContact CG2-CG1 3.48Å; S253-V256 WeakPolarHBondContact O-CA 3.22Å; S253-V256 WeakPolarHBondContact O-CB 3.34Å; S253-V256 PolarHBondContact O-N 2.83Å; D254-V256 VanDerWaalsContact C-N 3.32Å; D254-V256 PolarHBondContact O-N 3.45Å; V256-R258 VanDerWaalsContact C-N 3.25Å; V256-R258 PolarHBondContact O-N 3.45Å; V256-I259 WeakPolarHBondContact O-CA 3.25Å; V256-I259 PolarHBondContact O-N 3.35Å; V256-M260 HydrophobicContact CG1-CG 3.85Å; V256-M260 PolarHBondContact O-N 2.77Å
257	S	84.5	Confident	76.7	Confident	14 Å²	14	77.3 Å²	77.3	10%	0.098	45%	0.446	C	S	.	.	H	α-helix	trans	-58.5	-37.5	179.5	-52.8	0	0	0	0	112.3	I252 S253 D254 I259 N261	I252-S257 VanDerWaalsContact CG2-OG 3.28Å; I252-S257 WeakPolarHBondContact CG2-OG 3.19Å; S253-S257 PolarHBondContact O-N 3.43Å; S253-S257 VanDerWaalsContact O-N 3.15Å; D254-S257 PolarHBondContact O-N 2.92Å; S257-I259 VanDerWaalsContact C-N 3.27Å; S257-I259 PolarHBondContact O-N 2.95Å; S257-N261 VanDerWaalsContact O-CB 3.24Å; S257-N261 WeakPolarHBondContact O-CB 3.48Å; S257-N261 PolarHBondContact O-N 3.37Å; S257-N261 PolarHBondContact O-ND2 3.48Å
258	R	85.4	Confident	79	Confident	171 Å²	171	72.8 Å²	72.8	65%	0.645	41%	0.414	S	S	*	.	H	α-helix	trans	-64.4	-23.8	173.3	-76	-170.7	-66.9	-97.9	3.8	114.7	D254 V256 P262	D254-R258 WeakPolarHBondContact O-CG 3.44Å; D254-R258 PolarHBondContact O-N 2.96Å; V256-R258 VanDerWaalsContact C-N 3.25Å; V256-R258 PolarHBondContact O-N 3.45Å; R258-P262 WeakPolarHBondContact O-CD 3.44Å
259	I	87.2	Confident	81.4	Confident	102 Å²	102	71.3 Å²	71.3	52%	0.523	39%	0.393	S	S	.	.	H	α-helix	trans	-91.2	-44.7	177.5	-64.6	167.1	0	0	0	110.5	R255 V256 S257 L263	R255-I259 WeakPolarHBondContact O-CG1 3.49Å; V256-I259 WeakPolarHBondContact O-CA 3.25Å; V256-I259 PolarHBondContact O-N 3.35Å; S257-I259 VanDerWaalsContact C-N 3.27Å; S257-I259 PolarHBondContact O-N 2.95Å; I259-L263 HydrophobicContact CG2-CD1 4.36Å; I259-L263 WeakPolarHBondContact O-CG 3.38Å
260	M	88.7	Confident	83.6	Confident	10 Å²	10	70.9 Å²	70.9	5%	0.049	39%	0.385	C	S	.	.	H	α-helix	trans	-82.4	-35.7	-170.9	-66.8	-54.8	-55.8	0	0	113.7	F174 H180 Y183 V256 L263 F264	F174-M260 HydrophobicContact CZ-CE 4.36Å; F174-M260 HydrophobicContact CZ-SD 4.42Å; H180-M260 WeakPolarHBondContact ND1-CE 3.31Å; Y183-M260 HydrophobicContact CE1-CB 4.03Å; Y183-M260 HydrophobicContact CE2-CB 3.86Å; Y183-M260 HydrophobicContact CE2-CG 4.3Å; Y183-M260 VanDerWaalsContact CZ-CB 3.47Å; Y183-M260 WeakPolarHBondContact OH-CB 3.35Å; V256-M260 HydrophobicContact CG1-CG 3.85Å; V256-M260 PolarHBondContact O-N 2.77Å; M260-L263 HydrophobicContact CE-CD1 4.48Å; M260-L263 PolarHBondContact O-N 3.39Å; M260-L263 VanDerWaalsContact O-N 3.12Å; M260-L263 HydrophobicContact SD-CD1 4.08Å; M260-F264 HydrophobicContact CB-CD2 4.47Å; M260-F264 HydrophobicContact CE-CD2 4.1Å; M260-F264 HydrophobicContact CE-CE2 3.49Å; M260-F264 VanDerWaalsContact CE-CE2 3.49Å; M260-F264 HydrophobicContact CE-CZ 4.28Å; M260-F264 WeakPolarHBondContact O-CD2 3.33Å; M260-F264 PolarHBondContact O-N 3.25Å
261	N	88.9	Confident	85.4	Confident	35 Å²	35	69.2 Å²	69.2	19%	0.187	35%	0.35	C	S	.	.	H	α-helix	trans	-57.2	-46.5	178.6	-82.4	-42.6	0	0	0	112.8	S239 S257 L263 F264 S265	S239-N261 WeakPolarHBondContact CB-OD1 3.36Å; S239-N261 PolarHBondContact OG-OD1 2.98Å; S257-N261 VanDerWaalsContact O-CB 3.24Å; S257-N261 WeakPolarHBondContact O-CB 3.48Å; S257-N261 PolarHBondContact O-N 3.37Å; S257-N261 PolarHBondContact O-ND2 3.48Å; N261-L263 VanDerWaalsContact C-N 3.32Å; N261-L263 PolarHBondContact O-N 3.13Å; N261-F264 PolarHBondContact O-N 3.42Å; N261-S265 WeakPolarHBondContact O-CB 3.39Å; N261-S265 PolarHBondContact O-N 2.89Å
262	P	89.6	Confident	86.7	Confident	70 Å²	70	66.8 Å²	66.8	46%	0.455	34%	0.337	S	S	.	.	H	α-helix	trans	-61.3	-36.9	174.5	-25.2	35.3	0	0	0	113.7	R258 S265 L266	R258-P262 WeakPolarHBondContact O-CD 3.44Å; P262-S265 PolarHBondContact O-N 3.17Å; P262-L266 WeakPolarHBondContact O-CG 3.1Å; P262-L266 PolarHBondContact O-N 3.23Å
263	L	90.2	Very high	88.1	Confident	77 Å²	77	66.5 Å²	66.5	40%	0.403	34%	0.336	S	S	.	.	H	α-helix	trans	-67.2	-44.7	179.6	-65.5	174.3	0	0	0	111.7	I259 M260 N261 L266 T267	I259-L263 HydrophobicContact CG2-CD1 4.36Å; I259-L263 WeakPolarHBondContact O-CG 3.38Å; M260-L263 HydrophobicContact CE-CD1 4.48Å; M260-L263 PolarHBondContact O-N 3.39Å; M260-L263 VanDerWaalsContact O-N 3.12Å; M260-L263 HydrophobicContact SD-CD1 4.08Å; N261-L263 VanDerWaalsContact C-N 3.32Å; N261-L263 PolarHBondContact O-N 3.13Å; L263-L266 PolarHBondContact O-N 3.01Å; L263-T267 PolarHBondContact O-N 3.04Å
264	F	92.3	Very high	88.9	Confident	5 Å²	5	62.9 Å²	62.9	2%	0.022	31%	0.31	C	S	.	.	H	α-helix	trans	-67.6	-38	173.9	-79.6	-70.6	0	0	0	112.1	H180 Y183 M260 N261 L266 T267 D268 A385 I386	H180-F264 HydrophobicContact CB-CZ 4.49Å; H180-F264 AromaticContact ND1-CZ 3.85Å; Y183-F264 VanDerWaalsContact CB-CE2 3.46Å; Y183-F264 AromaticContact CD1-CD2 3.31Å; Y183-F264 HydrophobicContact CD1-CD2 3.31Å; Y183-F264 AromaticContact CD1-CE2 3.61Å; Y183-F264 HydrophobicContact CD1-CE2 3.61Å; Y183-F264 HydrophobicContact CD1-CG 4.09Å; Y183-F264 HydrophobicContact CD2-CD2 4.14Å; Y183-F264 AromaticContact CD2-CE2 3.55Å; Y183-F264 HydrophobicContact CD2-CE2 3.55Å; Y183-F264 HydrophobicContact CD2-CZ 4.32Å; Y183-F264 AromaticContact CE1-CD2 3.89Å; Y183-F264 HydrophobicContact CE1-CD2 3.89Å; Y183-F264 HydrophobicContact CE1-CE2 4.27Å; Y183-F264 HydrophobicContact CE2-CE2 4.23Å; Y183-F264 AromaticContact CG-CD2 3.49Å; Y183-F264 HydrophobicContact CG-CD2 3.49Å; Y183-F264 VanDerWaalsContact CG-CD2 3.49Å; Y183-F264 AromaticContact CG-CE2 3.22Å; Y183-F264 HydrophobicContact CG-CE2 3.22Å; Y183-F264 HydrophobicContact CG-CG 4.36Å; Y183-F264 AromaticContact CG-CZ 3.92Å; Y183-F264 HydrophobicContact CG-CZ 3.92Å; M260-F264 HydrophobicContact CB-CD2 4.47Å; M260-F264 HydrophobicContact CE-CD2 4.1Å; M260-F264 HydrophobicContact CE-CE2 3.49Å; M260-F264 VanDerWaalsContact CE-CE2 3.49Å; M260-F264 HydrophobicContact CE-CZ 4.28Å; M260-F264 WeakPolarHBondContact O-CD2 3.33Å; M260-F264 PolarHBondContact O-N 3.25Å; N261-F264 PolarHBondContact O-N 3.42Å; F264-L266 PolarHBondContact O-N 3.01Å; F264-T267 WeakPolarHBondContact CA-OG1 3.26Å; F264-T267 PolarHBondContact O-N 2.99Å; F264-T267 PolarHBondContact O-OG1 3.37Å; F264-D268 PolarHBondContact O-N 3.14Å; F264-D268 VanDerWaalsContact O-OD2 3.13Å; F264-A385 HydrophobicContact CE1-CB 3.75Å; F264-A385 HydrophobicContact CZ-CB 3.89Å; F264-I386 HydrophobicContact CD1-CG1 4.33Å; F264-I386 HydrophobicContact CE1-CG1 3.97Å
265	S	90.3	Very high	89.7	Confident	62 Å²	62	58.8 Å²	58.8	43%	0.434	29%	0.289	S	S	.	.	H	α-helix	trans	-60.2	-34.5	174.1	-177.3	0	0	0	0	112.5	N261 P262 Q269	N261-S265 WeakPolarHBondContact O-CB 3.39Å; N261-S265 PolarHBondContact O-N 2.89Å; P262-S265 PolarHBondContact O-N 3.17Å; S265-Q269 WeakPolarHBondContact O-CG 3.42Å; S265-Q269 PolarHBondContact O-N 3.17Å
266	L	90.2	Very high	90.3	Very high	124 Å²	124	55.4 Å²	55.4	65%	0.649	28%	0.281	S	S	*	.	H	α-helix	trans	-68.2	-36.5	172.4	-72.3	168.6	0	0	0	112.9	P262 L263 F264	P262-L266 WeakPolarHBondContact O-CG 3.1Å; P262-L266 PolarHBondContact O-N 3.23Å; L263-L266 PolarHBondContact O-N 3.01Å; F264-L266 PolarHBondContact O-N 3.01Å
267	T	92.6	Very high	91	Very high	26 Å²	26	55.3 Å²	55.3	16%	0.16	28%	0.281	C	S	.	.	H	α-helix	trans	-70.1	-41.9	173.9	56	0	0	0	0	111.4	L263 F264 Q269 N270 I273 I386 H390	L263-T267 PolarHBondContact O-N 3.04Å; F264-T267 WeakPolarHBondContact CA-OG1 3.26Å; F264-T267 PolarHBondContact O-N 2.99Å; F264-T267 PolarHBondContact O-OG1 3.37Å; T267-Q269 PolarHBondContact O-N 3.04Å; T267-N270 VanDerWaalsContact O-CB 3.28Å; T267-N270 WeakPolarHBondContact O-CB 3.34Å; T267-N270 PolarHBondContact O-N 3.18Å; T267-I273 HydrophobicContact CG2-CD1 4.16Å; T267-I386 HydrophobicContact CG2-CD1 3.99Å; T267-I386 HydrophobicContact CG2-CG1 4.22Å; T267-H390 PolarHBondContact O-CE1 3.06Å; T267-H390 VanDerWaalsContact O-CE1 3.3Å; T267-H390 PolarHBondContact O-NE2 3.34Å; T267-H390 VanDerWaalsContact O-NE2 3.13Å
268	D	92.8	Very high	91.5	Very high	10 Å²	10	54.7 Å²	54.7	5%	0.053	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-29.2	-178.7	-59.2	-26.9	0	0	0	112.4	F231 F264 R389 M393	F231-D268 WeakPolarHBondContact CE1-O 3.26Å; F231-D268 WeakPolarHBondContact CZ-O 3.32Å; F264-D268 PolarHBondContact O-N 3.14Å; F264-D268 VanDerWaalsContact O-OD2 3.13Å; D268-R389 IonicContact OD1-CZ 2.99Å; D268-R389 IonicContact OD1-NE 3.67Å; D268-R389 PolarHBondContact OD1-NE 3.28Å; D268-R389 IonicContact OD1-NH2 2.76Å; D268-R389 IonicContact OD2-CZ 3.37Å; D268-R389 IonicContact OD2-NE 3.45Å; D268-R389 PolarHBondContact OD2-NE 2.92Å; D268-R389 IonicContact OD2-NH2 2.73Å; D268-R389 PolarHBondContact OD2-NH2 3.27Å; D268-M393 HydrophobicContact CB-CE 4.03Å; D268-M393 HydrophobicContact CB-SD 4.29Å
269	Q	91.7	Very high	92	Very high	98 Å²	98	48 Å²	48	46%	0.458	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-0.8	176.9	-61.3	-61	-47.2	0	0	113.3	P232 S265 T267 R271	P232-Q269 VanDerWaalsContact CB-OE1 3.24Å; P232-Q269 VanDerWaalsContact CG-OE1 3.23Å; S265-Q269 WeakPolarHBondContact O-CG 3.42Å; S265-Q269 PolarHBondContact O-N 3.17Å; T267-Q269 PolarHBondContact O-N 3.04Å; Q269-R271 PolarHBondContact O-N 2.91Å
270	N	91.3	Very high	92.4	Very high	64 Å²	64	46.1 Å²	46.1	34%	0.342	25%	0.252	S	S	.	.			trans	-84.8	101	-175.2	-169.1	-16	0	0	0	112.1	T267 L272 I273 C274	T267-N270 VanDerWaalsContact O-CB 3.28Å; T267-N270 WeakPolarHBondContact O-CB 3.34Å; T267-N270 PolarHBondContact O-N 3.18Å; N270-L272 PolarHBondContact O-N 3.22Å; N270-L272 WeakPolarHBondContact OD1-CB 3.38Å; N270-L272 PolarHBondContact OD1-N 3.4Å; N270-I273 HydrophobicContact CB-CB 4.4Å; N270-I273 HydrophobicContact CB-CD1 3.92Å; N270-I273 HydrophobicContact CB-CG1 4.04Å; N270-I273 PolarHBondContact O-N 2.84Å; N270-I273 VanDerWaalsContact O-N 3.17Å; N270-C274 PolarHBondContact O-N 2.76Å; N270-C274 VanDerWaalsContact O-N 3.11Å
271	R	91.3	Very high	92.8	Very high	58 Å²	58	45.9 Å²	45.9	22%	0.219	25%	0.251	C	S	.	.	H	α-helix	trans	-58.7	-26.3	176.7	-173.2	172.7	176.6	-163.9	-7.9	114.1	V228 D229 F231 Q269 C274 A275 Y339	V228-R271 VanDerWaalsContact O-CZ 3.28Å; V228-R271 PolarHBondContact O-NE 3.44Å; V228-R271 PolarHBondContact O-NH2 3.27Å; D229-R271 IonicContact OD1-NH2 2.67Å; D229-R271 PolarHBondContact OD1-NH2 3.23Å; F231-R271 HydrophobicContact CB-CG 4.39Å; F231-R271 HydrophobicContact CD1-CB 4.05Å; F231-R271 HydrophobicContact CD1-CG 4.37Å; Q269-R271 PolarHBondContact O-N 2.91Å; R271-C274 PolarHBondContact O-N 3.11Å; R271-A275 WeakPolarHBondContact O-CB 3.38Å; R271-A275 PolarHBondContact O-N 3.39Å; R271-Y339 HydrophobicContact CB-CE1 4.48Å; R271-Y339 HydrophobicContact CG-CD1 4.14Å; R271-Y339 HydrophobicContact CG-CE1 4.07Å
272	L	90.8	Very high	93.1	Very high	71 Å²	71	45.5 Å²	45.5	37%	0.372	25%	0.246	S	C	.	.	H	α-helix	trans	-66.8	-48	175.2	-177	64.6	0	0	0	110.8	N270 C274 A275 E276	N270-L272 PolarHBondContact O-N 3.22Å; N270-L272 WeakPolarHBondContact OD1-CB 3.38Å; N270-L272 PolarHBondContact OD1-N 3.4Å; L272-C274 VanDerWaalsContact C-N 3.28Å; L272-C274 PolarHBondContact O-N 3.31Å; L272-A275 PolarHBondContact O-N 3.47Å; L272-A275 VanDerWaalsContact O-N 3.1Å; L272-E276 WeakPolarHBondContact O-CG 3.47Å; L272-E276 PolarHBondContact O-N 2.94Å
273	I	93.5	Very high	93.4	Very high	31 Å²	31	46.6 Å²	46.6	16%	0.159	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-39.6	176.7	-55.9	176.5	0	0	0	110	T267 N270 A275 E276 V277 I386 H390	T267-I273 HydrophobicContact CG2-CD1 4.16Å; N270-I273 HydrophobicContact CB-CB 4.4Å; N270-I273 HydrophobicContact CB-CD1 3.92Å; N270-I273 HydrophobicContact CB-CG1 4.04Å; N270-I273 PolarHBondContact O-N 2.84Å; N270-I273 VanDerWaalsContact O-N 3.17Å; I273-A275 PolarHBondContact O-N 3.09Å; I273-E276 PolarHBondContact O-N 3.38Å; I273-V277 HydrophobicContact CG2-CG2 4.37Å; I273-V277 WeakPolarHBondContact O-CB 3.45Å; I273-V277 VanDerWaalsContact O-CG2 3.31Å; I273-V277 WeakPolarHBondContact O-CG2 3.13Å; I273-V277 PolarHBondContact O-N 3Å; I273-I386 HydrophobicContact CD1-CG2 4.43Å; I273-I386 HydrophobicContact CG2-CG2 3.84Å; I273-H390 VanDerWaalsContact CG2-NE2 3.33Å; I273-H390 WeakPolarHBondContact CG2-NE2 3.43Å
274	C	94.6	Very high	93.6	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-58.7	-44.8	173.1	-174.7	0	0	0	0	112.7	Y227 F231 N270 R271 L272 C278	Y227-C274 WeakPolarHBondContact CE1-SG 3.33Å; F231-C274 HydrophobicContact CD1-CB 3.68Å; F231-C274 HydrophobicContact CD2-CB 4.08Å; F231-C274 WeakPolarHBondContact CD2-SG 3.37Å; F231-C274 HydrophobicContact CE1-CB 3.71Å; F231-C274 HydrophobicContact CE2-CB 4.13Å; F231-C274 HydrophobicContact CG-CB 3.84Å; F231-C274 VanDerWaalsContact CG-SG 3.52Å; F231-C274 HydrophobicContact CZ-CB 3.93Å; N270-C274 PolarHBondContact O-N 2.76Å; N270-C274 VanDerWaalsContact O-N 3.11Å; R271-C274 PolarHBondContact O-N 3.11Å; L272-C274 VanDerWaalsContact C-N 3.28Å; L272-C274 PolarHBondContact O-N 3.31Å; C274-C278 WeakPolarHBondContact O-CB 3.44Å; C274-C278 PolarHBondContact O-N 2.91Å; C274-C278 PolarHBondContact O-SG 3.34Å
275	A	93.9	Very high	93.7	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.033	24%	0.238	C	C	.	.	H	α-helix	trans	-67	-40.7	178.5	0	0	0	0	0	112.1	V228 R271 L272 I273 C278 S279 Y339 L341	V228-A275 HydrophobicContact CG1-CB 3.88Å; R271-A275 WeakPolarHBondContact O-CB 3.38Å; R271-A275 PolarHBondContact O-N 3.39Å; L272-A275 PolarHBondContact O-N 3.47Å; L272-A275 VanDerWaalsContact O-N 3.1Å; I273-A275 PolarHBondContact O-N 3.09Å; A275-C278 PolarHBondContact O-N 3.46Å; A275-S279 VanDerWaalsContact O-CB 3.25Å; A275-S279 WeakPolarHBondContact O-CB 3.24Å; A275-S279 PolarHBondContact O-N 3.18Å; A275-Y339 HydrophobicContact CB-CD1 4Å; A275-L341 WeakPolarHBondContact O-CD2 3.5Å
276	E	94.4	Very high	93.9	Very high	111 Å²	111	43.2 Å²	43.2	52%	0.519	23%	0.225	S	C	.	.	H	α-helix	trans	-60.9	-48.3	174	-72.1	177.8	159.9	0	0	111.4	L272 I273 C278 S279 S280	L272-E276 WeakPolarHBondContact O-CG 3.47Å; L272-E276 PolarHBondContact O-N 2.94Å; I273-E276 PolarHBondContact O-N 3.38Å; E276-C278 PolarHBondContact O-N 3.41Å; E276-S279 PolarHBondContact O-N 2.87Å; E276-S280 PolarHBondContact O-N 3.02Å; E276-S280 PolarHBondContact O-OG 2.96Å
277	V	96.1	Very high	94	Very high	18 Å²	18	44.8 Å²	44.8	11%	0.109	23%	0.227	C	C	.	.	H	α-helix	trans	-60.3	-43.5	176.4	170.9	0	0	0	0	111.4	I273 S280 L281 H390 L391	I273-V277 HydrophobicContact CG2-CG2 4.37Å; I273-V277 WeakPolarHBondContact O-CB 3.45Å; I273-V277 VanDerWaalsContact O-CG2 3.31Å; I273-V277 WeakPolarHBondContact O-CG2 3.13Å; I273-V277 PolarHBondContact O-N 3Å; V277-S280 PolarHBondContact O-N 3.27Å; V277-L281 WeakPolarHBondContact O-CG 3.44Å; V277-L281 PolarHBondContact O-N 3.1Å; V277-H390 HydrophobicContact CB-CB 4.43Å; V277-H390 HydrophobicContact CG1-CB 4.26Å; V277-H390 HydrophobicContact CG2-CB 4.1Å; V277-L391 HydrophobicContact CG1-CD2 3.83Å; V277-L391 HydrophobicContact CG1-CG 4.28Å
278	C	96.5	Very high	94	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.007	22%	0.22	C	C	.	.	H	α-helix	trans	-70.5	-33.2	178.5	-65.4	0	0	0	0	113	L224 Y227 V228 C274 A275 E276 L281 R282 L341	L224-C278 HydrophobicContact CB-CB 4.49Å; L224-C278 HydrophobicContact CD2-CB 4.31Å; Y227-C278 VanDerWaalsContact CD1-SG 3.59Å; V228-C278 HydrophobicContact CG2-CB 3.54Å; C274-C278 WeakPolarHBondContact O-CB 3.44Å; C274-C278 PolarHBondContact O-N 2.91Å; C274-C278 PolarHBondContact O-SG 3.34Å; A275-C278 PolarHBondContact O-N 3.46Å; E276-C278 PolarHBondContact O-N 3.41Å; C278-L281 PolarHBondContact O-N 3.01Å; C278-R282 PolarHBondContact O-N 3.2Å; C278-L341 HydrophobicContact CB-CD1 3.86Å; C278-L341 HydrophobicContact CB-CD2 3.96Å
279	S	94.9	Very high	93.9	Very high	30 Å²	30	43.2 Å²	43.2	21%	0.21	22%	0.218	C	C	.	.	H	α-helix	trans	-65.8	-41.3	172.8	-175	0	0	0	0	111.2	A275 E276 R282 I283	A275-S279 VanDerWaalsContact O-CB 3.25Å; A275-S279 WeakPolarHBondContact O-CB 3.24Å; A275-S279 PolarHBondContact O-N 3.18Å; E276-S279 PolarHBondContact O-N 2.87Å; S279-R282 PolarHBondContact O-N 2.92Å; S279-R282 PolarHBondContact OG-NH2 2.93Å; S279-I283 WeakPolarHBondContact O-CG1 3.42Å; S279-I283 PolarHBondContact O-N 3.26Å
280	S	95.4	Very high	93.6	Very high	63 Å²	63	42.7 Å²	42.7	44%	0.441	22%	0.218	S	C	.	.	H	α-helix	trans	-63.6	-42.7	171.6	-63.8	0	0	0	0	112.3	E276 V277 R282 I283 L284	E276-S280 PolarHBondContact O-N 3.02Å; E276-S280 PolarHBondContact O-OG 2.96Å; V277-S280 PolarHBondContact O-N 3.27Å; S280-R282 VanDerWaalsContact C-N 3.33Å; S280-R282 PolarHBondContact O-N 2.77Å; S280-I283 PolarHBondContact O-N 2.68Å; S280-L284 WeakPolarHBondContact O-CB 3.36Å; S280-L284 WeakPolarHBondContact O-CG 3.37Å; S280-L284 PolarHBondContact O-N 3.25Å
281	L	97	Very high	93.3	Very high	5 Å²	5	43 Å²	43	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-59.9	-41.9	174.7	-76.6	177.8	0	0	0	112.1	L224 V277 C278 L284 F285 L366 L370 L391 F394	L224-L281 HydrophobicContact CD1-CB 4.4Å; L224-L281 HydrophobicContact CD2-CB 4.15Å; L224-L281 HydrophobicContact CD2-CD1 3.95Å; V277-L281 WeakPolarHBondContact O-CG 3.44Å; V277-L281 PolarHBondContact O-N 3.1Å; C278-L281 PolarHBondContact O-N 3.01Å; L281-L284 PolarHBondContact O-N 3.33Å; L281-F285 WeakPolarHBondContact O-CB 3.46Å; L281-F285 PolarHBondContact O-N 2.8Å; L281-L366 HydrophobicContact CD2-CD2 4.39Å; L281-L370 HydrophobicContact CD2-CD1 3.66Å; L281-L370 HydrophobicContact CD2-CD2 3.91Å; L281-L370 HydrophobicContact CD2-CG 4.41Å; L281-L391 HydrophobicContact CD1-CD2 3.77Å; L281-L391 HydrophobicContact CD2-CD2 3.86Å; L281-L391 HydrophobicContact CG-CD2 4.07Å; L281-F394 HydrophobicContact CD1-CD1 3.92Å; L281-F394 HydrophobicContact CD1-CE1 4.05Å
282	R	95.7	Very high	93.1	Very high	26 Å²	26	46.2 Å²	46.2	10%	0.098	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-50	173.6	176.2	-141	50.9	-175.2	-21.1	111.3	L221 L224 C278 S279 S280 L284 F285 D286 L341 L342 C355	L221-R282 HydrophobicContact CD1-CG 4.35Å; L224-R282 HydrophobicContact CD1-CB 3.97Å; C278-R282 PolarHBondContact O-N 3.2Å; S279-R282 PolarHBondContact O-N 2.92Å; S279-R282 PolarHBondContact OG-NH2 2.93Å; S280-R282 VanDerWaalsContact C-N 3.33Å; S280-R282 PolarHBondContact O-N 2.77Å; R282-L284 VanDerWaalsContact C-N 3.35Å; R282-L284 PolarHBondContact O-N 3.41Å; R282-F285 WeakPolarHBondContact O-CB 3.41Å; R282-F285 PolarHBondContact O-N 3.26Å; R282-F285 VanDerWaalsContact O-N 3.15Å; R282-D286 PolarHBondContact O-N 2.95Å; R282-L341 PolarHBondContact NH1-O 3.41Å; R282-L341 PolarHBondContact NH2-O 3.15Å; R282-L342 VanDerWaalsContact NH1-CD1 3.3Å; R282-C355 HydrophobicContact CG-CB 3.59Å; R282-C355 VanDerWaalsContact CG-SG 3.51Å
283	I	95.2	Very high	93.1	Very high	94 Å²	94	43.2 Å²	43.2	48%	0.482	22%	0.222	S	C	.	.	H	α-helix	trans	-61.1	-44.1	179.6	-65.6	163	0	0	0	111	S279 S280 F285 D286 F287	S279-I283 WeakPolarHBondContact O-CG1 3.42Å; S279-I283 PolarHBondContact O-N 3.26Å; S280-I283 PolarHBondContact O-N 2.68Å; I283-F285 VanDerWaalsContact C-N 3.32Å; I283-F285 PolarHBondContact O-N 2.79Å; I283-D286 PolarHBondContact O-N 2.65Å; I283-F287 WeakPolarHBondContact O-CB 3.42Å; I283-F287 PolarHBondContact O-N 3.07Å
284	L	94.9	Very high	92.9	Very high	41 Å²	41	42.4 Å²	42.4	22%	0.215	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-40.8	175.5	-74.3	170.7	0	0	0	111.4	S280 L281 R282 F287 T288 L366 L370 M377	S280-L284 WeakPolarHBondContact O-CB 3.36Å; S280-L284 WeakPolarHBondContact O-CG 3.37Å; S280-L284 PolarHBondContact O-N 3.25Å; L281-L284 PolarHBondContact O-N 3.33Å; R282-L284 VanDerWaalsContact C-N 3.35Å; R282-L284 PolarHBondContact O-N 3.41Å; L284-F287 PolarHBondContact O-N 3.26Å; L284-T288 VanDerWaalsContact O-CB 3.27Å; L284-T288 WeakPolarHBondContact O-CB 3.29Å; L284-T288 VanDerWaalsContact O-CG2 3.24Å; L284-T288 WeakPolarHBondContact O-CG2 3.36Å; L284-T288 PolarHBondContact O-N 3.47Å; L284-T288 PolarHBondContact O-OG1 3.23Å; L284-L366 HydrophobicContact CB-CD1 4.48Å; L284-L366 HydrophobicContact CB-CD2 4.33Å; L284-L370 HydrophobicContact CD1-CD2 4.24Å; L284-M377 HydrophobicContact CD2-CE 4.33Å
285	F	95.7	Very high	92.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-50.9	175.8	-174.2	-92.8	0	0	0	111.7	V220 L281 R282 I283 F287 T288 V289 L293 P354 C355 Y358 L366	V220-F285 HydrophobicContact CB-CD1 4.36Å; V220-F285 HydrophobicContact CB-CE1 4.34Å; V220-F285 HydrophobicContact CG1-CB 4.48Å; V220-F285 HydrophobicContact CG1-CD1 4.12Å; V220-F285 HydrophobicContact CG1-CD2 4.33Å; V220-F285 HydrophobicContact CG1-CG 4.02Å; V220-F285 HydrophobicContact CG2-CD1 4.31Å; V220-F285 HydrophobicContact CG2-CD2 4.34Å; V220-F285 HydrophobicContact CG2-CE1 3.92Å; V220-F285 HydrophobicContact CG2-CE2 3.96Å; V220-F285 HydrophobicContact CG2-CZ 3.75Å; L281-F285 WeakPolarHBondContact O-CB 3.46Å; L281-F285 PolarHBondContact O-N 2.8Å; R282-F285 WeakPolarHBondContact O-CB 3.41Å; R282-F285 PolarHBondContact O-N 3.26Å; R282-F285 VanDerWaalsContact O-N 3.15Å; I283-F285 VanDerWaalsContact C-N 3.32Å; I283-F285 PolarHBondContact O-N 2.79Å; F285-F287 VanDerWaalsContact C-N 3.25Å; F285-F287 PolarHBondContact O-N 3.18Å; F285-T288 PolarHBondContact O-N 3.38Å; F285-V289 HydrophobicContact CE1-CB 4.34Å; F285-V289 HydrophobicContact CE1-CG1 4.47Å; F285-V289 HydrophobicContact CE2-CB 4.49Å; F285-V289 HydrophobicContact CZ-CB 4.15Å; F285-V289 HydrophobicContact CZ-CG2 4.04Å; F285-V289 PolarHBondContact O-N 3.45Å; F285-V289 VanDerWaalsContact O-N 3.1Å; F285-L293 HydrophobicContact CD2-CD1 4Å; F285-L293 HydrophobicContact CE2-CD1 3.93Å; F285-P354 HydrophobicContact CD1-CB 4Å; F285-P354 HydrophobicContact CE1-CB 3.71Å; F285-C355 HydrophobicContact CD1-CB 4.29Å; F285-Y358 HydrophobicContact CE1-CD2 4.38Å; F285-Y358 HydrophobicContact CE1-CG 4.14Å; F285-Y358 HydrophobicContact CZ-CD1 4.49Å; F285-Y358 HydrophobicContact CZ-CG 4.03Å; F285-L366 HydrophobicContact CB-CD2 3.89Å; F285-L366 HydrophobicContact CD2-CB 4.45Å; F285-L366 HydrophobicContact CD2-CD2 4.24Å
286	D	93.6	Very high	92	Very high	32 Å²	32	48 Å²	48	17%	0.171	25%	0.253	C	S	.	.	H	α-helix	trans	-56.5	-38.8	178.6	-71	-33.7	0	0	0	112.2	R282 I283 P354 C355	R282-D286 PolarHBondContact O-N 2.95Å; I283-D286 PolarHBondContact O-N 2.65Å; D286-P354 VanDerWaalsContact OD1-CD 3.29Å; D286-P354 WeakPolarHBondContact OD1-CD 3.03Å; D286-C355 VanDerWaalsContact OD1-CB 3.26Å; D286-C355 WeakPolarHBondContact OD1-CB 3.18Å; D286-C355 PolarHBondContact OD1-N 3.16Å; D286-C355 PolarHBondContact OD1-SG 3.26Å; D286-C355 PolarHBondContact OD2-SG 3.31Å
287	F	92.4	Very high	91.2	Very high	156 Å²	156	45.1 Å²	45.1	68%	0.684	24%	0.241	S	C	*	.	H	α-helix	trans	-79.7	-35.8	179.2	-173.1	-100.9	0	0	0	114	I283 L284 F285	I283-F287 WeakPolarHBondContact O-CB 3.42Å; I283-F287 PolarHBondContact O-N 3.07Å; L284-F287 PolarHBondContact O-N 3.26Å; F285-F287 VanDerWaalsContact C-N 3.25Å; F285-F287 PolarHBondContact O-N 3.18Å
288	T	91.7	Very high	90.5	Very high	4 Å²	4	44.5 Å²	44.5	3%	0.025	24%	0.237	C	C	.	.	H	α-helix	trans	-92.8	-22.8	-169.3	56.9	0	0	0	0	114.8	L284 F285 N290 S291 Y292 L293	L284-T288 VanDerWaalsContact O-CB 3.27Å; L284-T288 WeakPolarHBondContact O-CB 3.29Å; L284-T288 VanDerWaalsContact O-CG2 3.24Å; L284-T288 WeakPolarHBondContact O-CG2 3.36Å; L284-T288 PolarHBondContact O-N 3.47Å; L284-T288 PolarHBondContact O-OG1 3.23Å; F285-T288 PolarHBondContact O-N 3.38Å; T288-N290 PolarHBondContact O-N 3.48Å; T288-S291 PolarHBondContact O-N 3.36Å; T288-Y292 HydrophobicContact CG2-CD2 4.25Å; T288-Y292 PolarHBondContact O-N 3.31Å; T288-L293 PolarHBondContact O-N 3.07Å
289	V	90.4	Very high	89.6	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.253	C	S	.	.	I	π-helix	trans	-56.9	-55.2	-166.5	58.7	0	0	0	0	113.6	F285 S291 L293 L294 P354 Y358	F285-V289 HydrophobicContact CE1-CB 4.34Å; F285-V289 HydrophobicContact CE1-CG1 4.47Å; F285-V289 HydrophobicContact CE2-CB 4.49Å; F285-V289 HydrophobicContact CZ-CB 4.15Å; F285-V289 HydrophobicContact CZ-CG2 4.04Å; F285-V289 PolarHBondContact O-N 3.45Å; F285-V289 VanDerWaalsContact O-N 3.1Å; V289-S291 VanDerWaalsContact C-N 3.34Å; V289-S291 PolarHBondContact O-N 3.05Å; V289-L293 HydrophobicContact CB-CD1 4.29Å; V289-L293 HydrophobicContact CG2-CB 4.4Å; V289-L293 PolarHBondContact O-N 3.31Å; V289-L294 HydrophobicContact CG2-CD2 4.37Å; V289-L294 HydrophobicContact CG2-CG 4.36Å; V289-L294 PolarHBondContact O-N 3.36Å; V289-L294 VanDerWaalsContact O-N 3.11Å; V289-P354 HydrophobicContact CG1-CB 3.44Å; V289-P354 VanDerWaalsContact CG1-CB 3.44Å; V289-P354 HydrophobicContact CG1-CG 3.55Å; V289-Y358 HydrophobicContact CG1-CE2 4.35Å; V289-Y358 HydrophobicContact CG2-CD1 3.93Å; V289-Y358 HydrophobicContact CG2-CE1 3.65Å; V289-Y358 HydrophobicContact CG2-CE2 4.31Å; V289-Y358 HydrophobicContact CG2-CG 4.36Å
290	N	86.2	Confident	88.3	Confident	87 Å²	87	52.5 Å²	52.5	47%	0.465	27%	0.273	S	S	.	.	I	π-helix	trans	-69.1	-34.6	-172.3	-63.5	-26.9	0	0	0	112	T288 K299 Y358	T288-N290 PolarHBondContact O-N 3.48Å; N290-K299 WeakPolarHBondContact O-CE 3.38Å; N290-K299 PolarHBondContact O-NZ 2.91Å; N290-Y358 PolarHBondContact OD1-OH 3.38Å
291	S	85.8	Confident	86.7	Confident	69 Å²	69	55 Å²	55	48%	0.483	27%	0.273	S	S	.	.	I	π-helix	trans	-80.4	-47.1	-177.1	-57.8	0	0	0	0	111.9	T288 V289 K299	T288-S291 PolarHBondContact O-N 3.36Å; V289-S291 VanDerWaalsContact C-N 3.34Å; V289-S291 PolarHBondContact O-N 3.05Å; S291-K299 PolarHBondContact O-NZ 2.94Å
292	Y	87.5	Confident	85.2	Confident	126 Å²	126	56.2 Å²	56.2	49%	0.494	28%	0.278	S	S	.	.	I	π-helix	trans	-124.4	-23.2	-162.8	-55.3	-71.8	0	0	0	115.9	T288	T288-Y292 HydrophobicContact CG2-CD2 4.25Å; T288-Y292 PolarHBondContact O-N 3.31Å
293	L	90.6	Very high	83.2	Confident	8 Å²	8	59.8 Å²	59.8	4%	0.042	30%	0.303	C	S	.	.	I	π-helix	trans	-98.5	-20.2	-175.5	-51.3	-178.3	0	0	0	114	F285 T288 V289 R365 L366 I369	F285-L293 HydrophobicContact CD2-CD1 4Å; F285-L293 HydrophobicContact CE2-CD1 3.93Å; T288-L293 PolarHBondContact O-N 3.07Å; V289-L293 HydrophobicContact CB-CD1 4.29Å; V289-L293 HydrophobicContact CG2-CB 4.4Å; V289-L293 PolarHBondContact O-N 3.31Å; L293-R365 HydrophobicContact CB-CB 4.44Å; L293-R365 HydrophobicContact CD2-CB 4.19Å; L293-R365 VanDerWaalsContact O-CD 3.27Å; L293-R365 WeakPolarHBondContact O-CD 3.47Å; L293-R365 PolarHBondContact O-NH1 3.32Å; L293-L366 HydrophobicContact CD1-CB 3.91Å; L293-I369 HydrophobicContact CD2-CD1 3.58Å; L293-I369 HydrophobicContact CD2-CG1 4.09Å
294	L	88.4	Confident	80.8	Confident	15 Å²	15	61.2 Å²	61.2	8%	0.079	31%	0.312	C	S	.	.	S	Bend	trans	-79.8	128.4	174.9	-67.5	-175.1	0	0	0	111.9	V289 E298 K299 F302 Y358 Y362	V289-L294 HydrophobicContact CG2-CD2 4.37Å; V289-L294 HydrophobicContact CG2-CG 4.36Å; V289-L294 PolarHBondContact O-N 3.36Å; V289-L294 VanDerWaalsContact O-N 3.11Å; L294-E298 HydrophobicContact CD2-CB 4.16Å; L294-K299 HydrophobicContact CB-CD 4.48Å; L294-K299 HydrophobicContact CB-CG 3.69Å; L294-K299 HydrophobicContact CD1-CG 4.12Å; L294-K299 WeakPolarHBondContact O-CE 3.41Å; L294-F302 HydrophobicContact CD1-CB 3.97Å; L294-F302 HydrophobicContact CD1-CD2 4.47Å; L294-F302 HydrophobicContact CD1-CG 4.35Å; L294-F302 HydrophobicContact CD2-CD2 3.96Å; L294-F302 HydrophobicContact CD2-CE2 4.22Å; L294-F302 HydrophobicContact CD2-CG 4.4Å; L294-Y358 HydrophobicContact CD2-CE1 4.04Å; L294-Y362 HydrophobicContact CD2-CD1 4.19Å; L294-Y362 HydrophobicContact CD2-CE1 3.67Å
295	L	86.6	Confident	78.7	Confident	24 Å²	24	64.1 Å²	64.1	13%	0.126	33%	0.328	C	S	.	.			trans	-70.3	156.6	169.1	-65.7	169.2	0	0	0	110.3	T201 N297 E298 K299 I497	T201-L295 HydrophobicContact CG2-CD1 4.29Å; L295-N297 VanDerWaalsContact C-N 3.31Å; L295-N297 PolarHBondContact O-N 3.42Å; L295-E298 HydrophobicContact CB-CG 4.22Å; L295-E298 WeakPolarHBondContact CB-OE2 3.42Å; L295-E298 PolarHBondContact N-OE2 2.99Å; L295-E298 WeakPolarHBondContact O-CB 3.29Å; L295-E298 PolarHBondContact O-N 3.19Å; L295-K299 PolarHBondContact O-N 3.35Å; L295-I497 HydrophobicContact CD2-CD1 3.9Å
296	P	82.9	Confident	76.5	Confident	97 Å²	97	66.5 Å²	66.5	63%	0.63	34%	0.338	S	S	*	.	H	α-helix	trans	-52.3	-44.1	-175.7	-29	36.4	0	0	0	114.3	E298 K299	P296-E298 VanDerWaalsContact C-N 3.34Å; P296-E298 PolarHBondContact O-N 3.43Å; P296-K299 PolarHBondContact O-N 2.92Å
297	N	78	Confident	74.4	Confident	52 Å²	52	71.7 Å²	71.7	28%	0.278	37%	0.366	S	S	.	.	H	α-helix	trans	-65.3	-36	178.6	-61	-17.3	0	0	0	112.6	S204 D205 L295 L300 Y301	S204-N297 PolarHBondContact O-ND2 3.46Å; D205-N297 PolarHBondContact O-ND2 3.47Å; L295-N297 VanDerWaalsContact C-N 3.31Å; L295-N297 PolarHBondContact O-N 3.42Å; N297-L300 PolarHBondContact O-N 2.93Å; N297-Y301 VanDerWaalsContact O-CD2 3.25Å; N297-Y301 WeakPolarHBondContact O-CD2 3.46Å
298	E	80.3	Confident	72.5	Confident	5 Å²	5	65.4 Å²	65.4	2%	0.023	35%	0.345	C	S	.	.	H	α-helix	trans	-70.8	-34.7	-178.7	-62.5	173.2	141.9	0	0	111.6	H200 S204 L294 L295 P296 L300 Y301 F302 Y362 R365	H200-E298 IonicContact CE1-OE1 3.19Å; S204-E298 WeakPolarHBondContact CB-OE1 3.43Å; S204-E298 PolarHBondContact OG-OE1 3.08Å; L294-E298 HydrophobicContact CD2-CB 4.16Å; L295-E298 HydrophobicContact CB-CG 4.22Å; L295-E298 WeakPolarHBondContact CB-OE2 3.42Å; L295-E298 PolarHBondContact N-OE2 2.99Å; L295-E298 WeakPolarHBondContact O-CB 3.29Å; L295-E298 PolarHBondContact O-N 3.19Å; P296-E298 VanDerWaalsContact C-N 3.34Å; P296-E298 PolarHBondContact O-N 3.43Å; E298-L300 PolarHBondContact O-N 3.35Å; E298-L300 VanDerWaalsContact O-N 3.12Å; E298-Y301 PolarHBondContact O-N 3.15Å; E298-F302 HydrophobicContact CB-CD2 4.13Å; E298-F302 HydrophobicContact CB-CE2 4.35Å; E298-F302 WeakPolarHBondContact O-CD2 3.3Å; E298-F302 PolarHBondContact O-N 3.26Å; E298-Y362 PolarHBondContact OE1-OH 2.98Å; E298-R365 VanDerWaalsContact CD-NH1 3.34Å; E298-R365 IonicContact OE1-CZ 3.3Å; E298-R365 IonicContact OE1-NH1 2.67Å; E298-R365 PolarHBondContact OE1-NH1 3.15Å; E298-R365 IonicContact OE1-NH2 3.26Å; E298-R365 PolarHBondContact OE1-NH2 2.85Å; E298-R365 IonicContact OE2-CZ 3.95Å; E298-R365 IonicContact OE2-NH1 3.12Å; E298-R365 PolarHBondContact OE2-NH1 2.71Å; E298-R365 IonicContact OE2-NH2 3.3Å
299	K	77.6	Confident	70.8	Confident	80 Å²	80	68.2 Å²	68.2	35%	0.348	36%	0.358	S	S	.	.	H	α-helix	trans	-52.9	-37.4	178.3	-68.4	-173.5	176.8	-170.3	0	111.3	N290 S291 L294 L295 P296 Y301 F302 T303	N290-K299 WeakPolarHBondContact O-CE 3.38Å; N290-K299 PolarHBondContact O-NZ 2.91Å; S291-K299 PolarHBondContact O-NZ 2.94Å; L294-K299 HydrophobicContact CB-CD 4.48Å; L294-K299 HydrophobicContact CB-CG 3.69Å; L294-K299 HydrophobicContact CD1-CG 4.12Å; L294-K299 WeakPolarHBondContact O-CE 3.41Å; L295-K299 PolarHBondContact O-N 3.35Å; P296-K299 PolarHBondContact O-N 2.92Å; K299-Y301 PolarHBondContact O-N 3.47Å; K299-F302 PolarHBondContact O-N 2.96Å; K299-T303 WeakPolarHBondContact O-CB 3.31Å; K299-T303 VanDerWaalsContact O-CG2 3.23Å; K299-T303 WeakPolarHBondContact O-CG2 3.41Å; K299-T303 PolarHBondContact O-N 2.91Å; K299-T303 PolarHBondContact O-OG1 3.25Å
300	L	67.4	Low	69.4	Low	118 Å²	118	68.2 Å²	68.2	62%	0.618	36%	0.358	S	S	*	.	H	α-helix	trans	-63.2	-36.3	176.9	-58.8	174.4	0	0	0	114	N297 E298	N297-L300 PolarHBondContact O-N 2.93Å; E298-L300 PolarHBondContact O-N 3.35Å; E298-L300 VanDerWaalsContact O-N 3.12Å
301	Y	63.2	Low	68	Low	116 Å²	116	65.1 Å²	65.1	46%	0.455	34%	0.34	S	S	.	.	H	α-helix	trans	-82.5	-31.1	179.7	-62.2	-70.2	0	0	0	112.5	G207 N297 E298 K299	G207-Y301 PolarHBondContact O-OH 3.16Å; N297-Y301 VanDerWaalsContact O-CD2 3.25Å; N297-Y301 WeakPolarHBondContact O-CD2 3.46Å; E298-Y301 PolarHBondContact O-N 3.15Å; K299-Y301 PolarHBondContact O-N 3.47Å
302	F	65.3	Low	66.4	Low	30 Å²	30	65.5 Å²	65.5	13%	0.132	33%	0.334	C	S	.	.	H	α-helix	trans	-89.6	-19.2	-178.6	-77	-85.8	0	0	0	114.3	L294 E298 K299 N304 F306 Y358 Y362	L294-F302 HydrophobicContact CD1-CB 3.97Å; L294-F302 HydrophobicContact CD1-CD2 4.47Å; L294-F302 HydrophobicContact CD1-CG 4.35Å; L294-F302 HydrophobicContact CD2-CD2 3.96Å; L294-F302 HydrophobicContact CD2-CE2 4.22Å; L294-F302 HydrophobicContact CD2-CG 4.4Å; E298-F302 HydrophobicContact CB-CD2 4.13Å; E298-F302 HydrophobicContact CB-CE2 4.35Å; E298-F302 WeakPolarHBondContact O-CD2 3.3Å; E298-F302 PolarHBondContact O-N 3.26Å; K299-F302 PolarHBondContact O-N 2.96Å; F302-N304 VanDerWaalsContact C-N 3.34Å; F302-F306 HydrophobicContact CD1-CB 4.36Å; F302-F306 AromaticContact CD1-CD2 3.45Å; F302-F306 HydrophobicContact CD1-CD2 3.45Å; F302-F306 VanDerWaalsContact CD1-CD2 3.45Å; F302-F306 AromaticContact CD1-CE2 3.91Å; F302-F306 HydrophobicContact CD1-CE2 3.91Å; F302-F306 HydrophobicContact CD1-CG 4.02Å; F302-F306 AromaticContact CE1-CD2 3.22Å; F302-F306 HydrophobicContact CE1-CD2 3.22Å; F302-F306 HydrophobicContact CE1-CE1 4.49Å; F302-F306 AromaticContact CE1-CE2 3.15Å; F302-F306 HydrophobicContact CE1-CE2 3.15Å; F302-F306 AromaticContact CE1-CG 3.98Å; F302-F306 HydrophobicContact CE1-CG 3.98Å; F302-F306 AromaticContact CE1-CZ 3.84Å; F302-F306 HydrophobicContact CE1-CZ 3.84Å; F302-F306 HydrophobicContact CG-CD2 4.44Å; F302-F306 HydrophobicContact CZ-CD2 4.05Å; F302-F306 AromaticContact CZ-CE2 3.63Å; F302-F306 HydrophobicContact CZ-CE2 3.63Å; F302-F306 HydrophobicContact CZ-CZ 4.36Å; F302-Y358 HydrophobicContact CD1-CD1 4.42Å; F302-Y358 AromaticContact CD1-CE1 3.44Å; F302-Y358 HydrophobicContact CD1-CE1 3.44Å; F302-Y358 VanDerWaalsContact CD1-CE1 3.44Å; F302-Y358 HydrophobicContact CD1-CE2 4.42Å; F302-Y358 AromaticContact CD1-CZ 3.46Å; F302-Y358 VanDerWaalsContact CD1-CZ 3.46Å; F302-Y358 VanDerWaalsContact CD1-OH 3.23Å; F302-Y358 WeakPolarHBondContact CD1-OH 3.48Å; F302-Y358 AromaticContact CE1-CD1 3.76Å; F302-Y358 HydrophobicContact CE1-CD1 3.76Å; F302-Y358 AromaticContact CE1-CE1 3.17Å; F302-Y358 HydrophobicContact CE1-CE1 3.17Å; F302-Y358 HydrophobicContact CE1-CE2 4.49Å; F302-Y358 AromaticContact CE1-CZ 3.64Å; F302-Y358 HydrophobicContact CE2-CE1 4.36Å; F302-Y358 HydrophobicContact CG-CE1 4.13Å; F302-Y358 HydrophobicContact CZ-CD1 4.13Å; F302-Y358 AromaticContact CZ-CE1 3.7Å; F302-Y358 HydrophobicContact CZ-CE1 3.7Å; F302-Y362 WeakPolarHBondContact CE2-OH 3.46Å; F302-Y362 HydrophobicContact CZ-CE2 4.17Å; F302-Y362 AromaticContact CZ-CZ 3.92Å
303	T	53.2	Low	64.7	Low	101 Å²	101	67.1 Å²	67.1	62%	0.62	35%	0.352	S	S	*	.	S	Bend	trans	-74.6	-23.5	173.3	50.7	0	0	0	0	113.6	K299	K299-T303 WeakPolarHBondContact O-CB 3.31Å; K299-T303 VanDerWaalsContact O-CG2 3.23Å; K299-T303 WeakPolarHBondContact O-CG2 3.41Å; K299-T303 PolarHBondContact O-N 2.91Å; K299-T303 PolarHBondContact O-OG1 3.25Å
304	N	45.4	Very low	62.6	Low	125 Å²	125	68.7 Å²	68.7	67%	0.668	37%	0.37	S	S	*	.	S	Bend	trans	-106.2	81.1	-176.1	-65.7	-18.9	0	0	0	109.7	F302	F302-N304 VanDerWaalsContact C-N 3.34Å
305	D	49.9	Very low	60.8	Low	101 Å²	101	73.4 Å²	73.4	54%	0.54	39%	0.391	S	S	.	.			trans	37	97.5	178.4	-76.6	-46.9	0	0	0	114.9	N307 R352	D305-N307 VanDerWaalsContact C-N 3.27Å; D305-N307 PolarHBondContact O-N 2.88Å; D305-R352 IonicContact OD1-NH1 3.09Å; D305-R352 IonicContact OD1-NH2 3.09Å
306	F	51.3	Low	59	Low	51 Å²	51	72.4 Å²	72.4	22%	0.224	39%	0.387	C	S	.	.			trans	-64.2	87.3	172	-170	-108	0	0	0	110.9	Y216 F302 G308 N357	Y216-F306 WeakPolarHBondContact OH-CZ 3.48Å; F302-F306 HydrophobicContact CD1-CB 4.36Å; F302-F306 AromaticContact CD1-CD2 3.45Å; F302-F306 HydrophobicContact CD1-CD2 3.45Å; F302-F306 VanDerWaalsContact CD1-CD2 3.45Å; F302-F306 AromaticContact CD1-CE2 3.91Å; F302-F306 HydrophobicContact CD1-CE2 3.91Å; F302-F306 HydrophobicContact CD1-CG 4.02Å; F302-F306 AromaticContact CE1-CD2 3.22Å; F302-F306 HydrophobicContact CE1-CD2 3.22Å; F302-F306 HydrophobicContact CE1-CE1 4.49Å; F302-F306 AromaticContact CE1-CE2 3.15Å; F302-F306 HydrophobicContact CE1-CE2 3.15Å; F302-F306 AromaticContact CE1-CG 3.98Å; F302-F306 HydrophobicContact CE1-CG 3.98Å; F302-F306 AromaticContact CE1-CZ 3.84Å; F302-F306 HydrophobicContact CE1-CZ 3.84Å; F302-F306 HydrophobicContact CG-CD2 4.44Å; F302-F306 HydrophobicContact CZ-CD2 4.05Å; F302-F306 AromaticContact CZ-CE2 3.63Å; F302-F306 HydrophobicContact CZ-CE2 3.63Å; F302-F306 HydrophobicContact CZ-CZ 4.36Å; F306-G308 VanDerWaalsContact CD1-O 3.3Å; F306-G308 WeakPolarHBondContact CD1-O 3.48Å; F306-G308 WeakPolarHBondContact CE1-O 3.44Å; F306-G308 PolarHBondContact O-N 3.37Å; F306-N357 HydrophobicContact CD1-CB 4.47Å; F306-N357 WeakPolarHBondContact CE1-O 3.48Å
307	N	48.4	Very low	57.5	Low	140 Å²	140	70 Å²	70	75%	0.749	37%	0.367	S	S	*	.			trans	-66.1	-2.2	178.1	-74.3	-37.9	0	0	0	113.4	D305 H309	D305-N307 VanDerWaalsContact C-N 3.27Å; D305-N307 PolarHBondContact O-N 2.88Å; N307-H309 VanDerWaalsContact C-N 3.26Å; N307-H309 PolarHBondContact O-N 3.15Å; N307-H309 VanDerWaalsContact O-N 3.08Å
308	G	53	Low	55.9	Low	24 Å²	24	69.5 Å²	69.5	25%	0.247	37%	0.367	C	S	.	.			trans	-79	69.6	169.2	0	0	0	0	0	111.2	F306 L310	F306-G308 VanDerWaalsContact CD1-O 3.3Å; F306-G308 WeakPolarHBondContact CD1-O 3.48Å; F306-G308 WeakPolarHBondContact CE1-O 3.44Å; F306-G308 PolarHBondContact O-N 3.37Å; G308-L310 PolarHBondContact O-N 3.32Å
309	H	55.9	Low	54.3	Low	63 Å²	63	74.4 Å²	74.4	29%	0.292	40%	0.397	S	S	.	.			trans	-65.4	87.3	171.2	-74.3	-55.7	0	0	0	110.2	N307 F311 E312	N307-H309 VanDerWaalsContact C-N 3.26Å; N307-H309 PolarHBondContact O-N 3.15Å; N307-H309 VanDerWaalsContact O-N 3.08Å; H309-F311 PolarHBondContact O-N 3.35Å; H309-E312 HydrophobicContact CB-CB 4.1Å; H309-E312 HydrophobicContact CB-CG 3.81Å; H309-E312 WeakPolarHBondContact CB-OE1 3.22Å; H309-E312 IonicContact CD2-OE1 2.65Å; H309-E312 IonicContact CG-OE1 3.22Å
310	L	61.5	Low	52.8	Low	1 Å²	1	76.5 Å²	76.5	1%	0.005	41%	0.412	C	S	.	.	S	Bend	trans	-67.7	-19.4	162.1	-79.9	-178.6	0	0	0	111.2	Y216 G308 A316 F317	Y216-L310 HydrophobicContact CD2-CD1 3.77Å; Y216-L310 HydrophobicContact CD2-CD2 3.85Å; Y216-L310 HydrophobicContact CD2-CG 4.09Å; Y216-L310 HydrophobicContact CE2-CD1 3.84Å; Y216-L310 HydrophobicContact CE2-CD2 3.91Å; Y216-L310 HydrophobicContact CE2-CG 3.86Å; G308-L310 PolarHBondContact O-N 3.32Å; L310-A316 CarbonylContact O-C 2.81Å; L310-A316 WeakPolarHBondContact O-CA 3.33Å; L310-F317 PolarHBondContact O-N 2.86Å
311	F	55	Low	52	Low	21 Å²	21	74.5 Å²	74.5	9%	0.092	40%	0.397	C	S	.	.	S	Bend	trans	-114.1	105.4	167.2	-176	-100.1	0	0	0	109.7	H309 Q315 A316 V347 P351 L356	H309-F311 PolarHBondContact O-N 3.35Å; F311-Q315 WeakPolarHBondContact CA-O 3.2Å; F311-A316 HydrophobicContact CD2-CB 4.35Å; F311-V347 HydrophobicContact CD1-CG1 4.35Å; F311-V347 HydrophobicContact CD2-CG1 4.11Å; F311-V347 HydrophobicContact CE1-CG1 3.69Å; F311-V347 HydrophobicContact CE2-CG1 3.4Å; F311-V347 HydrophobicContact CZ-CG1 3.15Å; F311-P351 HydrophobicContact CD1-CB 3.96Å; F311-P351 HydrophobicContact CE1-CB 3.97Å; F311-L356 HydrophobicContact CB-CB 4.17Å; F311-L356 HydrophobicContact CD2-CD2 4.31Å
312	E	53.5	Low	51.4	Low	77 Å²	77	76.8 Å²	76.8	36%	0.36	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-134.1	133.6	-178.6	-136	165.5	-141	0	0	108.5	H309 G314 Q315 V319	H309-E312 HydrophobicContact CB-CB 4.1Å; H309-E312 HydrophobicContact CB-CG 3.81Å; H309-E312 WeakPolarHBondContact CB-OE1 3.22Å; H309-E312 IonicContact CD2-OE1 2.65Å; H309-E312 IonicContact CG-OE1 3.22Å; E312-G314 VanDerWaalsContact C-N 3.29Å; E312-G314 PolarHBondContact O-N 3.3Å; E312-G314 VanDerWaalsContact O-N 3.1Å; E312-Q315 PolarHBondContact N-O 3.49Å; E312-Q315 WeakPolarHBondContact O-CA 3.41Å; E312-Q315 PolarHBondContact O-N 3.45Å; E312-V319 VanDerWaalsContact OE2-CG2 3.32Å; E312-V319 WeakPolarHBondContact OE2-CG2 3.41Å
313	D	50.6	Low	50.6	Low	161 Å²	161	83.5 Å²	83.5	86%	0.861	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	40.2	179.6	-67.7	-20	0	0	0	116.8	Q315	D313-Q315 PolarHBondContact O-N 2.87Å
314	G	48.5	Very low	50.4	Low	41 Å²	41	80.5 Å²	80.5	42%	0.423	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	6.6	-179.6	0	0	0	0	0	114	E312 Y332	E312-G314 VanDerWaalsContact C-N 3.29Å; E312-G314 PolarHBondContact O-N 3.3Å; E312-G314 VanDerWaalsContact O-N 3.1Å; G314-Y332 VanDerWaalsContact O-CE2 3.32Å; G314-Y332 WeakPolarHBondContact O-CE2 3.33Å
315	Q	48.9	Very low	50.5	Low	113 Å²	113	77 Å²	77	53%	0.528	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-114.9	129.1	178	-59.2	-172.7	49.5	0	0	109.5	F311 E312 D313 F317	F311-Q315 WeakPolarHBondContact CA-O 3.2Å; E312-Q315 PolarHBondContact N-O 3.49Å; E312-Q315 WeakPolarHBondContact O-CA 3.41Å; E312-Q315 PolarHBondContact O-N 3.45Å; D313-Q315 PolarHBondContact O-N 2.87Å; Q315-F317 HydrophobicContact CB-CD2 4.43Å; Q315-F317 PolarHBondContact O-N 3.26Å
316	A	48.6	Very low	50.2	Low	3 Å²	3	79.1 Å²	79.1	3%	0.025	43%	0.427	C	S	.	.	S	Bend	trans	-85	43.9	-179	0	0	0	0	0	112.1	Q222 L310 F311	Q222-A316 HydrophobicContact CG-CB 4.17Å; Q222-A316 PolarHBondContact NE2-O 2.86Å; Q222-A316 PolarHBondContact OE1-O 3.29Å; L310-A316 CarbonylContact O-C 2.81Å; L310-A316 WeakPolarHBondContact O-CA 3.33Å; F311-A316 HydrophobicContact CD2-CB 4.35Å
317	F	51.7	Low	49.9	Very low	48 Å²	48	83.7 Å²	83.7	21%	0.211	45%	0.454	C	S	.	.	S	Bend	trans	-137.4	138.8	178.2	-53.6	-72.4	0	0	0	111	L310 Q315 V319 I328	L310-F317 PolarHBondContact O-N 2.86Å; Q315-F317 HydrophobicContact CB-CD2 4.43Å; Q315-F317 PolarHBondContact O-N 3.26Å; F317-V319 PolarHBondContact O-N 3.07Å; F317-I328 HydrophobicContact CD2-CG2 4.21Å; F317-I328 HydrophobicContact CE1-CD1 4.21Å; F317-I328 HydrophobicContact CE1-CG2 3.68Å; F317-I328 HydrophobicContact CE2-CG2 3.3Å; F317-I328 HydrophobicContact CZ-CB 4.42Å; F317-I328 HydrophobicContact CZ-CG2 3.01Å
318	S	45.8	Very low	49.8	Very low	40 Å²	40	78.5 Å²	78.5	28%	0.28	43%	0.426	S	S	.	.			trans	-65	129.1	162.3	-176.8	0	0	0	0	109.1	N320 Y321	S318-N320 PolarHBondContact O-N 3.32Å; S318-Y321 PolarHBondContact O-N 3.5Å
319	V	44.9	Very low	49.2	Very low	108 Å²	108	85.3 Å²	85.3	66%	0.655	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-15.3	-173.4	-176	0	0	0	0	113.6	E312 F317 Y321	E312-V319 VanDerWaalsContact OE2-CG2 3.32Å; E312-V319 WeakPolarHBondContact OE2-CG2 3.41Å; F317-V319 PolarHBondContact O-N 3.07Å; V319-Y321 PolarHBondContact O-N 2.86Å
320	N	47.1	Very low	48.4	Very low	124 Å²	124	85.6 Å²	85.6	66%	0.663	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	7.2	-175.4	-64.2	-46.6	0	0	0	115.5	S318 H322	S318-N320 PolarHBondContact O-N 3.32Å; N320-H322 PolarHBondContact O-N 3.39Å
321	Y	50.6	Low	47.8	Very low	77 Å²	77	87.9 Å²	87.9	30%	0.302	47%	0.474	S	S	.	.			trans	-90.1	86.9	178.3	-120.5	-89.3	0	0	0	113	Q215 W217 S318 V319 H323 G324	Q215-Y321 VanDerWaalsContact CD-OH 3.31Å; Q215-Y321 HydrophobicContact CG-CE2 3.82Å; Q215-Y321 PolarHBondContact NE2-OH 3.45Å; W217-Y321 HydrophobicContact CB-CD1 4.21Å; W217-Y321 HydrophobicContact CB-CD2 3.83Å; W217-Y321 HydrophobicContact CB-CE1 3.94Å; W217-Y321 HydrophobicContact CB-CE2 3.52Å; W217-Y321 HydrophobicContact CB-CG 4.15Å; S318-Y321 PolarHBondContact O-N 3.5Å; V319-Y321 PolarHBondContact O-N 2.86Å; Y321-H323 PolarHBondContact O-N 2.92Å; Y321-G324 PolarHBondContact O-N 3.47Å
322	H	50.4	Low	47.2	Very low	164 Å²	164	90.3 Å²	90.3	76%	0.759	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-6	-176.6	-61	-53.2	0	0	0	116.4	N320	N320-H322 PolarHBondContact O-N 3.39Å
323	H	47.9	Very low	46.8	Very low	171 Å²	171	97 Å²	97	79%	0.792	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.9	41.7	-178	-61	-41.6	0	0	0	113	Y321	Y321-H323 PolarHBondContact O-N 2.92Å
324	G	50.3	Low	47	Very low	38 Å²	38	91.4 Å²	91.4	39%	0.392	47%	0.473	S	S	.	.			trans	-57.7	133.4	167.2	0	0	0	0	0	111.1	Y321 N326	Y321-G324 PolarHBondContact O-N 3.47Å; G324-N326 PolarHBondContact O-N 3.44Å
325	P	46.9	Very low	47	Very low	52 Å²	52	95 Å²	95	34%	0.338	49%	0.492	S	S	.	.			trans	-52.9	125.6	173.1	-27.2	30.6	0	0	0	112.1	D327 I328 F404	P325-D327 PolarHBondContact O-N 3Å; P325-I328 HydrophobicContact CB-CD1 4.05Å; P325-I328 HydrophobicContact CB-CG1 4.22Å; P325-I328 HydrophobicContact CG-CD1 4Å; P325-I328 VanDerWaalsContact O-CB 3.23Å; P325-I328 WeakPolarHBondContact O-CB 3.49Å; P325-I328 VanDerWaalsContact O-CG1 3.29Å; P325-I328 WeakPolarHBondContact O-CG1 3.41Å; P325-I328 PolarHBondContact O-N 3.15Å; P325-F404 HydrophobicContact CG-CE2 4.33Å
326	N	42.4	Very low	47.7	Very low	144 Å²	144	90.8 Å²	90.8	77%	0.77	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-55.3	-23	-176.6	-68.4	-23.2	0	0	0	114	G324 I328	G324-N326 PolarHBondContact O-N 3.44Å; N326-I328 PolarHBondContact O-N 3.04Å; N326-I328 VanDerWaalsContact O-N 3.16Å
327	D	45.1	Very low	48.7	Very low	148 Å²	148	95.6 Å²	95.6	79%	0.791	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-69.8	-1.7	176.7	-61.1	-36.2	0	0	0	114.6	P325	P325-D327 PolarHBondContact O-N 3Å
328	I	46.5	Very low	49.6	Very low	31 Å²	31	99.9 Å²	99.9	16%	0.159	52%	0.52	C	S	.	.	G	3₁₀ helix	trans	-82.5	-18.7	-175.3	-74.7	179.2	0	0	0	113.4	W217 F317 P325 N326 S330 V331	W217-I328 HydrophobicContact CZ3-CD1 3.98Å; F317-I328 HydrophobicContact CD2-CG2 4.21Å; F317-I328 HydrophobicContact CE1-CD1 4.21Å; F317-I328 HydrophobicContact CE1-CG2 3.68Å; F317-I328 HydrophobicContact CE2-CG2 3.3Å; F317-I328 HydrophobicContact CZ-CB 4.42Å; F317-I328 HydrophobicContact CZ-CG2 3.01Å; P325-I328 HydrophobicContact CB-CD1 4.05Å; P325-I328 HydrophobicContact CB-CG1 4.22Å; P325-I328 HydrophobicContact CG-CD1 4Å; P325-I328 VanDerWaalsContact O-CB 3.23Å; P325-I328 WeakPolarHBondContact O-CB 3.49Å; P325-I328 VanDerWaalsContact O-CG1 3.29Å; P325-I328 WeakPolarHBondContact O-CG1 3.41Å; P325-I328 PolarHBondContact O-N 3.15Å; N326-I328 PolarHBondContact O-N 3.04Å; N326-I328 VanDerWaalsContact O-N 3.16Å; I328-S330 PolarHBondContact O-N 3.16Å; I328-V331 HydrophobicContact CG2-CG2 4.49Å; I328-V331 WeakPolarHBondContact O-CG2 3.32Å; I328-V331 PolarHBondContact O-N 2.75Å
329	H	41.4	Very low	51.5	Low	167 Å²	167	99.9 Å²	99.9	77%	0.773	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	21	-173.9	-71.7	-69.3	0	0	0	116.3
330	S	39.8	Very low	53.4	Low	68 Å²	68	96.6 Å²	96.6	48%	0.476	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.5	18.8	179.7	-167.4	0	0	0	0	114.8	I328 Y332 R333	I328-S330 PolarHBondContact O-N 3.16Å; S330-Y332 PolarHBondContact O-N 2.84Å; S330-R333 PolarHBondContact O-N 3.04Å; S330-R333 VanDerWaalsContact OG-CB 3.27Å; S330-R333 WeakPolarHBondContact OG-CB 3.4Å
331	V	47.2	Very low	55.5	Low	50 Å²	50	91 Å²	91	30%	0.303	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-21.3	-177.6	169.3	0	0	0	0	114.2	I328 F334	I328-V331 HydrophobicContact CG2-CG2 4.49Å; I328-V331 WeakPolarHBondContact O-CG2 3.32Å; I328-V331 PolarHBondContact O-N 2.75Å; V331-F334 WeakPolarHBondContact O-CE1 3.04Å; V331-F334 WeakPolarHBondContact O-CZ 3.35Å
332	Y	43.6	Very low	57.3	Low	71 Å²	71	87.8 Å²	87.8	28%	0.278	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	12.5	177.6	-62	-63.7	0	0	0	115.3	G314 S330 F334 N344	G314-Y332 VanDerWaalsContact O-CE2 3.32Å; G314-Y332 WeakPolarHBondContact O-CE2 3.33Å; S330-Y332 PolarHBondContact O-N 2.84Å; Y332-F334 HydrophobicContact CD1-CE2 4.16Å; Y332-F334 AromaticContact CD1-CZ 3.99Å; Y332-F334 HydrophobicContact CD1-CZ 3.99Å; Y332-N344 WeakPolarHBondContact CD1-ND2 2.98Å; Y332-N344 WeakPolarHBondContact CD1-OD1 3.3Å; Y332-N344 VanDerWaalsContact CE1-OD1 3.3Å; Y332-N344 WeakPolarHBondContact CE1-OD1 3.39Å
333	R	44.7	Very low	59	Low	217 Å²	217	82.5 Å²	82.5	82%	0.819	43%	0.43	S	S	*	.			trans	-107.2	64.6	179.1	-141.4	-179.6	-152.4	135.3	5.1	111.5	S330	S330-R333 PolarHBondContact O-N 3.04Å; S330-R333 VanDerWaalsContact OG-CB 3.27Å; S330-R333 WeakPolarHBondContact OG-CB 3.4Å
334	F	53.7	Low	60.3	Low	45 Å²	45	77.1 Å²	77.1	20%	0.197	41%	0.407	C	S	.	.			trans	-66.6	143.9	-175.9	-49.3	-72.7	0	0	0	112.8	Q225 V331 Y332 S336 E340	Q225-F334 HydrophobicContact CG-CE1 3.99Å; V331-F334 WeakPolarHBondContact O-CE1 3.04Å; V331-F334 WeakPolarHBondContact O-CZ 3.35Å; Y332-F334 HydrophobicContact CD1-CE2 4.16Å; Y332-F334 AromaticContact CD1-CZ 3.99Å; Y332-F334 HydrophobicContact CD1-CZ 3.99Å; F334-S336 PolarHBondContact O-N 3.38Å; F334-E340 HydrophobicContact CD1-CB 4.46Å; F334-E340 HydrophobicContact CD2-CB 3.95Å; F334-E340 VanDerWaalsContact CD2-CD 3.49Å; F334-E340 HydrophobicContact CD2-CG 3.78Å; F334-E340 HydrophobicContact CE1-CG 4.42Å; F334-E340 HydrophobicContact CE2-CB 4.12Å; F334-E340 HydrophobicContact CE2-CG 3.46Å; F334-E340 VanDerWaalsContact CE2-CG 3.46Å; F334-E340 WeakPolarHBondContact CE2-OE1 3.41Å; F334-E340 HydrophobicContact CG-CB 4.14Å; F334-E340 HydrophobicContact CG-CG 4.39Å; F334-E340 HydrophobicContact CZ-CB 4.43Å; F334-E340 HydrophobicContact CZ-CG 3.81Å
335	S	49.6	Very low	61.7	Low	117 Å²	117	79 Å²	79	82%	0.818	42%	0.415	S	S	*	.	S	Bend	trans	-71.8	-15	174.3	-42.3	0	0	0	0	113.6
336	S	62.5	Low	63.6	Low	23 Å²	23	79.1 Å²	79.1	16%	0.161	41%	0.411	C	S	.	.			trans	-167	131.2	176.4	142.7	0	0	0	0	110	F334 R338 Y339	F334-S336 PolarHBondContact O-N 3.38Å; S336-R338 PolarHBondContact O-N 3.29Å; S336-R338 WeakPolarHBondContact OG-CB 3.26Å; S336-R338 PolarHBondContact OG-N 3.28Å; S336-Y339 PolarHBondContact O-N 2.73Å; S336-Y339 VanDerWaalsContact O-N 3.11Å
337	P	70.8	Confident	65.5	Low	105 Å²	105	72.4 Å²	72.4	68%	0.682	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-56.3	-23.7	175.8	-26.9	35.3	0	0	0	114.4	Y339 E340	P337-Y339 PolarHBondContact O-N 3.05Å; P337-E340 PolarHBondContact O-N 2.93Å; P337-E340 VanDerWaalsContact O-N 3.14Å
338	R	71.3	Confident	67.2	Low	137 Å²	137	71.9 Å²	71.9	52%	0.517	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-64.9	-7.8	177.4	-50.5	-176.8	-55.1	177	13.1	114.3	D9 S336	D9-R338 IonicContact OD2-CZ 3.53Å; D9-R338 IonicContact OD2-NH1 3.37Å; D9-R338 PolarHBondContact OD2-NH1 3.08Å; S336-R338 PolarHBondContact O-N 3.29Å; S336-R338 WeakPolarHBondContact OG-CB 3.26Å; S336-R338 PolarHBondContact OG-N 3.28Å
339	Y	84.2	Confident	69.1	Low	41 Å²	41	75.8 Å²	75.8	16%	0.161	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-120.6	3.7	177.7	-47.4	-55.3	0	0	0	112.7	Q225 R271 A275 S336 P337 L341	Q225-Y339 PolarHBondContact NE2-O 3.04Å; Q225-Y339 PolarHBondContact OE1-O 3.48Å; R271-Y339 HydrophobicContact CB-CE1 4.48Å; R271-Y339 HydrophobicContact CG-CD1 4.14Å; R271-Y339 HydrophobicContact CG-CE1 4.07Å; A275-Y339 HydrophobicContact CB-CD1 4Å; S336-Y339 PolarHBondContact O-N 2.73Å; S336-Y339 VanDerWaalsContact O-N 3.11Å; P337-Y339 PolarHBondContact O-N 3.05Å; Y339-L341 PolarHBondContact O-N 2.8Å
340	E	85	Confident	71.2	Confident	38 Å²	38	71 Å²	71	18%	0.178	37%	0.367	C	S	.	.			trans	-79	112.9	172.6	179.4	172.7	-167.3	0	0	108	F334 P337 P343 N344	F334-E340 HydrophobicContact CD1-CB 4.46Å; F334-E340 HydrophobicContact CD2-CB 3.95Å; F334-E340 VanDerWaalsContact CD2-CD 3.49Å; F334-E340 HydrophobicContact CD2-CG 3.78Å; F334-E340 HydrophobicContact CE1-CG 4.42Å; F334-E340 HydrophobicContact CE2-CB 4.12Å; F334-E340 HydrophobicContact CE2-CG 3.46Å; F334-E340 VanDerWaalsContact CE2-CG 3.46Å; F334-E340 WeakPolarHBondContact CE2-OE1 3.41Å; F334-E340 HydrophobicContact CG-CB 4.14Å; F334-E340 HydrophobicContact CG-CG 4.39Å; F334-E340 HydrophobicContact CZ-CB 4.43Å; F334-E340 HydrophobicContact CZ-CG 3.81Å; P337-E340 PolarHBondContact O-N 2.93Å; P337-E340 VanDerWaalsContact O-N 3.14Å; E340-P343 WeakPolarHBondContact OE1-CA 3.39Å; E340-N344 PolarHBondContact OE1-N 3.3Å; E340-N344 VanDerWaalsContact OE1-N 3.15Å; E340-N344 PolarHBondContact OE1-ND2 2.9Å
341	L	90.8	Very high	73.2	Confident	6 Å²	6	70.5 Å²	70.5	3%	0.031	36%	0.362	C	S	.	.	S	Bend	trans	-70	-38.6	-173.6	-67	-175.5	0	0	0	112.3	L221 L224 Q225 V228 A275 C278 R282 Y339	L221-L341 HydrophobicContact CD1-CB 3.95Å; L224-L341 HydrophobicContact CB-CD1 3.53Å; Q225-L341 HydrophobicContact CB-CD1 4.4Å; V228-L341 HydrophobicContact CG2-CD1 4.25Å; V228-L341 HydrophobicContact CG2-CD2 4.23Å; A275-L341 WeakPolarHBondContact O-CD2 3.5Å; C278-L341 HydrophobicContact CB-CD1 3.86Å; C278-L341 HydrophobicContact CB-CD2 3.96Å; R282-L341 PolarHBondContact NH1-O 3.41Å; R282-L341 PolarHBondContact NH2-O 3.15Å; Y339-L341 PolarHBondContact O-N 2.8Å
342	L	89.1	Confident	75	Confident	10 Å²	10	76.8 Å²	76.8	5%	0.052	38%	0.38	C	S	.	.	S	Bend	trans	-134.3	110	177.1	179.2	64.3	0	0	0	109.3	L221 R282 E346 V347 L353 L356	L221-L342 HydrophobicContact CD1-CB 3.88Å; L221-L342 HydrophobicContact CD2-CB 4.04Å; L221-L342 HydrophobicContact CD2-CD2 3.97Å; R282-L342 VanDerWaalsContact NH1-CD1 3.3Å; L342-E346 HydrophobicContact CD1-CB 3.76Å; L342-V347 HydrophobicContact CD2-CG2 3.72Å; L342-V347 HydrophobicContact CG-CG2 3.75Å; L342-L353 HydrophobicContact CD1-CD1 4.09Å; L342-L353 HydrophobicContact CD2-CD1 3.85Å; L342-L356 HydrophobicContact CD2-CD1 4.22Å; L342-L356 HydrophobicContact CD2-CD2 4.07Å; L342-L356 HydrophobicContact CD2-CG 4.07Å
343	P	85.6	Confident	77.1	Confident	53 Å²	53	75.3 Å²	75.3	34%	0.344	38%	0.377	S	S	.	.			trans	-57.4	138.6	179.8	-28.7	36.6	0	0	0	113.4	E340 S345 E346 V347	E340-P343 WeakPolarHBondContact OE1-CA 3.39Å; P343-S345 PolarHBondContact O-N 3.22Å; P343-E346 WeakPolarHBondContact O-CA 3.46Å; P343-E346 PolarHBondContact O-N 3.38Å; P343-V347 PolarHBondContact O-N 2.91Å; P343-V347 VanDerWaalsContact O-N 3.08Å
344	N	76	Confident	79.3	Confident	58 Å²	58	65.7 Å²	65.7	31%	0.31	34%	0.343	S	S	.	.	H	α-helix	trans	-47.6	-36.7	175.8	-82.1	-69.8	0	0	0	114.4	Y332 E340 E346 V347 I348	Y332-N344 WeakPolarHBondContact CD1-ND2 2.98Å; Y332-N344 WeakPolarHBondContact CD1-OD1 3.3Å; Y332-N344 VanDerWaalsContact CE1-OD1 3.3Å; Y332-N344 WeakPolarHBondContact CE1-OD1 3.39Å; E340-N344 PolarHBondContact OE1-N 3.3Å; E340-N344 VanDerWaalsContact OE1-N 3.15Å; E340-N344 PolarHBondContact OE1-ND2 2.9Å; N344-E346 VanDerWaalsContact C-N 3.32Å; N344-E346 PolarHBondContact O-N 2.77Å; N344-V347 WeakPolarHBondContact O-CB 3.22Å; N344-V347 PolarHBondContact O-N 3.19Å; N344-I348 WeakPolarHBondContact O-CG1 3.33Å; N344-I348 PolarHBondContact O-N 3.39Å
345	S	80.3	Confident	81.1	Confident	79 Å²	79	63.6 Å²	63.6	55%	0.552	33%	0.333	S	S	*	.	H	α-helix	trans	-62.9	-35.6	175.9	54.4	0	0	0	0	113.3	P343 K349	P343-S345 PolarHBondContact O-N 3.22Å; S345-K349 VanDerWaalsContact O-CB 3.25Å; S345-K349 WeakPolarHBondContact O-CB 3.44Å; S345-K349 PolarHBondContact O-N 3.21Å; S345-K349 VanDerWaalsContact O-N 3.16Å
346	E	85.6	Confident	82.9	Confident	54 Å²	54	58 Å²	58	25%	0.252	29%	0.294	S	S	.	.	H	α-helix	trans	-79.8	-29.5	176.3	-69.9	-60.6	148.9	0	0	111.9	L342 P343 N344 K349 N350	L342-E346 HydrophobicContact CD1-CB 3.76Å; P343-E346 WeakPolarHBondContact O-CA 3.46Å; P343-E346 PolarHBondContact O-N 3.38Å; N344-E346 VanDerWaalsContact C-N 3.32Å; N344-E346 PolarHBondContact O-N 2.77Å; E346-K349 PolarHBondContact O-N 2.94Å; E346-K349 IonicContact OE1-NZ 2.8Å; E346-K349 PolarHBondContact OE1-NZ 3.22Å; E346-K349 WeakPolarHBondContact OE2-CD 3.34Å; E346-K349 IonicContact OE2-NZ 3.94Å; E346-K349 PolarHBondContact OE2-NZ 3.02Å; E346-N350 WeakPolarHBondContact O-CB 3.29Å; E346-N350 PolarHBondContact O-N 3.14Å; E346-N350 PolarHBondContact OE2-ND2 2.98Å
347	V	83.6	Confident	84	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-61.2	-48.7	169.7	-177.6	0	0	0	0	110.7	F311 L342 P343 N344 K349 N350 P351 L356	F311-V347 HydrophobicContact CD1-CG1 4.35Å; F311-V347 HydrophobicContact CD2-CG1 4.11Å; F311-V347 HydrophobicContact CE1-CG1 3.69Å; F311-V347 HydrophobicContact CE2-CG1 3.4Å; F311-V347 HydrophobicContact CZ-CG1 3.15Å; L342-V347 HydrophobicContact CD2-CG2 3.72Å; L342-V347 HydrophobicContact CG-CG2 3.75Å; P343-V347 PolarHBondContact O-N 2.91Å; P343-V347 VanDerWaalsContact O-N 3.08Å; N344-V347 WeakPolarHBondContact O-CB 3.22Å; N344-V347 PolarHBondContact O-N 3.19Å; V347-K349 VanDerWaalsContact C-N 3.32Å; V347-K349 PolarHBondContact O-N 2.92Å; V347-N350 CarbonylContact O-C 3.57Å; V347-N350 PolarHBondContact O-N 3.24Å; V347-P351 WeakPolarHBondContact O-CA 3.44Å; V347-P351 VanDerWaalsContact O-N 3.15Å; V347-L356 HydrophobicContact CG1-CD1 3.9Å; V347-L356 HydrophobicContact CG1-CD2 4.04Å; V347-L356 HydrophobicContact CG2-CD2 4.33Å
348	I	79.6	Confident	84.8	Confident	137 Å²	137	53.2 Å²	53.2	70%	0.703	26%	0.26	S	S	*	.	H	α-helix	trans	-63.7	-38.6	178.1	-67.1	164	0	0	0	111.4	N344	N344-I348 WeakPolarHBondContact O-CG1 3.33Å; N344-I348 PolarHBondContact O-N 3.39Å
349	K	86.2	Confident	85.6	Confident	113 Å²	113	46.8 Å²	46.8	49%	0.491	24%	0.236	S	C	.	.	H	α-helix	trans	-72.8	-35	-180	-178.9	174.2	156	-160.3	0	112.9	S345 E346 V347	S345-K349 VanDerWaalsContact O-CB 3.25Å; S345-K349 WeakPolarHBondContact O-CB 3.44Å; S345-K349 PolarHBondContact O-N 3.21Å; S345-K349 VanDerWaalsContact O-N 3.16Å; E346-K349 PolarHBondContact O-N 2.94Å; E346-K349 IonicContact OE1-NZ 2.8Å; E346-K349 PolarHBondContact OE1-NZ 3.22Å; E346-K349 WeakPolarHBondContact OE2-CD 3.34Å; E346-K349 IonicContact OE2-NZ 3.94Å; E346-K349 PolarHBondContact OE2-NZ 3.02Å; V347-K349 VanDerWaalsContact C-N 3.32Å; V347-K349 PolarHBondContact O-N 2.92Å
350	N	85.2	Confident	85.9	Confident	67 Å²	67	44.9 Å²	44.9	36%	0.358	23%	0.229	S	C	.	.			trans	-132.2	63.1	-175.1	-55.6	-69.7	0	0	0	112.1	E346 V347 R352 L353	E346-N350 WeakPolarHBondContact O-CB 3.29Å; E346-N350 PolarHBondContact O-N 3.14Å; E346-N350 PolarHBondContact OE2-ND2 2.98Å; V347-N350 CarbonylContact O-C 3.57Å; V347-N350 PolarHBondContact O-N 3.24Å; N350-R352 PolarHBondContact O-N 3.47Å; N350-R352 VanDerWaalsContact O-N 3.09Å; N350-L353 HydrophobicContact CB-CD1 3.8Å; N350-L353 HydrophobicContact CB-CD2 4.46Å; N350-L353 HydrophobicContact CB-CG 3.78Å; N350-L353 WeakPolarHBondContact O-CG 3.37Å; N350-L353 PolarHBondContact O-N 3.07Å
351	P	83.6	Confident	86.1	Confident	58 Å²	58	43.2 Å²	43.2	38%	0.377	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.6	-173.6	27	-36.2	0	0	0	113.8	F311 V347 N357	F311-P351 HydrophobicContact CD1-CB 3.96Å; F311-P351 HydrophobicContact CE1-CB 3.97Å; V347-P351 WeakPolarHBondContact O-CA 3.44Å; V347-P351 VanDerWaalsContact O-N 3.15Å; P351-N357 PolarHBondContact O-ND2 3.14Å
352	R	84.1	Confident	86.2	Confident	181 Å²	181	43 Å²	43	68%	0.683	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	10.5	179	-65.9	-174.9	174.9	-155.9	-7.6	114.3	D305 N350	D305-R352 IonicContact OD1-NH1 3.09Å; D305-R352 IonicContact OD1-NH2 3.09Å; N350-R352 PolarHBondContact O-N 3.47Å; N350-R352 VanDerWaalsContact O-N 3.09Å
353	L	88.1	Confident	86.5	Confident	40 Å²	40	42.6 Å²	42.6	21%	0.209	22%	0.218	C	C	.	.			trans	-57.3	137.6	175.8	-77.3	166.4	0	0	0	111.2	L342 N350 C355 L356 N357	L342-L353 HydrophobicContact CD1-CD1 4.09Å; L342-L353 HydrophobicContact CD2-CD1 3.85Å; N350-L353 HydrophobicContact CB-CD1 3.8Å; N350-L353 HydrophobicContact CB-CD2 4.46Å; N350-L353 HydrophobicContact CB-CG 3.78Å; N350-L353 WeakPolarHBondContact O-CG 3.37Å; N350-L353 PolarHBondContact O-N 3.07Å; L353-C355 VanDerWaalsContact C-N 3.31Å; L353-C355 PolarHBondContact O-N 3.4Å; L353-L356 HydrophobicContact CB-CD1 4.07Å; L353-L356 HydrophobicContact CB-CG 4.3Å; L353-L356 WeakPolarHBondContact O-CB 3.45Å; L353-L356 PolarHBondContact O-N 3.16Å; L353-L356 VanDerWaalsContact O-N 3.11Å; L353-N357 PolarHBondContact O-N 3.22Å; L353-N357 PolarHBondContact O-ND2 3.28Å
354	P	90.8	Very high	86.9	Confident	16 Å²	16	40.1 Å²	40.1	10%	0.104	20%	0.201	C	C	.	.	H	α-helix	trans	-57	-39.4	-179.6	-31.1	37.3	0	0	0	115	F285 D286 V289 L356 N357 Y358	F285-P354 HydrophobicContact CD1-CB 4Å; F285-P354 HydrophobicContact CE1-CB 3.71Å; D286-P354 VanDerWaalsContact OD1-CD 3.29Å; D286-P354 WeakPolarHBondContact OD1-CD 3.03Å; V289-P354 HydrophobicContact CG1-CB 3.44Å; V289-P354 VanDerWaalsContact CG1-CB 3.44Å; V289-P354 HydrophobicContact CG1-CG 3.55Å; P354-L356 PolarHBondContact O-N 3.31Å; P354-N357 PolarHBondContact O-N 2.92Å; P354-Y358 HydrophobicContact CB-CD2 3.69Å; P354-Y358 HydrophobicContact CB-CE2 3.9Å; P354-Y358 HydrophobicContact CG-CE2 4.42Å; P354-Y358 WeakPolarHBondContact O-CB 3.28Å; P354-Y358 WeakPolarHBondContact O-CD2 3.33Å; P354-Y358 PolarHBondContact O-N 2.88Å
355	C	91.4	Very high	87.8	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-24.8	179.9	63.2	0	0	0	0	113.3	S219 V220 L221 R282 F285 D286 L353	S219-C355 WeakPolarHBondContact CB-O 3.48Å; S219-C355 PolarHBondContact OG-O 3.46Å; V220-C355 PolarHBondContact N-O 3.09Å; L221-C355 HydrophobicContact CB-CB 4.29Å; L221-C355 VanDerWaalsContact CB-O 3.26Å; L221-C355 WeakPolarHBondContact CB-O 3.35Å; L221-C355 PolarHBondContact N-O 3.15Å; R282-C355 HydrophobicContact CG-CB 3.59Å; R282-C355 VanDerWaalsContact CG-SG 3.51Å; F285-C355 HydrophobicContact CD1-CB 4.29Å; D286-C355 VanDerWaalsContact OD1-CB 3.26Å; D286-C355 WeakPolarHBondContact OD1-CB 3.18Å; D286-C355 PolarHBondContact OD1-N 3.16Å; D286-C355 PolarHBondContact OD1-SG 3.26Å; D286-C355 PolarHBondContact OD2-SG 3.31Å; L353-C355 VanDerWaalsContact C-N 3.31Å; L353-C355 PolarHBondContact O-N 3.4Å
356	L	87.9	Confident	88.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-79	-33.1	173.6	-68.7	171.3	0	0	0	112.8	S219 L221 F311 L342 V347 L353 P354	S219-L356 WeakPolarHBondContact CB-O 3.47Å; S219-L356 PolarHBondContact OG-O 2.86Å; L221-L356 HydrophobicContact CD2-CD2 3.51Å; L221-L356 HydrophobicContact CD2-CG 4.49Å; F311-L356 HydrophobicContact CB-CB 4.17Å; F311-L356 HydrophobicContact CD2-CD2 4.31Å; L342-L356 HydrophobicContact CD2-CD1 4.22Å; L342-L356 HydrophobicContact CD2-CD2 4.07Å; L342-L356 HydrophobicContact CD2-CG 4.07Å; V347-L356 HydrophobicContact CG1-CD1 3.9Å; V347-L356 HydrophobicContact CG1-CD2 4.04Å; V347-L356 HydrophobicContact CG2-CD2 4.33Å; L353-L356 HydrophobicContact CB-CD1 4.07Å; L353-L356 HydrophobicContact CB-CG 4.3Å; L353-L356 WeakPolarHBondContact O-CB 3.45Å; L353-L356 PolarHBondContact O-N 3.16Å; L353-L356 VanDerWaalsContact O-N 3.11Å; P354-L356 PolarHBondContact O-N 3.31Å
357	N	85.2	Confident	89	Confident	11 Å²	11	31.8 Å²	31.8	6%	0.059	15%	0.151	C	C	.	.	H	α-helix	trans	-111.9	-19.7	-164.2	-65.6	-78.9	0	0	0	114.5	F306 P351 L353 P354	F306-N357 HydrophobicContact CD1-CB 4.47Å; F306-N357 WeakPolarHBondContact CE1-O 3.48Å; P351-N357 PolarHBondContact O-ND2 3.14Å; L353-N357 PolarHBondContact O-N 3.22Å; L353-N357 PolarHBondContact O-ND2 3.28Å; P354-N357 PolarHBondContact O-N 2.92Å
358	Y	86.9	Confident	89.4	Confident	16 Å²	16	35 Å²	35	6%	0.063	17%	0.171	C	C	.	.	S	Bend	trans	-90.7	141	-179.4	-79.6	-101.6	0	0	0	112.8	S219 V220 F285 V289 N290 L294 F302 P354 Y362	S219-Y358 WeakPolarHBondContact CA-O 3.34Å; V220-Y358 PolarHBondContact N-O 3.33Å; F285-Y358 HydrophobicContact CE1-CD2 4.38Å; F285-Y358 HydrophobicContact CE1-CG 4.14Å; F285-Y358 HydrophobicContact CZ-CD1 4.49Å; F285-Y358 HydrophobicContact CZ-CG 4.03Å; V289-Y358 HydrophobicContact CG1-CE2 4.35Å; V289-Y358 HydrophobicContact CG2-CD1 3.93Å; V289-Y358 HydrophobicContact CG2-CE1 3.65Å; V289-Y358 HydrophobicContact CG2-CE2 4.31Å; V289-Y358 HydrophobicContact CG2-CG 4.36Å; N290-Y358 PolarHBondContact OD1-OH 3.38Å; L294-Y358 HydrophobicContact CD2-CE1 4.04Å; F302-Y358 HydrophobicContact CD1-CD1 4.42Å; F302-Y358 AromaticContact CD1-CE1 3.44Å; F302-Y358 HydrophobicContact CD1-CE1 3.44Å; F302-Y358 VanDerWaalsContact CD1-CE1 3.44Å; F302-Y358 HydrophobicContact CD1-CE2 4.42Å; F302-Y358 AromaticContact CD1-CZ 3.46Å; F302-Y358 VanDerWaalsContact CD1-CZ 3.46Å; F302-Y358 VanDerWaalsContact CD1-OH 3.23Å; F302-Y358 WeakPolarHBondContact CD1-OH 3.48Å; F302-Y358 AromaticContact CE1-CD1 3.76Å; F302-Y358 HydrophobicContact CE1-CD1 3.76Å; F302-Y358 AromaticContact CE1-CE1 3.17Å; F302-Y358 HydrophobicContact CE1-CE1 3.17Å; F302-Y358 HydrophobicContact CE1-CE2 4.49Å; F302-Y358 AromaticContact CE1-CZ 3.64Å; F302-Y358 HydrophobicContact CE2-CE1 4.36Å; F302-Y358 HydrophobicContact CG-CE1 4.13Å; F302-Y358 HydrophobicContact CZ-CD1 4.13Å; F302-Y358 AromaticContact CZ-CE1 3.7Å; F302-Y358 HydrophobicContact CZ-CE1 3.7Å; P354-Y358 HydrophobicContact CB-CD2 3.69Å; P354-Y358 HydrophobicContact CB-CE2 3.9Å; P354-Y358 HydrophobicContact CG-CE2 4.42Å; P354-Y358 WeakPolarHBondContact O-CB 3.28Å; P354-Y358 WeakPolarHBondContact O-CD2 3.33Å; P354-Y358 PolarHBondContact O-N 2.88Å; Y358-Y362 HydrophobicContact CD1-CD1 4.33Å; Y358-Y362 AromaticContact CD1-CD2 3.8Å; Y358-Y362 HydrophobicContact CD1-CD2 3.8Å; Y358-Y362 HydrophobicContact CD1-CE2 4.08Å; Y358-Y362 AromaticContact CD1-CG 3.95Å; Y358-Y362 HydrophobicContact CD1-CG 3.95Å
359	P	87.7	Confident	90	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.019	15%	0.148	C	C	.	.			trans	-62.7	156.3	171.6	-24.8	35.2	0	0	0	113.8	Y216 Y361 Y362	Y216-P359 HydrophobicContact CD1-CB 3.98Å; Y216-P359 HydrophobicContact CD1-CG 3.4Å; Y216-P359 VanDerWaalsContact CD1-CG 3.4Å; Y216-P359 HydrophobicContact CD2-CB 4.3Å; Y216-P359 HydrophobicContact CD2-CG 3.7Å; Y216-P359 HydrophobicContact CE1-CG 3.6Å; Y216-P359 HydrophobicContact CE2-CG 3.89Å; Y216-P359 HydrophobicContact CG-CB 3.8Å; Y216-P359 HydrophobicContact CG-CG 3.46Å; Y216-P359 VanDerWaalsContact CG-CG 3.46Å; P359-Y361 HydrophobicContact CB-CD2 3.94Å; P359-Y361 PolarHBondContact O-N 3.34Å; P359-Y361 VanDerWaalsContact O-N 3.08Å; P359-Y362 HydrophobicContact CB-CD2 4.45Å; P359-Y362 HydrophobicContact CG-CE2 4.42Å; P359-Y362 PolarHBondContact O-N 3.47Å
360	P	90.2	Very high	90.4	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-12.9	-178.8	28.6	-37.9	0	0	0	114.8	C218 V223 Y362 L363 L364 F406	C218-P360 VanDerWaalsContact O-CD 3.28Å; C218-P360 WeakPolarHBondContact O-CD 3.45Å; V223-P360 HydrophobicContact CG2-CB 3.81Å; V223-P360 HydrophobicContact CG2-CG 4.29Å; P360-Y362 PolarHBondContact O-N 2.91Å; P360-L363 VanDerWaalsContact O-CB 3.3Å; P360-L363 WeakPolarHBondContact O-CB 3.46Å; P360-L363 PolarHBondContact O-N 3.34Å; P360-L364 PolarHBondContact O-N 3.25Å; P360-F406 HydrophobicContact CB-CE1 3.76Å; P360-F406 HydrophobicContact CB-CZ 4.29Å; P360-F406 HydrophobicContact CG-CD1 4.27Å; P360-F406 HydrophobicContact CG-CE1 3.91Å
361	Y	90.8	Very high	90.7	Very high	3 Å²	3	24.4 Å²	24.4	1%	0.012	12%	0.123	C	C	.	.	H	α-helix	trans	-58.6	-34.7	173.3	-61.3	-80.6	0	0	0	112.3	I196 H200 F214 P359 L363 L364 F406	I196-Y361 HydrophobicContact CG2-CD1 4.11Å; I196-Y361 HydrophobicContact CG2-CE1 3.91Å; H200-Y361 HydrophobicContact CB-CD1 4.1Å; H200-Y361 WeakPolarHBondContact CD2-CB 3.41Å; H200-Y361 AromaticContact CD2-CD1 3.73Å; H200-Y361 AromaticContact CD2-CD2 3.87Å; H200-Y361 AromaticContact CD2-CG 3.38Å; H200-Y361 AromaticContact CG-CG 3.98Å; H200-Y361 WeakPolarHBondContact NE2-CB 3.24Å; H200-Y361 AromaticContact NE2-CG 3.82Å; F214-Y361 HydrophobicContact CB-CE2 4.11Å; F214-Y361 HydrophobicContact CD1-CD1 4.26Å; F214-Y361 AromaticContact CD1-CE1 3.75Å; F214-Y361 HydrophobicContact CD1-CE1 3.75Å; F214-Y361 HydrophobicContact CD1-CE2 4.08Å; F214-Y361 AromaticContact CD1-CZ 3.67Å; F214-Y361 HydrophobicContact CE1-CE1 4.23Å; P359-Y361 HydrophobicContact CB-CD2 3.94Å; P359-Y361 PolarHBondContact O-N 3.34Å; P359-Y361 VanDerWaalsContact O-N 3.08Å; Y361-L363 VanDerWaalsContact C-N 3.31Å; Y361-L363 PolarHBondContact O-N 2.9Å; Y361-L364 WeakPolarHBondContact O-CB 3.28Å; Y361-L364 PolarHBondContact O-N 3.41Å; Y361-F406 AromaticContact CD1-CD1 3.76Å; Y361-F406 HydrophobicContact CD1-CD1 3.76Å; Y361-F406 HydrophobicContact CD1-CE1 4.35Å; Y361-F406 HydrophobicContact CE1-CB 3.94Å; Y361-F406 AromaticContact CE1-CD1 3.61Å; Y361-F406 HydrophobicContact CE1-CD1 3.61Å; Y361-F406 HydrophobicContact CE1-CG 4.2Å; Y361-F406 HydrophobicContact CG-CD1 4.29Å
362	Y	92.3	Very high	91	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-71.6	-25.2	176	-64.4	-86	0	0	0	112.4	H200 L294 E298 F302 Y358 P359 P360 L364 R365 L366	H200-Y362 AromaticContact CE1-CE2 3.91Å; H200-Y362 AromaticContact CE1-CZ 3.69Å; L294-Y362 HydrophobicContact CD2-CD1 4.19Å; L294-Y362 HydrophobicContact CD2-CE1 3.67Å; E298-Y362 PolarHBondContact OE1-OH 2.98Å; F302-Y362 WeakPolarHBondContact CE2-OH 3.46Å; F302-Y362 HydrophobicContact CZ-CE2 4.17Å; F302-Y362 AromaticContact CZ-CZ 3.92Å; Y358-Y362 HydrophobicContact CD1-CD1 4.33Å; Y358-Y362 AromaticContact CD1-CD2 3.8Å; Y358-Y362 HydrophobicContact CD1-CD2 3.8Å; Y358-Y362 HydrophobicContact CD1-CE2 4.08Å; Y358-Y362 AromaticContact CD1-CG 3.95Å; Y358-Y362 HydrophobicContact CD1-CG 3.95Å; P359-Y362 HydrophobicContact CB-CD2 4.45Å; P359-Y362 HydrophobicContact CG-CE2 4.42Å; P359-Y362 PolarHBondContact O-N 3.47Å; P360-Y362 PolarHBondContact O-N 2.91Å; Y362-L364 VanDerWaalsContact C-N 3.33Å; Y362-R365 VanDerWaalsContact CE1-NH1 3.33Å; Y362-R365 WeakPolarHBondContact O-CB 3.25Å; Y362-R365 PolarHBondContact O-N 2.88Å; Y362-L366 PolarHBondContact O-N 3.47Å; Y362-L366 VanDerWaalsContact O-N 3.12Å
363	L	94.6	Very high	91.3	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-67.4	-33.4	172.4	-176.2	62.8	0	0	0	111.7	V220 L224 P360 Y361 R365 L366 I367 F394	V220-L363 HydrophobicContact CG1-CB 4.37Å; V220-L363 HydrophobicContact CG1-CD1 4.08Å; V220-L363 HydrophobicContact CG1-CD2 4.26Å; V220-L363 HydrophobicContact CG1-CG 4.48Å; V220-L363 HydrophobicContact CG2-CB 4.07Å; L224-L363 HydrophobicContact CD2-CD2 4.28Å; L224-L363 HydrophobicContact CG-CD2 4.37Å; P360-L363 VanDerWaalsContact O-CB 3.3Å; P360-L363 WeakPolarHBondContact O-CB 3.46Å; P360-L363 PolarHBondContact O-N 3.34Å; Y361-L363 VanDerWaalsContact C-N 3.31Å; Y361-L363 PolarHBondContact O-N 2.9Å; L363-R365 VanDerWaalsContact C-N 3.29Å; L363-R365 PolarHBondContact O-N 3.3Å; L363-L366 HydrophobicContact CD1-CB 4.49Å; L363-L366 HydrophobicContact CD1-CD2 4.11Å; L363-L366 WeakPolarHBondContact O-CB 3.42Å; L363-L366 PolarHBondContact O-N 2.89Å; L363-I367 HydrophobicContact CG-CD1 4.46Å; L363-I367 WeakPolarHBondContact O-CG1 3.2Å; L363-I367 PolarHBondContact O-N 3.23Å; L363-F394 HydrophobicContact CD2-CE1 3.91Å; L363-F394 HydrophobicContact CD2-CZ 3.72Å; L363-F394 HydrophobicContact CG-CE1 4.49Å
364	L	95.3	Very high	91.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.5	-35.5	172.8	-58.5	-176.9	0	0	0	111.7	L189 L193 I196 L197 P360 Y361 Y362 I367 T368 L398 F406	L189-L364 HydrophobicContact CD1-CD2 4.39Å; L193-L364 HydrophobicContact CD1-CD2 4.28Å; L193-L364 HydrophobicContact CD2-CD2 4.35Å; I196-L364 HydrophobicContact CG2-CD1 3.97Å; L197-L364 HydrophobicContact CB-CB 4.27Å; L197-L364 HydrophobicContact CB-CD1 4.21Å; L197-L364 HydrophobicContact CD1-CB 4.16Å; L197-L364 HydrophobicContact CD2-CB 4.33Å; L197-L364 HydrophobicContact CG-CB 4.48Å; P360-L364 PolarHBondContact O-N 3.25Å; Y361-L364 WeakPolarHBondContact O-CB 3.28Å; Y361-L364 PolarHBondContact O-N 3.41Å; Y362-L364 VanDerWaalsContact C-N 3.33Å; L364-I367 HydrophobicContact CD2-CD1 4.37Å; L364-I367 PolarHBondContact O-N 2.98Å; L364-T368 PolarHBondContact O-N 2.89Å; L364-L398 HydrophobicContact CD2-CD1 4.22Å; L364-F406 HydrophobicContact CD1-CD1 4.43Å; L364-F406 HydrophobicContact CD1-CE1 3.88Å; L364-F406 HydrophobicContact CD1-CE2 4.36Å; L364-F406 HydrophobicContact CD1-CZ 3.85Å; L364-F406 HydrophobicContact CD2-CE1 4.49Å; L364-F406 HydrophobicContact CD2-CE2 4.36Å; L364-F406 HydrophobicContact CD2-CZ 3.8Å; L364-F406 HydrophobicContact CG-CE1 4.07Å; L364-F406 HydrophobicContact CG-CZ 3.88Å
365	R	94.4	Very high	91.4	Very high	14 Å²	14	22 Å²	22	5%	0.053	12%	0.122	C	C	.	.	H	α-helix	trans	-66.1	-43.2	172.8	-66.3	-176.1	-175.2	164.7	6.2	112.1	L197 H200 S204 L293 E298 Y362 L363 I367 T368 I369	L197-R365 HydrophobicContact CD1-CG 3.52Å; H200-R365 PolarHBondContact CE1-NH2 3.21Å; H200-R365 PolarHBondContact ND1-NH2 2.83Å; H200-R365 VanDerWaalsContact ND1-NH2 3.2Å; S204-R365 PolarHBondContact OG-NH2 2.99Å; L293-R365 HydrophobicContact CB-CB 4.44Å; L293-R365 HydrophobicContact CD2-CB 4.19Å; L293-R365 VanDerWaalsContact O-CD 3.27Å; L293-R365 WeakPolarHBondContact O-CD 3.47Å; L293-R365 PolarHBondContact O-NH1 3.32Å; E298-R365 VanDerWaalsContact CD-NH1 3.34Å; E298-R365 IonicContact OE1-CZ 3.3Å; E298-R365 IonicContact OE1-NH1 2.67Å; E298-R365 PolarHBondContact OE1-NH1 3.15Å; E298-R365 IonicContact OE1-NH2 3.26Å; E298-R365 PolarHBondContact OE1-NH2 2.85Å; E298-R365 IonicContact OE2-CZ 3.95Å; E298-R365 IonicContact OE2-NH1 3.12Å; E298-R365 PolarHBondContact OE2-NH1 2.71Å; E298-R365 IonicContact OE2-NH2 3.3Å; Y362-R365 VanDerWaalsContact CE1-NH1 3.33Å; Y362-R365 WeakPolarHBondContact O-CB 3.25Å; Y362-R365 PolarHBondContact O-N 2.88Å; L363-R365 VanDerWaalsContact C-N 3.29Å; L363-R365 PolarHBondContact O-N 3.3Å; R365-I367 VanDerWaalsContact C-N 3.29Å; R365-I367 PolarHBondContact O-N 2.8Å; R365-T368 PolarHBondContact O-N 3.08Å; R365-T368 VanDerWaalsContact O-N 3.14Å; R365-T368 PolarHBondContact O-OG1 2.94Å; R365-I369 PolarHBondContact O-N 3.05Å
366	L	95.5	Very high	91.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-55.2	-48	173.1	178.9	59.2	0	0	0	110.5	L281 L284 F285 L293 Y362 L363 T368 I369 L370 L373	L281-L366 HydrophobicContact CD2-CD2 4.39Å; L284-L366 HydrophobicContact CB-CD1 4.48Å; L284-L366 HydrophobicContact CB-CD2 4.33Å; F285-L366 HydrophobicContact CB-CD2 3.89Å; F285-L366 HydrophobicContact CD2-CB 4.45Å; F285-L366 HydrophobicContact CD2-CD2 4.24Å; L293-L366 HydrophobicContact CD1-CB 3.91Å; Y362-L366 PolarHBondContact O-N 3.47Å; Y362-L366 VanDerWaalsContact O-N 3.12Å; L363-L366 HydrophobicContact CD1-CB 4.49Å; L363-L366 HydrophobicContact CD1-CD2 4.11Å; L363-L366 WeakPolarHBondContact O-CB 3.42Å; L363-L366 PolarHBondContact O-N 2.89Å; L366-T368 VanDerWaalsContact C-N 3.25Å; L366-T368 PolarHBondContact O-N 3.04Å; L366-I369 HydrophobicContact CD1-CD1 4.17Å; L366-I369 HydrophobicContact CD1-CG1 4.08Å; L366-I369 WeakPolarHBondContact O-CG1 3.4Å; L366-I369 PolarHBondContact O-N 3.47Å; L366-L370 HydrophobicContact CD1-CD2 4.15Å; L366-L370 HydrophobicContact CG-CD2 4.17Å; L366-L370 HydrophobicContact CG-CG 4.39Å; L366-L370 WeakPolarHBondContact O-CG 3.35Å; L366-L370 PolarHBondContact O-N 3.08Å; L366-L373 HydrophobicContact CD1-CD1 4.16Å
367	I	95.5	Very high	91.4	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-55.5	-38.9	178.9	-69.8	163.8	0	0	0	112	L189 L363 L364 R365 I369 L370 F394 I395 L398	L189-I367 HydrophobicContact CD1-CG2 4.06Å; L363-I367 HydrophobicContact CG-CD1 4.46Å; L363-I367 WeakPolarHBondContact O-CG1 3.2Å; L363-I367 PolarHBondContact O-N 3.23Å; L364-I367 HydrophobicContact CD2-CD1 4.37Å; L364-I367 PolarHBondContact O-N 2.98Å; R365-I367 VanDerWaalsContact C-N 3.29Å; R365-I367 PolarHBondContact O-N 2.8Å; I367-I369 VanDerWaalsContact C-N 3.29Å; I367-I369 PolarHBondContact O-N 2.84Å; I367-L370 HydrophobicContact CG1-CD1 4.2Å; I367-L370 PolarHBondContact O-N 3.39Å; I367-F394 HydrophobicContact CD1-CE1 4.3Å; I367-I395 HydrophobicContact CD1-CG1 4.29Å; I367-I395 HydrophobicContact CG2-CD1 3.76Å; I367-I395 HydrophobicContact CG2-CG1 3.97Å; I367-L398 HydrophobicContact CD1-CD1 3.61Å
368	T	93.2	Very high	91.5	Very high	70 Å²	70	38.2 Å²	38.2	43%	0.429	22%	0.217	S	C	.	.	H	α-helix	trans	-67.6	-22.8	177.4	58.9	0	0	0	0	114.9	L189 L197 L364 R365 L366	L189-T368 HydrophobicContact CD2-CG2 4.21Å; L197-T368 HydrophobicContact CD2-CG2 3.58Å; L364-T368 PolarHBondContact O-N 2.89Å; R365-T368 PolarHBondContact O-N 3.08Å; R365-T368 VanDerWaalsContact O-N 3.14Å; R365-T368 PolarHBondContact O-OG1 2.94Å; L366-T368 VanDerWaalsContact C-N 3.25Å; L366-T368 PolarHBondContact O-N 3.04Å
369	I	92	Very high	91.7	Very high	44 Å²	44	39.7 Å²	39.7	23%	0.226	23%	0.226	C	C	.	.	H	α-helix	trans	-99.1	-11.5	176.5	68.2	162.5	0	0	0	113.6	L293 R365 L366 I367 P371 T372 L373	L293-I369 HydrophobicContact CD2-CD1 3.58Å; L293-I369 HydrophobicContact CD2-CG1 4.09Å; R365-I369 PolarHBondContact O-N 3.05Å; L366-I369 HydrophobicContact CD1-CD1 4.17Å; L366-I369 HydrophobicContact CD1-CG1 4.08Å; L366-I369 WeakPolarHBondContact O-CG1 3.4Å; L366-I369 PolarHBondContact O-N 3.47Å; I367-I369 VanDerWaalsContact C-N 3.29Å; I367-I369 PolarHBondContact O-N 2.84Å; I369-P371 VanDerWaalsContact C-CD 3.42Å; I369-T372 PolarHBondContact O-N 3.44Å; I369-L373 HydrophobicContact CD1-CD1 3.79Å; I369-L373 HydrophobicContact CD1-CG 4.34Å; I369-L373 HydrophobicContact CG1-CD1 3.96Å; I369-L373 HydrophobicContact CG1-CG 4.45Å; I369-L373 PolarHBondContact O-N 3.46Å; I369-L373 VanDerWaalsContact O-N 3.09Å
370	L	93.4	Very high	92	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-52.9	-41.6	180	-75.9	179.3	0	0	0	114.3	L281 L284 L366 I367 T372 L373 L374 L391	L281-L370 HydrophobicContact CD2-CD1 3.66Å; L281-L370 HydrophobicContact CD2-CD2 3.91Å; L281-L370 HydrophobicContact CD2-CG 4.41Å; L284-L370 HydrophobicContact CD1-CD2 4.24Å; L366-L370 HydrophobicContact CD1-CD2 4.15Å; L366-L370 HydrophobicContact CG-CD2 4.17Å; L366-L370 HydrophobicContact CG-CG 4.39Å; L366-L370 WeakPolarHBondContact O-CG 3.35Å; L366-L370 PolarHBondContact O-N 3.08Å; I367-L370 HydrophobicContact CG1-CD1 4.2Å; I367-L370 PolarHBondContact O-N 3.39Å; L370-T372 PolarHBondContact O-N 3.08Å; L370-L373 HydrophobicContact CD2-CD1 4.49Å; L370-L373 PolarHBondContact O-N 3.46Å; L370-L374 WeakPolarHBondContact O-CB 3.36Å; L370-L374 VanDerWaalsContact O-CG 3.25Å; L370-L374 WeakPolarHBondContact O-CG 3.24Å; L370-L374 PolarHBondContact O-N 3.31Å; L370-L391 HydrophobicContact CD1-CD1 4.15Å; L370-L391 HydrophobicContact CD1-CD2 4Å
371	P	91.3	Very high	92	Very high	43 Å²	43	41.2 Å²	41.2	28%	0.279	24%	0.237	S	C	.	.	H	α-helix	trans	-56.1	-49	178.1	-25.2	34.7	0	0	0	112.1	L187 I369 L373 L374 D375	L187-P371 HydrophobicContact CB-CG 4.17Å; I369-P371 VanDerWaalsContact C-CD 3.42Å; P371-L373 PolarHBondContact O-N 3.42Å; P371-L374 PolarHBondContact O-N 3Å; P371-D375 PolarHBondContact O-N 3.25Å
372	T	90.9	Very high	92.2	Very high	76 Å²	76	41.8 Å²	41.8	47%	0.466	24%	0.241	S	C	.	.	H	α-helix	trans	-64.5	-38.8	179	-45.9	0	0	0	0	112.3	I369 L370 G376 L501	I369-T372 PolarHBondContact O-N 3.44Å; L370-T372 PolarHBondContact O-N 3.08Å; T372-G376 PolarHBondContact O-N 3.22Å; T372-L501 HydrophobicContact CG2-CD1 4.23Å; T372-L501 HydrophobicContact CG2-CD2 4.29Å
373	L	90.5	Very high	92.3	Very high	41 Å²	41	46.9 Å²	46.9	22%	0.215	26%	0.26	C	S	.	.	H	α-helix	trans	-65.5	-43	175.6	-67.6	177.6	0	0	0	111.7	L366 I369 L370 P371 G376 M377	L366-L373 HydrophobicContact CD1-CD1 4.16Å; I369-L373 HydrophobicContact CD1-CD1 3.79Å; I369-L373 HydrophobicContact CD1-CG 4.34Å; I369-L373 HydrophobicContact CG1-CD1 3.96Å; I369-L373 HydrophobicContact CG1-CG 4.45Å; I369-L373 PolarHBondContact O-N 3.46Å; I369-L373 VanDerWaalsContact O-N 3.09Å; L370-L373 HydrophobicContact CD2-CD1 4.49Å; L370-L373 PolarHBondContact O-N 3.46Å; P371-L373 PolarHBondContact O-N 3.42Å; L373-G376 PolarHBondContact O-N 3.28Å; L373-M377 WeakPolarHBondContact O-CG 3.48Å
374	L	91.7	Very high	92.3	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.058	27%	0.266	C	S	.	.	H	α-helix	trans	-67.7	-34.3	178.9	-70.6	169.1	0	0	0	112.1	L187 L370 P371 G376 M377 L379 R384 I387 L391	L187-L374 HydrophobicContact CD1-CD1 3.64Å; L370-L374 WeakPolarHBondContact O-CB 3.36Å; L370-L374 VanDerWaalsContact O-CG 3.25Å; L370-L374 WeakPolarHBondContact O-CG 3.24Å; L370-L374 PolarHBondContact O-N 3.31Å; P371-L374 PolarHBondContact O-N 3Å; L374-G376 VanDerWaalsContact C-N 3.28Å; L374-G376 PolarHBondContact O-N 3.08Å; L374-M377 HydrophobicContact CD2-SD 4.1Å; L374-M377 WeakPolarHBondContact O-CB 3.39Å; L374-M377 PolarHBondContact O-N 3.23Å; L374-M377 VanDerWaalsContact O-N 3.08Å; L374-L379 HydrophobicContact CD2-CD1 4.05Å; L374-R384 VanDerWaalsContact C-NH1 3.32Å; L374-R384 PolarHBondContact O-NH1 3.35Å; L374-R384 PolarHBondContact O-NH2 3.12Å; L374-I387 HydrophobicContact CD1-CG2 4.39Å; L374-I387 HydrophobicContact CD2-CG2 3.99Å; L374-L391 HydrophobicContact CD1-CD1 3.78Å
375	D	89.1	Confident	92.3	Very high	117 Å²	117	48.3 Å²	48.3	63%	0.626	27%	0.266	S	S	*	.	H	α-helix	trans	-67.5	-27.8	174.9	-73.4	-14.2	0	0	0	112.9	P371 M377 R384	P371-D375 PolarHBondContact O-N 3.25Å; D375-M377 VanDerWaalsContact C-N 3.28Å; D375-M377 PolarHBondContact O-N 2.63Å; D375-R384 IonicContact OD1-CZ 2.83Å; D375-R384 IonicContact OD1-NH1 3.71Å; D375-R384 PolarHBondContact OD1-NH1 3.48Å
376	G	89	Confident	92.4	Very high	69 Å²	69	49 Å²	49	71%	0.711	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.9	168.6	0	0	0	0	0	114.9	T372 L373 L374	T372-G376 PolarHBondContact O-N 3.22Å; L373-G376 PolarHBondContact O-N 3.28Å; L374-G376 VanDerWaalsContact C-N 3.28Å; L374-G376 PolarHBondContact O-N 3.08Å
377	M	88.8	Confident	92.4	Very high	74 Å²	74	50.9 Å²	50.9	37%	0.365	28%	0.28	S	S	.	.	S	Bend	trans	-93.3	135.7	-177.1	-64.5	177.9	-172.9	0	0	112.8	L284 L373 L374 D375 L379 R384	L284-M377 HydrophobicContact CD2-CE 4.33Å; L373-M377 WeakPolarHBondContact O-CG 3.48Å; L374-M377 HydrophobicContact CD2-SD 4.1Å; L374-M377 WeakPolarHBondContact O-CB 3.39Å; L374-M377 PolarHBondContact O-N 3.23Å; L374-M377 VanDerWaalsContact O-N 3.08Å; D375-M377 VanDerWaalsContact C-N 3.28Å; D375-M377 PolarHBondContact O-N 2.63Å; M377-L379 HydrophobicContact CB-CD1 4.11Å; M377-L379 HydrophobicContact CB-CG 3.92Å; M377-L379 PolarHBondContact O-N 2.89Å; M377-R384 PolarHBondContact O-NH2 3.14Å
378	Q	88.8	Confident	92.3	Very high	208 Å²	208	51.5 Å²	51.5	97%	0.972	28%	0.283	S	S	*	.			trans	-76.1	68	176.4	-61.7	-174	27.3	0	0	112.1
379	L	90.7	Very high	92.4	Very high	48 Å²	48	48.2 Å²	48.2	25%	0.251	26%	0.262	S	S	.	.			trans	-96	134.7	178.7	-61.8	172.3	0	0	0	111.6	L374 M377 R384 I387	L374-L379 HydrophobicContact CD2-CD1 4.05Å; M377-L379 HydrophobicContact CB-CD1 4.11Å; M377-L379 HydrophobicContact CB-CG 3.92Å; M377-L379 PolarHBondContact O-N 2.89Å; L379-R384 HydrophobicContact CB-CB 4.24Å; L379-I387 HydrophobicContact CD1-CD1 3.86Å; L379-I387 HydrophobicContact CD2-CD1 4.13Å
380	T	93.3	Very high	92.6	Very high	19 Å²	19	46.2 Å²	46.2	12%	0.117	25%	0.252	C	S	.	.			trans	-61.8	154.2	168.1	58.2	0	0	0	0	110.7	L172 E175 Q176 C382 R383 R384	L172-T380 HydrophobicContact CD2-CG2 4.13Å; E175-T380 HydrophobicContact CB-CG2 4.07Å; E175-T380 PolarHBondContact OE2-OG1 3.12Å; Q176-T380 HydrophobicContact CG-CG2 4.09Å; T380-C382 VanDerWaalsContact C-N 3.25Å; T380-C382 PolarHBondContact O-N 3.41Å; T380-R383 PolarHBondContact O-N 3.26Å; T380-R383 VanDerWaalsContact O-N 3.16Å; T380-R383 WeakPolarHBondContact OG1-CB 3.46Å; T380-R383 WeakPolarHBondContact OG1-CD 3.47Å; T380-R383 VanDerWaalsContact OG1-CG 3.22Å; T380-R383 WeakPolarHBondContact OG1-CG 3.43Å; T380-R383 PolarHBondContact OG1-N 2.72Å; T380-R384 WeakPolarHBondContact O-CB 3.4Å; T380-R384 PolarHBondContact O-N 3.15Å
381	A	91.8	Very high	92.7	Very high	16 Å²	16	46.2 Å²	46.2	13%	0.132	25%	0.252	C	S	.	.	H	α-helix	trans	-58.9	-37.7	-176.6	0	0	0	0	0	112.2	E175 H180 A385	E175-A381 PolarHBondContact O-N 3.43Å; H180-A381 HydrophobicContact CB-CB 4.04Å; A381-A385 WeakPolarHBondContact O-CB 3.38Å; A381-A385 PolarHBondContact O-N 3.08Å
382	C	94.8	Very high	92.9	Very high	15 Å²	15	46.7 Å²	46.7	10%	0.101	25%	0.249	C	C	.	.	H	α-helix	trans	-61.5	-54.2	172.5	-174.6	0	0	0	0	112.6	E175 H180 T380 R384 A385 I386	E175-C382 HydrophobicContact CB-CB 3.81Å; E175-C382 HydrophobicContact CG-CB 3.94Å; E175-C382 WeakPolarHBondContact O-CB 3.42Å; E175-C382 PolarHBondContact O-N 3.45Å; H180-C382 HydrophobicContact CB-CB 4.47Å; T380-C382 VanDerWaalsContact C-N 3.25Å; T380-C382 PolarHBondContact O-N 3.41Å; C382-R384 VanDerWaalsContact C-N 3.3Å; C382-R384 PolarHBondContact O-N 3.22Å; C382-A385 PolarHBondContact O-N 3.1Å; C382-A385 VanDerWaalsContact O-N 3.15Å; C382-I386 WeakPolarHBondContact O-CG1 3.25Å; C382-I386 PolarHBondContact O-N 2.97Å
383	R	94.7	Very high	93.1	Very high	110 Å²	110	43.9 Å²	43.9	42%	0.415	23%	0.23	S	C	.	.	H	α-helix	trans	-59.7	-41.6	-179.9	-71.1	177.2	-162.2	-167.6	3.5	111.6	E175 T380 I386 I387	E175-R383 IonicContact OE1-CZ 3.45Å; E175-R383 IonicContact OE1-NE 2.77Å; E175-R383 PolarHBondContact OE1-NE 3.14Å; E175-R383 IonicContact OE1-NH2 3.52Å; E175-R383 PolarHBondContact OE1-NH2 3.14Å; E175-R383 IonicContact OE2-CZ 2.69Å; E175-R383 VanDerWaalsContact OE2-CZ 3.26Å; E175-R383 IonicContact OE2-NE 3.53Å; E175-R383 PolarHBondContact OE2-NE 3.35Å; E175-R383 IonicContact OE2-NH2 3.86Å; E175-R383 PolarHBondContact OE2-NH2 3.38Å; E175-R383 VanDerWaalsContact OE2-NH2 3.12Å; T380-R383 PolarHBondContact O-N 3.26Å; T380-R383 VanDerWaalsContact O-N 3.16Å; T380-R383 WeakPolarHBondContact OG1-CB 3.46Å; T380-R383 WeakPolarHBondContact OG1-CD 3.47Å; T380-R383 VanDerWaalsContact OG1-CG 3.22Å; T380-R383 WeakPolarHBondContact OG1-CG 3.43Å; T380-R383 PolarHBondContact OG1-N 2.72Å; R383-I386 PolarHBondContact O-N 2.74Å; R383-I387 WeakPolarHBondContact O-CB 3.43Å; R383-I387 VanDerWaalsContact O-CG1 3.31Å; R383-I387 WeakPolarHBondContact O-CG1 3.45Å; R383-I387 PolarHBondContact O-N 3.37Å
384	R	94.6	Very high	93.3	Very high	31 Å²	31	42 Å²	42	12%	0.117	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-45.4	175.9	-170.9	177.4	-69.1	-90.9	-6.6	111.6	M184 L374 D375 M377 L379 T380 C382 I387 H388	M184-R384 VanDerWaalsContact CE-CD 3.44Å; M184-R384 HydrophobicContact CE-CG 3.76Å; M184-R384 HydrophobicContact SD-CG 4.07Å; L374-R384 VanDerWaalsContact C-NH1 3.32Å; L374-R384 PolarHBondContact O-NH1 3.35Å; L374-R384 PolarHBondContact O-NH2 3.12Å; D375-R384 IonicContact OD1-CZ 2.83Å; D375-R384 IonicContact OD1-NH1 3.71Å; D375-R384 PolarHBondContact OD1-NH1 3.48Å; M377-R384 PolarHBondContact O-NH2 3.14Å; L379-R384 HydrophobicContact CB-CB 4.24Å; T380-R384 WeakPolarHBondContact O-CB 3.4Å; T380-R384 PolarHBondContact O-N 3.15Å; C382-R384 VanDerWaalsContact C-N 3.3Å; C382-R384 PolarHBondContact O-N 3.22Å; R384-I387 PolarHBondContact O-N 3.35Å; R384-H388 WeakPolarHBondContact O-CB 3.3Å; R384-H388 PolarHBondContact O-CD2 3.27Å; R384-H388 PolarHBondContact O-N 2.97Å
385	A	94.4	Very high	93.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60	-46.4	175.2	0	0	0	0	0	112.5	M184 F264 A381 C382 H388 R389	M184-A385 HydrophobicContact CG-CB 3.78Å; F264-A385 HydrophobicContact CE1-CB 3.75Å; F264-A385 HydrophobicContact CZ-CB 3.89Å; A381-A385 WeakPolarHBondContact O-CB 3.38Å; A381-A385 PolarHBondContact O-N 3.08Å; C382-A385 PolarHBondContact O-N 3.1Å; C382-A385 VanDerWaalsContact O-N 3.15Å; A385-H388 PolarHBondContact O-N 3.22Å; A385-R389 VanDerWaalsContact O-CG 3.25Å; A385-R389 WeakPolarHBondContact O-CG 3.48Å; A385-R389 PolarHBondContact O-N 3.45Å
386	I	95.5	Very high	93.7	Very high	28 Å²	28	37.9 Å²	37.9	14%	0.144	20%	0.197	C	C	.	.	H	α-helix	trans	-59.3	-50.4	177	-65.2	167	0	0	0	110.8	F264 T267 I273 C382 R383 H388 R389 H390	F264-I386 HydrophobicContact CD1-CG1 4.33Å; F264-I386 HydrophobicContact CE1-CG1 3.97Å; T267-I386 HydrophobicContact CG2-CD1 3.99Å; T267-I386 HydrophobicContact CG2-CG1 4.22Å; I273-I386 HydrophobicContact CD1-CG2 4.43Å; I273-I386 HydrophobicContact CG2-CG2 3.84Å; C382-I386 WeakPolarHBondContact O-CG1 3.25Å; C382-I386 PolarHBondContact O-N 2.97Å; R383-I386 PolarHBondContact O-N 2.74Å; I386-H388 PolarHBondContact O-N 3.34Å; I386-R389 PolarHBondContact O-N 2.86Å; I386-H390 PolarHBondContact O-CD2 3.12Å; I386-H390 VanDerWaalsContact O-CD2 3.31Å; I386-H390 PolarHBondContact O-N 3.39Å
387	I	95.9	Very high	94	Very high	39 Å²	39	35 Å²	35	20%	0.2	17%	0.165	C	C	.	.	H	α-helix	trans	-60.1	-45.8	179.9	-70.4	163.4	0	0	0	111	L374 L379 R383 R384 R389 H390 L391	L374-I387 HydrophobicContact CD1-CG2 4.39Å; L374-I387 HydrophobicContact CD2-CG2 3.99Å; L379-I387 HydrophobicContact CD1-CD1 3.86Å; L379-I387 HydrophobicContact CD2-CD1 4.13Å; R383-I387 WeakPolarHBondContact O-CB 3.43Å; R383-I387 VanDerWaalsContact O-CG1 3.31Å; R383-I387 WeakPolarHBondContact O-CG1 3.45Å; R383-I387 PolarHBondContact O-N 3.37Å; R384-I387 PolarHBondContact O-N 3.35Å; I387-R389 VanDerWaalsContact C-N 3.31Å; I387-R389 PolarHBondContact O-N 3.45Å; I387-H390 PolarHBondContact O-N 3.37Å; I387-L391 HydrophobicContact CG2-CD1 3.76Å; I387-L391 HydrophobicContact CG2-CG 4.25Å; I387-L391 WeakPolarHBondContact O-CB 3.41Å; I387-L391 VanDerWaalsContact O-CG 3.3Å; I387-L391 WeakPolarHBondContact O-CG 3.28Å; I387-L391 PolarHBondContact O-N 2.7Å
388	H	94.8	Very high	94.3	Very high	17 Å²	17	31.5 Å²	31.5	8%	0.079	15%	0.148	C	C	.	.	H	α-helix	trans	-58.9	-40.6	177.2	-83.7	-123.9	0	0	0	112.3	V185 L187 R384 A385 I386 Y392	V185-H388 PolarHBondContact O-ND1 2.9Å; L187-H388 HydrophobicContact CD2-CB 4.46Å; L187-H388 WeakPolarHBondContact CD2-O 3.34Å; R384-H388 WeakPolarHBondContact O-CB 3.3Å; R384-H388 PolarHBondContact O-CD2 3.27Å; R384-H388 PolarHBondContact O-N 2.97Å; A385-H388 PolarHBondContact O-N 3.22Å; I386-H388 PolarHBondContact O-N 3.34Å; H388-Y392 VanDerWaalsContact O-CB 3.28Å; H388-Y392 WeakPolarHBondContact O-CB 3.5Å; H388-Y392 PolarHBondContact O-N 3.42Å
389	R	94.7	Very high	94.5	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	11%	0.112	C	C	.	.	H	α-helix	trans	-66.6	-43.5	178.1	-67.1	169.5	79	87.5	-3.1	112.3	V185 I238 D268 A385 I386 I387 Y392 M393	V185-R389 HydrophobicContact CG2-CG 3.93Å; I238-R389 HydrophobicContact CD1-CB 4.05Å; I238-R389 HydrophobicContact CD1-CG 4.41Å; I238-R389 HydrophobicContact CG2-CG 4.45Å; D268-R389 IonicContact OD1-CZ 2.99Å; D268-R389 IonicContact OD1-NE 3.67Å; D268-R389 PolarHBondContact OD1-NE 3.28Å; D268-R389 IonicContact OD1-NH2 2.76Å; D268-R389 IonicContact OD2-CZ 3.37Å; D268-R389 IonicContact OD2-NE 3.45Å; D268-R389 PolarHBondContact OD2-NE 2.92Å; D268-R389 IonicContact OD2-NH2 2.73Å; D268-R389 PolarHBondContact OD2-NH2 3.27Å; A385-R389 VanDerWaalsContact O-CG 3.25Å; A385-R389 WeakPolarHBondContact O-CG 3.48Å; A385-R389 PolarHBondContact O-N 3.45Å; I386-R389 PolarHBondContact O-N 2.86Å; I387-R389 VanDerWaalsContact C-N 3.31Å; I387-R389 PolarHBondContact O-N 3.45Å; R389-Y392 PolarHBondContact O-N 3.01Å; R389-M393 WeakPolarHBondContact O-CG 3.24Å; R389-M393 PolarHBondContact O-N 3Å
390	H	95.5	Very high	94.6	Very high	2 Å²	2	29 Å²	29	1%	0.009	13%	0.129	C	C	.	.	H	α-helix	trans	-66.3	-38.8	176	-78.4	-79	0	0	0	113.1	F231 T267 I273 V277 I386 I387 M393 F394	F231-H390 AromaticContact CZ-ND1 3.92Å; T267-H390 PolarHBondContact O-CE1 3.06Å; T267-H390 VanDerWaalsContact O-CE1 3.3Å; T267-H390 PolarHBondContact O-NE2 3.34Å; T267-H390 VanDerWaalsContact O-NE2 3.13Å; I273-H390 VanDerWaalsContact CG2-NE2 3.33Å; I273-H390 WeakPolarHBondContact CG2-NE2 3.43Å; V277-H390 HydrophobicContact CB-CB 4.43Å; V277-H390 HydrophobicContact CG1-CB 4.26Å; V277-H390 HydrophobicContact CG2-CB 4.1Å; I386-H390 PolarHBondContact O-CD2 3.12Å; I386-H390 VanDerWaalsContact O-CD2 3.31Å; I386-H390 PolarHBondContact O-N 3.39Å; I387-H390 PolarHBondContact O-N 3.37Å; H390-M393 HydrophobicContact CB-CE 4.45Å; H390-F394 PolarHBondContact O-N 3.02Å
391	L	96	Very high	94.5	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.031	13%	0.129	C	C	.	.	H	α-helix	trans	-65.8	-40.4	173.4	-69.3	175.7	0	0	0	111.6	L187 V277 L281 L370 L374 I387 F394 I395	L187-L391 HydrophobicContact CD1-CB 4.39Å; L187-L391 HydrophobicContact CD1-CD1 3.72Å; L187-L391 HydrophobicContact CD2-CB 3.65Å; L187-L391 HydrophobicContact CD2-CD1 4.5Å; V277-L391 HydrophobicContact CG1-CD2 3.83Å; V277-L391 HydrophobicContact CG1-CG 4.28Å; L281-L391 HydrophobicContact CD1-CD2 3.77Å; L281-L391 HydrophobicContact CD2-CD2 3.86Å; L281-L391 HydrophobicContact CG-CD2 4.07Å; L370-L391 HydrophobicContact CD1-CD1 4.15Å; L370-L391 HydrophobicContact CD1-CD2 4Å; L374-L391 HydrophobicContact CD1-CD1 3.78Å; I387-L391 HydrophobicContact CG2-CD1 3.76Å; I387-L391 HydrophobicContact CG2-CG 4.25Å; I387-L391 WeakPolarHBondContact O-CB 3.41Å; I387-L391 VanDerWaalsContact O-CG 3.3Å; I387-L391 WeakPolarHBondContact O-CG 3.28Å; I387-L391 PolarHBondContact O-N 2.7Å; L391-F394 PolarHBondContact O-N 2.98Å; L391-I395 WeakPolarHBondContact O-CD1 3.44Å; L391-I395 VanDerWaalsContact O-CG1 3.24Å; L391-I395 WeakPolarHBondContact O-CG1 3.48Å; L391-I395 PolarHBondContact O-N 3.25Å
392	Y	94.8	Very high	94.5	Very high	53 Å²	53	28.7 Å²	28.7	21%	0.208	13%	0.125	C	C	.	.	H	α-helix	trans	-61.8	-46.5	175.3	-177.1	-94.2	0	0	0	112.4	V185 L236 E241 H388 R389 F394 I395 H396	V185-Y392 HydrophobicContact CB-CD2 4.32Å; V185-Y392 HydrophobicContact CB-CG 4.24Å; V185-Y392 HydrophobicContact CG1-CD1 4.22Å; V185-Y392 HydrophobicContact CG1-CD2 3.38Å; V185-Y392 HydrophobicContact CG1-CE2 3.79Å; V185-Y392 HydrophobicContact CG1-CG 3.63Å; L236-Y392 HydrophobicContact CD2-CD1 4.16Å; L236-Y392 HydrophobicContact CD2-CE1 3.89Å; E241-Y392 PolarHBondContact OE1-OH 3.48Å; E241-Y392 WeakPolarHBondContact OE2-CE1 3.34Å; H388-Y392 VanDerWaalsContact O-CB 3.28Å; H388-Y392 WeakPolarHBondContact O-CB 3.5Å; H388-Y392 PolarHBondContact O-N 3.42Å; R389-Y392 PolarHBondContact O-N 3.01Å; Y392-F394 VanDerWaalsContact C-N 3.27Å; Y392-F394 PolarHBondContact O-N 3.23Å; Y392-I395 PolarHBondContact O-N 3.09Å; Y392-H396 PolarHBondContact O-N 3.4Å
393	M	95.1	Very high	94.1	Very high	17 Å²	17	36.5 Å²	36.5	8%	0.084	16%	0.158	C	C	.	.	H	α-helix	trans	-58.8	-38.7	173.6	-72.6	-174.3	-71.5	0	0	112.2	Y227 F231 L236 I238 D268 R389 H390 H396 Y397	Y227-M393 WeakPolarHBondContact OH-CB 3.18Å; F231-M393 HydrophobicContact CE2-CE 4.25Å; F231-M393 HydrophobicContact CE2-SD 4.31Å; F231-M393 HydrophobicContact CZ-CE 3.93Å; F231-M393 HydrophobicContact CZ-SD 4.27Å; L236-M393 HydrophobicContact CD2-CG 4.17Å; I238-M393 HydrophobicContact CD1-CE 4.37Å; I238-M393 HydrophobicContact CD1-CG 3.76Å; I238-M393 HydrophobicContact CD1-SD 3.97Å; D268-M393 HydrophobicContact CB-CE 4.03Å; D268-M393 HydrophobicContact CB-SD 4.29Å; R389-M393 WeakPolarHBondContact O-CG 3.24Å; R389-M393 PolarHBondContact O-N 3Å; H390-M393 HydrophobicContact CB-CE 4.45Å; M393-H396 PolarHBondContact O-N 3.14Å; M393-Y397 WeakPolarHBondContact O-CB 3.47Å; M393-Y397 PolarHBondContact O-N 3.23Å
394	F	96	Very high	93.7	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	16%	0.158	C	C	.	.	H	α-helix	trans	-67.4	-42.5	176.5	179.7	-123.1	0	0	0	112.4	V223 L224 Y227 L281 L363 I367 H390 L391 Y392 Y397 L398	V223-F394 HydrophobicContact CG1-CZ 4.45Å; L224-F394 HydrophobicContact CD2-CE1 3.88Å; L224-F394 HydrophobicContact CD2-CE2 4.16Å; L224-F394 HydrophobicContact CD2-CZ 3.56Å; Y227-F394 HydrophobicContact CD1-CB 4.38Å; Y227-F394 AromaticContact CD1-CD2 3.37Å; Y227-F394 HydrophobicContact CD1-CD2 3.37Å; Y227-F394 AromaticContact CD1-CE2 3.99Å; Y227-F394 HydrophobicContact CD1-CE2 3.99Å; Y227-F394 HydrophobicContact CD1-CG 4.18Å; Y227-F394 AromaticContact CD2-CD2 3.99Å; Y227-F394 HydrophobicContact CD2-CD2 3.99Å; Y227-F394 HydrophobicContact CE1-CB 3.73Å; Y227-F394 AromaticContact CE1-CD2 3.62Å; Y227-F394 HydrophobicContact CE1-CD2 3.62Å; Y227-F394 HydrophobicContact CE1-CG 4.03Å; Y227-F394 HydrophobicContact CE2-CD2 4.22Å; Y227-F394 AromaticContact CG-CD2 3.54Å; Y227-F394 HydrophobicContact CG-CD2 3.54Å; Y227-F394 AromaticContact CG-CE2 3.97Å; Y227-F394 HydrophobicContact CG-CE2 3.97Å; Y227-F394 PolarHBondContact OH-N 3.21Å; L281-F394 HydrophobicContact CD1-CD1 3.92Å; L281-F394 HydrophobicContact CD1-CE1 4.05Å; L363-F394 HydrophobicContact CD2-CE1 3.91Å; L363-F394 HydrophobicContact CD2-CZ 3.72Å; L363-F394 HydrophobicContact CG-CE1 4.49Å; I367-F394 HydrophobicContact CD1-CE1 4.3Å; H390-F394 PolarHBondContact O-N 3.02Å; L391-F394 PolarHBondContact O-N 2.98Å; Y392-F394 VanDerWaalsContact C-N 3.27Å; Y392-F394 PolarHBondContact O-N 3.23Å; F394-Y397 HydrophobicContact CD2-CD1 4.03Å; F394-Y397 HydrophobicContact CE2-CD1 4.05Å; F394-Y397 HydrophobicContact CE2-CE1 4.35Å; F394-Y397 WeakPolarHBondContact O-CB 3.3Å; F394-Y397 PolarHBondContact O-N 2.8Å; F394-L398 HydrophobicContact CD1-CD1 4.18Å; F394-L398 HydrophobicContact CD2-CG 4.4Å; F394-L398 HydrophobicContact CE1-CD1 3.65Å; F394-L398 HydrophobicContact CE1-CG 4.23Å; F394-L398 HydrophobicContact CE2-CD1 4.3Å; F394-L398 HydrophobicContact CE2-CD2 4.04Å; F394-L398 HydrophobicContact CE2-CG 3.98Å; F394-L398 HydrophobicContact CZ-CD1 3.71Å; F394-L398 HydrophobicContact CZ-CD2 3.93Å; F394-L398 HydrophobicContact CZ-CG 3.87Å; F394-L398 WeakPolarHBondContact O-CG 3.27Å; F394-L398 PolarHBondContact O-N 3.25Å
395	I	95.4	Very high	93.4	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-63.2	-41.9	176.1	-68.6	163.5	0	0	0	110.9	L187 P190 L193 I367 L391 Y392 L398 D399	L187-I395 HydrophobicContact CD2-CD1 4.33Å; P190-I395 HydrophobicContact CG-CG2 3.83Å; L193-I395 HydrophobicContact CD1-CG2 4.4Å; I367-I395 HydrophobicContact CD1-CG1 4.29Å; I367-I395 HydrophobicContact CG2-CD1 3.76Å; I367-I395 HydrophobicContact CG2-CG1 3.97Å; L391-I395 WeakPolarHBondContact O-CD1 3.44Å; L391-I395 VanDerWaalsContact O-CG1 3.24Å; L391-I395 WeakPolarHBondContact O-CG1 3.48Å; L391-I395 PolarHBondContact O-N 3.25Å; Y392-I395 PolarHBondContact O-N 3.09Å; I395-L398 PolarHBondContact O-N 3.49Å; I395-D399 PolarHBondContact O-N 3.33Å
396	H	94	Very high	93	Very high	35 Å²	35	35.5 Å²	35.5	16%	0.162	16%	0.157	C	C	.	.	H	α-helix	trans	-63.6	-43.4	174	179.5	-87.9	0	0	0	112	S234 L236 Y392 M393 L398 D399 R400	S234-H396 PolarHBondContact OG-CE1 3.39Å; S234-H396 VanDerWaalsContact OG-CE1 3.26Å; L236-H396 WeakPolarHBondContact CD1-NE2 3.23Å; L236-H396 HydrophobicContact CD2-CB 4.03Å; Y392-H396 PolarHBondContact O-N 3.4Å; M393-H396 PolarHBondContact O-N 3.14Å; H396-L398 PolarHBondContact O-N 3.2Å; H396-D399 PolarHBondContact O-N 2.87Å; H396-R400 PolarHBondContact NE2-NH2 2.58Å; H396-R400 WeakPolarHBondContact O-CB 3.3Å; H396-R400 VanDerWaalsContact O-CG 3.24Å; H396-R400 WeakPolarHBondContact O-CG 3.12Å; H396-R400 PolarHBondContact O-N 3.32Å
397	Y	94.8	Very high	91.8	Very high	10 Å²	10	37.1 Å²	37.1	4%	0.039	17%	0.171	C	C	.	.	H	α-helix	trans	-55.9	-49.1	172.2	163.3	-98.2	0	0	0	111.8	Y227 Y233 M393 F394 D399 R400 T401 W405	Y227-Y397 AromaticContact CD2-CD1 3.52Å; Y227-Y397 HydrophobicContact CD2-CD1 3.52Å; Y227-Y397 AromaticContact CD2-CD2 3.87Å; Y227-Y397 HydrophobicContact CD2-CD2 3.87Å; Y227-Y397 AromaticContact CD2-CE1 3.99Å; Y227-Y397 HydrophobicContact CD2-CE1 3.99Å; Y227-Y397 HydrophobicContact CD2-CE2 4.29Å; Y227-Y397 AromaticContact CD2-CG 3.43Å; Y227-Y397 HydrophobicContact CD2-CG 3.43Å; Y227-Y397 VanDerWaalsContact CD2-CG 3.43Å; Y227-Y397 HydrophobicContact CE2-CD1 4.29Å; Y227-Y397 HydrophobicContact CE2-CD2 4.48Å; Y227-Y397 AromaticContact CE2-CG 3.93Å; Y227-Y397 HydrophobicContact CE2-CG 3.93Å; Y227-Y397 HydrophobicContact CG-CD1 4Å; Y227-Y397 HydrophobicContact CG-CE1 4.19Å; Y227-Y397 HydrophobicContact CG-CG 4.36Å; Y233-Y397 AromaticContact CD1-CD2 3.64Å; Y233-Y397 HydrophobicContact CD1-CD2 3.64Å; Y233-Y397 HydrophobicContact CD1-CG 4.45Å; Y233-Y397 AromaticContact CD2-CD2 3.66Å; Y233-Y397 HydrophobicContact CD2-CD2 3.66Å; Y233-Y397 AromaticContact CD2-CE2 3.82Å; Y233-Y397 HydrophobicContact CD2-CE2 3.82Å; Y233-Y397 AromaticContact CE1-CD2 3.71Å; Y233-Y397 HydrophobicContact CE1-CD2 3.71Å; Y233-Y397 HydrophobicContact CE1-CE2 4.45Å; Y233-Y397 AromaticContact CE2-CD2 3.72Å; Y233-Y397 HydrophobicContact CE2-CD2 3.72Å; Y233-Y397 AromaticContact CE2-CE2 3.7Å; Y233-Y397 HydrophobicContact CE2-CE2 3.7Å; Y233-Y397 AromaticContact CG-CD2 3.6Å; Y233-Y397 HydrophobicContact CG-CD2 3.6Å; Y233-Y397 HydrophobicContact CG-CE2 4.25Å; Y233-Y397 AromaticContact CZ-CD2 3.74Å; M393-Y397 WeakPolarHBondContact O-CB 3.47Å; M393-Y397 PolarHBondContact O-N 3.23Å; F394-Y397 HydrophobicContact CD2-CD1 4.03Å; F394-Y397 HydrophobicContact CE2-CD1 4.05Å; F394-Y397 HydrophobicContact CE2-CE1 4.35Å; F394-Y397 WeakPolarHBondContact O-CB 3.3Å; F394-Y397 PolarHBondContact O-N 2.8Å; Y397-D399 VanDerWaalsContact C-N 3.32Å; Y397-D399 PolarHBondContact O-N 3.49Å; Y397-R400 PolarHBondContact O-N 2.93Å; Y397-T401 HydrophobicContact CD2-CG2 4.03Å; Y397-T401 HydrophobicContact CE2-CG2 3.77Å; Y397-T401 WeakPolarHBondContact O-CB 3.43Å; Y397-T401 PolarHBondContact O-N 3.39Å; Y397-T401 PolarHBondContact O-OG1 3.11Å; Y397-W405 AromaticContact CE1-NE1 3.93Å; Y397-W405 AromaticContact CZ-NE1 3.9Å; Y397-W405 VanDerWaalsContact OH-CZ2 3.29Å; Y397-W405 WeakPolarHBondContact OH-CZ2 3.42Å
398	L	94.7	Very high	90	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.6	-40.5	177.6	-72.9	179.3	0	0	0	112	L193 V223 L364 I367 F394 I395 H396 T401 S402	L193-L398 HydrophobicContact CD1-CB 3.74Å; L193-L398 HydrophobicContact CD2-CB 4.46Å; V223-L398 HydrophobicContact CG1-CD2 3.49Å; V223-L398 VanDerWaalsContact CG1-CD2 3.49Å; L364-L398 HydrophobicContact CD2-CD1 4.22Å; I367-L398 HydrophobicContact CD1-CD1 3.61Å; F394-L398 HydrophobicContact CD1-CD1 4.18Å; F394-L398 HydrophobicContact CD2-CG 4.4Å; F394-L398 HydrophobicContact CE1-CD1 3.65Å; F394-L398 HydrophobicContact CE1-CG 4.23Å; F394-L398 HydrophobicContact CE2-CD1 4.3Å; F394-L398 HydrophobicContact CE2-CD2 4.04Å; F394-L398 HydrophobicContact CE2-CG 3.98Å; F394-L398 HydrophobicContact CZ-CD1 3.71Å; F394-L398 HydrophobicContact CZ-CD2 3.93Å; F394-L398 HydrophobicContact CZ-CG 3.87Å; F394-L398 WeakPolarHBondContact O-CG 3.27Å; F394-L398 PolarHBondContact O-N 3.25Å; I395-L398 PolarHBondContact O-N 3.49Å; H396-L398 PolarHBondContact O-N 3.2Å; L398-T401 CarbonylContact O-C 3.5Å; L398-T401 PolarHBondContact O-N 3Å; L398-S402 WeakPolarHBondContact O-CA 3.43Å; L398-S402 WeakPolarHBondContact O-CB 3.39Å; L398-S402 PolarHBondContact O-N 3.43Å
399	D	93.9	Very high	87.6	Confident	42 Å²	42	44.8 Å²	44.8	23%	0.225	21%	0.208	C	C	.	.	H	α-helix	trans	-67.8	-45	179	-169.9	63	0	0	0	111.3	P190 N192 L193 I395 H396 Y397 T401 S402	P190-D399 HydrophobicContact CB-CB 4.36Å; P190-D399 HydrophobicContact CG-CB 4.21Å; N192-D399 WeakPolarHBondContact CB-OD1 3.47Å; N192-D399 PolarHBondContact ND2-OD1 3.03Å; L193-D399 HydrophobicContact CD1-CB 4.01Å; L193-D399 HydrophobicContact CG-CB 4.01Å; I395-D399 PolarHBondContact O-N 3.33Å; H396-D399 PolarHBondContact O-N 2.87Å; Y397-D399 VanDerWaalsContact C-N 3.32Å; Y397-D399 PolarHBondContact O-N 3.49Å; D399-T401 VanDerWaalsContact C-N 3.3Å; D399-T401 PolarHBondContact O-N 3.13Å; D399-S402 WeakPolarHBondContact O-CB 3.32Å; D399-S402 PolarHBondContact O-N 3.41Å; D399-S402 PolarHBondContact O-OG 3.2Å
400	R	91.8	Very high	84.8	Confident	162 Å²	162	52.8 Å²	52.8	61%	0.611	24%	0.238	S	C	*	.	H	α-helix	trans	-62.8	-34.7	175.8	-68.5	-67.7	-177.4	148.1	0.7	113.1	H396 Y397	H396-R400 PolarHBondContact NE2-NH2 2.58Å; H396-R400 WeakPolarHBondContact O-CB 3.3Å; H396-R400 VanDerWaalsContact O-CG 3.24Å; H396-R400 WeakPolarHBondContact O-CG 3.12Å; H396-R400 PolarHBondContact O-N 3.32Å; Y397-R400 PolarHBondContact O-N 2.93Å
401	T	91.6	Very high	81.8	Confident	20 Å²	20	58.3 Å²	58.3	12%	0.123	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	9.2	-179	58	0	0	0	0	113.1	Y233 Y397 L398 D399 K403 F404 W405	Y233-T401 WeakPolarHBondContact OH-CG2 3.37Å; Y397-T401 HydrophobicContact CD2-CG2 4.03Å; Y397-T401 HydrophobicContact CE2-CG2 3.77Å; Y397-T401 WeakPolarHBondContact O-CB 3.43Å; Y397-T401 PolarHBondContact O-N 3.39Å; Y397-T401 PolarHBondContact O-OG1 3.11Å; L398-T401 CarbonylContact O-C 3.5Å; L398-T401 PolarHBondContact O-N 3Å; D399-T401 VanDerWaalsContact C-N 3.3Å; D399-T401 PolarHBondContact O-N 3.13Å; T401-K403 VanDerWaalsContact C-N 3.28Å; T401-K403 PolarHBondContact O-N 3.22Å; T401-K403 VanDerWaalsContact O-N 3.14Å; T401-F404 WeakPolarHBondContact O-CB 3.18Å; T401-F404 PolarHBondContact O-N 3.41Å; T401-W405 PolarHBondContact O-N 3.03Å; T401-W405 PolarHBondContact OG1-NE1 3.03Å
402	S	91.5	Very high	78.9	Confident	7 Å²	7	64 Å²	64	5%	0.049	30%	0.303	C	S	.	.	H	α-helix	trans	-58.3	-37.7	-168.7	73	0	0	0	0	113.6	N192 L398 D399 F404 W405 F406	N192-S402 WeakPolarHBondContact ND2-CB 3.36Å; N192-S402 PolarHBondContact ND2-OG 2.88Å; L398-S402 WeakPolarHBondContact O-CA 3.43Å; L398-S402 WeakPolarHBondContact O-CB 3.39Å; L398-S402 PolarHBondContact O-N 3.43Å; D399-S402 WeakPolarHBondContact O-CB 3.32Å; D399-S402 PolarHBondContact O-N 3.41Å; D399-S402 PolarHBondContact O-OG 3.2Å; S402-F404 PolarHBondContact O-N 2.69Å; S402-W405 PolarHBondContact O-N 2.94Å; S402-F406 WeakPolarHBondContact O-CA 3.37Å; S402-F406 WeakPolarHBondContact O-CB 3.46Å; S402-F406 WeakPolarHBondContact O-CD2 3.5Å; S402-F406 PolarHBondContact O-N 3Å
403	K	86.6	Confident	76	Confident	179 Å²	179	66.9 Å²	66.9	78%	0.778	32%	0.319	S	S	*	.	H	α-helix	trans	-61.5	-25.6	177.7	-65	-179.7	-178.5	174.8	0	113.6	T401 S407	T401-K403 VanDerWaalsContact C-N 3.28Å; T401-K403 PolarHBondContact O-N 3.22Å; T401-K403 VanDerWaalsContact O-N 3.14Å; K403-S407 WeakPolarHBondContact O-CB 3.27Å; K403-S407 PolarHBondContact O-OG 3.44Å
404	F	86.3	Confident	73.1	Confident	96 Å²	96	75.3 Å²	75.3	42%	0.421	35%	0.354	S	S	.	.	H	α-helix	trans	-86.2	-49.5	-179.5	-179.7	-114.3	0	0	0	110.8	W217 P325 T401 S402	W217-F404 HydrophobicContact CH2-CD1 4.2Å; W217-F404 AromaticContact CH2-CE1 3.41Å; W217-F404 HydrophobicContact CH2-CE1 3.41Å; W217-F404 VanDerWaalsContact CH2-CE1 3.41Å; W217-F404 HydrophobicContact CH2-CE2 4.1Å; W217-F404 AromaticContact CH2-CZ 3.34Å; W217-F404 HydrophobicContact CH2-CZ 3.34Å; W217-F404 AromaticContact CZ2-CD1 3.84Å; W217-F404 HydrophobicContact CZ2-CD1 3.84Å; W217-F404 HydrophobicContact CZ2-CD2 4.22Å; W217-F404 AromaticContact CZ2-CE1 3.5Å; W217-F404 HydrophobicContact CZ2-CE1 3.5Å; W217-F404 VanDerWaalsContact CZ2-CE1 3.5Å; W217-F404 AromaticContact CZ2-CE2 3.89Å; W217-F404 HydrophobicContact CZ2-CE2 3.89Å; W217-F404 HydrophobicContact CZ2-CG 4.19Å; W217-F404 AromaticContact CZ2-CZ 3.52Å; W217-F404 HydrophobicContact CZ2-CZ 3.52Å; W217-F404 HydrophobicContact CZ3-CZ 4.41Å; W217-F404 PolarHBondContact NE1-O 3.45Å; P325-F404 HydrophobicContact CG-CE2 4.33Å; T401-F404 WeakPolarHBondContact O-CB 3.18Å; T401-F404 PolarHBondContact O-N 3.41Å; S402-F404 PolarHBondContact O-N 2.69Å
405	W	88	Confident	70.1	Confident	11 Å²	11	79.3 Å²	79.3	4%	0.042	38%	0.376	C	S	.	.	H	α-helix	trans	-75.8	-34.2	-178.5	-57.1	120.4	0	0	0	114.2	W217 C218 V223 K226 Y397 T401 S402	W217-W405 AromaticContact CH2-CE3 3.78Å; W217-W405 HydrophobicContact CH2-CE3 3.78Å; W217-W405 HydrophobicContact CH2-CH2 4.16Å; W217-W405 AromaticContact CH2-CZ3 3.33Å; W217-W405 HydrophobicContact CH2-CZ3 3.33Å; W217-W405 AromaticContact CZ2-CE3 3.56Å; W217-W405 HydrophobicContact CZ2-CE3 3.56Å; W217-W405 AromaticContact CZ2-CZ3 3.65Å; W217-W405 HydrophobicContact CZ2-CZ3 3.65Å; W217-W405 HydrophobicContact CZ3-CZ3 4.24Å; C218-W405 HydrophobicContact CB-CZ3 4.35Å; V223-W405 HydrophobicContact CG1-CD2 4.27Å; V223-W405 HydrophobicContact CG1-CG 4.47Å; V223-W405 HydrophobicContact CG2-CD2 3.9Å; V223-W405 HydrophobicContact CG2-CE3 3.6Å; V223-W405 HydrophobicContact CG2-CG 4.44Å; V223-W405 HydrophobicContact CG2-CH2 4.5Å; V223-W405 HydrophobicContact CG2-CZ3 3.9Å; K226-W405 HydrophobicContact CB-CH2 3.89Å; K226-W405 HydrophobicContact CB-CZ2 4.08Å; K226-W405 HydrophobicContact CG-CH2 3.89Å; K226-W405 HydrophobicContact CG-CZ2 3.92Å; Y397-W405 AromaticContact CE1-NE1 3.93Å; Y397-W405 AromaticContact CZ-NE1 3.9Å; Y397-W405 VanDerWaalsContact OH-CZ2 3.29Å; Y397-W405 WeakPolarHBondContact OH-CZ2 3.42Å; T401-W405 PolarHBondContact O-N 3.03Å; T401-W405 PolarHBondContact OG1-NE1 3.03Å; S402-W405 PolarHBondContact O-N 2.94Å
406	F	86.6	Confident	67.1	Low	14 Å²	14	86.2 Å²	86.2	6%	0.061	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	47.4	-175	-45.6	-73.1	0	0	0	110.7	L193 I196 P360 Y361 L364 S402	L193-F406 HydrophobicContact CD2-CD2 4.17Å; L193-F406 HydrophobicContact CD2-CE2 3.78Å; I196-F406 HydrophobicContact CD1-CB 4.16Å; I196-F406 HydrophobicContact CD1-CD2 4.18Å; I196-F406 HydrophobicContact CD1-CG 4.44Å; I196-F406 HydrophobicContact CG2-CB 3.87Å; I196-F406 HydrophobicContact CG2-CD1 4.2Å; I196-F406 HydrophobicContact CG2-CD2 4.44Å; I196-F406 HydrophobicContact CG2-CG 3.93Å; P360-F406 HydrophobicContact CB-CE1 3.76Å; P360-F406 HydrophobicContact CB-CZ 4.29Å; P360-F406 HydrophobicContact CG-CD1 4.27Å; P360-F406 HydrophobicContact CG-CE1 3.91Å; Y361-F406 AromaticContact CD1-CD1 3.76Å; Y361-F406 HydrophobicContact CD1-CD1 3.76Å; Y361-F406 HydrophobicContact CD1-CE1 4.35Å; Y361-F406 HydrophobicContact CE1-CB 3.94Å; Y361-F406 AromaticContact CE1-CD1 3.61Å; Y361-F406 HydrophobicContact CE1-CD1 3.61Å; Y361-F406 HydrophobicContact CE1-CG 4.2Å; Y361-F406 HydrophobicContact CG-CD1 4.29Å; L364-F406 HydrophobicContact CD1-CD1 4.43Å; L364-F406 HydrophobicContact CD1-CE1 3.88Å; L364-F406 HydrophobicContact CD1-CE2 4.36Å; L364-F406 HydrophobicContact CD1-CZ 3.85Å; L364-F406 HydrophobicContact CD2-CE1 4.49Å; L364-F406 HydrophobicContact CD2-CE2 4.36Å; L364-F406 HydrophobicContact CD2-CZ 3.8Å; L364-F406 HydrophobicContact CG-CE1 4.07Å; L364-F406 HydrophobicContact CG-CZ 3.88Å; S402-F406 WeakPolarHBondContact O-CA 3.37Å; S402-F406 WeakPolarHBondContact O-CB 3.46Å; S402-F406 WeakPolarHBondContact O-CD2 3.5Å; S402-F406 PolarHBondContact O-N 3Å
407	S	69.2	Low	64.1	Low	62 Å²	62	93.9 Å²	93.9	43%	0.434	44%	0.438	S	S	.	.			trans	-62.1	154.1	-173.9	-123.4	0	0	0	0	113.1	K403 C409	K403-S407 WeakPolarHBondContact O-CB 3.27Å; K403-S407 PolarHBondContact O-OG 3.44Å; S407-C409 PolarHBondContact O-N 3.49Å
408	K	58	Low	61.1	Low	173 Å²	173	97.5 Å²	97.5	75%	0.752	46%	0.464	S	S	*	.			trans	-56	111.8	-149	-87.4	-168.3	172	-171.3	0	117.7	W410	K408-W410 VanDerWaalsContact C-N 3.31Å; K408-W410 HydrophobicContact CB-CG 4.46Å; K408-W410 HydrophobicContact CD-CG 4.28Å; K408-W410 HydrophobicContact CG-CG 4.49Å; K408-W410 PolarHBondContact O-N 3.12Å
409	C	45.3	Very low	58.1	Low	44 Å²	44	103.3 Å²	103.3	30%	0.297	50%	0.499	S	S	.	.			trans	-72.4	76.8	154	-61.9	0	0	0	0	112.1	F214 S407	F214-C409 HydrophobicContact CD1-CB 4.4Å; F214-C409 WeakPolarHBondContact CD1-SG 3.44Å; F214-C409 HydrophobicContact CE1-CB 4.15Å; F214-C409 WeakPolarHBondContact CE1-SG 3.43Å; S407-C409 PolarHBondContact O-N 3.49Å
410	W	36.8	Very low	55.1	Low	169 Å²	169	105.9 Å²	105.9	64%	0.64	52%	0.521	S	S	*	.			trans	-139.7	84.5	176	-66.7	76.2	0	0	0	110.9	K408	K408-W410 VanDerWaalsContact C-N 3.31Å; K408-W410 HydrophobicContact CB-CG 4.46Å; K408-W410 HydrophobicContact CD-CG 4.28Å; K408-W410 HydrophobicContact CG-CG 4.49Å; K408-W410 PolarHBondContact O-N 3.12Å
411	S	31.1	Very low	52.1	Low	118 Å²	118	106 Å²	106	83%	0.825	53%	0.534	S	S	*	.	S	Bend	trans	-152.4	44.8	170.2	-75.8	0	0	0	0	113.3
412	H	35.7	Very low	49.1	Very low	126 Å²	126	115 Å²	115	58%	0.583	57%	0.571	S	S	*	*			trans	-154.4	20.5	159.6	-114.1	-62.4	0	0	0	116.8	K414 D415	H412-K414 PolarHBondContact O-N 2.99Å; H412-D415 IonicContact CE1-OD2 3.88Å; H412-D415 PolarHBondContact CE1-OD2 2.93Å; H412-D415 IonicContact ND1-OD2 2.85Å; H412-D415 PolarHBondContact ND1-OD2 2.98Å
413	E	33.2	Very low	46.2	Very low	113 Å²	113	122.9 Å²	122.9	53%	0.528	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.7	8	177.7	-142	-158.2	150.6	0	0	114.7	R417	E413-R417 IonicContact OE1-CZ 3.73Å; E413-R417 IonicContact OE1-NH2 3.03Å; E413-R417 PolarHBondContact OE1-NH2 3.15Å
414	K	34.5	Very low	43.5	Very low	193 Å²	193	123.5 Å²	123.5	84%	0.839	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	-14.2	177.9	-82.8	-170.2	172.8	-176.2	0	116	H412	H412-K414 PolarHBondContact O-N 2.99Å
415	D	33.6	Very low	40.9	Very low	87 Å²	87	128.4 Å²	128.4	47%	0.465	64%	0.641	S	S	.	*	S	Bend	trans	-106.1	-2.8	179.3	-61	-52.9	0	0	0	114	H412 S418	H412-D415 IonicContact CE1-OD2 3.88Å; H412-D415 PolarHBondContact CE1-OD2 2.93Å; H412-D415 IonicContact ND1-OD2 2.85Å; H412-D415 PolarHBondContact ND1-OD2 2.98Å; D415-S418 PolarHBondContact O-OG 2.99Å
416	M	32	Very low	38.2	Very low	150 Å²	150	133.1 Å²	133.1	74%	0.739	68%	0.676	S	S	*	*	S	Bend	trans	-95.6	8.9	177.8	-72.1	-68.2	126.3	0	0	114.1
417	R	31.4	Very low	35.7	Very low	196 Å²	196	137.1 Å²	137.1	74%	0.74	71%	0.706	S	S	*	*	S	Bend	trans	-120.7	10.9	173.7	-58	-167.2	-162.7	-163	7.5	114.1	E413	E413-R417 IonicContact OE1-CZ 3.73Å; E413-R417 IonicContact OE1-NH2 3.03Å; E413-R417 PolarHBondContact OE1-NH2 3.15Å
418	S	32	Very low	34.1	Very low	85 Å²	85	140 Å²	140	59%	0.594	72%	0.72	S	S	*	*	S	Bend	trans	-111.3	-1.3	178.4	48.7	0	0	0	0	114	D415	D415-S418 PolarHBondContact O-OG 2.99Å
419	V	31.8	Very low	33	Very low	122 Å²	122	138.2 Å²	138.2	74%	0.739	72%	0.719	S	S	*	*	S	Bend	trans	-113.8	33.3	-178.7	-160.7	0	0	0	0	111.5
420	S	30.2	Very low	32.4	Very low	96 Å²	96	141.6 Å²	141.6	67%	0.671	74%	0.739	S	S	*	*	S	Bend	trans	-139.4	123.9	164.7	-72	0	0	0	0	106.8
421	N	29.3	Very low	32.2	Very low	165 Å²	165	138.9 Å²	138.9	88%	0.882	74%	0.741	S	S	*	*	S	Bend	trans	97.5	60.5	-165.3	-53.6	-14.8	0	0	0	115.2
422	K	28.3	Very low	32.5	Very low	208 Å²	208	140.2 Å²	140.2	90%	0.904	74%	0.737	S	S	*	*			trans	-164.6	71	153.3	-112.9	170.1	-173.3	-176.8	0	112.1
423	L	30	Very low	32.7	Very low	174 Å²	174	138.8 Å²	138.8	91%	0.911	74%	0.741	S	S	*	*			trans	-137.4	63.8	163.6	-169.7	73.3	0	0	0	109.5
424	E	31	Very low	32.8	Very low	191 Å²	191	141.6 Å²	141.6	89%	0.893	76%	0.755	S	S	*	*			trans	-161.9	97.3	168	-118.8	172.1	-150.9	0	0	108.5
425	Q	31.3	Very low	32.9	Very low	199 Å²	199	138.1 Å²	138.1	93%	0.93	75%	0.754	S	S	*	*			trans	-162.4	83	166.3	-119.6	179.1	23.8	0	0	112.7
426	S	30.5	Very low	33.2	Very low	110 Å²	110	138.6 Å²	138.6	77%	0.769	77%	0.765	S	S	*	*			trans	-164.5	136.3	131.1	92.9	0	0	0	0	105
427	S	34.9	Very low	33.4	Very low	98 Å²	98	135.9 Å²	135.9	69%	0.685	76%	0.76	S	S	*	*			cis	-166.6	158.8	42.6	-91.1	0	0	0	0	111.8
428	V	35.7	Very low	33.9	Very low	122 Å²	122	133.3 Å²	133.3	74%	0.739	76%	0.762	S	S	*	*			trans	75.3	103	148.2	171.8	0	0	0	0	119.3
429	N	34.8	Very low	34.4	Very low	137 Å²	137	134.8 Å²	134.8	73%	0.733	77%	0.767	S	S	*	*				73.6	106.4	129.3	-62.7	5.5	0	0	0	123.6
430	T	32.3	Very low	34.8	Very low	114 Å²	114	137.2 Å²	137.2	70%	0.699	77%	0.77	S	S	*	*				91.8	125.3	110.6	-53.8	0	0	0	0	120.7
431	T	33.1	Very low	35.4	Very low	113 Å²	113	137.1 Å²	137.1	69%	0.693	77%	0.768	S	S	*	*			trans	80.2	117.3	152	44.9	0	0	0	0	124.2
432	I	36.6	Very low	35.8	Very low	145 Å²	145	136.4 Å²	136.4	74%	0.744	76%	0.763	S	S	*	*				93.3	109.6	122	-72.1	168.1	0	0	0	120.9
433	S	39.3	Very low	36.2	Very low	96 Å²	96	131.3 Å²	131.3	67%	0.671	75%	0.749	S	S	*	*			trans	61.7	160.5	141.9	74.3	0	0	0	0	120.7
434	E	36.4	Very low	36.5	Very low	173 Å²	173	129.3 Å²	129.3	81%	0.808	74%	0.739	S	S	*	*			cis	-170.4	159.7	-20	-106.2	172.5	179.9	0	0	107.6
435	S	36.3	Very low	36.8	Very low	119 Å²	119	126.6 Å²	126.6	83%	0.832	73%	0.73	S	S	*	*			trans	62.5	164	163.1	75.8	0	0	0	0	118.4
436	S	39.9	Very low	37	Very low	98 Å²	98	123.1 Å²	123.1	69%	0.685	72%	0.722	S	S	*	*			cis	-158.8	144.8	-37.5	55.8	0	0	0	0	110
437	S	37.2	Very low	37.1	Very low	92 Å²	92	122.4 Å²	122.4	64%	0.643	72%	0.717	S	S	*	*			trans	55.8	164.3	135	78	0	0	0	0	123.8
438	D	40.4	Very low	37.2	Very low	143 Å²	143	126.9 Å²	126.9	77%	0.765	72%	0.721	S	S	*	*			trans	82.6	142.1	161.9	-53.2	3.4	0	0	0	118.5
439	T	42.6	Very low	37.3	Very low	116 Å²	116	129.3 Å²	129.3	71%	0.712	72%	0.721	S	S	*	*			cis	-165.6	137.4	-17.1	-87.8	0	0	0	0	110.5
440	E	41.1	Very low	37.1	Very low	172 Å²	172	127.6 Å²	127.6	80%	0.804	72%	0.72	S	S	*	*			trans	39.1	155.2	155.1	-71.4	-75	105	0	0	125.6
441	P	43	Very low	37.3	Very low	95 Å²	95	130.8 Å²	130.8	62%	0.617	73%	0.731	S	S	*	*			trans	-107	-170.5	177.4	43	-33.7	0	0	0	113.9
442	L	37.4	Very low	37.2	Very low	150 Å²	150	136.5 Å²	136.5	79%	0.785	74%	0.74	S	S	*	*			trans	175.6	144.3	145.2	-96	157.6	0	0	0	117
443	T	35.9	Very low	37.1	Very low	100 Å²	100	140.6 Å²	140.6	61%	0.613	75%	0.747	S	S	*	*			trans	60.6	133.1	148.6	59.3	0	0	0	0	122.5
444	N	36.4	Very low	36.9	Very low	132 Å²	132	141.2 Å²	141.2	71%	0.706	75%	0.746	S	S	*	*				-165.5	137.4	64.6	-86.8	-58.5	0	0	0	110.9
445	I	38	Very low	36.9	Very low	134 Å²	134	138.9 Å²	138.9	69%	0.687	74%	0.744	S	S	*	*				63.9	120.4	77.8	-56.8	175.5	0	0	0	111.7
446	T	35.7	Very low	36.9	Very low	126 Å²	126	144 Å²	144	77%	0.773	75%	0.745	S	S	*	*				-162.8	162.5	58.3	-27.8	0	0	0	0	113.8
447	S	31.5	Very low	36.8	Very low	95 Å²	95	145 Å²	145	66%	0.664	74%	0.743	S	S	*	*			trans	-103.5	165.4	175.4	61	0	0	0	0	114.2
448	Y	38.1	Very low	36.7	Very low	193 Å²	193	146.2 Å²	146.2	76%	0.757	75%	0.747	S	S	*	*			trans	179.6	154.6	147.7	-80.8	-27.8	0	0	0	108
449	K	38.1	Very low	36.5	Very low	173 Å²	173	144.4 Å²	144.4	75%	0.752	75%	0.745	S	S	*	*			cis	-152.6	-177	-10.6	-116.1	158.5	-174.7	157.3	0	108.6
450	S	30.6	Very low	36.2	Very low	100 Å²	100	148 Å²	148	70%	0.699	75%	0.751	S	S	*	*			trans	-124	157.7	-178.8	178.8	0	0	0	0	111.7
451	L	35.7	Very low	35.7	Very low	181 Å²	181	147.7 Å²	147.7	95%	0.948	76%	0.755	S	S	*	*			trans	-152	153.1	150.7	-133.7	75.9	0	0	0	112.1
452	R	30.4	Very low	35.1	Very low	234 Å²	234	151.1 Å²	151.1	88%	0.883	76%	0.762	S	S	*	*			trans	-149	136.2	-160.3	-166.1	-167.4	-156.3	-167.7	9.4	110.9
453	R	34.7	Very low	34.8	Very low	231 Å²	231	152.3 Å²	152.3	87%	0.872	77%	0.769	S	S	*	*			trans	-168.4	115.5	159.1	-102.3	-169.2	171.1	156.3	-1.7	109.8
454	T	35.6	Very low	34.3	Very low	109 Å²	109	152 Å²	152	67%	0.669	77%	0.767	S	S	*	*				62.9	133.7	90.2	63.6	0	0	0	0	114.5
455	T	36.8	Very low	33.9	Very low	123 Å²	123	154 Å²	154	76%	0.755	77%	0.774	S	S	*	*			cis	-174.5	163.1	11.7	12.7	0	0	0	0	112.1
456	R	35.2	Very low	33.3	Very low	226 Å²	226	157.2 Å²	157.2	85%	0.853	78%	0.778	S	S	*	*			trans	69.2	148.6	161.3	-72.2	-174.4	161.4	158.5	-4.3	117
457	N	38.2	Very low	33.1	Very low	120 Å²	120	156.6 Å²	156.6	64%	0.642	78%	0.778	S	S	*	*			cis	-159.5	144.6	3.1	-120.3	2	0	0	0	112.2
458	T	35.9	Very low	32.9	Very low	118 Å²	118	159.4 Å²	159.4	72%	0.724	78%	0.781	S	S	*	*			trans	31.1	136.5	140.9	61.1	0	0	0	0	121.4
459	S	36	Very low	32.6	Very low	105 Å²	105	155.5 Å²	155.5	73%	0.734	78%	0.782	S	S	*	*			cis	-166.4	149.5	42.6	-55.1	0	0	0	0	115.6
460	K	34.8	Very low	32.3	Very low	191 Å²	191	152.1 Å²	152.1	83%	0.83	78%	0.78	S	S	*	*			trans	36.1	118.7	139.2	-59.6	177.8	179.5	179.5	0	121
461	N	32.5	Very low	32.2	Very low	165 Å²	165	156 Å²	156	88%	0.882	79%	0.787	S	S	*	*				-163.3	152.5	89.5	-106	-12.2	0	0	0	112.5
462	Q	29.7	Very low	31.9	Very low	167 Å²	167	155.1 Å²	155.1	78%	0.78	78%	0.782	S	S	*	*			trans	-126.5	134.5	-171	173.9	-174	34.7	0	0	108.4
463	L	30.2	Very low	31.9	Very low	175 Å²	175	148.9 Å²	148.9	92%	0.916	78%	0.775	S	S	*	*			trans	-148.3	117.3	160.9	-112.3	160.7	0	0	0	109.3
464	T	25.1	Very low	31.7	Very low	94 Å²	94	148.6 Å²	148.6	58%	0.577	77%	0.774	S	S	*	*			trans	-104.5	136	-176.3	-45.8	0	0	0	0	108.2
465	M	29.3	Very low	31.2	Very low	175 Å²	175	150.4 Å²	150.4	86%	0.862	78%	0.779	S	S	*	*			trans	-126.3	135.4	160.1	-79.9	-61.8	-70.2	0	0	109.5
466	R	24.3	Very low	31	Very low	201 Å²	201	152.1 Å²	152.1	76%	0.758	78%	0.782	S	S	*	*			trans	-139.1	122.4	-169	-157.8	-168.2	-165.5	-151.1	5.7	107.7	E468	R466-E468 IonicContact NH1-OE1 2.69Å
467	S	31.7	Very low	30.8	Very low	112 Å²	112	147.6 Å²	147.6	78%	0.783	78%	0.779	S	S	*	*			trans	-159.6	110.4	164.5	-59.8	0	0	0	0	104.7
468	E	27.1	Very low	30.2	Very low	155 Å²	155	151.2 Å²	151.2	72%	0.724	79%	0.789	S	S	*	*				65.7	95.9	53.1	-66.7	-173.2	-168.8	0	0	114.4	R466	R466-E468 IonicContact NH1-OE1 2.69Å
469	S	33.1	Very low	30.3	Very low	110 Å²	110	151 Å²	151	77%	0.769	79%	0.789	S	S	*	*			trans	179.7	113.4	138.3	57.6	0	0	0	0	112.8
470	S	32.1	Very low	29.9	Very low	103 Å²	103	153 Å²	153	72%	0.72	79%	0.791	S	S	*	*			trans	37.2	119	134.8	56.6	0	0	0	0	120.9
471	E	27.8	Very low	29.7	Very low	181 Å²	181	153.7 Å²	153.7	85%	0.846	79%	0.79	S	S	*	*				81.4	150	70.7	-78.9	-137.5	146.2	0	0	116.3
472	L	29.8	Very low	29.6	Very low	162 Å²	162	150.5 Å²	150.5	85%	0.848	78%	0.781	S	S	*	*			trans	77	133.9	177.2	-53.7	171.5	0	0	0	115.6
473	S	31.3	Very low	29.8	Very low	104 Å²	104	146.7 Å²	146.7	73%	0.727	77%	0.772	S	S	*	*			cis	-150.7	129.8	-0.8	-71.1	0	0	0	0	109.1
474	R	28.5	Very low	29.8	Very low	225 Å²	225	144.9 Å²	144.9	85%	0.849	76%	0.763	S	S	*	*				47.8	109.8	92.7	-76.5	-166.6	-179.6	-159.9	2	118.9
475	L	26.9	Very low	30.1	Very low	147 Å²	147	148.3 Å²	148.3	77%	0.77	77%	0.773	S	S	*	*			trans	72	121.5	134.6	-59.4	167.5	0	0	0	121.3
476	I	31.1	Very low	30.1	Very low	159 Å²	159	145.1 Å²	145.1	82%	0.815	77%	0.768	S	S	*	*				-176	102.6	125.3	-89.1	149.7	0	0	0	107.2
477	T	30.9	Very low	30.5	Very low	130 Å²	130	141 Å²	141	80%	0.798	77%	0.767	S	S	*	*				77.9	123.5	95.1	-35.9	0	0	0	0	115.9
478	K	27.1	Very low	30.3	Very low	197 Å²	197	141.2 Å²	141.2	86%	0.857	76%	0.764	S	S	*	*			trans	-93.2	-164.2	177.4	-62.4	-179.3	171.7	-176.8	0	111.6
479	P	37.4	Very low	30.4	Very low	112 Å²	112	141 Å²	141	73%	0.727	77%	0.773	S	S	*	*				-130.4	-156.4	-74.8	41.3	-22.9	0	0	0	111.8
480	L	27.3	Very low	30	Very low	148 Å²	148	141 Å²	141	78%	0.775	77%	0.769	S	S	*	*			trans	138.3	158.5	130.9	-143.4	78.4	0	0	0	115.8
481	Y	30.8	Very low	29.9	Very low	206 Å²	206	141.7 Å²	141.7	81%	0.808	77%	0.773	S	S	*	*			trans	98.8	109.8	178.8	-75.7	-97.3	0	0	0	115.2
482	S	30	Very low	29.7	Very low	98 Å²	98	140.4 Å²	140.4	69%	0.685	77%	0.772	S	S	*	*				80.3	134.2	63.2	-164.4	0	0	0	0	111.2
483	S	33.6	Very low	29.7	Very low	86 Å²	86	137.8 Å²	137.8	60%	0.601	77%	0.768	S	S	*	*			cis	-170.2	155.6	14.8	12.4	0	0	0	0	111.9
484	N	30.5	Very low	29.4	Very low	137 Å²	137	142.3 Å²	142.3	73%	0.733	78%	0.777	S	S	*	*			trans	62.4	152.9	145.5	-58.7	20.8	0	0	0	119.3
485	E	32	Very low	29.2	Very low	167 Å²	167	139 Å²	139	78%	0.78	78%	0.775	S	S	*	*			cis	-156.2	169.1	7.4	-129.7	153.3	-119.7	0	0	113.3
486	S	29	Very low	29.2	Very low	108 Å²	108	139.2 Å²	139.2	76%	0.755	78%	0.776	S	S	*	*			trans	-75.1	-166.2	-168.2	-37.3	0	0	0	0	116.8
487	P	33.7	Very low	29.1	Very low	114 Å²	114	137.7 Å²	137.7	74%	0.74	77%	0.768	S	S	*	*			cis	-139.8	154.6	-7.1	34.4	-12.4	0	0	0	119.6
488	T	26.5	Very low	28.8	Very low	117 Å²	117	136.3 Å²	136.3	72%	0.718	76%	0.763	S	S	*	*			trans	18.6	129.4	135.2	-35.2	0	0	0	0	123.4
489	V	29.2	Very low	29.1	Very low	151 Å²	151	131.6 Å²	131.6	92%	0.915	75%	0.751	S	S	*	*			trans	-137.6	142	138.3	177.9	0	0	0	0	109.8
490	T	24.3	Very low	28.6	Very low	110 Å²	110	131.6 Å²	131.6	68%	0.675	75%	0.745	S	S	*	*			trans	-107.9	138.9	-170.9	-38.1	0	0	0	0	112.4
491	S	29.4	Very low	28.9	Very low	116 Å²	116	128.3 Å²	128.3	81%	0.811	73%	0.728	S	S	*	*			trans	-156	140.8	150.2	62.6	0	0	0	0	112.7
492	N	24.6	Very low	29	Very low	154 Å²	154	126.4 Å²	126.4	82%	0.824	72%	0.724	S	S	*	*			trans	-89.4	137.9	179.8	-63.2	-41	0	0	0	110.6
493	S	29.4	Very low	29.2	Very low	108 Å²	108	128.1 Å²	128.1	76%	0.755	73%	0.725	S	S	*	*			trans	-156.2	111.9	157.5	-71.9	0	0	0	0	110.9	L495	S493-L495 PolarHBondContact O-N 3.19Å
494	Q	24.5	Very low	29.3	Very low	199 Å²	199	129.8 Å²	129.8	93%	0.93	73%	0.726	S	S	*	*			trans	-73.1	121.9	164.7	-68	172.9	-28	0	0	108.5
495	L	25.9	Very low	29.4	Very low	155 Å²	155	131 Å²	131	81%	0.812	73%	0.732	S	S	*	*			trans	-132.8	121	170.3	-92.6	171.3	0	0	0	112.8	S493 I497	S493-L495 PolarHBondContact O-N 3.19Å; L495-I497 PolarHBondContact O-N 2.82Å
496	I	26.1	Very low	29.3	Very low	152 Å²	152	131.5 Å²	131.5	78%	0.779	73%	0.732	S	S	*	*			trans	-72.6	119.8	175.1	-63.2	164.9	0	0	0	107.9	S498	I496-S498 VanDerWaalsContact C-N 3.3Å; I496-S498 PolarHBondContact O-N 2.88Å
497	I	28.3	Very low	29.4	Very low	127 Å²	127	134.8 Å²	134.8	65%	0.651	74%	0.741	S	S	*	*			trans	-75.6	85	175.6	-56.5	-179.8	0	0	0	109.5	L295 L495 V499	L295-I497 HydrophobicContact CD2-CD1 3.9Å; L495-I497 PolarHBondContact O-N 2.82Å; I497-V499 HydrophobicContact CG2-CG2 3.68Å; I497-V499 PolarHBondContact O-N 3.17Å
498	S	26.2	Very low	29.3	Very low	100 Å²	100	133.9 Å²	133.9	70%	0.699	74%	0.738	S	S	*	*			trans	-86.6	92.5	167.1	-65.3	0	0	0	0	109.5	I496 N500	I496-S498 VanDerWaalsContact C-N 3.3Å; I496-S498 PolarHBondContact O-N 2.88Å; S498-N500 PolarHBondContact O-N 3.02Å; S498-N500 VanDerWaalsContact O-N 3.13Å
499	V	32.3	Very low	29.3	Very low	98 Å²	98	134.9 Å²	134.9	59%	0.594	74%	0.739	S	S	*	*			trans	-75.2	103.4	179.6	-160.2	0	0	0	0	110.2	I497 L501	I497-V499 HydrophobicContact CG2-CG2 3.68Å; I497-V499 PolarHBondContact O-N 3.17Å; V499-L501 HydrophobicContact CB-CD1 4.08Å; V499-L501 HydrophobicContact CG1-CD1 3.67Å; V499-L501 PolarHBondContact O-N 3.25Å
500	N	27.2	Very low	29.4	Very low	113 Å²	113	134.5 Å²	134.5	60%	0.604	74%	0.737	S	S	*	*			trans	-84.1	91	176.4	-175.4	15.5	0	0	0	110.5	S498 K502	S498-N500 PolarHBondContact O-N 3.02Å; S498-N500 VanDerWaalsContact O-N 3.13Å; N500-K502 VanDerWaalsContact C-N 3.33Å; N500-K502 PolarHBondContact O-N 3.04Å; N500-K502 WeakPolarHBondContact OD1-CG 3.3Å
501	L	32.5	Very low	29.6	Very low	79 Å²	79	136.5 Å²	136.5	41%	0.414	74%	0.743	S	S	.	*			trans	-73.1	83.5	173.9	-80.9	81.1	0	0	0	110.6	T372 V499 I504	T372-L501 HydrophobicContact CG2-CD1 4.23Å; T372-L501 HydrophobicContact CG2-CD2 4.29Å; V499-L501 HydrophobicContact CB-CD1 4.08Å; V499-L501 HydrophobicContact CG1-CD1 3.67Å; V499-L501 PolarHBondContact O-N 3.25Å; L501-I504 HydrophobicContact CD2-CD1 4.07Å; L501-I504 HydrophobicContact CG-CD1 4.48Å
502	K	34.2	Very low	29.6	Very low	165 Å²	165	136.8 Å²	136.8	72%	0.717	74%	0.74	S	S	*	*			trans	-127.4	-11.1	171.4	-77.7	-173.7	178	-179.8	0	116	N500	N500-K502 VanDerWaalsContact C-N 3.33Å; N500-K502 PolarHBondContact O-N 3.04Å; N500-K502 WeakPolarHBondContact OD1-CG 3.3Å
503	D	33	Very low	29.7	Very low	135 Å²	135	134.8 Å²	134.8	72%	0.722	74%	0.735	S	S	*	*			trans	-100.6	9.9	-172	-60.1	-45.9	0	0	0	115.4	N505 K506	D503-N505 PolarHBondContact O-N 3.37Å; D503-K506 PolarHBondContact O-N 3.5Å
504	I	37.4	Very low	29.8	Very low	121 Å²	121	137.4 Å²	137.4	62%	0.621	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-3.3	-178.9	-66.2	176.7	0	0	0	113.6	L501	L501-I504 HydrophobicContact CD2-CD1 4.07Å; L501-I504 HydrophobicContact CG-CD1 4.48Å
505	N	32.4	Very low	29.8	Very low	161 Å²	161	134.4 Å²	134.4	86%	0.861	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	8.8	-177.6	-102.5	-20.3	0	0	0	115.7	D503	D503-N505 PolarHBondContact O-N 3.37Å
506	K	29.8	Very low	30	Very low	178 Å²	178	132.5 Å²	132.5	77%	0.774	74%	0.735	S	S	*	*			trans	-148.7	91.5	172	-74	-173.6	179.5	175.2	0	111.8	D503	D503-K506 PolarHBondContact O-N 3.5Å
507	D	31.1	Very low	29.9	Very low	178 Å²	178	130.5 Å²	130.5	95%	0.952	74%	0.735	S	S	*	*			trans	-161.4	125.2	131	-100.5	-25.1	0	0	0	110.4
508	S	30.3	Very low	30	Very low	95 Å²	95	131.6 Å²	131.6	66%	0.664	74%	0.74	S	S	*	*			trans	-118.3	144.7	-174.7	57.4	0	0	0	0	110.9
509	N	26.8	Very low	30	Very low	138 Å²	138	132.8 Å²	132.8	74%	0.738	74%	0.744	S	S	*	*			trans	79	83.1	162.8	-50.3	-30.3	0	0	0	117.9
510	T	32.5	Very low	29.9	Very low	142 Å²	142	134 Å²	134	87%	0.871	75%	0.751	S	S	*	*			trans	-126.4	110.7	137.4	38.6	0	0	0	0	109.9
511	N	26.8	Very low	30.1	Very low	152 Å²	152	134 Å²	134	81%	0.813	76%	0.756	S	S	*	*			trans	-79.9	122	175.9	-73.9	-46.6	0	0	0	110.3
512	V	30.8	Very low	30	Very low	123 Å²	123	136 Å²	136	75%	0.745	77%	0.774	S	S	*	*			trans	-139	107.9	159.5	-175.3	0	0	0	0	109.2
513	P	26.3	Very low	29.8	Very low	111 Å²	111	133.3 Å²	133.3	72%	0.721	78%	0.775	S	S	*	*			trans	-86.1	116.1	174.5	32.1	-29.7	0	0	0	110.6
514	L	31.1	Very low	29.5	Very low	163 Å²	163	132.7 Å²	132.7	85%	0.853	78%	0.776	S	S	*	*			trans	-98.4	81.9	167.5	-85.8	166.3	0	0	0	110.4	S516	L514-S516 PolarHBondContact O-N 3Å
515	T	25.2	Very low	29.2	Very low	136 Å²	136	132.7 Å²	132.7	83%	0.834	78%	0.782	S	S	*	*			trans	-69.6	115.7	163.3	47.7	0	0	0	0	109.7
516	S	29.8	Very low	28.9	Very low	115 Å²	115	131.6 Å²	131.6	80%	0.804	78%	0.775	S	S	*	*			trans	-116.1	119	159.8	52.3	0	0	0	0	108.7	L514	L514-S516 PolarHBondContact O-N 3Å
517	S	24.3	Very low	29	Very low	111 Å²	111	130.1 Å²	130.1	78%	0.776	77%	0.774	S	S	*	*			trans	-82	126.5	-172.3	51.3	0	0	0	0	111.6
518	I	30.6	Very low	28.7	Very low	149 Å²	149	126.8 Å²	126.8	76%	0.764	76%	0.764	S	S	*	*			trans	-122.1	100.3	160.9	-60.6	-178.7	0	0	0	108.4	T520	I518-T520 HydrophobicContact CG2-CG2 4.19Å
519	T	25.1	Very low	28.8	Very low	126 Å²	126	128.7 Å²	128.7	77%	0.773	77%	0.772	S	S	*	*			trans	-78.8	119.5	170.8	-49.6	0	0	0	0	108.8
520	T	31.5	Very low	29	Very low	123 Å²	123	127.2 Å²	127.2	76%	0.755	77%	0.772	S	S	*	*			trans	-120.6	117	168.1	44.8	0	0	0	0	110.8	I518	I518-T520 HydrophobicContact CG2-CG2 4.19Å
521	T	30.1	Very low	28.9	Very low	113 Å²	113	126.4 Å²	126.4	69%	0.693	77%	0.769	S	S	*	*			trans	-82.1	141.7	177.2	43.9	0	0	0	0	111.3	S523	T521-S523 PolarHBondContact O-N 3.37Å
522	P	30.7	Very low	29.1	Very low	122 Å²	122	125.7 Å²	125.7	79%	0.792	77%	0.771	S	S	*	*			trans	-82.3	103.4	174.3	31.5	-31.3	0	0	0	110.4	T524	P522-T524 PolarHBondContact O-N 3.42Å
523	S	30.2	Very low	28.9	Very low	108 Å²	108	125.6 Å²	125.6	76%	0.755	77%	0.771	S	S	*	*			trans	-82.7	96.3	171	-68.9	0	0	0	0	110.8	T521 V525	T521-S523 PolarHBondContact O-N 3.37Å; S523-V525 PolarHBondContact O-N 3.46Å
524	T	27.2	Very low	29.1	Very low	121 Å²	121	127 Å²	127	74%	0.742	78%	0.777	S	S	*	*			trans	-67.2	117.7	169.9	-55.1	0	0	0	0	110.2	P522 I526	P522-T524 PolarHBondContact O-N 3.42Å; T524-I526 HydrophobicContact CG2-CG1 4.08Å
525	V	31.1	Very low	28.9	Very low	121 Å²	121	125.6 Å²	125.6	73%	0.733	78%	0.775	S	S	*	*			trans	-110.7	113.4	166.6	179.7	0	0	0	0	109.1	S523 I527	S523-V525 PolarHBondContact O-N 3.46Å; V525-I527 HydrophobicContact CG1-CG1 4.3Å
526	I	26.1	Very low	29.2	Very low	139 Å²	139	122.3 Å²	122.3	71%	0.713	77%	0.769	S	S	*	*			trans	-86.9	122.2	176.5	-60.1	170.2	0	0	0	108.2	T524	T524-I526 HydrophobicContact CG2-CG1 4.08Å
527	I	31.4	Very low	29.2	Very low	147 Å²	147	123.3 Å²	123.3	75%	0.754	77%	0.77	S	S	*	*			trans	-130.6	101.8	160.2	-58.9	-177.9	0	0	0	108.6	V525	V525-I527 HydrophobicContact CG1-CG1 4.3Å
528	S	24.6	Very low	29.3	Very low	107 Å²	107	127.3 Å²	127.3	75%	0.748	77%	0.773	S	S	*	*			trans	-77.4	130.8	165	-72.3	0	0	0	0	110.1
529	T	32.5	Very low	29.3	Very low	136 Å²	136	129.9 Å²	129.9	83%	0.834	78%	0.779	S	S	*	*			trans	-139.2	141.3	148.7	36.5	0	0	0	0	109.9
530	S	31	Very low	29.6	Very low	106 Å²	106	132.9 Å²	132.9	74%	0.741	78%	0.782	S	S	*	*			trans	-85.6	156.8	-168.4	41.9	0	0	0	0	113.6
531	P	30.6	Very low	29.6	Very low	125 Å²	125	134.4 Å²	134.4	81%	0.812	78%	0.78	S	S	*	*			trans	-82.9	148.1	176.2	34.3	-34	0	0	0	112
532	T	31.4	Very low	29.6	Very low	137 Å²	137	136.5 Å²	136.5	84%	0.84	79%	0.787	S	S	*	*			trans	-123.6	128.7	169.1	-47.9	0	0	0	0	110.5
533	T	26.3	Very low	29.3	Very low	121 Å²	121	134.7 Å²	134.7	74%	0.742	78%	0.777	S	S	*	*			trans	-80.5	137.5	-173	-36.1	0	0	0	0	112.6
534	V	31.3	Very low	29.5	Very low	142 Å²	142	135.9 Å²	135.9	86%	0.861	78%	0.779	S	S	*	*			trans	-137.1	133.3	155.9	-175.9	0	0	0	0	110.2
535	T	26.4	Very low	29.4	Very low	133 Å²	133	136.3 Å²	136.3	82%	0.816	78%	0.777	S	S	*	*			trans	-96.9	149.2	-176.8	41.9	0	0	0	0	112.3
536	G	30.7	Very low	29.4	Very low	67 Å²	67	141.1 Å²	141.1	69%	0.691	78%	0.784	S	S	*	*			trans	-171.1	67.6	-177.3	0	0	0	0	0	116.9
537	T	31.3	Very low	29.7	Very low	136 Å²	136	140 Å²	140	83%	0.834	79%	0.785	S	S	*	*			trans	47.3	105.6	138.3	54.7	0	0	0	0	122.9
538	K	26.6	Very low	29.4	Very low	194 Å²	194	138.9 Å²	138.9	84%	0.843	79%	0.791	S	S	*	*			trans	28.2	131.6	131.7	-62.6	177	178.1	175.3	0	120.2
539	F	30.5	Very low	29.7	Very low	204 Å²	204	139.8 Å²	139.8	90%	0.895	79%	0.792	S	S	*	*				-153.7	153.4	120.3	-102.2	-70.5	0	0	0	114.1
540	K	30.8	Very low	29.3	Very low	188 Å²	188	141.4 Å²	141.4	82%	0.817	80%	0.795	S	S	*	*			trans	-49	171.4	175	-73	173	176.9	-179.3	0	115.6
541	H	30.2	Very low	29.2	Very low	155 Å²	155	141.8 Å²	141.8	72%	0.718	79%	0.793	S	S	*	*			cis	173.6	137.8	-19.1	179.8	-85.2	0	0	0	106.1
542	N	30.6	Very low	29	Very low	157 Å²	157	141.9 Å²	141.9	84%	0.84	79%	0.792	S	S	*	*			trans	172.6	137	139.8	-89.4	-8.1	0	0	0	112.3
543	S	25.9	Very low	28.9	Very low	84 Å²	84	144.8 Å²	144.8	59%	0.587	79%	0.793	S	S	*	*			trans	-108.8	150.5	-179.8	-166	0	0	0	0	110.7	D545	S543-D545 PolarHBondContact OG-OD2 2.88Å
544	V	32.3	Very low	28.9	Very low	133 Å²	133	146.6 Å²	146.6	81%	0.806	79%	0.793	S	S	*	*			trans	-143	115.1	154.5	-176.2	0	0	0	0	108	Y546	V544-Y546 HydrophobicContact CG1-CE2 4.47Å
545	D	26.9	Very low	28.8	Very low	130 Å²	130	145.5 Å²	145.5	70%	0.695	79%	0.792	S	S	*	*			trans	-88.8	149.2	179.2	-64.7	-81.6	0	0	0	112.4	S543	S543-D545 PolarHBondContact OG-OD2 2.88Å
546	Y	31.3	Very low	28.8	Very low	223 Å²	223	145.9 Å²	145.9	88%	0.875	78%	0.784	S	S	*	*			trans	-145	148.5	153.8	-90.1	-76.5	0	0	0	110.7	V544	V544-Y546 HydrophobicContact CG1-CE2 4.47Å
547	P	31	Very low	28.8	Very low	114 Å²	114	148.6 Å²	148.6	74%	0.74	79%	0.787	S	S	*	*			trans	-95.6	157.8	-153.8	36.5	-36.8	0	0	0	115.9
548	S	25.5	Very low	28.6	Very low	125 Å²	125	150.1 Å²	150.1	87%	0.874	78%	0.782	S	S	*	*			trans	-76.9	141.9	168.7	-65.1	0	0	0	0	112.9
549	T	30.1	Very low	28.9	Very low	126 Å²	126	149.4 Å²	149.4	77%	0.773	78%	0.781	S	S	*	*			trans	-134.9	117.4	161.5	49.6	0	0	0	0	110.4
550	D	25.5	Very low	28.9	Very low	169 Å²	169	146.5 Å²	146.5	90%	0.904	78%	0.781	S	S	*	*			trans	-68.6	130.3	167.4	-85.3	-52	0	0	0	110.7
551	V	27.5	Very low	28.8	Very low	114 Å²	114	144.2 Å²	144.2	69%	0.691	78%	0.783	S	S	*	*			trans	-141.1	117.5	162.9	-175.8	0	0	0	0	110.5
552	T	27.3	Very low	28.9	Very low	128 Å²	128	148.5 Å²	148.5	79%	0.785	79%	0.792	S	S	*	*			trans	-69.6	137.7	171.6	-42.7	0	0	0	0	110.9
553	F	28.5	Very low	29	Very low	197 Å²	197	146.2 Å²	146.2	86%	0.864	79%	0.789	S	S	*	*			trans	-115.2	111.5	168.7	-111.3	-88.8	0	0	0	111.6
554	Q	27.2	Very low	29.3	Very low	160 Å²	160	146.4 Å²	146.4	75%	0.748	80%	0.795	S	S	*	*			trans	-82.4	143.2	160.2	-73.2	-177.4	-14.4	0	0	109.2
555	S	28.2	Very low	29.3	Very low	119 Å²	119	145.2 Å²	145.2	83%	0.832	79%	0.791	S	S	*	*			trans	-97.7	122.4	164.3	-176.4	0	0	0	0	109.1
556	Q	25.8	Very low	29.5	Very low	140 Å²	140	146 Å²	146	65%	0.654	79%	0.794	S	S	*	*			trans	-130.3	128.4	162.6	-76.3	-161.7	4	0	0	109.2
557	V	31.9	Very low	29.4	Very low	125 Å²	125	143 Å²	143	76%	0.758	79%	0.792	S	S	*	*			trans	-127.2	119.9	157	179.7	0	0	0	0	106.9
558	K	27.7	Very low	29.3	Very low	168 Å²	168	142.2 Å²	142.2	73%	0.73	79%	0.789	S	S	*	*			trans	-94.4	141.7	176.8	-70.8	175.7	176.8	174.7	0	109.6
559	H	32	Very low	29.7	Very low	178 Å²	178	144.4 Å²	144.4	82%	0.824	79%	0.786	S	S	*	*			trans	-130.1	135	155.4	-76.8	-73.8	0	0	0	109.9
560	T	30.7	Very low	29.7	Very low	143 Å²	143	145 Å²	145	88%	0.877	78%	0.777	S	S	*	*			trans	-105.8	145.1	-179.3	29.8	0	0	0	0	111.1
561	T	29.5	Very low	30.1	Very low	140 Å²	140	144.8 Å²	144.8	86%	0.859	78%	0.776	S	S	*	*			trans	-105.1	156	-170.8	37.6	0	0	0	0	113.2
562	R	31.9	Very low	30.3	Very low	245 Å²	245	146.4 Å²	146.4	93%	0.925	78%	0.776	S	S	*	*			trans	-152.3	133	147.8	-150.2	166.5	175.6	178.6	-3.8	113.6
563	S	31.7	Very low	30.6	Very low	110 Å²	110	146.9 Å²	146.9	77%	0.769	78%	0.778	S	S	*	*			trans	-47	169.9	174.5	18.7	0	0	0	0	117.7
564	A	32.4	Very low	30.7	Very low	87 Å²	87	143.6 Å²	143.6	72%	0.719	77%	0.77	S	S	*	*			cis	-175.5	-154.7	-9	0	0	0	0	0	109.2
565	P	32.2	Very low	31	Very low	109 Å²	109	147.4 Å²	147.4	71%	0.708	78%	0.779	S	S	*	*				-137.4	178.6	-82.3	42.6	-26.3	0	0	0	119.1
566	L	30.7	Very low	31.2	Very low	147 Å²	147	149.9 Å²	149.9	77%	0.77	78%	0.777	S	S	*	*			trans	95.5	149.5	133.5	-95.4	160.3	0	0	0	126.4
567	L	29.3	Very low	31.4	Very low	159 Å²	159	150.1 Å²	150.1	83%	0.832	79%	0.789	S	S	*	*			trans	96.8	107.4	171.8	-59.9	167.6	0	0	0	116.1
568	S	30.6	Very low	31.2	Very low	97 Å²	97	149.9 Å²	149.9	68%	0.678	79%	0.787	S	S	*	*				76.1	132.1	51.7	-152.3	0	0	0	0	112.4
569	E	32.1	Very low	31.3	Very low	172 Å²	172	148.3 Å²	148.3	80%	0.804	79%	0.792	S	S	*	*			cis	-150.4	-164.9	32.7	-80.9	-170.9	118.3	0	0	111.2
570	K	31.8	Very low	31.1	Very low	137 Å²	137	145.4 Å²	145.4	60%	0.596	79%	0.787	S	S	*	*				-177.7	148.7	-51.7	-168.5	176	-167.7	173	0	108.4
571	L	33	Very low	31.1	Very low	165 Å²	165	146.1 Å²	146.1	86%	0.864	79%	0.785	S	S	*	*			trans	156.4	154.4	143.9	-85.5	161.4	0	0	0	114.5
572	E	30.8	Very low	31.1	Very low	149 Å²	149	146.5 Å²	146.5	70%	0.696	78%	0.781	S	S	*	*			trans	-114.7	174.5	-158.6	-54.5	165.9	124.1	0	0	112.7
573	T	34.5	Very low	30.8	Very low	137 Å²	137	139.7 Å²	139.7	84%	0.84	78%	0.778	S	S	*	*				-175.1	164.1	88	28	0	0	0	0	113.7
574	N	31.4	Very low	30.8	Very low	129 Å²	129	140.9 Å²	140.9	69%	0.69	78%	0.781	S	S	*	*			trans	-88.7	171.9	-164	-60.6	-62.1	0	0	0	116.3
575	Y	33.4	Very low	30.5	Very low	239 Å²	239	143 Å²	143	94%	0.937	78%	0.784	S	S	*	*				-156.8	154.3	122.8	-87.1	-62.1	0	0	0	112.3
576	H	32.1	Very low	30.5	Very low	172 Å²	172	143.7 Å²	143.7	80%	0.796	79%	0.787	S	S	*	*			trans	-115.8	155.4	-176.4	-84.4	-27	0	0	0	112.6
577	T	31	Very low	30.3	Very low	145 Å²	145	144.1 Å²	144.1	89%	0.89	79%	0.79	S	S	*	*			trans	-153.1	144.9	141.8	-49.9	0	0	0	0	111
578	T	27.4	Very low	30.5	Very low	119 Å²	119	142.9 Å²	142.9	73%	0.73	79%	0.79	S	S	*	*			trans	-110.2	149.7	-174.7	-51.5	0	0	0	0	111.3
579	T	30	Very low	30.7	Very low	136 Å²	136	144.4 Å²	144.4	83%	0.834	79%	0.794	S	S	*	*			trans	-151.8	143.8	153.6	-65.8	0	0	0	0	111.3
580	T	26	Very low	30.7	Very low	117 Å²	117	140.3 Å²	140.3	72%	0.718	78%	0.784	S	S	*	*			trans	-88.5	164.1	-175.9	43.8	0	0	0	0	113.6
581	L	30.9	Very low	30.9	Very low	158 Å²	158	139.8 Å²	139.8	83%	0.827	79%	0.793	S	S	*	*			trans	-171.4	114.4	142.4	-104.8	165.3	0	0	0	114.7
582	N	29.5	Very low	30.9	Very low	147 Å²	147	137.7 Å²	137.7	79%	0.786	79%	0.787	S	S	*	*			trans	33.2	148	141.8	-60.3	-3.7	0	0	0	125.3
583	A	26.1	Very low	31.3	Very low	103 Å²	103	137.4 Å²	137.4	85%	0.851	79%	0.786	S	S	*	*			trans	-82.2	162.1	-179.9	0	0	0	0	0	114.6
584	T	31	Very low	31.5	Very low	135 Å²	135	133.6 Å²	133.6	83%	0.828	77%	0.774	S	S	*	*			trans	-124.1	135.7	177.8	-59.7	0	0	0	0	111.5
585	T	27.4	Very low	32	Very low	130 Å²	130	128.5 Å²	128.5	80%	0.798	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-84.4	133.8	176	-48.6	0	0	0	0	111
586	T	31	Very low	32.2	Very low	124 Å²	124	122.7 Å²	122.7	76%	0.761	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-97.1	122.2	176.3	48.2	0	0	0	0	112.2
587	N	27.7	Very low	32.9	Very low	157 Å²	157	118.3 Å²	118.3	84%	0.84	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-101.9	128.8	164.9	-75.9	-19	0	0	0	109.4
588	T	33	Very low	33.6	Very low	133 Å²	133	113.1 Å²	113.1	82%	0.816	68%	0.681	S	S	*	*			trans	-110.8	134.5	175.8	40.8	0	0	0	0	110.7
589	V	34.4	Very low	34.5	Very low	129 Å²	129	109.6 Å²	109.6	78%	0.782	66%	0.658	S	S	*	*			trans	-135.2	107.4	-177	175.4	0	0	0	0	111.5
590	S	31.8	Very low	35.5	Very low	85 Å²	85	106.9 Å²	106.9	59%	0.594	64%	0.637	S	S	*	*			trans	41.1	115.7	152.3	66.3	0	0	0	0	122.1
591	T	35.9	Very low	36.7	Very low	127 Å²	127	106.5 Å²	106.5	78%	0.779	62%	0.622	S	S	*	*			trans	-127.8	73.5	155.6	36.6	0	0	0	0	110.9	Q593	T591-Q593 PolarHBondContact O-N 3.44Å
592	T	34	Very low	37.7	Very low	121 Å²	121	99.8 Å²	99.8	74%	0.742	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	17.7	-155.9	43.9	0	0	0	0	117.7
593	Q	38.3	Very low	38.7	Very low	143 Å²	143	96.1 Å²	96.1	67%	0.668	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	-26.1	178.3	-140.4	163.2	-19.5	0	0	114.9	T591	T591-Q593 PolarHBondContact O-N 3.44Å
594	G	38.8	Very low	39.9	Very low	56 Å²	56	99.1 Å²	99.1	58%	0.577	56%	0.56	S	S	*	*	H	α-helix	trans	-78.9	-40.3	168.7	0	0	0	0	0	113.3	L596 D597 Q598	G594-L596 PolarHBondContact O-N 2.9Å; G594-D597 PolarHBondContact O-N 3.35Å; G594-Q598 PolarHBondContact O-N 2.91Å
595	S	43.2	Very low	40.9	Very low	23 Å²	23	93.5 Å²	93.5	16%	0.161	53%	0.525	C	S	.	.	H	α-helix	trans	-62.1	-42	-175.4	-174	0	0	0	0	113.1	D109 D597 Q598 N599	D109-S595 VanDerWaalsContact OD2-CB 3.22Å; D109-S595 WeakPolarHBondContact OD2-CB 3.39Å; D109-S595 PolarHBondContact OD2-OG 3.18Å; S595-D597 VanDerWaalsContact C-N 3.3Å; S595-D597 PolarHBondContact O-N 3.45Å; S595-Q598 PolarHBondContact O-N 3.31Å; S595-Q598 VanDerWaalsContact O-N 3.11Å; S595-N599 PolarHBondContact O-N 3.09Å; S595-N599 PolarHBondContact O-ND2 3.12Å; S595-N599 PolarHBondContact O-OD1 3.26Å; S595-N599 PolarHBondContact OG-ND2 3.3Å
596	L	37.4	Very low	42.1	Very low	116 Å²	116	87.9 Å²	87.9	61%	0.607	49%	0.491	S	S	*	.	H	α-helix	trans	-58.6	-42.1	-178.7	-171.6	69.4	0	0	0	112.4	G594 N599 I600	G594-L596 PolarHBondContact O-N 2.9Å; L596-N599 PolarHBondContact O-N 2.77Å; L596-I600 HydrophobicContact CG-CD1 4.43Å; L596-I600 WeakPolarHBondContact O-CG1 3.35Å; L596-I600 PolarHBondContact O-N 2.65Å
597	D	45.3	Very low	42.9	Very low	80 Å²	80	84 Å²	84	43%	0.428	47%	0.471	S	S	.	.	H	α-helix	trans	-73.2	-32	-178.9	-139.9	42	0	0	0	111.2	G594 S595 R601	G594-D597 PolarHBondContact O-N 3.35Å; S595-D597 VanDerWaalsContact C-N 3.3Å; S595-D597 PolarHBondContact O-N 3.45Å; D597-R601 WeakPolarHBondContact O-CB 3.37Å; D597-R601 WeakPolarHBondContact O-CD 3.23Å; D597-R601 WeakPolarHBondContact O-CG 3.46Å; D597-R601 PolarHBondContact O-N 3.29Å; D597-R601 VanDerWaalsContact O-N 3.12Å; D597-R601 IonicContact OD2-CZ 3.84Å; D597-R601 VanDerWaalsContact OD2-CZ 3.26Å; D597-R601 IonicContact OD2-NE 3.77Å; D597-R601 PolarHBondContact OD2-NE 2.88Å; D597-R601 IonicContact OD2-NH2 2.66Å; D597-R601 PolarHBondContact OD2-NH2 2.66Å
598	Q	45.9	Very low	44.1	Very low	37 Å²	37	80.6 Å²	80.6	17%	0.173	45%	0.451	C	S	.	.	H	α-helix	trans	-68.6	-41.3	172.6	-174.5	147.6	-15.7	0	0	112.3	N70 G594 S595 R601 M602	N70-Q598 PolarHBondContact ND2-NE2 3.23Å; G594-Q598 PolarHBondContact O-N 2.91Å; S595-Q598 PolarHBondContact O-N 3.31Å; S595-Q598 VanDerWaalsContact O-N 3.11Å; Q598-R601 PolarHBondContact O-N 3.22Å; Q598-R601 VanDerWaalsContact O-N 3.17Å; Q598-M602 PolarHBondContact O-N 2.81Å
599	N	46.8	Very low	44.8	Very low	45 Å²	45	75.7 Å²	75.7	24%	0.241	42%	0.42	C	S	.	.	H	α-helix	trans	-62.9	-44.1	177.7	-64.6	-19.9	0	0	0	111.8	G108 S595 L596 R601 T603	G108-N599 WeakPolarHBondContact CA-OD1 3.39Å; S595-N599 PolarHBondContact O-N 3.09Å; S595-N599 PolarHBondContact O-ND2 3.12Å; S595-N599 PolarHBondContact O-OD1 3.26Å; S595-N599 PolarHBondContact OG-ND2 3.3Å; L596-N599 PolarHBondContact O-N 2.77Å; N599-R601 VanDerWaalsContact C-N 3.33Å; N599-R601 PolarHBondContact O-N 2.8Å; N599-T603 VanDerWaalsContact O-CB 3.3Å; N599-T603 WeakPolarHBondContact O-CB 3.48Å; N599-T603 PolarHBondContact O-N 2.93Å; N599-T603 PolarHBondContact O-OG1 3.38Å
600	I	51.2	Low	45.4	Very low	79 Å²	79	72.2 Å²	72.2	41%	0.405	40%	0.397	S	S	.	.	H	α-helix	trans	-63.3	-38.9	174.2	-66.4	168.2	0	0	0	111.1	L596 R604	L596-I600 HydrophobicContact CG-CD1 4.43Å; L596-I600 WeakPolarHBondContact O-CG1 3.35Å; L596-I600 PolarHBondContact O-N 2.65Å; I600-R604 VanDerWaalsContact O-CB 3.32Å; I600-R604 WeakPolarHBondContact O-CB 3.43Å; I600-R604 WeakPolarHBondContact O-CG 3.33Å; I600-R604 PolarHBondContact O-N 3.42Å
601	R	50.9	Low	46.2	Very low	108 Å²	108	75.8 Å²	75.8	41%	0.408	40%	0.402	S	S	.	.	H	α-helix	trans	-70.3	-43.9	179.2	-72.1	163.5	-166.6	-165	3.1	112.7	D597 Q598 N599 R604 S605	D597-R601 WeakPolarHBondContact O-CB 3.37Å; D597-R601 WeakPolarHBondContact O-CD 3.23Å; D597-R601 WeakPolarHBondContact O-CG 3.46Å; D597-R601 PolarHBondContact O-N 3.29Å; D597-R601 VanDerWaalsContact O-N 3.12Å; D597-R601 IonicContact OD2-CZ 3.84Å; D597-R601 VanDerWaalsContact OD2-CZ 3.26Å; D597-R601 IonicContact OD2-NE 3.77Å; D597-R601 PolarHBondContact OD2-NE 2.88Å; D597-R601 IonicContact OD2-NH2 2.66Å; D597-R601 PolarHBondContact OD2-NH2 2.66Å; Q598-R601 PolarHBondContact O-N 3.22Å; Q598-R601 VanDerWaalsContact O-N 3.17Å; N599-R601 VanDerWaalsContact C-N 3.33Å; N599-R601 PolarHBondContact O-N 2.8Å; R601-R604 PolarHBondContact O-N 3.26Å; R601-S605 PolarHBondContact O-N 3Å
602	M	53	Low	46.8	Very low	17 Å²	17	77 Å²	77	8%	0.084	39%	0.392	C	S	.	.	H	α-helix	trans	-65.8	-44.5	177.6	-166.4	165.5	-60.9	0	0	110.6	L67 F72 N73 L76 A104 A105 Q598 R604 S605 V606	L67-M602 HydrophobicContact CD2-CE 4.35Å; F72-M602 HydrophobicContact CD1-CE 4.08Å; F72-M602 HydrophobicContact CE1-CE 3.57Å; F72-M602 HydrophobicContact CE1-SD 3.78Å; F72-M602 HydrophobicContact CZ-SD 4.33Å; N73-M602 WeakPolarHBondContact OD1-CE 3.45Å; L76-M602 HydrophobicContact CD2-SD 4.49Å; A104-M602 HydrophobicContact CB-SD 4.21Å; A105-M602 HydrophobicContact CB-CG 4.21Å; Q598-M602 PolarHBondContact O-N 2.81Å; M602-R604 VanDerWaalsContact C-N 3.31Å; M602-R604 PolarHBondContact O-N 3.18Å; M602-S605 PolarHBondContact O-N 3.46Å; M602-V606 HydrophobicContact CG-CG2 4.21Å; M602-V606 WeakPolarHBondContact O-CB 3.37Å; M602-V606 WeakPolarHBondContact O-CG2 3.27Å; M602-V606 PolarHBondContact O-N 3.19Å
603	T	50.3	Low	47.2	Very low	70 Å²	70	73.8 Å²	73.8	43%	0.429	37%	0.37	S	S	.	.	H	α-helix	trans	-55.1	-45.5	170.7	-58.1	0	0	0	0	111.5	A105 N599 A607	A105-T603 PolarHBondContact O-OG1 3.25Å; N599-T603 VanDerWaalsContact O-CB 3.3Å; N599-T603 WeakPolarHBondContact O-CB 3.48Å; N599-T603 PolarHBondContact O-N 2.93Å; N599-T603 PolarHBondContact O-OG1 3.38Å; T603-A607 WeakPolarHBondContact O-CB 3.42Å; T603-A607 PolarHBondContact O-N 3.45Å
604	R	50.5	Low	47.4	Very low	167 Å²	167	73.4 Å²	73.4	63%	0.63	37%	0.372	S	S	*	.	H	α-helix	trans	-66.3	-44	178	-84.5	177.7	162.1	173.6	-4.4	113.5	I600 R601 M602 M608	I600-R604 VanDerWaalsContact O-CB 3.32Å; I600-R604 WeakPolarHBondContact O-CB 3.43Å; I600-R604 WeakPolarHBondContact O-CG 3.33Å; I600-R604 PolarHBondContact O-N 3.42Å; R601-R604 PolarHBondContact O-N 3.26Å; M602-R604 VanDerWaalsContact C-N 3.31Å; M602-R604 PolarHBondContact O-N 3.18Å; R604-M608 VanDerWaalsContact O-CB 3.28Å; R604-M608 WeakPolarHBondContact O-CB 3.46Å; R604-M608 WeakPolarHBondContact O-CG 3.49Å; R604-M608 PolarHBondContact O-N 3.46Å
605	S	52.7	Low	47.3	Very low	16 Å²	16	74.5 Å²	74.5	11%	0.112	37%	0.371	C	S	.	.	H	α-helix	trans	-66.2	-50.9	177.7	176.2	0	0	0	0	110.7	D64 R601 M602 A607 M608 L609	D64-S605 PolarHBondContact O-OG 2.62Å; R601-S605 PolarHBondContact O-N 3Å; M602-S605 PolarHBondContact O-N 3.46Å; S605-A607 PolarHBondContact O-N 3.21Å; S605-M608 PolarHBondContact O-N 3.43Å; S605-L609 WeakPolarHBondContact O-CB 3.34Å; S605-L609 PolarHBondContact O-N 3.16Å
606	V	51.1	Low	46.8	Very low	13 Å²	13	75.8 Å²	75.8	8%	0.079	39%	0.388	C	S	.	.	H	α-helix	trans	-61.3	-43.3	178.7	175.4	0	0	0	0	111.1	A105 M602 L609 L610	A105-V606 HydrophobicContact CB-CB 4.28Å; A105-V606 HydrophobicContact CB-CG1 4.45Å; A105-V606 HydrophobicContact CB-CG2 4.23Å; M602-V606 HydrophobicContact CG-CG2 4.21Å; M602-V606 WeakPolarHBondContact O-CB 3.37Å; M602-V606 WeakPolarHBondContact O-CG2 3.27Å; M602-V606 PolarHBondContact O-N 3.19Å; V606-L609 PolarHBondContact O-N 2.97Å; V606-L610 HydrophobicContact CG1-CD1 3.79Å; V606-L610 HydrophobicContact CG1-CG 4.31Å; V606-L610 VanDerWaalsContact O-CB 3.3Å; V606-L610 WeakPolarHBondContact O-CB 3.49Å; V606-L610 VanDerWaalsContact O-CG 3.22Å; V606-L610 WeakPolarHBondContact O-CG 3.41Å; V606-L610 PolarHBondContact O-N 3.09Å
607	A	47.8	Very low	46.6	Very low	41 Å²	41	75.8 Å²	75.8	34%	0.339	40%	0.395	S	S	.	.	H	α-helix	trans	-68.9	-37.5	177.3	0	0	0	0	0	113.5	T603 S605 K611	T603-A607 WeakPolarHBondContact O-CB 3.42Å; T603-A607 PolarHBondContact O-N 3.45Å; S605-A607 PolarHBondContact O-N 3.21Å; A607-K611 VanDerWaalsContact O-CB 3.31Å; A607-K611 WeakPolarHBondContact O-CB 3.25Å; A607-K611 WeakPolarHBondContact O-CG 3.45Å; A607-K611 PolarHBondContact O-N 3.31Å
608	M	53.5	Low	45.8	Very low	86 Å²	86	79.7 Å²	79.7	42%	0.424	42%	0.416	S	S	.	.	H	α-helix	trans	-70.6	-37.3	174	-75.5	-164	-64.9	0	0	111.8	R604 S605 K611 R612	R604-M608 VanDerWaalsContact O-CB 3.28Å; R604-M608 WeakPolarHBondContact O-CB 3.46Å; R604-M608 WeakPolarHBondContact O-CG 3.49Å; R604-M608 PolarHBondContact O-N 3.46Å; S605-M608 PolarHBondContact O-N 3.43Å; M608-K611 PolarHBondContact O-N 2.85Å; M608-R612 WeakPolarHBondContact O-CB 3.18Å; M608-R612 PolarHBondContact O-N 3.34Å
609	L	48	Very low	45.1	Very low	30 Å²	30	85.8 Å²	85.8	16%	0.157	45%	0.448	C	S	.	.	H	α-helix	trans	-65.9	-45.3	175.3	-170.6	67.9	0	0	0	111	K25 L65 S605 V606 R612 I613	K25-L609 HydrophobicContact CD-CD2 3.93Å; L65-L609 HydrophobicContact CD2-CD1 4.35Å; S605-L609 WeakPolarHBondContact O-CB 3.34Å; S605-L609 PolarHBondContact O-N 3.16Å; V606-L609 PolarHBondContact O-N 2.97Å; L609-R612 PolarHBondContact O-N 3.34Å; L609-I613 HydrophobicContact CD1-CD1 4.11Å; L609-I613 HydrophobicContact CG-CD1 3.87Å; L609-I613 VanDerWaalsContact O-CB 3.29Å; L609-I613 WeakPolarHBondContact O-CB 3.38Å; L609-I613 WeakPolarHBondContact O-CD1 3.41Å; L609-I613 WeakPolarHBondContact O-CG1 3.43Å; L609-I613 PolarHBondContact O-N 3Å
610	L	46.5	Very low	44.3	Very low	56 Å²	56	93.8 Å²	93.8	29%	0.293	48%	0.475	S	S	.	.	H	α-helix	trans	-62.8	-45	173.8	-73.3	170.2	0	0	0	111.7	V606 I613 N614	V606-L610 HydrophobicContact CG1-CD1 3.79Å; V606-L610 HydrophobicContact CG1-CG 4.31Å; V606-L610 VanDerWaalsContact O-CB 3.3Å; V606-L610 WeakPolarHBondContact O-CB 3.49Å; V606-L610 VanDerWaalsContact O-CG 3.22Å; V606-L610 WeakPolarHBondContact O-CG 3.41Å; V606-L610 PolarHBondContact O-N 3.09Å; L610-I613 PolarHBondContact O-N 2.91Å; L610-N614 WeakPolarHBondContact O-CB 3.47Å; L610-N614 VanDerWaalsContact O-CG 3.23Å; L610-N614 PolarHBondContact O-N 3.13Å; L610-N614 PolarHBondContact O-ND2 3.28Å
611	K	49.6	Very low	43.1	Very low	160 Å²	160	95.3 Å²	95.3	70%	0.696	49%	0.493	S	S	*	.	H	α-helix	trans	-60.3	-49.1	174.6	-81.6	-177.2	174.7	-178.5	0	111.9	A607 M608 I613 N614 S615	A607-K611 VanDerWaalsContact O-CB 3.31Å; A607-K611 WeakPolarHBondContact O-CB 3.25Å; A607-K611 WeakPolarHBondContact O-CG 3.45Å; A607-K611 PolarHBondContact O-N 3.31Å; M608-K611 PolarHBondContact O-N 2.85Å; K611-I613 VanDerWaalsContact C-N 3.33Å; K611-I613 PolarHBondContact O-N 3.45Å; K611-N614 PolarHBondContact O-N 3.31Å; K611-S615 WeakPolarHBondContact O-CB 3.43Å; K611-S615 PolarHBondContact O-N 3.09Å; K611-S615 PolarHBondContact O-OG 3.14Å; K611-S615 VanDerWaalsContact O-OG 3.06Å
612	R	48.5	Very low	42.3	Very low	152 Å²	152	97.9 Å²	97.9	57%	0.574	51%	0.51	S	S	*	.	H	α-helix	trans	-68.6	-28.6	-177.1	-167.7	-179.4	-85	163.3	-5.6	112.8	D64 M608 L609 S615	D64-R612 IonicContact OD2-NH1 3.67Å; M608-R612 WeakPolarHBondContact O-CB 3.18Å; M608-R612 PolarHBondContact O-N 3.34Å; L609-R612 PolarHBondContact O-N 3.34Å; R612-S615 WeakPolarHBondContact CA-OG 3.5Å; R612-S615 PolarHBondContact O-OG 2.91Å
613	I	43	Very low	41.3	Very low	54 Å²	54	102.2 Å²	102.2	28%	0.277	54%	0.542	S	S	.	.	H	α-helix	trans	-76.2	-38.3	172.4	-71.3	169.6	0	0	0	111.7	L609 L610 K611	L609-I613 HydrophobicContact CD1-CD1 4.11Å; L609-I613 HydrophobicContact CG-CD1 3.87Å; L609-I613 VanDerWaalsContact O-CB 3.29Å; L609-I613 WeakPolarHBondContact O-CB 3.38Å; L609-I613 WeakPolarHBondContact O-CD1 3.41Å; L609-I613 WeakPolarHBondContact O-CG1 3.43Å; L609-I613 PolarHBondContact O-N 3Å; L610-I613 PolarHBondContact O-N 2.91Å; K611-I613 VanDerWaalsContact C-N 3.33Å; K611-I613 PolarHBondContact O-N 3.45Å
614	N	40.6	Very low	40.6	Very low	135 Å²	135	107.1 Å²	107.1	72%	0.722	56%	0.564	S	S	*	*	H	α-helix	trans	-76.3	-25.1	177.6	-69	-15.3	0	0	0	112.5	L610 K611 G616	L610-N614 WeakPolarHBondContact O-CB 3.47Å; L610-N614 VanDerWaalsContact O-CG 3.23Å; L610-N614 PolarHBondContact O-N 3.13Å; L610-N614 PolarHBondContact O-ND2 3.28Å; K611-N614 PolarHBondContact O-N 3.31Å; N614-G616 VanDerWaalsContact C-N 3.32Å; N614-G616 PolarHBondContact O-N 3.45Å
615	S	38.4	Very low	39.9	Very low	80 Å²	80	110.6 Å²	110.6	56%	0.559	58%	0.577	S	S	*	*	S	Bend	trans	-89.9	58.2	170.8	71.1	0	0	0	0	111.9	K611 R612	K611-S615 WeakPolarHBondContact O-CB 3.43Å; K611-S615 PolarHBondContact O-N 3.09Å; K611-S615 PolarHBondContact O-OG 3.14Å; K611-S615 VanDerWaalsContact O-OG 3.06Å; R612-S615 WeakPolarHBondContact CA-OG 3.5Å; R612-S615 PolarHBondContact O-OG 2.91Å
616	G	32.8	Very low	39.2	Very low	49 Å²	49	113.3 Å²	113.3	51%	0.505	61%	0.608	S	S	.	*			trans	-63.2	136.7	172.5	0	0	0	0	0	111.4	N614 N618	N614-G616 VanDerWaalsContact C-N 3.32Å; N614-G616 PolarHBondContact O-N 3.45Å; G616-N618 PolarHBondContact O-N 2.85Å
617	P	32.7	Very low	38.4	Very low	116 Å²	116	126.4 Å²	126.4	75%	0.753	66%	0.664	S	S	*	*			trans	-68	120	174.7	27.3	-32.5	0	0	0	110.1	L619	P617-L619 VanDerWaalsContact C-N 3.3Å; P617-L619 PolarHBondContact O-N 3.02Å
618	N	27.9	Very low	37.9	Very low	163 Å²	163	130.7 Å²	130.7	87%	0.872	68%	0.68	S	S	*	*			trans	-65.7	85.5	170	-98.4	-53.5	0	0	0	110.3	G616 R620	G616-N618 PolarHBondContact O-N 2.85Å; N618-R620 PolarHBondContact O-N 3.31Å
619	L	30.9	Very low	37.1	Very low	164 Å²	164	133 Å²	133	86%	0.859	69%	0.693	S	S	*	*			trans	-91.6	93.9	164.1	-78.2	171.3	0	0	0	109	P617	P617-L619 VanDerWaalsContact C-N 3.3Å; P617-L619 PolarHBondContact O-N 3.02Å
620	R	29.8	Very low	36.5	Very low	213 Å²	213	138.7 Å²	138.7	80%	0.804	72%	0.723	S	S	*	*			trans	-52.9	137.5	173.6	-94.4	-178.2	169.8	-179.8	-2.7	111.1	N618 H622	N618-R620 PolarHBondContact O-N 3.31Å; R620-H622 PolarHBondContact O-N 3.46Å
621	S	27.5	Very low	35.9	Very low	112 Å²	112	143.6 Å²	143.6	78%	0.783	75%	0.748	S	S	*	*			trans	-57.6	125.6	159.8	42	0	0	0	0	110.8
622	H	33.9	Very low	35	Very low	162 Å²	162	142.6 Å²	142.6	75%	0.75	75%	0.752	S	S	*	*			trans	-126.6	95.1	156.8	-90.1	-77.2	0	0	0	109.3	R620 L624	R620-H622 PolarHBondContact O-N 3.46Å; H622-L624 PolarHBondContact O-N 3.49Å
623	S	30.5	Very low	34.1	Very low	108 Å²	108	141.9 Å²	141.9	76%	0.755	76%	0.763	S	S	*	*			trans	-63.8	123.5	160.8	173.9	0	0	0	0	108.9
624	L	37.4	Very low	33.5	Very low	173 Å²	173	148.2 Å²	148.2	91%	0.906	80%	0.798	S	S	*	*			trans	-135.9	146.1	153.1	-85.7	-179.5	0	0	0	109.8	H622	H622-L624 PolarHBondContact O-N 3.49Å
625	R	35	Very low	33	Very low	239 Å²	239	149.2 Å²	149.2	90%	0.902	80%	0.804	S	S	*	*			trans	-125.6	122.7	-153.2	-177.5	-170.6	-167.8	-149.1	7.4	109.1
626	G	38.7	Very low	32.5	Very low	73 Å²	73	155 Å²	155	75%	0.753	82%	0.824	S	S	*	*			trans	73.2	106.6	161	0	0	0	0	0	117.3
627	K	33.1	Very low	32.5	Very low	288 Å²	288	164.6 Å²	164.6	100%	1.252	85%	0.853	S	S	*	*				-151.5	0	94.8	-103.2	-177.7	178.6	-178.5	0	110

Retrieved 627 of 627 residues in 142.8 ms (Link to these results)

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