A0A060VU50_ONCMY Loading...

Sorting nexin

AlphaFold DB , UniProt , Accession A0A060VU50, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene snx33, Length 558 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	53.4	Low	85.5	Confident	220 Å²	220	76.2 Å²	76.2	100%	1.084	38%	0.379	S	S	*	.				0	133.3	0	-76.3	-179.9	-94.9	0	0	106.2
2	S	66.9	Low	86.1	Confident	87 Å²	87	82.5 Å²	82.5	61%	0.608	41%	0.406	S	S	*	.			trans	-71.3	133.9	172.9	40.2	0	0	0	0	109.8	I29	S2-I29 WeakPolarHBondContact CA-O 3.31Å
3	M	86.1	Confident	86.3	Confident	40 Å²	40	79.5 Å²	79.5	20%	0.197	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	157.4	174.6	-58.6	179.3	-68.9	0	0	109.6	I29 D32 V58	M3-I29 HydrophobicContact CB-CB 4.45Å; M3-I29 HydrophobicContact CE-CB 4.43Å; M3-I29 HydrophobicContact CE-CG2 3.94Å; M3-I29 PolarHBondContact N-O 3.45Å; M3-I29 PolarHBondContact O-N 2.89Å; M3-D32 HydrophobicContact CE-CB 3.41Å; M3-D32 VanDerWaalsContact CE-CB 3.41Å; M3-D32 HydrophobicContact SD-CB 4.32Å; M3-V58 HydrophobicContact CB-CG1 4.28Å; M3-V58 HydrophobicContact CE-CG1 4.15Å; M3-V58 HydrophobicContact SD-CG1 3.97Å
4	K	90.3	Very high	85.7	Confident	112 Å²	112	86.7 Å²	86.7	49%	0.487	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	139.2	167.3	-73.5	-164.2	163.7	-143.8	0	109.6	E26 I59	K4-E26 IonicContact NZ-OE2 3.22Å; K4-E26 PolarHBondContact NZ-OE2 2.88Å; K4-I59 HydrophobicContact CB-CB 4.43Å; K4-I59 WeakPolarHBondContact O-CA 3.06Å; K4-I59 PolarHBondContact O-N 2.88Å
5	G	91.4	Very high	85.5	Confident	1 Å²	1	87.5 Å²	87.5	1%	0.01	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	164.6	167.1	0	0	0	0	0	110.8	L27 E57	G5-L27 PolarHBondContact N-O 2.78Å; G5-L27 PolarHBondContact O-N 3.18Å; G5-E57 CarbonylContact C-O 3.58Å; G5-E57 WeakPolarHBondContact CA-O 3.46Å
6	K	93.9	Very high	85.4	Confident	71 Å²	71	95.6 Å²	95.6	31%	0.309	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.7	172.9	-175.9	-175.3	172.2	-165	0	109.4	L8 N24 E25 V56 E57 I59	K6-L8 PolarHBondContact O-N 2.75Å; K6-N24 WeakPolarHBondContact CE-OD1 3.38Å; K6-N24 PolarHBondContact NZ-OD1 3.14Å; K6-E25 WeakPolarHBondContact CA-O 3.34Å; K6-V56 CarbonylContact O-C 3.6Å; K6-V56 WeakPolarHBondContact O-CA 3.47Å; K6-E57 PolarHBondContact N-O 3Å; K6-E57 PolarHBondContact O-N 3.19Å; K6-I59 HydrophobicContact CB-CD1 4.19Å
7	A	93.1	Very high	85.3	Confident	0 Å²	0	99.1 Å²	99.1	0%	0	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	128.1	175.1	0	0	0	0	0	110.8	I21 Q22 N24 E25 L27 Y55	A7-I21 HydrophobicContact CB-CB 4.45Å; A7-I21 HydrophobicContact CB-CD1 4.02Å; A7-Q22 WeakPolarHBondContact CB-O 3.39Å; A7-N24 WeakPolarHBondContact O-CA 3.47Å; A7-N24 PolarHBondContact O-N 2.76Å; A7-E25 HydrophobicContact CB-CB 4.27Å; A7-E25 PolarHBondContact N-O 3.48Å; A7-L27 HydrophobicContact CB-CD1 4.3Å; A7-Y55 CarbonylContact C-O 3.41Å; A7-Y55 WeakPolarHBondContact CA-O 3.29Å
8	L	91.1	Very high	85.7	Confident	68 Å²	68	95.4 Å²	95.4	36%	0.356	47%	0.465	S	S	.	.	S	Bend	trans	-89.9	-21.1	176.7	-65.5	178.7	0	0	0	112.8	K6 E23 Y55 E57	K6-L8 PolarHBondContact O-N 2.75Å; L8-E23 WeakPolarHBondContact O-CG 3.4Å; L8-Y55 PolarHBondContact N-O 2.95Å; L8-E57 HydrophobicContact CD1-CB 4.2Å; L8-E57 HydrophobicContact CD2-CB 4Å; L8-E57 HydrophobicContact CG-CB 4.09Å
9	Y	88.9	Confident	86	Confident	134 Å²	134	90.9 Å²	90.9	53%	0.525	44%	0.443	S	S	.	.	S	Bend	trans	-146.8	157.2	-179.6	-55.7	-69.4	0	0	0	110.1	Y55	Y9-Y55 HydrophobicContact CD2-CD1 4.47Å; Y9-Y55 HydrophobicContact CD2-CG 4.35Å; Y9-Y55 HydrophobicContact CG-CD1 4.49Å
10	T	92.3	Very high	86.4	Confident	73 Å²	73	88.4 Å²	88.4	45%	0.448	44%	0.435	S	S	.	.			trans	-77.7	131.4	172.3	-61	0	0	0	0	110.3	I21 Q22 E23	T10-I21 CarbonylContact C-O 3.52Å; T10-I21 WeakPolarHBondContact CA-O 3.22Å; T10-Q22 HydrophobicContact CG2-CG 4.45Å; T10-E23 PolarHBondContact OG1-N 3.22Å
11	F	93.1	Very high	86.8	Confident	32 Å²	32	84.2 Å²	84.2	14%	0.14	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-125	133.3	173.3	167.5	-101.4	0	0	0	109.6	E18 I19 S20 I21 W38 P52 Y55	F11-E18 HydrophobicContact CE1-CB 4.34Å; F11-I19 WeakPolarHBondContact CD1-O 3.42Å; F11-S20 CarbonylContact O-C 3.57Å; F11-S20 VanDerWaalsContact O-CA 3.24Å; F11-S20 WeakPolarHBondContact O-CA 3.47Å; F11-S20 WeakPolarHBondContact O-CB 3.12Å; F11-I21 HydrophobicContact CB-CD1 4.44Å; F11-I21 HydrophobicContact CB-CG1 3.81Å; F11-I21 HydrophobicContact CD1-CG1 4.46Å; F11-I21 PolarHBondContact N-O 3.11Å; F11-I21 PolarHBondContact O-N 3.46Å; F11-I21 VanDerWaalsContact O-O 3.1Å; F11-W38 HydrophobicContact CE1-CH2 4.49Å; F11-W38 HydrophobicContact CE1-CZ3 4.09Å; F11-W38 HydrophobicContact CE2-CH2 4.11Å; F11-W38 HydrophobicContact CE2-CZ3 4.42Å; F11-W38 AromaticContact CZ-CH2 3.68Å; F11-W38 HydrophobicContact CZ-CH2 3.68Å; F11-W38 AromaticContact CZ-CZ3 3.73Å; F11-W38 HydrophobicContact CZ-CZ3 3.73Å; F11-P52 HydrophobicContact CD1-CG 4.47Å; F11-P52 HydrophobicContact CD2-CG 3.79Å; F11-P52 HydrophobicContact CE2-CG 3.91Å; F11-P52 HydrophobicContact CG-CG 4.1Å; F11-P52 HydrophobicContact CZ-CG 4.32Å; F11-Y55 HydrophobicContact CB-CD1 3.77Å; F11-Y55 HydrophobicContact CB-CE1 4.1Å
12	Q	92.6	Very high	88.7	Confident	152 Å²	152	79.2 Å²	79.2	71%	0.71	39%	0.389	S	S	*	.			trans	-104.6	125.7	173.2	-64.2	-173.3	16.3	0	0	108.7
13	S	88.7	Confident	89.9	Confident	43 Å²	43	80.4 Å²	80.4	30%	0.301	39%	0.385	S	S	.	.			trans	-70.9	126.3	178.1	49.4	0	0	0	0	111.1	E18 S20	S13-E18 WeakPolarHBondContact CA-OE2 3.25Å; S13-S20 PolarHBondContact N-OG 3.42Å; S13-S20 PolarHBondContact OG-N 2.84Å; S13-S20 PolarHBondContact OG-OG 3.35Å
14	E	78.4	Confident	90.1	Very high	181 Å²	181	82.8 Å²	82.8	85%	0.846	40%	0.398	S	S	*	.			trans	-94.7	-26	175.2	-63.2	-173.2	172.5	0	0	111.4	E18	E14-E18 PolarHBondContact N-OE2 2.69Å
15	N	82.4	Confident	90.2	Very high	99 Å²	99	78.2 Å²	78.2	53%	0.529	38%	0.378	S	S	.	.	S	Bend	trans	-109.2	159	-179.7	-62.2	-64.3	0	0	0	113.4	E17 E18	N15-E17 PolarHBondContact O-N 3.48Å; N15-E18 HydrophobicContact CB-CG 4.3Å; N15-E18 WeakPolarHBondContact CB-OE1 3.34Å; N15-E18 PolarHBondContact N-OE2 2.93Å; N15-E18 VanDerWaalsContact N-OE2 3.15Å; N15-E18 PolarHBondContact ND2-OE1 3.32Å; N15-E18 PolarHBondContact O-N 3.26Å
16	K	83.1	Confident	90.3	Very high	217 Å²	217	83.9 Å²	83.9	94%	0.943	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-10.3	179	-65.7	-177.6	-178.8	176.2	0	114.8
17	E	85.3	Confident	90.3	Very high	154 Å²	154	80.6 Å²	80.6	72%	0.72	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-9.4	178.1	-59.4	-175.2	179.2	0	0	111.8	N15 G49 L50	N15-E17 PolarHBondContact O-N 3.48Å; E17-G49 WeakPolarHBondContact O-CA 3.39Å; E17-L50 PolarHBondContact O-N 3.16Å
18	E	92	Very high	90.3	Very high	33 Å²	33	83.3 Å²	83.3	15%	0.154	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-97.4	159.8	177.6	-67.6	158.2	-156.5	0	0	111.1	F11 S13 E14 N15 W38 L50	F11-E18 HydrophobicContact CE1-CB 4.34Å; S13-E18 WeakPolarHBondContact CA-OE2 3.25Å; E14-E18 PolarHBondContact N-OE2 2.69Å; N15-E18 HydrophobicContact CB-CG 4.3Å; N15-E18 WeakPolarHBondContact CB-OE1 3.34Å; N15-E18 PolarHBondContact N-OE2 2.93Å; N15-E18 VanDerWaalsContact N-OE2 3.15Å; N15-E18 PolarHBondContact ND2-OE1 3.32Å; N15-E18 PolarHBondContact O-N 3.26Å; E18-W38 HydrophobicContact CG-CH2 4.22Å; E18-W38 HydrophobicContact CG-CZ3 3.88Å; E18-L50 CarbonylContact C-O 3.55Å; E18-L50 VanDerWaalsContact CA-O 3.25Å; E18-L50 WeakPolarHBondContact CA-O 3.45Å
19	I	91.9	Very high	90.3	Very high	10 Å²	10	80.1 Å²	80.1	5%	0.051	39%	0.39	C	S	.	.			trans	-123.8	140.5	167.4	54.9	176.8	0	0	0	111	F11 N43 Q47 R48 L50 F51	F11-I19 WeakPolarHBondContact CD1-O 3.42Å; I19-N43 HydrophobicContact CD1-CB 4.03Å; I19-Q47 VanDerWaalsContact CD1-O 3.25Å; I19-Q47 WeakPolarHBondContact CD1-O 3.33Å; I19-Q47 HydrophobicContact CG2-CB 3.89Å; I19-R48 VanDerWaalsContact CG2-C 3.49Å; I19-L50 PolarHBondContact N-O 3.15Å; I19-F51 HydrophobicContact CD1-CD1 3.83Å; I19-F51 HydrophobicContact CD1-CE1 4.06Å; I19-F51 HydrophobicContact CG1-CD1 3.79Å
20	S	93.3	Very high	90.2	Very high	41 Å²	41	77.2 Å²	77.2	29%	0.287	38%	0.38	S	S	.	.			trans	-71	136.1	170.5	-60.2	0	0	0	0	110.1	F11 S13 N43	F11-S20 CarbonylContact O-C 3.57Å; F11-S20 VanDerWaalsContact O-CA 3.24Å; F11-S20 WeakPolarHBondContact O-CA 3.47Å; F11-S20 WeakPolarHBondContact O-CB 3.12Å; S13-S20 PolarHBondContact N-OG 3.42Å; S13-S20 PolarHBondContact OG-N 2.84Å; S13-S20 PolarHBondContact OG-OG 3.35Å; S20-N43 PolarHBondContact O-ND2 2.72Å
21	I	95.1	Very high	89.3	Confident	1 Å²	1	77.5 Å²	77.5	1%	0.005	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-126.8	143.7	175.8	58.6	168.6	0	0	0	109.4	A7 T10 F11 E25 L27 N43 F51 V56	A7-I21 HydrophobicContact CB-CB 4.45Å; A7-I21 HydrophobicContact CB-CD1 4.02Å; T10-I21 CarbonylContact C-O 3.52Å; T10-I21 WeakPolarHBondContact CA-O 3.22Å; F11-I21 HydrophobicContact CB-CD1 4.44Å; F11-I21 HydrophobicContact CB-CG1 3.81Å; F11-I21 HydrophobicContact CD1-CG1 4.46Å; F11-I21 PolarHBondContact N-O 3.11Å; F11-I21 PolarHBondContact O-N 3.46Å; F11-I21 VanDerWaalsContact O-O 3.1Å; I21-E25 WeakPolarHBondContact CA-OE2 3.33Å; I21-L27 HydrophobicContact CB-CD1 4.49Å; I21-L27 HydrophobicContact CB-CD2 4.32Å; I21-L27 HydrophobicContact CD1-CD1 4.03Å; I21-L27 HydrophobicContact CG2-CD1 4.03Å; I21-L27 HydrophobicContact CG2-CD2 3.62Å; I21-N43 HydrophobicContact CG2-CB 4.33Å; I21-F51 HydrophobicContact CD1-CB 3.98Å; I21-F51 HydrophobicContact CD1-CD2 4.38Å; I21-F51 HydrophobicContact CD1-CG 4.27Å; I21-F51 HydrophobicContact CG1-CB 4.42Å; I21-F51 HydrophobicContact CG2-CB 4.34Å; I21-F51 HydrophobicContact CG2-CD1 4.25Å; I21-F51 HydrophobicContact CG2-CG 4.35Å; I21-V56 HydrophobicContact CD1-CG2 3.75Å
22	Q	92.2	Very high	88	Confident	114 Å²	114	78.9 Å²	78.9	53%	0.533	39%	0.388	S	S	.	.			trans	-103	149.9	177.9	-70.9	-174.7	-26.9	0	0	111.6	A7 T10 N24 E25	A7-Q22 WeakPolarHBondContact CB-O 3.39Å; T10-Q22 HydrophobicContact CG2-CG 4.45Å; Q22-N24 PolarHBondContact O-N 3.41Å; Q22-E25 HydrophobicContact CB-CB 4.49Å; Q22-E25 PolarHBondContact N-OE2 2.91Å; Q22-E25 WeakPolarHBondContact O-CB 3.49Å; Q22-E25 PolarHBondContact O-N 3.47Å
23	E	92.9	Very high	86.6	Confident	112 Å²	112	77.3 Å²	77.3	52%	0.523	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	134	174.6	-162.1	-164.2	132.4	0	0	111.3	L8 T10 E25	L8-E23 WeakPolarHBondContact O-CG 3.4Å; T10-E23 PolarHBondContact OG1-N 3.22Å; E23-E25 VanDerWaalsContact C-N 3.27Å; E23-E25 PolarHBondContact O-N 2.88Å
24	N	89.8	Confident	85.4	Confident	90 Å²	90	78.6 Å²	78.6	48%	0.481	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	6.3	-174.1	-56.2	-83.2	0	0	0	116.8	K6 A7 Q22	K6-N24 WeakPolarHBondContact CE-OD1 3.38Å; K6-N24 PolarHBondContact NZ-OD1 3.14Å; A7-N24 WeakPolarHBondContact O-CA 3.47Å; A7-N24 PolarHBondContact O-N 2.76Å; Q22-N24 PolarHBondContact O-N 3.41Å
25	E	93.3	Very high	84.4	Confident	16 Å²	16	75.5 Å²	75.5	8%	0.075	39%	0.387	C	S	.	.			trans	-67.1	137.8	174.8	-172.9	169.5	-169.1	0	0	112.5	K6 A7 I21 Q22 E23 L27 N43 S44	K6-E25 WeakPolarHBondContact CA-O 3.34Å; A7-E25 HydrophobicContact CB-CB 4.27Å; A7-E25 PolarHBondContact N-O 3.48Å; I21-E25 WeakPolarHBondContact CA-OE2 3.33Å; Q22-E25 HydrophobicContact CB-CB 4.49Å; Q22-E25 PolarHBondContact N-OE2 2.91Å; Q22-E25 WeakPolarHBondContact O-CB 3.49Å; Q22-E25 PolarHBondContact O-N 3.47Å; E23-E25 VanDerWaalsContact C-N 3.27Å; E23-E25 PolarHBondContact O-N 2.88Å; E25-L27 HydrophobicContact CG-CD2 4.12Å; E25-N43 WeakPolarHBondContact OE1-CB 3.2Å; E25-S44 VanDerWaalsContact OE1-CB 3.22Å; E25-S44 WeakPolarHBondContact OE1-CB 3.36Å; E25-S44 PolarHBondContact OE1-N 3.43Å; E25-S44 PolarHBondContact OE1-OG 3.03Å
26	E	93.3	Very high	83.8	Confident	121 Å²	121	77.9 Å²	77.9	57%	0.565	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	131.9	169.7	-74.2	-159.2	-174.4	0	0	110.7	K4	K4-E26 IonicContact NZ-OE2 3.22Å; K4-E26 PolarHBondContact NZ-OE2 2.88Å
27	L	93.1	Very high	83.8	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.01	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	145.3	-178.9	-54.8	178.5	0	0	0	110.8	G5 A7 I21 E25 E42 N43 F51 V56	G5-L27 PolarHBondContact N-O 2.78Å; G5-L27 PolarHBondContact O-N 3.18Å; A7-L27 HydrophobicContact CB-CD1 4.3Å; I21-L27 HydrophobicContact CB-CD1 4.49Å; I21-L27 HydrophobicContact CB-CD2 4.32Å; I21-L27 HydrophobicContact CD1-CD1 4.03Å; I21-L27 HydrophobicContact CG2-CD1 4.03Å; I21-L27 HydrophobicContact CG2-CD2 3.62Å; E25-L27 HydrophobicContact CG-CD2 4.12Å; L27-E42 WeakPolarHBondContact CA-O 3.46Å; L27-N43 HydrophobicContact CD2-CB 3.9Å; L27-F51 HydrophobicContact CB-CZ 4.38Å; L27-F51 HydrophobicContact CD1-CD2 4.2Å; L27-F51 HydrophobicContact CD1-CE1 4.29Å; L27-F51 HydrophobicContact CD1-CE2 3.84Å; L27-F51 HydrophobicContact CD1-CZ 3.89Å; L27-V56 HydrophobicContact CD1-CB 4.41Å; L27-V56 HydrophobicContact CD1-CG1 3.93Å; L27-V56 HydrophobicContact CD1-CG2 3.51Å
28	V	92.9	Very high	84	Confident	57 Å²	57	65.8 Å²	65.8	35%	0.345	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	110	171.2	-176.5	0	0	0	0	108.6	F30 G41 E42	V28-F30 HydrophobicContact CG1-CD1 4.46Å; V28-F30 HydrophobicContact CG1-CE1 3.98Å; V28-G41 CarbonylContact O-C 3.57Å; V28-G41 WeakPolarHBondContact O-CA 3.23Å; V28-E42 HydrophobicContact CB-CB 4.39Å; V28-E42 PolarHBondContact N-O 3.43Å; V28-E42 PolarHBondContact O-N 3Å
29	I	91.3	Very high	83.9	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131.3	-176.3	-59.9	164.7	0	0	0	108.9	S2 M3 D31 L39 F51 V56 V58	S2-I29 WeakPolarHBondContact CA-O 3.31Å; M3-I29 HydrophobicContact CB-CB 4.45Å; M3-I29 HydrophobicContact CE-CB 4.43Å; M3-I29 HydrophobicContact CE-CG2 3.94Å; M3-I29 PolarHBondContact N-O 3.45Å; M3-I29 PolarHBondContact O-N 2.89Å; I29-D31 WeakPolarHBondContact CG2-O 3.37Å; I29-L39 HydrophobicContact CD1-CD1 4.22Å; I29-F51 HydrophobicContact CG1-CE2 4.47Å; I29-F51 HydrophobicContact CG1-CZ 4.14Å; I29-V56 HydrophobicContact CD1-CG1 4.09Å; I29-V58 HydrophobicContact CD1-CB 4.44Å; I29-V58 HydrophobicContact CD1-CG1 4.22Å; I29-V58 HydrophobicContact CD1-CG2 3.78Å
30	F	86.5	Confident	83.9	Confident	73 Å²	73	69.3 Å²	69.3	32%	0.32	37%	0.37	S	S	.	.	S	Bend	trans	-94	-27.8	-175.6	-60	-49.6	0	0	0	114	V28 Q40 E42 R48	V28-F30 HydrophobicContact CG1-CD1 4.46Å; V28-F30 HydrophobicContact CG1-CE1 3.98Å; F30-Q40 PolarHBondContact N-O 2.94Å; F30-E42 HydrophobicContact CE2-CB 4.05Å; F30-E42 HydrophobicContact CZ-CB 3.73Å; F30-R48 HydrophobicContact CE2-CG 4.13Å; F30-R48 HydrophobicContact CZ-CG 4.5Å
31	D	74.8	Confident	83.8	Confident	79 Å²	79	67.4 Å²	67.4	42%	0.422	36%	0.356	S	S	.	.			trans	-141.8	143.1	173.9	-163.1	-11.1	0	0	0	110.6	I29 N33	I29-D31 WeakPolarHBondContact CG2-O 3.37Å; D31-N33 PolarHBondContact OD1-N 3.18Å; D31-N33 PolarHBondContact OD1-ND2 2.99Å; D31-N33 PolarHBondContact OD2-ND2 3.26Å
32	D	65.6	Low	83.7	Confident	62 Å²	62	69.5 Å²	69.5	33%	0.332	37%	0.366	S	S	.	.	S	Bend	trans	-88.1	-14.1	175.8	-149.8	9.6	0	0	0	111.7	M3 S34 R60	M3-D32 HydrophobicContact CE-CB 3.41Å; M3-D32 VanDerWaalsContact CE-CB 3.41Å; M3-D32 HydrophobicContact SD-CB 4.32Å; D32-S34 VanDerWaalsContact C-N 3.32Å; D32-S34 PolarHBondContact O-N 2.98Å; D32-R60 IonicContact OD1-NH2 3.71Å; D32-R60 IonicContact OD2-CZ 3.56Å; D32-R60 IonicContact OD2-NE 2.73Å; D32-R60 IonicContact OD2-NH2 2.66Å; D32-R60 PolarHBondContact OD2-NH2 2.79Å
33	N	62.7	Low	83.7	Confident	119 Å²	119	64.4 Å²	64.4	64%	0.636	34%	0.342	S	S	*	.			trans	-71.8	87	176.5	-65.4	-58.5	0	0	0	110.1	D31 V35	D31-N33 PolarHBondContact OD1-N 3.18Å; D31-N33 PolarHBondContact OD1-ND2 2.99Å; D31-N33 PolarHBondContact OD2-ND2 3.26Å; N33-V35 PolarHBondContact O-N 3.39Å
34	S	64.4	Low	83.6	Confident	69 Å²	69	63.1 Å²	63.1	48%	0.483	35%	0.346	S	S	.	.			trans	-60.1	106.9	170.4	61.2	0	0	0	0	110.5	D32 W38	D32-S34 VanDerWaalsContact C-N 3.32Å; D32-S34 PolarHBondContact O-N 2.98Å; S34-W38 WeakPolarHBondContact CA-O 3.45Å
35	V	56.5	Low	83.4	Confident	116 Å²	116	64.9 Å²	64.9	70%	0.703	35%	0.349	S	S	*	.	B	Isolated β-bridge	trans	-86.9	119	170.5	-178.6	0	0	0	0	106.6	N33 G37 W38	N33-V35 PolarHBondContact O-N 3.39Å; V35-G37 PolarHBondContact O-N 3.33Å; V35-G37 VanDerWaalsContact O-N 3.12Å; V35-W38 PolarHBondContact N-O 3.13Å; V35-W38 PolarHBondContact O-N 3.33Å; V35-W38 VanDerWaalsContact O-N 3.12Å
36	D	71.1	Confident	83.2	Confident	149 Å²	149	66.1 Å²	66.1	80%	0.797	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	30.4	177.1	-147	20.7	0	0	0	114.8
37	G	82.6	Confident	83	Confident	38 Å²	38	64.9 Å²	64.9	39%	0.392	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	8.9	178.4	0	0	0	0	0	115.8	V35 A53	V35-G37 PolarHBondContact O-N 3.33Å; V35-G37 VanDerWaalsContact O-N 3.12Å; G37-A53 WeakPolarHBondContact O-CB 3.28Å; G37-A53 PolarHBondContact O-N 3.23Å
38	W	89.7	Confident	82.9	Confident	79 Å²	79	73 Å²	73	30%	0.299	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	146.7	176.8	-64.7	81.4	0	0	0	112	F11 E18 S34 V35 L50 P52	F11-W38 HydrophobicContact CE1-CH2 4.49Å; F11-W38 HydrophobicContact CE1-CZ3 4.09Å; F11-W38 HydrophobicContact CE2-CH2 4.11Å; F11-W38 HydrophobicContact CE2-CZ3 4.42Å; F11-W38 AromaticContact CZ-CH2 3.68Å; F11-W38 HydrophobicContact CZ-CH2 3.68Å; F11-W38 AromaticContact CZ-CZ3 3.73Å; F11-W38 HydrophobicContact CZ-CZ3 3.73Å; E18-W38 HydrophobicContact CG-CH2 4.22Å; E18-W38 HydrophobicContact CG-CZ3 3.88Å; S34-W38 WeakPolarHBondContact CA-O 3.45Å; V35-W38 PolarHBondContact N-O 3.13Å; V35-W38 PolarHBondContact O-N 3.33Å; V35-W38 VanDerWaalsContact O-N 3.12Å; W38-L50 HydrophobicContact CB-CD2 4.48Å; W38-L50 HydrophobicContact CE3-CB 3.91Å; W38-P52 HydrophobicContact CE3-CG 4.29Å; W38-P52 HydrophobicContact CH2-CG 4.02Å; W38-P52 HydrophobicContact CZ3-CG 3.84Å
39	L	89.1	Confident	82.8	Confident	8 Å²	8	70.7 Å²	70.7	4%	0.042	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	145.9	170.6	-68.5	174.4	0	0	0	109.9	I29 L50 F51 A53 V58	I29-L39 HydrophobicContact CD1-CD1 4.22Å; L39-L50 WeakPolarHBondContact O-CA 3.45Å; L39-F51 HydrophobicContact CB-CD2 4.05Å; L39-F51 HydrophobicContact CB-CE2 3.61Å; L39-F51 HydrophobicContact CB-CZ 4.24Å; L39-F51 HydrophobicContact CD1-CE2 4.26Å; L39-F51 PolarHBondContact N-O 3.39Å; L39-F51 PolarHBondContact O-N 3.02Å; L39-A53 HydrophobicContact CD1-CB 4.04Å; L39-A53 HydrophobicContact CD2-CB 4.48Å; L39-A53 HydrophobicContact CG-CB 3.75Å; L39-V58 HydrophobicContact CD1-CG2 4.4Å
40	Q	91.2	Very high	82.8	Confident	110 Å²	110	73.4 Å²	73.4	51%	0.514	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.2	173.6	-165.7	179	10.7	0	0	110.5	F30 L50	F30-Q40 PolarHBondContact N-O 2.94Å; Q40-L50 HydrophobicContact CB-CD2 3.85Å; Q40-L50 HydrophobicContact CG-CD2 4.16Å
41	G	92.1	Very high	83.1	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	-166.5	-178.7	0	0	0	0	0	114.3	V28 R48 G49	V28-G41 CarbonylContact O-C 3.57Å; V28-G41 WeakPolarHBondContact O-CA 3.23Å; G41-R48 WeakPolarHBondContact O-CA 3.18Å; G41-G49 PolarHBondContact N-O 2.95Å; G41-G49 VanDerWaalsContact N-O 3.1Å; G41-G49 PolarHBondContact O-N 2.62Å; G41-G49 VanDerWaalsContact O-N 3.13Å
42	E	93.9	Very high	83.9	Confident	46 Å²	46	66.8 Å²	66.8	22%	0.215	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.3	178	-168.3	176.1	133.7	0	0	109.8	L27 V28 F30 Q47 R48	L27-E42 WeakPolarHBondContact CA-O 3.46Å; V28-E42 HydrophobicContact CB-CB 4.39Å; V28-E42 PolarHBondContact N-O 3.43Å; V28-E42 PolarHBondContact O-N 3Å; F30-E42 HydrophobicContact CE2-CB 4.05Å; F30-E42 HydrophobicContact CZ-CB 3.73Å; E42-Q47 VanDerWaalsContact CA-O 3.27Å; E42-Q47 WeakPolarHBondContact CA-O 3.22Å; E42-R48 HydrophobicContact CB-CG 4.04Å; E42-R48 HydrophobicContact CG-CG 3.89Å; E42-R48 IonicContact OE2-CZ 2.81Å; E42-R48 IonicContact OE2-NE 2.68Å; E42-R48 PolarHBondContact OE2-NE 3.44Å; E42-R48 IonicContact OE2-NH2 3.85Å; E42-R48 PolarHBondContact OE2-NH2 3.38Å
43	N	92.1	Very high	85.1	Confident	6 Å²	6	65 Å²	65	3%	0.032	36%	0.355	C	S	.	.			trans	-86.9	175.9	176.9	74	5.2	0	0	0	112.3	I19 S20 I21 E25 L27 K45 G46 Q47	I19-N43 HydrophobicContact CD1-CB 4.03Å; S20-N43 PolarHBondContact O-ND2 2.72Å; I21-N43 HydrophobicContact CG2-CB 4.33Å; E25-N43 WeakPolarHBondContact OE1-CB 3.2Å; L27-N43 HydrophobicContact CD2-CB 3.9Å; N43-K45 PolarHBondContact O-N 3.38Å; N43-K45 WeakPolarHBondContact OD1-CA 3.2Å; N43-K45 WeakPolarHBondContact OD1-CB 3.43Å; N43-K45 PolarHBondContact OD1-N 3.44Å; N43-K45 VanDerWaalsContact OD1-N 3.11Å; N43-G46 PolarHBondContact O-N 3.24Å; N43-G46 PolarHBondContact OD1-N 2.73Å; N43-Q47 PolarHBondContact N-O 3.44Å; N43-Q47 PolarHBondContact ND2-OE1 3.17Å; N43-Q47 WeakPolarHBondContact OD1-CB 3.3Å; N43-Q47 PolarHBondContact OD1-N 2.87Å
44	S	89.7	Confident	86.4	Confident	86 Å²	86	63.6 Å²	63.6	60%	0.601	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.7	-178.3	69.9	0	0	0	0	114	E25	E25-S44 VanDerWaalsContact OE1-CB 3.22Å; E25-S44 WeakPolarHBondContact OE1-CB 3.36Å; E25-S44 PolarHBondContact OE1-N 3.43Å; E25-S44 PolarHBondContact OE1-OG 3.03Å
45	K	86.6	Confident	87.7	Confident	127 Å²	127	64.4 Å²	64.4	55%	0.552	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	4.1	177.4	-56.6	170.4	-171.6	162.5	0	112.7	N43 Q47	N43-K45 PolarHBondContact O-N 3.38Å; N43-K45 WeakPolarHBondContact OD1-CA 3.2Å; N43-K45 WeakPolarHBondContact OD1-CB 3.43Å; N43-K45 PolarHBondContact OD1-N 3.44Å; N43-K45 VanDerWaalsContact OD1-N 3.11Å; K45-Q47 VanDerWaalsContact C-N 3.26Å; K45-Q47 HydrophobicContact CB-CG 4.14Å; K45-Q47 PolarHBondContact O-N 3.08Å
46	G	87.4	Confident	89.2	Confident	41 Å²	41	59.4 Å²	59.4	42%	0.423	32%	0.317	S	S	.	.	S	Bend	trans	73.7	13	-177.8	0	0	0	0	0	114.2	N43	N43-G46 PolarHBondContact O-N 3.24Å; N43-G46 PolarHBondContact OD1-N 2.73Å
47	Q	89	Confident	90.2	Very high	96 Å²	96	57.5 Å²	57.5	45%	0.449	30%	0.304	S	S	.	.			trans	-85.4	135.4	179.1	-55	176	-60.3	0	0	109.4	I19 E42 N43 K45	I19-Q47 VanDerWaalsContact CD1-O 3.25Å; I19-Q47 WeakPolarHBondContact CD1-O 3.33Å; I19-Q47 HydrophobicContact CG2-CB 3.89Å; E42-Q47 VanDerWaalsContact CA-O 3.27Å; E42-Q47 WeakPolarHBondContact CA-O 3.22Å; N43-Q47 PolarHBondContact N-O 3.44Å; N43-Q47 PolarHBondContact ND2-OE1 3.17Å; N43-Q47 WeakPolarHBondContact OD1-CB 3.3Å; N43-Q47 PolarHBondContact OD1-N 2.87Å; K45-Q47 VanDerWaalsContact C-N 3.26Å; K45-Q47 HydrophobicContact CB-CG 4.14Å; K45-Q47 PolarHBondContact O-N 3.08Å
48	R	92.5	Very high	90.5	Very high	173 Å²	173	57.7 Å²	57.7	65%	0.653	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.6	-178.3	-64.7	-177	177.2	-176	-2.9	111.7	I19 F30 G41 E42	I19-R48 VanDerWaalsContact CG2-C 3.49Å; F30-R48 HydrophobicContact CE2-CG 4.13Å; F30-R48 HydrophobicContact CZ-CG 4.5Å; G41-R48 WeakPolarHBondContact O-CA 3.18Å; E42-R48 HydrophobicContact CB-CG 4.04Å; E42-R48 HydrophobicContact CG-CG 3.89Å; E42-R48 IonicContact OE2-CZ 2.81Å; E42-R48 IonicContact OE2-NE 2.68Å; E42-R48 PolarHBondContact OE2-NE 3.44Å; E42-R48 IonicContact OE2-NH2 3.85Å; E42-R48 PolarHBondContact OE2-NH2 3.38Å
49	G	90.5	Very high	90.3	Very high	8 Å²	8	58.1 Å²	58.1	8%	0.082	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.6	-162.9	177.1	0	0	0	0	0	111.9	E17 G41	E17-G49 WeakPolarHBondContact O-CA 3.39Å; G41-G49 PolarHBondContact N-O 2.95Å; G41-G49 VanDerWaalsContact N-O 3.1Å; G41-G49 PolarHBondContact O-N 2.62Å; G41-G49 VanDerWaalsContact O-N 3.13Å
50	L	91.7	Very high	89.9	Confident	56 Å²	56	65.5 Å²	65.5	29%	0.293	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	146	179.2	-61.3	173.4	0	0	0	112	E17 E18 I19 W38 L39 Q40	E17-L50 PolarHBondContact O-N 3.16Å; E18-L50 CarbonylContact C-O 3.55Å; E18-L50 VanDerWaalsContact CA-O 3.25Å; E18-L50 WeakPolarHBondContact CA-O 3.45Å; I19-L50 PolarHBondContact N-O 3.15Å; W38-L50 HydrophobicContact CB-CD2 4.48Å; W38-L50 HydrophobicContact CE3-CB 3.91Å; L39-L50 WeakPolarHBondContact O-CA 3.45Å; Q40-L50 HydrophobicContact CB-CD2 3.85Å; Q40-L50 HydrophobicContact CG-CD2 4.16Å
51	F	91.8	Very high	88.4	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	155.7	168.4	46.4	-98.1	0	0	0	110.7	I19 I21 L27 I29 L39 A53 V56	I19-F51 HydrophobicContact CD1-CD1 3.83Å; I19-F51 HydrophobicContact CD1-CE1 4.06Å; I19-F51 HydrophobicContact CG1-CD1 3.79Å; I21-F51 HydrophobicContact CD1-CB 3.98Å; I21-F51 HydrophobicContact CD1-CD2 4.38Å; I21-F51 HydrophobicContact CD1-CG 4.27Å; I21-F51 HydrophobicContact CG1-CB 4.42Å; I21-F51 HydrophobicContact CG2-CB 4.34Å; I21-F51 HydrophobicContact CG2-CD1 4.25Å; I21-F51 HydrophobicContact CG2-CG 4.35Å; L27-F51 HydrophobicContact CB-CZ 4.38Å; L27-F51 HydrophobicContact CD1-CD2 4.2Å; L27-F51 HydrophobicContact CD1-CE1 4.29Å; L27-F51 HydrophobicContact CD1-CE2 3.84Å; L27-F51 HydrophobicContact CD1-CZ 3.89Å; I29-F51 HydrophobicContact CG1-CE2 4.47Å; I29-F51 HydrophobicContact CG1-CZ 4.14Å; L39-F51 HydrophobicContact CB-CD2 4.05Å; L39-F51 HydrophobicContact CB-CE2 3.61Å; L39-F51 HydrophobicContact CB-CZ 4.24Å; L39-F51 HydrophobicContact CD1-CE2 4.26Å; L39-F51 PolarHBondContact N-O 3.39Å; L39-F51 PolarHBondContact O-N 3.02Å; F51-A53 PolarHBondContact O-N 2.79Å; F51-V56 HydrophobicContact CD2-CG2 3.58Å; F51-V56 HydrophobicContact CE2-CB 4.39Å; F51-V56 HydrophobicContact CE2-CG1 4.43Å; F51-V56 HydrophobicContact CE2-CG2 3.71Å
52	P	92	Very high	86	Confident	14 Å²	14	77.5 Å²	77.5	9%	0.091	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	132.2	-175.9	-22.1	33.8	0	0	0	112.3	F11 W38 S54 Y55	F11-P52 HydrophobicContact CD1-CG 4.47Å; F11-P52 HydrophobicContact CD2-CG 3.79Å; F11-P52 HydrophobicContact CE2-CG 3.91Å; F11-P52 HydrophobicContact CG-CG 4.1Å; F11-P52 HydrophobicContact CZ-CG 4.32Å; W38-P52 HydrophobicContact CE3-CG 4.29Å; W38-P52 HydrophobicContact CH2-CG 4.02Å; W38-P52 HydrophobicContact CZ3-CG 3.84Å; P52-S54 VanDerWaalsContact C-N 3.26Å; P52-S54 PolarHBondContact O-N 2.87Å; P52-Y55 HydrophobicContact CB-CD2 3.84Å; P52-Y55 HydrophobicContact CB-CG 4.14Å; P52-Y55 HydrophobicContact CG-CD2 4.33Å; P52-Y55 HydrophobicContact CG-CG 4.39Å; P52-Y55 PolarHBondContact O-N 3.49Å; P52-Y55 VanDerWaalsContact O-N 3.08Å
53	A	90.8	Very high	83.4	Confident	25 Å²	25	80.6 Å²	80.6	21%	0.207	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-63.4	-33	179.5	0	0	0	0	0	112.4	G37 L39 F51 Y55 V56	G37-A53 WeakPolarHBondContact O-CB 3.28Å; G37-A53 PolarHBondContact O-N 3.23Å; L39-A53 HydrophobicContact CD1-CB 4.04Å; L39-A53 HydrophobicContact CD2-CB 4.48Å; L39-A53 HydrophobicContact CG-CB 3.75Å; F51-A53 PolarHBondContact O-N 2.79Å; A53-Y55 PolarHBondContact O-N 3.37Å; A53-V56 PolarHBondContact O-N 2.67Å
54	S	90.2	Very high	80.7	Confident	89 Å²	89	87.6 Å²	87.6	62%	0.622	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-68.4	-13.1	176.2	49	0	0	0	0	114.2	P52	P52-S54 VanDerWaalsContact C-N 3.26Å; P52-S54 PolarHBondContact O-N 2.87Å
55	Y	90.6	Very high	78.1	Confident	86 Å²	86	88.8 Å²	88.8	34%	0.337	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-96.1	3.2	-179.5	-81	-129.9	0	0	0	112.3	A7 L8 Y9 F11 P52 A53	A7-Y55 CarbonylContact C-O 3.41Å; A7-Y55 WeakPolarHBondContact CA-O 3.29Å; L8-Y55 PolarHBondContact N-O 2.95Å; Y9-Y55 HydrophobicContact CD2-CD1 4.47Å; Y9-Y55 HydrophobicContact CD2-CG 4.35Å; Y9-Y55 HydrophobicContact CG-CD1 4.49Å; F11-Y55 HydrophobicContact CB-CD1 3.77Å; F11-Y55 HydrophobicContact CB-CE1 4.1Å; P52-Y55 HydrophobicContact CB-CD2 3.84Å; P52-Y55 HydrophobicContact CB-CG 4.14Å; P52-Y55 HydrophobicContact CG-CD2 4.33Å; P52-Y55 HydrophobicContact CG-CG 4.39Å; P52-Y55 PolarHBondContact O-N 3.49Å; P52-Y55 VanDerWaalsContact O-N 3.08Å; A53-Y55 PolarHBondContact O-N 3.37Å
56	V	89.5	Confident	75.6	Confident	10 Å²	10	89.6 Å²	89.6	6%	0.061	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130.2	-171.6	-177.4	0	0	0	0	112	K6 I21 L27 I29 F51 A53	K6-V56 CarbonylContact O-C 3.6Å; K6-V56 WeakPolarHBondContact O-CA 3.47Å; I21-V56 HydrophobicContact CD1-CG2 3.75Å; L27-V56 HydrophobicContact CD1-CB 4.41Å; L27-V56 HydrophobicContact CD1-CG1 3.93Å; L27-V56 HydrophobicContact CD1-CG2 3.51Å; I29-V56 HydrophobicContact CD1-CG1 4.09Å; F51-V56 HydrophobicContact CD2-CG2 3.58Å; F51-V56 HydrophobicContact CE2-CB 4.39Å; F51-V56 HydrophobicContact CE2-CG1 4.43Å; F51-V56 HydrophobicContact CE2-CG2 3.71Å; A53-V56 PolarHBondContact O-N 2.67Å
57	E	91.7	Very high	72.9	Confident	110 Å²	110	94.9 Å²	94.9	51%	0.514	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.2	169.2	-176.1	178.4	-162	0	0	110	G5 K6 L8 I59	G5-E57 CarbonylContact C-O 3.58Å; G5-E57 WeakPolarHBondContact CA-O 3.46Å; K6-E57 PolarHBondContact N-O 3Å; K6-E57 PolarHBondContact O-N 3.19Å; L8-E57 HydrophobicContact CD1-CB 4.2Å; L8-E57 HydrophobicContact CD2-CB 4Å; L8-E57 HydrophobicContact CG-CB 4.09Å; E57-I59 PolarHBondContact O-N 2.98Å
58	V	88.9	Confident	70.1	Confident	41 Å²	41	95.6 Å²	95.6	25%	0.248	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	113.4	179	-172.3	0	0	0	0	110.5	M3 I29 L39 R60	M3-V58 HydrophobicContact CB-CG1 4.28Å; M3-V58 HydrophobicContact CE-CG1 4.15Å; M3-V58 HydrophobicContact SD-CG1 3.97Å; I29-V58 HydrophobicContact CD1-CB 4.44Å; I29-V58 HydrophobicContact CD1-CG1 4.22Å; I29-V58 HydrophobicContact CD1-CG2 3.78Å; L39-V58 HydrophobicContact CD1-CG2 4.4Å; V58-R60 HydrophobicContact CG1-CG 4.27Å; V58-R60 PolarHBondContact O-N 3.33Å; V58-R60 VanDerWaalsContact O-N 3.13Å
59	I	86.2	Confident	67	Low	89 Å²	89	94.1 Å²	94.1	46%	0.456	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	90.6	-179.1	-54.2	176	0	0	0	109.2	K4 K6 E57	K4-I59 HydrophobicContact CB-CB 4.43Å; K4-I59 WeakPolarHBondContact O-CA 3.06Å; K4-I59 PolarHBondContact O-N 2.88Å; K6-I59 HydrophobicContact CB-CD1 4.19Å; E57-I59 PolarHBondContact O-N 2.98Å
60	R	80.3	Confident	64	Low	163 Å²	163	98.8 Å²	98.8	62%	0.615	54%	0.535	S	S	*	.			trans	-82.7	130.7	170.6	-61.4	-174.4	-175.7	140.4	0.5	110.4	D32 V58 R62	D32-R60 IonicContact OD1-NH2 3.71Å; D32-R60 IonicContact OD2-CZ 3.56Å; D32-R60 IonicContact OD2-NE 2.73Å; D32-R60 IonicContact OD2-NH2 2.66Å; D32-R60 PolarHBondContact OD2-NH2 2.79Å; V58-R60 HydrophobicContact CG1-CG 4.27Å; V58-R60 PolarHBondContact O-N 3.33Å; V58-R60 VanDerWaalsContact O-N 3.13Å; R60-R62 PolarHBondContact O-N 3.09Å
61	P	58.1	Low	60.9	Low	124 Å²	124	102 Å²	102	81%	0.805	56%	0.562	S	S	*	*			trans	-65.6	129.8	174.1	27	-33	0	0	0	110.3	S63	P61-S63 PolarHBondContact O-N 3.03Å
62	R	42.6	Very low	58	Low	238 Å²	238	109.6 Å²	109.6	90%	0.898	60%	0.601	S	S	*	*			trans	-66.9	113.5	176.3	-72.5	-178	176.4	175	-1.2	110.1	R60 N64	R60-R62 PolarHBondContact O-N 3.09Å; R62-N64 PolarHBondContact O-N 3.42Å
63	S	40	Very low	54.9	Low	110 Å²	110	114.5 Å²	114.5	77%	0.769	64%	0.636	S	S	*	*			trans	-73.7	112.3	162.8	44.7	0	0	0	0	109.5	P61 S65	P61-S63 PolarHBondContact O-N 3.03Å; S63-S65 PolarHBondContact O-N 2.76Å
64	N	35.3	Very low	52.3	Low	154 Å²	154	118.6 Å²	118.6	82%	0.824	66%	0.66	S	S	*	*			trans	-65.5	116.7	173.5	-79.5	-11.5	0	0	0	110.7	R62	R62-N64 PolarHBondContact O-N 3.42Å
65	S	35.3	Very low	49.3	Very low	111 Å²	111	121.6 Å²	121.6	78%	0.776	68%	0.675	S	S	*	*			trans	-134	124.3	157.8	53.8	0	0	0	0	108.1	S63	S63-S65 PolarHBondContact O-N 2.76Å
66	N	33.6	Very low	46.2	Very low	143 Å²	143	121.2 Å²	121.2	77%	0.765	70%	0.696	S	S	*	*			trans	-86.1	178.5	-173.4	-70.3	-34	0	0	0	113
67	L	30.6	Very low	43.3	Very low	153 Å²	153	126.3 Å²	126.3	80%	0.801	73%	0.733	S	S	*	*			trans	88.6	105.2	177.7	-69.7	88	0	0	0	113.9
68	T	31	Very low	41	Very low	110 Å²	110	127.2 Å²	127.2	68%	0.675	75%	0.748	S	S	*	*				59.3	130.8	75.6	66.8	0	0	0	0	112.2
69	D	27.2	Very low	38	Very low	142 Å²	142	128.5 Å²	128.5	76%	0.759	77%	0.77	S	S	*	*			cis	-167.1	176.8	-3.7	-118.4	-44.4	0	0	0	107.2
70	C	27	Very low	35.3	Very low	106 Å²	106	131.3 Å²	131.3	72%	0.716	79%	0.786	S	S	*	*			cis	-135.8	167.3	14	-60	0	0	0	0	111.3
71	S	27.1	Very low	32.7	Very low	124 Å²	124	129.6 Å²	129.6	87%	0.867	79%	0.789	S	S	*	*			trans	-126.7	128.9	155.2	-80	0	0	0	0	110.5
72	I	29.3	Very low	31.2	Very low	159 Å²	159	128.3 Å²	128.3	82%	0.815	78%	0.783	S	S	*	*			trans	-119.1	109.3	171.4	-59	176.6	0	0	0	109.4
73	S	26.8	Very low	30.4	Very low	117 Å²	117	121.1 Å²	121.1	82%	0.818	77%	0.769	S	S	*	*			trans	-165.2	151.8	141.9	-83.5	0	0	0	0	110.2
74	P	36.6	Very low	29.8	Very low	111 Å²	111	125.2 Å²	125.2	72%	0.721	77%	0.769	S	S	*	*			trans	-117.3	154.8	-149.8	36.9	-23.9	0	0	0	116.2
75	V	27.3	Very low	29.2	Very low	153 Å²	153	126.6 Å²	126.6	93%	0.927	77%	0.768	S	S	*	*			trans	68.8	124	146.8	172.5	0	0	0	0	118.7
76	G	26.4	Very low	29.3	Very low	77 Å²	77	126.3 Å²	126.3	79%	0.794	76%	0.764	S	S	*	*			trans	170.3	39.6	171.2	0	0	0	0	0	117.4
77	S	27.1	Very low	28.9	Very low	117 Å²	117	125 Å²	125	82%	0.818	77%	0.765	S	S	*	*			trans	-89.8	173.2	175.4	-63.3	0	0	0	0	112.1
78	P	43.4	Very low	28.6	Very low	129 Å²	129	122.1 Å²	122.1	84%	0.838	76%	0.764	S	S	*	*			cis	-136.8	-175.8	-32.9	33	-13.1	0	0	0	113.8
79	G	26.3	Very low	28.9	Very low	69 Å²	69	121.9 Å²	121.9	71%	0.711	76%	0.764	S	S	*	*			trans	162	84.1	161.9	0	0	0	0	0	112.5
80	N	30.1	Very low	28.8	Very low	148 Å²	148	121.3 Å²	121.3	79%	0.791	76%	0.761	S	S	*	*				53.7	132.2	92.8	-109.9	56.8	0	0	0	114.3
81	D	25.9	Very low	28.8	Very low	127 Å²	127	122.1 Å²	122.1	68%	0.679	76%	0.763	S	S	*	*			cis	-162	162.1	-3.4	-138.8	-16.5	0	0	0	110
82	S	26.3	Very low	29	Very low	97 Å²	97	121.2 Å²	121.2	68%	0.678	75%	0.754	S	S	*	*			trans	25.6	143.7	131.1	-132.5	0	0	0	0	120.6
83	S	26.3	Very low	28.7	Very low	86 Å²	86	124.1 Å²	124.1	60%	0.601	76%	0.761	S	S	*	*			cis	178.9	-172.8	2.7	33.9	0	0	0	0	111.4
84	Y	26.6	Very low	28.6	Very low	196 Å²	196	126.3 Å²	126.3	77%	0.769	76%	0.758	S	S	*	*			trans	84.5	101.8	163.9	-72.1	-88	0	0	0	121
85	F	23.6	Very low	28	Very low	183 Å²	183	129 Å²	129	80%	0.803	76%	0.763	S	S	*	*				35.5	161.8	104.5	-70.6	-65.6	0	0	0	121.3
86	P	37.8	Very low	27.9	Very low	106 Å²	106	129.6 Å²	129.6	69%	0.688	76%	0.756	S	S	*	*			cis	-138.1	-173.8	-20.1	31.9	-10.4	0	0	0	114.3
87	S	24.7	Very low	27.9	Very low	115 Å²	115	133.1 Å²	133.1	80%	0.804	75%	0.751	S	S	*	*			trans	124.7	130	138.2	-49	0	0	0	0	116.6
88	A	23.6	Very low	28	Very low	92 Å²	92	131 Å²	131	76%	0.76	75%	0.748	S	S	*	*			trans	-103.8	-165.4	167.4	0	0	0	0	0	108.8
89	P	36.5	Very low	27.2	Very low	105 Å²	105	134.3 Å²	134.3	68%	0.682	75%	0.745	S	S	*	*			cis	-140.6	179.7	-5.8	41.2	-22.1	0	0	0	116.8
90	N	25.5	Very low	27.3	Very low	131 Å²	131	141.3 Å²	141.3	70%	0.701	75%	0.752	S	S	*	*			trans	80.4	100.9	142.9	-74.6	-2.7	0	0	0	124.4
91	T	27.9	Very low	27.1	Very low	123 Å²	123	142.1 Å²	142.1	76%	0.755	76%	0.756	S	S	*	*				64.3	166.8	120.3	66.4	0	0	0	0	121.4
92	P	30.2	Very low	27.6	Very low	105 Å²	105	143.3 Å²	143.3	68%	0.682	76%	0.762	S	S	*	*				-133.9	147.9	-56.9	37.3	-22.6	0	0	0	111.7
93	F	23.5	Very low	28	Very low	219 Å²	219	146 Å²	146	96%	0.961	77%	0.769	S	S	*	*			trans	-138.4	132.3	157.7	-102.4	-80.1	0	0	0	112.9
94	H	25.2	Very low	28.5	Very low	163 Å²	163	148.9 Å²	148.9	76%	0.755	78%	0.778	S	S	*	*			trans	-84.6	125.5	-178.6	171.8	56.7	0	0	0	109.3
95	M	24.2	Very low	29	Very low	168 Å²	168	147.2 Å²	147.2	83%	0.828	78%	0.782	S	S	*	*			trans	-137.5	121.7	158.9	-153.6	169.2	-178.5	0	0	110.6
96	Q	24.8	Very low	29.6	Very low	166 Å²	166	145.3 Å²	145.3	78%	0.776	78%	0.78	S	S	*	*			trans	-89.6	116.4	179.4	-179.9	179.3	24.3	0	0	108.3
97	Q	25.5	Very low	29.6	Very low	150 Å²	150	150.1 Å²	150.1	70%	0.701	79%	0.785	S	S	*	*			trans	-141.4	116.4	165.7	-120	171.3	2.6	0	0	108.7
98	G	30.3	Very low	30.4	Very low	72 Å²	72	149.8 Å²	149.8	74%	0.742	77%	0.774	S	S	*	*			trans	-75.7	139.4	174.9	0	0	0	0	0	110
99	Y	26.5	Very low	31.2	Very low	200 Å²	200	149 Å²	149	78%	0.784	76%	0.757	S	S	*	*			trans	-98.6	135.3	164.1	-79.7	-92.8	0	0	0	108.6
100	Y	27.8	Very low	31.4	Very low	216 Å²	216	153 Å²	153	85%	0.847	76%	0.758	S	S	*	*			trans	-78.9	115	156.6	-69.2	-97.7	0	0	0	105.5	D102	Y100-D102 PolarHBondContact O-N 2.79Å
101	D	27.3	Very low	32.3	Very low	165 Å²	165	147.2 Å²	147.2	88%	0.882	73%	0.728	S	S	*	*			trans	-82.2	101.9	162.6	-88.4	-30.6	0	0	0	107.4
102	D	36.4	Very low	33.3	Very low	152 Å²	152	142.2 Å²	142.2	81%	0.813	70%	0.697	S	S	*	*			trans	-129.6	67.9	169.2	-172.4	28.6	0	0	0	106.5	Y100	Y100-D102 PolarHBondContact O-N 2.79Å
103	D	34.9	Very low	33.9	Very low	152 Å²	152	140.8 Å²	140.8	81%	0.813	69%	0.689	S	S	*	*			trans	-167.9	75.7	177.2	-108.6	-28.5	0	0	0	111
104	D	35.6	Very low	34.9	Very low	147 Å²	147	131.7 Å²	131.7	79%	0.786	65%	0.653	S	S	*	*			trans	-136.6	-1.2	172.5	-127.5	-6.1	0	0	0	114.1
105	D	38.3	Very low	35.6	Very low	162 Å²	162	128.1 Å²	128.1	87%	0.866	64%	0.642	S	S	*	*	S	Bend	trans	-93.1	-13.5	-171.6	-89.1	-25	0	0	0	115.6	W107	D105-W107 PolarHBondContact O-N 2.8Å
106	D	34.5	Very low	36.4	Very low	142 Å²	142	124.5 Å²	124.5	76%	0.759	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-3.2	-172.2	-154.3	32.1	0	0	0	114.8
107	W	37.9	Very low	37	Very low	208 Å²	208	123.1 Å²	123.1	79%	0.788	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-12.7	-178.8	-71.1	105.4	0	0	0	115	D105	D105-W107 PolarHBondContact O-N 2.8Å
108	D	42.6	Very low	37.5	Very low	108 Å²	108	123.3 Å²	123.3	58%	0.578	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-83.7	-14.8	-167	-136.7	2.6	0	0	0	114.4	W110 K252	D108-W110 VanDerWaalsContact C-N 3.3Å; D108-W110 PolarHBondContact O-N 3.09Å; D108-K252 IonicContact OD1-NZ 2.7Å; D108-K252 PolarHBondContact OD1-NZ 2.91Å; D108-K252 IonicContact OD2-NZ 2.73Å
109	D	39.3	Very low	37.5	Very low	74 Å²	74	127.8 Å²	127.8	40%	0.396	65%	0.645	S	S	.	*	G	3₁₀ helix	trans	-74.4	-14.8	178.4	-163.4	30.9	0	0	0	113.3	K326 R330	D109-K326 PolarHBondContact O-NZ 3.26Å; D109-K326 IonicContact OD1-NZ 2.95Å; D109-K326 PolarHBondContact OD1-NZ 3.34Å; D109-K326 IonicContact OD2-NZ 3.74Å; D109-R330 IonicContact OD1-CZ 3.89Å; D109-R330 IonicContact OD1-NH2 2.76Å; D109-R330 PolarHBondContact OD1-NH2 3Å; D109-R330 IonicContact OD2-NH2 2.75Å; D109-R330 PolarHBondContact OD2-NH2 2.67Å
110	W	41	Very low	37.6	Very low	189 Å²	189	126.1 Å²	126.1	72%	0.716	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-90.9	-11	-176.6	-64.8	89.8	0	0	0	114.6	D108 D112	D108-W110 VanDerWaalsContact C-N 3.3Å; D108-W110 PolarHBondContact O-N 3.09Å; W110-D112 VanDerWaalsContact C-N 3.27Å; W110-D112 PolarHBondContact O-N 3.25Å
111	D	44.4	Very low	37.6	Very low	11 Å²	11	118.3 Å²	118.3	6%	0.059	64%	0.635	C	S	.	*	T	Hydrogen-bonded Turn	trans	-77.7	-2.9	-171	-171.3	31.7	0	0	0	114.9	K226 K231 R250 K252	D111-K226 PolarHBondContact O-NZ 3.08Å; D111-K231 WeakPolarHBondContact OD1-CE 3.44Å; D111-K231 IonicContact OD1-NZ 3.01Å; D111-K231 PolarHBondContact OD1-NZ 3.24Å; D111-K231 IonicContact OD2-NZ 3.27Å; D111-K231 PolarHBondContact OD2-NZ 2.66Å; D111-R250 VanDerWaalsContact CG-NH1 3.31Å; D111-R250 VanDerWaalsContact CG-NH2 3.29Å; D111-R250 PolarHBondContact O-NH2 2.98Å; D111-R250 VanDerWaalsContact O-NH2 3.09Å; D111-R250 IonicContact OD1-CZ 3.12Å; D111-R250 IonicContact OD1-NH1 3.32Å; D111-R250 PolarHBondContact OD1-NH1 3.23Å; D111-R250 IonicContact OD1-NH2 2.91Å; D111-R250 IonicContact OD2-CZ 2.66Å; D111-R250 IonicContact OD2-NH1 2.83Å; D111-R250 PolarHBondContact OD2-NH1 2.77Å; D111-R250 VanDerWaalsContact OD2-NH1 3.12Å; D111-R250 IonicContact OD2-NH2 2.67Å; D111-R250 PolarHBondContact OD2-NH2 2.82Å; D111-K252 WeakPolarHBondContact OD2-CD 3.19Å; D111-K252 IonicContact OD2-NZ 2.82Å; D111-K252 PolarHBondContact OD2-NZ 3.19Å
112	D	48.6	Very low	37.6	Very low	18 Å²	18	122.2 Å²	122.2	10%	0.096	64%	0.637	C	S	.	*	T	Hydrogen-bonded Turn	trans	-91	-27.1	-166.5	-129.5	1.4	0	0	0	115	W110 S114 K226 H253 W325 K326	W110-D112 VanDerWaalsContact C-N 3.27Å; W110-D112 PolarHBondContact O-N 3.25Å; D112-S114 PolarHBondContact O-N 3.42Å; D112-S114 VanDerWaalsContact O-N 3.13Å; D112-K226 PolarHBondContact O-NZ 3.48Å; D112-H253 IonicContact OD1-NE2 3.75Å; D112-W325 VanDerWaalsContact CG-CD1 3.44Å; D112-W325 PolarHBondContact OD1-NE1 2.86Å; D112-W325 PolarHBondContact OD2-NE1 3.48Å; D112-K326 HydrophobicContact CB-CG 4.26Å; D112-K326 WeakPolarHBondContact OD2-CG 3.49Å
113	S	43.2	Very low	37.1	Very low	74 Å²	74	120.9 Å²	120.9	52%	0.517	64%	0.64	S	S	.	*			trans	-60.6	117.3	-174.3	-175.4	0	0	0	0	113	K226 D322	S113-K226 VanDerWaalsContact C-NZ 3.25Å; S113-K226 VanDerWaalsContact O-CD 3.3Å; S113-K226 WeakPolarHBondContact O-CD 3.44Å; S113-K226 WeakPolarHBondContact O-CE 3.46Å; S113-K226 WeakPolarHBondContact O-CG 3.49Å; S113-K226 PolarHBondContact O-NZ 2.93Å; S113-D322 WeakPolarHBondContact CA-OD2 3.41Å
114	S	44.6	Very low	36.7	Very low	29 Å²	29	117.4 Å²	117.4	20%	0.203	64%	0.64	C	S	.	*			trans	-95.7	102.8	179.3	-175.6	0	0	0	0	109.5	D112 V116 D322	D112-S114 PolarHBondContact O-N 3.42Å; D112-S114 VanDerWaalsContact O-N 3.13Å; S114-V116 PolarHBondContact O-N 3.21Å; S114-D322 WeakPolarHBondContact CB-OD1 3.27Å; S114-D322 PolarHBondContact N-OD2 3.09Å
115	T	40.2	Very low	36.2	Very low	87 Å²	87	114.6 Å²	114.6	53%	0.534	64%	0.637	S	S	.	*			trans	-79	74.4	174.3	53.4	0	0	0	0	110.7	T225	T115-T225 PolarHBondContact OG1-O 3.07Å
116	V	41.1	Very low	35.7	Very low	93 Å²	93	115.1 Å²	115.1	56%	0.564	64%	0.64	S	S	*	*			trans	-73.8	121	147.4	-101.9	0	0	0	0	106.8	S114 D118	S114-V116 PolarHBondContact O-N 3.21Å; V116-D118 PolarHBondContact O-N 3.35Å
117	V	37.7	Very low	35.2	Very low	136 Å²	136	111.2 Å²	111.2	82%	0.824	63%	0.634	S	S	*	*			trans	-89.8	96.7	174.4	-82.3	0	0	0	0	108.5
118	D	35.2	Very low	34.7	Very low	154 Å²	154	110.3 Å²	110.3	82%	0.824	64%	0.637	S	S	*	*			trans	-83.9	130.8	155.5	-69.8	-47	0	0	0	108	V116 D120	V116-D118 PolarHBondContact O-N 3.35Å; D118-D120 PolarHBondContact O-N 2.79Å
119	D	30	Very low	33.8	Very low	167 Å²	167	109.2 Å²	109.2	89%	0.893	64%	0.638	S	S	*	*			trans	-86.5	102.4	-176.8	-177.9	44.1	0	0	0	110.7
120	D	28.7	Very low	33.3	Very low	164 Å²	164	113.6 Å²	113.6	88%	0.877	66%	0.656	S	S	*	*			trans	-158.1	150.6	150.2	-144.2	-21.1	0	0	0	111.6	D118	D118-D120 PolarHBondContact O-N 2.79Å
121	G	27.5	Very low	32.5	Very low	53 Å²	53	112.6 Å²	112.6	55%	0.546	66%	0.66	S	S	.	*			trans	-114.5	145.3	-165	0	0	0	0	0	116.1
122	R	27.5	Very low	31.5	Very low	247 Å²	247	117.9 Å²	117.9	93%	0.932	70%	0.697	S	S	*	*			trans	173.6	124.5	134.6	-94.9	157.4	-176.5	-155.1	1.4	115.8
123	S	27.1	Very low	30.9	Very low	123 Å²	123	123.3 Å²	123.3	86%	0.86	73%	0.733	S	S	*	*			trans	40.6	117.4	137.5	-53.1	0	0	0	0	125.2
124	G	25.3	Very low	30.1	Very low	80 Å²	80	128.8 Å²	128.8	83%	0.825	75%	0.75	S	S	*	*			trans	84.8	163.2	133.8	0	0	0	0	0	119.8
125	A	25.6	Very low	29.1	Very low	87 Å²	87	133.3 Å²	133.3	72%	0.719	78%	0.782	S	S	*	*			cis	-171.6	146.7	-24.7	0	0	0	0	0	110.4
126	N	27.7	Very low	28.5	Very low	173 Å²	173	136.3 Å²	136.3	93%	0.925	80%	0.795	S	S	*	*			trans	62.2	155.3	167.8	-54.2	-13.5	0	0	0	118.2
127	G	24.6	Very low	27.9	Very low	61 Å²	61	139.2 Å²	139.2	63%	0.629	81%	0.807	S	S	*	*			cis	163.8	147.4	-11.1	0	0	0	0	0	113.7
128	H	26.6	Very low	27.8	Very low	188 Å²	188	137.4 Å²	137.4	87%	0.87	80%	0.798	S	S	*	*			trans	68.1	162.4	162.7	-57.6	-67.3	0	0	0	120.8
129	S	23.8	Very low	27.4	Very low	85 Å²	85	137.3 Å²	137.3	59%	0.594	80%	0.798	S	S	*	*			cis	-176.5	166.6	-33.6	-86	0	0	0	0	110.6
130	H	27.8	Very low	27.3	Very low	167 Å²	167	134.3 Å²	134.3	77%	0.773	79%	0.785	S	S	*	*			trans	79.6	157.3	170.2	-62.7	-77.9	0	0	0	118.9
131	Q	25	Very low	27.2	Very low	168 Å²	168	134.7 Å²	134.7	79%	0.785	78%	0.781	S	S	*	*			cis	162.2	141.5	-30.5	-122.3	178.6	-4.3	0	0	106.5
132	S	23.1	Very low	27	Very low	121 Å²	121	143.1 Å²	143.1	85%	0.846	80%	0.798	S	S	*	*			trans	-137.6	152.5	179.1	-61.4	0	0	0	0	112.2
133	P	37.3	Very low	26.8	Very low	132 Å²	132	143.2 Å²	143.2	86%	0.857	80%	0.799	S	S	*	*			trans	-111.8	166.7	177	39.2	-31.1	0	0	0	116
134	H	25.1	Very low	26.7	Very low	190 Å²	190	141.4 Å²	141.4	88%	0.88	79%	0.791	S	S	*	*			trans	-73.5	167.2	-172.4	-59.2	-79.7	0	0	0	118.1
135	S	25	Very low	26.7	Very low	123 Å²	123	147.2 Å²	147.2	86%	0.86	79%	0.794	S	S	*	*			trans	-154.4	152.9	138.6	60	0	0	0	0	113.5
136	N	25.8	Very low	26.9	Very low	151 Å²	151	149.4 Å²	149.4	81%	0.807	80%	0.801	S	S	*	*			trans	-104.4	167	-169.9	-77.9	-25.1	0	0	0	114.8
137	N	28.6	Very low	26.6	Very low	153 Å²	153	150.6 Å²	150.6	82%	0.818	79%	0.794	S	S	*	*				134.5	155.9	127.7	-96.1	2.8	0	0	0	117.8
138	P	36.8	Very low	26.7	Very low	99 Å²	99	156.4 Å²	156.4	64%	0.643	81%	0.807	S	S	*	*			trans	-132.7	-154.1	-141.5	43.6	-24	0	0	0	115.1
139	N	25.3	Very low	26.5	Very low	152 Å²	152	153.8 Å²	153.8	81%	0.813	80%	0.795	S	S	*	*			trans	99.8	143.4	-179.6	-67.7	-27.3	0	0	0	114.2
140	V	28.2	Very low	26.5	Very low	104 Å²	104	158.5 Å²	158.5	63%	0.63	80%	0.8	S	S	*	*			cis	-161	155.2	8.1	100.7	0	0	0	0	115.2
141	H	27.4	Very low	26.4	Very low	172 Å²	172	159.5 Å²	159.5	80%	0.796	81%	0.805	S	S	*	*			trans	54.6	132.9	156.9	-60.2	-41.4	0	0	0	125.9
142	Y	23.2	Very low	26.3	Very low	230 Å²	230	158 Å²	158	90%	0.902	80%	0.802	S	S	*	*			trans	-93.8	157.2	163.2	-90.6	-100.3	0	0	0	113
143	R	24.3	Very low	26.4	Very low	248 Å²	248	158.2 Å²	158.2	94%	0.936	80%	0.804	S	S	*	*			trans	-137.6	147.1	161.5	-165.5	176.7	-173	176.7	3.2	109.7
144	A	23.3	Very low	25.8	Very low	86 Å²	86	159.7 Å²	159.7	71%	0.711	80%	0.803	S	S	*	*			trans	-124.3	144.1	-164.9	0	0	0	0	0	115.4
145	K	26.4	Very low	25.9	Very low	201 Å²	201	156.4 Å²	156.4	87%	0.874	80%	0.801	S	S	*	*			trans	61.9	154.4	144.5	-81.8	-174.5	-178.7	-175	0	118.1
146	P	29.9	Very low	25.9	Very low	134 Å²	134	156.1 Å²	156.1	87%	0.87	80%	0.799	S	S	*	*			cis	-139.4	-156.1	47	42.2	-20.9	0	0	0	116.7
147	Y	21.3	Very low	26	Very low	198 Å²	198	154.8 Å²	154.8	78%	0.776	80%	0.801	S	S	*	*			trans	-135.2	147	-151.4	-178.1	-85.9	0	0	0	110	E149	Y147-E149 HydrophobicContact CE1-CG 4.35Å
148	M	26	Very low	26	Very low	182 Å²	182	159.5 Å²	159.5	90%	0.897	81%	0.808	S	S	*	*			trans	-141.5	133.6	166.5	-78.8	-168.6	71.1	0	0	112.9
149	E	23.6	Very low	25.6	Very low	134 Å²	134	164.7 Å²	164.7	63%	0.626	82%	0.82	S	S	*	*			trans	-65.5	170.5	162.2	-87.2	-170.2	110.1	0	0	111.9	Y147	Y147-E149 HydrophobicContact CE1-CG 4.35Å
150	R	23.4	Very low	25.7	Very low	184 Å²	184	161 Å²	161	69%	0.694	82%	0.818	S	S	*	*			cis	174.5	140.5	-6.9	159.8	-154.8	-92.5	-113.1	6	105.6
151	Q	25.5	Very low	25.5	Very low	188 Å²	188	161.2 Å²	161.2	88%	0.879	82%	0.824	S	S	*	*			trans	178.8	139.2	136.5	-105.6	170.9	-14.9	0	0	115.4
152	D	22.3	Very low	25.8	Very low	137 Å²	137	162.1 Å²	162.1	73%	0.733	83%	0.831	S	S	*	*			trans	-85.4	157	176.8	-53.2	-84.3	0	0	0	113.2
153	S	25.7	Very low	26.2	Very low	125 Å²	125	157 Å²	157	87%	0.874	82%	0.823	S	S	*	*			trans	-151.9	142.1	142.7	49	0	0	0	0	111.9
154	I	24.5	Very low	26.5	Very low	163 Å²	163	148.7 Å²	148.7	84%	0.836	82%	0.815	S	S	*	*			trans	-103.9	136.5	-169.4	-67.7	165.4	0	0	0	110.1
155	S	26.6	Very low	27.1	Very low	121 Å²	121	154.6 Å²	154.6	85%	0.846	82%	0.819	S	S	*	*			trans	-151.5	145.2	146.8	68.2	0	0	0	0	111.1
156	S	25.6	Very low	27.2	Very low	116 Å²	116	152.4 Å²	152.4	81%	0.811	82%	0.817	S	S	*	*			trans	-112.5	144.7	-169.9	57.5	0	0	0	0	112.3
157	S	27.6	Very low	27.4	Very low	123 Å²	123	153.7 Å²	153.7	86%	0.86	82%	0.816	S	S	*	*			trans	-156.4	134	147.4	49.4	0	0	0	0	111.4
158	R	28.3	Very low	27.9	Very low	252 Å²	252	151.3 Å²	151.3	95%	0.951	82%	0.816	S	S	*	*			trans	-75.3	134	-176	-69.9	168.9	164.2	166.4	-7.6	111.4
159	K	29.7	Very low	28.7	Very low	209 Å²	209	151 Å²	151	91%	0.909	81%	0.805	S	S	*	*			trans	-138.9	145.5	149.9	-94.1	-175.7	177.6	176.3	0	109.9
160	G	26.1	Very low	29.4	Very low	75 Å²	75	153.2 Å²	153.2	77%	0.773	81%	0.813	S	S	*	*			trans	-68.5	153.1	-170.9	0	0	0	0	0	114
161	S	25.2	Very low	29.9	Very low	108 Å²	108	148.8 Å²	148.8	76%	0.755	81%	0.811	S	S	*	*			trans	-63.7	129.9	-177.1	-171.5	0	0	0	0	112.7
162	M	32.4	Very low	30.2	Very low	190 Å²	190	144.6 Å²	144.6	94%	0.936	80%	0.802	S	S	*	*			trans	-132.4	98.5	155.4	-81.8	-169.2	-83	0	0	106.9
163	V	33	Very low	30.8	Very low	122 Å²	122	146.8 Å²	146.8	74%	0.739	81%	0.805	S	S	*	*			trans	-115.7	152.5	173	-178.6	0	0	0	0	108.1
164	G	29.7	Very low	31.7	Very low	75 Å²	75	144.9 Å²	144.9	77%	0.773	79%	0.788	S	S	*	*			trans	132.3	0.1	-164.8	0	0	0	0	0	114
165	R	35.6	Very low	32.6	Very low	210 Å²	210	146.5 Å²	146.5	79%	0.792	78%	0.784	S	S	*	*	S	Bend	trans	-82	114.5	160.5	-79.7	-176.9	167.3	177.6	-3.8	108.5	L167	R165-L167 PolarHBondContact O-N 3.12Å; R165-L167 VanDerWaalsContact O-N 3.14Å
166	N	28.7	Very low	33.8	Very low	154 Å²	154	144.7 Å²	144.7	82%	0.824	77%	0.771	S	S	*	*			trans	-47.4	117.3	175.6	-93	-26.6	0	0	0	111.5	N168	N166-N168 PolarHBondContact O-N 3.4Å
167	L	34.1	Very low	35.8	Very low	162 Å²	162	139.5 Å²	139.5	85%	0.848	74%	0.736	S	S	*	*	S	Bend	trans	-79.6	2.3	177.9	-97.8	115.2	0	0	0	114.1	R165 R169	R165-L167 PolarHBondContact O-N 3.12Å; R165-L167 VanDerWaalsContact O-N 3.14Å; L167-R169 PolarHBondContact O-N 2.93Å
168	N	31.4	Very low	38.2	Very low	147 Å²	147	134 Å²	134	79%	0.786	70%	0.697	S	S	*	*			trans	-88.6	41.7	167.7	-71.5	2.4	0	0	0	112.3	N166 F170	N166-N168 PolarHBondContact O-N 3.4Å; N168-F170 PolarHBondContact O-N 2.92Å
169	R	42.8	Very low	40.8	Very low	175 Å²	175	126 Å²	126	66%	0.66	67%	0.67	S	S	*	*	S	Bend	trans	-86.1	94.7	161	-172.8	-170.3	-72.7	-132	-1.9	106.7	L167 D468	L167-R169 PolarHBondContact O-N 2.93Å; R169-D468 IonicContact NH1-OD2 2.68Å; R169-D468 PolarHBondContact NH1-OD2 3.39Å
170	F	38.8	Very low	43.5	Very low	182 Å²	182	117.1 Å²	117.1	80%	0.798	64%	0.637	S	S	*	*			trans	-43.8	136.8	-172.1	-84.2	-91	0	0	0	113.9	N168	N168-F170 PolarHBondContact O-N 2.92Å
171	S	34.6	Very low	46.5	Very low	91 Å²	91	114.1 Å²	114.1	64%	0.636	60%	0.602	S	S	*	*	S	Bend	trans	-65.6	142.9	173.3	47.7	0	0	0	0	112.2	F173	S171-F173 VanDerWaalsContact C-N 3.26Å; S171-F173 PolarHBondContact O-N 2.69Å
172	S	30.8	Very low	49.6	Very low	100 Å²	100	109 Å²	109	70%	0.699	57%	0.566	S	S	*	*	S	Bend	trans	62.9	-5.5	153.8	41.3	0	0	0	0	120.5
173	F	36.4	Very low	52.3	Low	183 Å²	183	102.7 Å²	102.7	80%	0.803	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	124.4	170.1	-78.2	-106.6	0	0	0	108.9	S171	S171-F173 VanDerWaalsContact C-N 3.26Å; S171-F173 PolarHBondContact O-N 2.69Å
174	V	44.5	Very low	54.8	Low	85 Å²	85	98.5 Å²	98.5	52%	0.515	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	cis	-124.2	94	19	177.6	0	0	0	0	110.4
175	R	42.2	Very low	57.5	Low	197 Å²	197	100.3 Å²	100.3	74%	0.743	51%	0.509	S	S	*	.	S	Bend	trans	-81	-20.3	172.8	-112.5	-178.7	179.7	165.5	0.3	113.9
176	S	52.8	Low	59.7	Low	82 Å²	82	91.1 Å²	91.1	57%	0.573	48%	0.477	S	S	*	.	S	Bend	trans	-91.1	-19.3	-171	51.3	0	0	0	0	115.4	A180	S176-A180 WeakPolarHBondContact O-CB 2.96Å; S176-A180 PolarHBondContact O-N 2.7Å
177	G	67.4	Low	61.9	Low	8 Å²	8	87.7 Å²	87.7	8%	0.082	46%	0.463	C	S	.	.	H	α-helix	trans	-63.6	-64.4	-166	0	0	0	0	0	114.3	E179 A180 F181 A340	G177-E179 VanDerWaalsContact C-N 3.28Å; G177-E179 PolarHBondContact O-N 3.21Å; G177-A180 PolarHBondContact O-N 3.38Å; G177-F181 PolarHBondContact O-N 3.48Å; G177-F181 VanDerWaalsContact O-N 3.08Å; G177-A340 WeakPolarHBondContact O-CB 3.5Å
178	V	77.4	Confident	63.4	Low	7 Å²	7	86.9 Å²	86.9	4%	0.042	46%	0.456	C	S	.	.	H	α-helix	trans	-68.3	-30.8	-179.3	-175.2	0	0	0	0	111.6	F181 V182 M343 L472 V507	V178-F181 PolarHBondContact O-N 3.31Å; V178-V182 HydrophobicContact CG1-CG2 4.3Å; V178-V182 WeakPolarHBondContact O-CB 3.29Å; V178-V182 VanDerWaalsContact O-CG2 3.26Å; V178-V182 WeakPolarHBondContact O-CG2 3.3Å; V178-V182 PolarHBondContact O-N 3.32Å; V178-M343 HydrophobicContact CG2-CE 3.84Å; V178-L472 HydrophobicContact CB-CD2 4.22Å; V178-L472 HydrophobicContact CG2-CB 4.39Å; V178-L472 HydrophobicContact CG2-CD1 4.01Å; V178-L472 HydrophobicContact CG2-CD2 4.08Å; V178-L472 HydrophobicContact CG2-CG 4.39Å; V178-V507 HydrophobicContact CG1-CG1 4Å; V178-V507 HydrophobicContact CG1-CG2 3.81Å
179	E	83.7	Confident	64.7	Low	83 Å²	83	87 Å²	87	39%	0.388	46%	0.457	S	S	.	.	H	α-helix	trans	-64.9	-48.1	175.3	-172.3	169.6	-178.1	0	0	111.6	G177 F181 V182 L183 K479	G177-E179 VanDerWaalsContact C-N 3.28Å; G177-E179 PolarHBondContact O-N 3.21Å; E179-F181 VanDerWaalsContact C-N 3.33Å; E179-F181 PolarHBondContact O-N 3.28Å; E179-V182 PolarHBondContact O-N 2.96Å; E179-V182 VanDerWaalsContact O-N 3.12Å; E179-L183 HydrophobicContact CG-CD1 4.01Å; E179-L183 HydrophobicContact CG-CG 4.47Å; E179-L183 WeakPolarHBondContact O-CB 3.47Å; E179-L183 WeakPolarHBondContact O-CG 3.45Å; E179-L183 PolarHBondContact O-N 3.16Å; E179-K479 HydrophobicContact CG-CD 4.45Å; E179-K479 WeakPolarHBondContact OE1-CE 3.49Å; E179-K479 IonicContact OE1-NZ 2.8Å; E179-K479 PolarHBondContact OE1-NZ 3.26Å; E179-K479 VanDerWaalsContact OE1-NZ 3.14Å
180	A	85.8	Confident	65.6	Low	24 Å²	24	79.8 Å²	79.8	20%	0.198	44%	0.435	C	S	.	.	H	α-helix	trans	-59.8	-40.9	174.2	0	0	0	0	0	112	S176 G177 L183 G184 D185 V186	S176-A180 WeakPolarHBondContact O-CB 2.96Å; S176-A180 PolarHBondContact O-N 2.7Å; G177-A180 PolarHBondContact O-N 3.38Å; A180-L183 PolarHBondContact O-N 2.83Å; A180-G184 PolarHBondContact O-N 3.05Å; A180-D185 HydrophobicContact CB-CB 4.09Å; A180-D185 PolarHBondContact O-N 2.96Å; A180-V186 HydrophobicContact CB-CG2 4.43Å
181	F	89.3	Confident	67.1	Low	11 Å²	11	80.5 Å²	80.5	5%	0.048	44%	0.438	C	S	.	.	H	α-helix	trans	-61.3	-46.1	172.5	172.8	-105.2	0	0	0	111.8	G177 V178 E179 L183 G184 V186 A340 M343 L344 R503 T506 V507	G177-F181 PolarHBondContact O-N 3.48Å; G177-F181 VanDerWaalsContact O-N 3.08Å; V178-F181 PolarHBondContact O-N 3.31Å; E179-F181 VanDerWaalsContact C-N 3.33Å; E179-F181 PolarHBondContact O-N 3.28Å; F181-L183 PolarHBondContact O-N 2.74Å; F181-G184 PolarHBondContact O-N 2.9Å; F181-V186 HydrophobicContact CB-CG2 4.07Å; F181-A340 HydrophobicContact CB-CB 4.36Å; F181-M343 HydrophobicContact CB-CB 4.5Å; F181-M343 HydrophobicContact CB-CG 4.37Å; F181-M343 HydrophobicContact CD1-CB 3.59Å; F181-M343 HydrophobicContact CD1-CG 3.72Å; F181-M343 HydrophobicContact CD2-CB 3.64Å; F181-M343 HydrophobicContact CD2-CG 4.39Å; F181-M343 HydrophobicContact CE1-CB 3.56Å; F181-M343 HydrophobicContact CE1-CG 4.08Å; F181-M343 HydrophobicContact CE2-CB 3.62Å; F181-M343 HydrophobicContact CG-CB 3.62Å; F181-M343 HydrophobicContact CG-CG 3.89Å; F181-M343 HydrophobicContact CZ-CB 3.58Å; F181-L344 HydrophobicContact CD2-CD2 4.34Å; F181-L344 HydrophobicContact CE2-CD2 3.9Å; F181-L344 HydrophobicContact CE2-CG 4.47Å; F181-R503 HydrophobicContact CD1-CB 4.28Å; F181-R503 HydrophobicContact CE1-CB 3.79Å; F181-R503 HydrophobicContact CE1-CG 4.4Å; F181-R503 WeakPolarHBondContact CE1-O 3.41Å; F181-R503 HydrophobicContact CE2-CG 4.4Å; F181-R503 HydrophobicContact CZ-CB 3.99Å; F181-R503 HydrophobicContact CZ-CG 4.09Å; F181-R503 WeakPolarHBondContact O-CD 3.41Å; F181-R503 PolarHBondContact O-NE 2.87Å; F181-T506 HydrophobicContact CE1-CG2 4.38Å; F181-T506 HydrophobicContact CZ-CG2 4.15Å; F181-V507 HydrophobicContact CD1-CG2 3.98Å; F181-V507 HydrophobicContact CE1-CG2 3.96Å
182	V	89.9	Confident	69.2	Low	1 Å²	1	80 Å²	80	1%	0.006	43%	0.427	C	S	.	.	H	α-helix	trans	-65.5	-39.2	180	167.9	0	0	0	0	111.5	V178 E179 A476 K479 V500 R503 C504 V507	V178-V182 HydrophobicContact CG1-CG2 4.3Å; V178-V182 WeakPolarHBondContact O-CB 3.29Å; V178-V182 VanDerWaalsContact O-CG2 3.26Å; V178-V182 WeakPolarHBondContact O-CG2 3.3Å; V178-V182 PolarHBondContact O-N 3.32Å; E179-V182 PolarHBondContact O-N 2.96Å; E179-V182 VanDerWaalsContact O-N 3.12Å; V182-A476 HydrophobicContact CG2-CB 3.8Å; V182-K479 HydrophobicContact CG1-CB 3.94Å; V182-V500 HydrophobicContact CG1-CG1 3.76Å; V182-V500 WeakPolarHBondContact O-CA 3.47Å; V182-R503 VanDerWaalsContact O-CZ 3.31Å; V182-R503 PolarHBondContact O-NE 3.32Å; V182-R503 PolarHBondContact O-NH2 3.49Å; V182-C504 HydrophobicContact CG1-CB 4.47Å; V182-V507 HydrophobicContact CG2-CG2 4.21Å
183	L	89.4	Confident	71.5	Confident	57 Å²	57	80.1 Å²	80.1	30%	0.298	44%	0.435	S	S	.	.	H	α-helix	trans	-72.7	-25.8	175.5	-69	175.7	0	0	0	113.5	E179 A180 F181 D185 K479 R503	E179-L183 HydrophobicContact CG-CD1 4.01Å; E179-L183 HydrophobicContact CG-CG 4.47Å; E179-L183 WeakPolarHBondContact O-CB 3.47Å; E179-L183 WeakPolarHBondContact O-CG 3.45Å; E179-L183 PolarHBondContact O-N 3.16Å; A180-L183 PolarHBondContact O-N 2.83Å; F181-L183 PolarHBondContact O-N 2.74Å; L183-D185 WeakPolarHBondContact CB-OD2 3.27Å; L183-K479 HydrophobicContact CD2-CD 4.12Å; L183-R503 PolarHBondContact O-NH2 3.32Å
184	G	86.1	Confident	73.8	Confident	34 Å²	34	73.4 Å²	73.4	35%	0.351	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.9	9.1	179.4	0	0	0	0	0	114.2	A180 F181 V186 R503	A180-G184 PolarHBondContact O-N 3.05Å; F181-G184 PolarHBondContact O-N 2.9Å; G184-V186 PolarHBondContact O-N 2.86Å; G184-R503 VanDerWaalsContact CA-CZ 3.46Å
185	D	85.7	Confident	76	Confident	113 Å²	113	71.8 Å²	71.8	60%	0.604	40%	0.398	S	S	*	.			trans	-71.2	6.2	179.6	-54.3	-46.2	0	0	0	113.6	A180 L183 P187	A180-D185 HydrophobicContact CB-CB 4.09Å; A180-D185 PolarHBondContact O-N 2.96Å; L183-D185 WeakPolarHBondContact CB-OD2 3.27Å; D185-P187 WeakPolarHBondContact O-CD 3.38Å
186	V	81.9	Confident	78.5	Confident	17 Å²	17	62.9 Å²	62.9	10%	0.103	36%	0.364	C	S	.	.	S	Bend	trans	-91.1	117.1	-179.2	177.1	0	0	0	0	110.1	A180 F181 G184 M188 A340 N341 L344	A180-V186 HydrophobicContact CB-CG2 4.43Å; F181-V186 HydrophobicContact CB-CG2 4.07Å; G184-V186 PolarHBondContact O-N 2.86Å; V186-M188 PolarHBondContact O-N 3.37Å; V186-A340 HydrophobicContact CG2-CB 3.7Å; V186-N341 WeakPolarHBondContact CG1-OD1 3.24Å; V186-L344 HydrophobicContact CG1-CD1 3.73Å; V186-L344 HydrophobicContact CG1-CG 4.39Å
187	P	74.8	Confident	80.6	Confident	83 Å²	83	61 Å²	61	54%	0.539	35%	0.349	S	S	.	.			trans	-65.7	125.2	179.3	-20.6	33.2	0	0	0	112.4	D185 N189	D185-P187 WeakPolarHBondContact O-CD 3.38Å; P187-N189 PolarHBondContact O-N 2.63Å
188	M	66.5	Low	82	Confident	144 Å²	144	60.7 Å²	60.7	71%	0.709	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	15.2	174.2	-81.9	-75.9	-176.3	0	0	114.6	V186 L344	V186-M188 PolarHBondContact O-N 3.37Å; M188-L344 HydrophobicContact CE-CD2 3.58Å; M188-L344 HydrophobicContact SD-CD2 4.08Å
189	N	58.2	Low	82.9	Confident	150 Å²	150	63.8 Å²	63.8	80%	0.802	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-12.1	-171.7	-61.1	-10.1	0	0	0	113.2	P187	P187-N189 PolarHBondContact O-N 2.63Å
190	A	62.5	Low	83.5	Confident	24 Å²	24	62.9 Å²	62.9	20%	0.198	36%	0.356	C	S	.	.	S	Bend	trans	-73.2	135.7	178.5	0	0	0	0	0	111.3	I192 M337	A190-I192 PolarHBondContact O-N 2.63Å; A190-I192 VanDerWaalsContact O-N 3.11Å; A190-M337 HydrophobicContact CB-SD 3.85Å
191	K	69.3	Low	83.9	Confident	197 Å²	197	62.6 Å²	62.6	86%	0.857	36%	0.356	S	S	*	.			trans	-73.6	102.2	171.6	-73.5	-177.5	178.7	177.8	0	109.4	A193	K191-A193 PolarHBondContact O-N 2.98Å
192	I	78.4	Confident	84.1	Confident	79 Å²	79	68.6 Å²	68.6	41%	0.405	40%	0.396	S	S	.	.			trans	-68.9	95.9	175.4	-55.5	173.1	0	0	0	108.7	A190 E194 M337 L344	A190-I192 PolarHBondContact O-N 2.63Å; A190-I192 VanDerWaalsContact O-N 3.11Å; I192-E194 WeakPolarHBondContact CG2-O 3.45Å; I192-M337 HydrophobicContact CG1-CE 4.1Å; I192-L344 HydrophobicContact CD1-CB 3.92Å
193	A	78.4	Confident	84.2	Confident	104 Å²	104	73.6 Å²	73.6	86%	0.86	42%	0.418	S	S	*	.			trans	-90.5	-26.6	179.7	0	0	0	0	0	113.1	K191	K191-A193 PolarHBondContact O-N 2.98Å
194	E	85.5	Confident	84.5	Confident	41 Å²	41	71.7 Å²	71.7	19%	0.192	41%	0.412	C	S	.	.			trans	-107.6	150.8	177.3	72.4	-169.7	145.7	0	0	110.4	I192 Y196 K264 M337 T345	I192-E194 WeakPolarHBondContact CG2-O 3.45Å; E194-Y196 HydrophobicContact CB-CE2 4.31Å; E194-Y196 HydrophobicContact CG-CE2 3.86Å; E194-Y196 WeakPolarHBondContact OE2-CE2 3.46Å; E194-Y196 PolarHBondContact OE2-OH 2.94Å; E194-K264 WeakPolarHBondContact OE1-CE 3.46Å; E194-K264 IonicContact OE1-NZ 3.29Å; E194-K264 PolarHBondContact OE1-NZ 3.42Å; E194-K264 IonicContact OE2-NZ 3.65Å; E194-K264 PolarHBondContact OE2-NZ 3.44Å; E194-M337 VanDerWaalsContact OE1-CB 3.3Å; E194-M337 WeakPolarHBondContact OE1-CB 3.42Å; E194-T345 HydrophobicContact CG-CG2 3.58Å
195	S	90.9	Very high	85	Confident	51 Å²	51	70 Å²	70	36%	0.357	40%	0.395	S	S	.	.			trans	-151.6	136.3	171.9	-168.1	0	0	0	0	111.9	T345 Q347	S195-T345 CarbonylContact C-O 3.6Å; S195-T345 WeakPolarHBondContact CA-O 3.27Å; S195-T345 WeakPolarHBondContact CB-O 3.26Å; S195-T345 PolarHBondContact OG-O 3.45Å; S195-Q347 WeakPolarHBondContact OG-CG 3.46Å; S195-Q347 PolarHBondContact OG-NE2 2.81Å
196	Y	94.1	Very high	85.6	Confident	10 Å²	10	66.5 Å²	66.5	4%	0.039	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.7	-179	-52.3	-88.5	0	0	0	109	E194 V306 Q309 F342 T345 F346 Q347	E194-Y196 HydrophobicContact CB-CE2 4.31Å; E194-Y196 HydrophobicContact CG-CE2 3.86Å; E194-Y196 WeakPolarHBondContact OE2-CE2 3.46Å; E194-Y196 PolarHBondContact OE2-OH 2.94Å; Y196-V306 HydrophobicContact CD1-CB 4.1Å; Y196-V306 HydrophobicContact CD1-CG1 3.73Å; Y196-V306 HydrophobicContact CD1-CG2 4.11Å; Y196-V306 HydrophobicContact CE1-CB 4.34Å; Y196-V306 HydrophobicContact CE1-CG1 3.71Å; Y196-V306 HydrophobicContact CG-CG1 4.15Å; Y196-V306 HydrophobicContact CG-CG2 4.41Å; Y196-Q309 HydrophobicContact CE1-CB 4.19Å; Y196-F342 AromaticContact CD2-CE2 3.98Å; Y196-F342 HydrophobicContact CD2-CE2 3.98Å; Y196-F342 AromaticContact CE2-CE2 3.72Å; Y196-F342 HydrophobicContact CE2-CE2 3.72Å; Y196-T345 WeakPolarHBondContact CD2-OG1 3.44Å; Y196-T345 PolarHBondContact N-O 2.74Å; Y196-F346 HydrophobicContact CD2-CE1 4.5Å; Y196-F346 WeakPolarHBondContact O-CA 3.49Å; Y196-Q347 PolarHBondContact O-N 2.83Å
197	T	96.6	Very high	86.3	Confident	42 Å²	42	66.1 Å²	66.1	26%	0.258	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	136	-178.8	-47	0	0	0	0	111.2	K208 Q347	T197-K208 HydrophobicContact CG2-CB 4.44Å; T197-K208 HydrophobicContact CG2-CD 4.12Å; T197-K208 VanDerWaalsContact O-CB 3.28Å; T197-K208 WeakPolarHBondContact O-CB 3.34Å; T197-K208 PolarHBondContact O-N 2.95Å; T197-Q347 HydrophobicContact CG2-CB 4.27Å; T197-Q347 PolarHBondContact OG1-OE1 2.71Å
198	I	97.6	Very high	87.4	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.015	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.3	166	-61.2	172.3	0	0	0	107.3	P205 Q206 W207 Q347 I348 P349 F509 A510 A513	I198-P205 HydrophobicContact CG2-CB 4.01Å; I198-Q206 WeakPolarHBondContact CA-O 3.42Å; I198-W207 HydrophobicContact CD1-CE3 4.24Å; I198-W207 HydrophobicContact CD1-CH2 3.92Å; I198-W207 HydrophobicContact CD1-CZ3 3.61Å; I198-W207 HydrophobicContact CG1-CE3 3.6Å; I198-W207 HydrophobicContact CG1-CH2 4.2Å; I198-W207 HydrophobicContact CG1-CZ3 3.4Å; I198-W207 VanDerWaalsContact CG1-CZ3 3.4Å; I198-Q347 PolarHBondContact N-O 3.07Å; I198-I348 HydrophobicContact CD1-CG2 4.33Å; I198-P349 HydrophobicContact CG2-CG 4.47Å; I198-P349 WeakPolarHBondContact O-CD 3.21Å; I198-P349 WeakPolarHBondContact O-CG 3.42Å; I198-F509 HydrophobicContact CD1-CB 4.01Å; I198-F509 HydrophobicContact CG2-CB 4.41Å; I198-F509 HydrophobicContact CG2-CD1 4.42Å; I198-A510 HydrophobicContact CD1-CB 4.02Å; I198-A513 HydrophobicContact CD1-CB 4.41Å; I198-A513 HydrophobicContact CG1-CB 4.36Å; I198-A513 HydrophobicContact CG2-CB 4.22Å
199	E	96.4	Very high	88.7	Confident	72 Å²	72	66.1 Å²	66.1	34%	0.336	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	166	178.9	60	174.6	-142.7	0	0	110.8	P205 Q206 K208	E199-P205 CarbonylContact O-C 3.53Å; E199-P205 WeakPolarHBondContact O-CA 3.37Å; E199-Q206 HydrophobicContact CG-CG 3.75Å; E199-Q206 PolarHBondContact N-O 3.22Å; E199-Q206 PolarHBondContact O-N 3.22Å; E199-Q206 PolarHBondContact OE1-NE2 3.43Å; E199-K208 HydrophobicContact CG-CB 4.34Å
200	M	96.3	Very high	90.2	Very high	63 Å²	63	59.6 Å²	59.6	31%	0.31	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	111.9	178.2	-68	-60.2	-66.1	0	0	110.1	P205 P349 E351 F509	M200-P205 HydrophobicContact CE-CG 4.28Å; M200-P205 HydrophobicContact SD-CB 4.2Å; M200-P205 HydrophobicContact SD-CG 3.72Å; M200-P349 HydrophobicContact CG-CB 3.86Å; M200-P349 HydrophobicContact CG-CG 3.73Å; M200-P349 HydrophobicContact SD-CG 4.06Å; M200-E351 WeakPolarHBondContact CE-OE2 3.35Å; M200-E351 WeakPolarHBondContact CG-OE2 3.38Å; M200-F509 HydrophobicContact SD-CE1 3.99Å
201	G	93.9	Very high	91.4	Very high	18 Å²	18	63.4 Å²	63.4	19%	0.186	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	180	176.6	0	0	0	0	0	113.2	K203 G204	G201-K203 PolarHBondContact O-N 3.18Å; G201-G204 PolarHBondContact N-O 3Å; G201-G204 PolarHBondContact O-N 3.05Å
202	P	93.6	Very high	92.4	Very high	138 Å²	138	59 Å²	59	90%	0.896	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.7	-177.7	-24.6	34.9	0	0	0	115.4
203	K	92.8	Very high	93.1	Very high	106 Å²	106	60.3 Å²	60.3	46%	0.461	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	17.6	175.3	-63.8	-176.2	178.9	179.3	0	112.2	G201 R361 N516 E523	G201-K203 PolarHBondContact O-N 3.18Å; K203-R361 PolarHBondContact O-NH2 2.94Å; K203-N516 PolarHBondContact O-ND2 3.24Å; K203-E523 IonicContact NZ-OE1 2.79Å; K203-E523 IonicContact NZ-OE2 2.82Å; K203-E523 PolarHBondContact NZ-OE2 2.9Å
204	G	94.6	Very high	93.9	Very high	16 Å²	16	56.9 Å²	56.9	17%	0.165	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	90.4	-152.6	-173.4	0	0	0	0	0	112.8	G201 Q206	G201-G204 PolarHBondContact N-O 3Å; G201-G204 PolarHBondContact O-N 3.05Å; G204-Q206 PolarHBondContact O-N 3.01Å
205	P	97.3	Very high	94.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	135.9	-176.3	-26.3	34.7	0	0	0	113.1	I198 E199 M200 F509 Q512 A513 N516	I198-P205 HydrophobicContact CG2-CB 4.01Å; E199-P205 CarbonylContact O-C 3.53Å; E199-P205 WeakPolarHBondContact O-CA 3.37Å; M200-P205 HydrophobicContact CE-CG 4.28Å; M200-P205 HydrophobicContact SD-CB 4.2Å; M200-P205 HydrophobicContact SD-CG 3.72Å; P205-F509 HydrophobicContact CB-CD1 3.89Å; P205-F509 HydrophobicContact CG-CD1 3.61Å; P205-F509 HydrophobicContact CG-CE1 3.88Å; P205-Q512 HydrophobicContact CB-CB 3.89Å; P205-Q512 HydrophobicContact CG-CB 3.86Å; P205-A513 WeakPolarHBondContact O-CA 3.47Å; P205-N516 PolarHBondContact O-ND2 3.48Å
206	Q	97.4	Very high	94.7	Very high	38 Å²	38	56.6 Å²	56.6	18%	0.178	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	152.8	175.7	66.6	-174.7	21.1	0	0	110.8	I198 E199 G204 K208	I198-Q206 WeakPolarHBondContact CA-O 3.42Å; E199-Q206 HydrophobicContact CG-CG 3.75Å; E199-Q206 PolarHBondContact N-O 3.22Å; E199-Q206 PolarHBondContact O-N 3.22Å; E199-Q206 PolarHBondContact OE1-NE2 3.43Å; G204-Q206 PolarHBondContact O-N 3.01Å; Q206-K208 PolarHBondContact O-N 2.96Å
207	W	97.6	Very high	94.9	Very high	9 Å²	9	58 Å²	58	3%	0.034	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	132.3	169.5	-65	122.6	0	0	0	108.8	I198 E209 I268 H304 P305 V306 F346 A510 A513 E514	I198-W207 HydrophobicContact CD1-CE3 4.24Å; I198-W207 HydrophobicContact CD1-CH2 3.92Å; I198-W207 HydrophobicContact CD1-CZ3 3.61Å; I198-W207 HydrophobicContact CG1-CE3 3.6Å; I198-W207 HydrophobicContact CG1-CH2 4.2Å; I198-W207 HydrophobicContact CG1-CZ3 3.4Å; I198-W207 VanDerWaalsContact CG1-CZ3 3.4Å; W207-E209 PolarHBondContact O-N 3.13Å; W207-I268 HydrophobicContact CH2-CD1 4.03Å; W207-I268 HydrophobicContact CZ2-CD1 3.3Å; W207-H304 AromaticContact CD1-CE1 3.97Å; W207-H304 AromaticContact NE1-CE1 3.91Å; W207-P305 HydrophobicContact CB-CB 3.93Å; W207-P305 HydrophobicContact CB-CG 4Å; W207-V306 HydrophobicContact CD2-CG2 3.54Å; W207-V306 HydrophobicContact CE3-CG2 3.55Å; W207-V306 HydrophobicContact CG-CG2 4.07Å; W207-V306 HydrophobicContact CH2-CG2 4.22Å; W207-V306 HydrophobicContact CZ2-CG2 4.21Å; W207-V306 HydrophobicContact CZ3-CG2 3.89Å; W207-F346 HydrophobicContact CH2-CD1 4.33Å; W207-F346 AromaticContact CH2-CE1 3.73Å; W207-F346 HydrophobicContact CH2-CE1 3.73Å; W207-F346 HydrophobicContact CH2-CE2 4.35Å; W207-F346 AromaticContact CH2-CZ 3.73Å; W207-F346 HydrophobicContact CH2-CZ 3.73Å; W207-F346 HydrophobicContact CZ3-CD1 4.18Å; W207-F346 AromaticContact CZ3-CE1 3.93Å; W207-F346 HydrophobicContact CZ3-CE1 3.93Å; W207-F346 HydrophobicContact CZ3-CZ 4.38Å; W207-A510 HydrophobicContact CH2-CB 3.8Å; W207-A510 HydrophobicContact CZ2-CB 4.23Å; W207-A513 HydrophobicContact CD2-CB 3.8Å; W207-A513 HydrophobicContact CE3-CB 4.34Å; W207-A513 HydrophobicContact CG-CB 4.01Å; W207-A513 HydrophobicContact CZ2-CB 4.15Å; W207-E514 PolarHBondContact NE1-OE2 3.36Å
208	K	96.7	Very high	94.9	Very high	107 Å²	107	56.3 Å²	56.3	47%	0.465	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-64.5	131.6	170	-178.2	179.1	178.8	-176.7	0	109	T197 E199 Q206 P305	T197-K208 HydrophobicContact CG2-CB 4.44Å; T197-K208 HydrophobicContact CG2-CD 4.12Å; T197-K208 VanDerWaalsContact O-CB 3.28Å; T197-K208 WeakPolarHBondContact O-CB 3.34Å; T197-K208 PolarHBondContact O-N 2.95Å; E199-K208 HydrophobicContact CG-CB 4.34Å; Q206-K208 PolarHBondContact O-N 2.96Å; K208-P305 WeakPolarHBondContact O-CB 3.26Å
209	E	94.3	Very high	94.7	Very high	120 Å²	120	59.7 Å²	59.7	56%	0.561	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-56.8	148.2	-179.2	-71.8	-63.4	167.5	0	0	112.9	W207	W207-E209 PolarHBondContact O-N 3.13Å
210	S	90	Very high	94.4	Very high	13 Å²	13	59.6 Å²	59.6	9%	0.091	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-61.8	132.1	176.2	179	0	0	0	0	110	T212 P213	S210-T212 PolarHBondContact O-N 3.21Å; S210-P213 WeakPolarHBondContact O-CD 3.38Å
211	P	88.1	Confident	94.2	Very high	104 Å²	104	58.8 Å²	58.8	68%	0.675	34%	0.339	S	S	*	.	S	Bend	trans	-67.8	-20.6	-179	28	-35.1	0	0	0	113
212	T	89.3	Confident	94.1	Very high	105 Å²	105	60.6 Å²	60.6	64%	0.644	35%	0.346	S	S	*	.	S	Bend	trans	-130.9	73.8	178.9	52.8	0	0	0	0	109.5	S210	S210-T212 PolarHBondContact O-N 3.21Å
213	P	93.7	Very high	94	Very high	107 Å²	107	60.4 Å²	60.4	70%	0.695	33%	0.331	S	S	*	.			trans	-65.9	139.7	179.7	29	-34.4	0	0	0	110.2	S210	S210-P213 WeakPolarHBondContact O-CD 3.38Å
214	F	95.8	Very high	93.8	Very high	32 Å²	32	57.2 Å²	57.2	14%	0.14	32%	0.318	C	S	.	.			trans	-143.4	170.2	178	69.9	-87.3	0	0	0	110.2	P240 H242 T302 F313 L317	F214-P240 HydrophobicContact CD2-CB 4.37Å; F214-H242 HydrophobicContact CB-CB 4.1Å; F214-H242 WeakPolarHBondContact CB-ND1 3.35Å; F214-H242 AromaticContact CD1-ND1 3.72Å; F214-H242 AromaticContact CD2-CE1 3.8Å; F214-H242 AromaticContact CD2-ND1 3.42Å; F214-H242 WeakPolarHBondContact CD2-ND1 3.48Å; F214-H242 AromaticContact CG-CE1 3.91Å; F214-H242 AromaticContact CG-ND1 3.21Å; F214-H242 WeakPolarHBondContact CG-ND1 3.37Å; F214-T302 HydrophobicContact CD2-CG2 4.07Å; F214-T302 HydrophobicContact CE2-CG2 3.52Å; F214-T302 HydrophobicContact CZ-CG2 4.12Å; F214-F313 HydrophobicContact CZ-CE1 4.05Å; F214-L317 HydrophobicContact CE2-CD1 3.45Å; F214-L317 VanDerWaalsContact CE2-CD1 3.45Å; F214-L317 HydrophobicContact CZ-CD1 3.64Å
215	S	96.5	Very high	93.5	Very high	70 Å²	70	59.5 Å²	59.5	49%	0.49	33%	0.329	S	S	.	.			trans	-127.1	165.1	172.3	60.2	0	0	0	0	109.2	P240 S241	S215-P240 WeakPolarHBondContact O-CA 3.05Å; S215-S241 PolarHBondContact N-OG 3.42Å; S215-S241 WeakPolarHBondContact O-CB 3.35Å; S215-S241 PolarHBondContact O-N 3.42Å; S215-S241 PolarHBondContact O-OG 2.85Å; S215-S241 PolarHBondContact OG-OG 3.33Å
216	C	96.9	Very high	92.7	Very high	16 Å²	16	59.7 Å²	59.7	11%	0.108	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	128.4	178	-175.7	0	0	0	0	111	V238 T239 P240 M298 T302 L317	C216-V238 WeakPolarHBondContact SG-CG1 3.41Å; C216-T239 WeakPolarHBondContact CA-O 3.48Å; C216-T239 VanDerWaalsContact SG-C 3.53Å; C216-T239 PolarHBondContact SG-O 3.05Å; C216-P240 HydrophobicContact CB-CB 4.43Å; C216-M298 HydrophobicContact CB-CG 3.65Å; C216-M298 HydrophobicContact CB-SD 3.74Å; C216-T302 HydrophobicContact CB-CG2 3.98Å; C216-L317 HydrophobicContact CB-CD2 4.38Å
217	S	97.1	Very high	91.9	Very high	40 Å²	40	62.9 Å²	62.9	28%	0.28	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	152.3	174.9	75.2	0	0	0	0	111.5	E219 V238 T239	S217-E219 WeakPolarHBondContact CB-OE1 3.2Å; S217-E219 PolarHBondContact OG-OE1 3.31Å; S217-V238 WeakPolarHBondContact O-CA 3.44Å; S217-T239 PolarHBondContact N-O 3.25Å; S217-T239 PolarHBondContact O-N 3.28Å
218	I	97.1	Very high	91	Very high	5 Å²	5	73 Å²	73	3%	0.026	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	112.2	173.6	-62.2	-174.9	0	0	0	108.3	Y236 R237 V238 F254 L294 I295 M298	I218-Y236 HydrophobicContact CG2-CD1 4.14Å; I218-Y236 HydrophobicContact CG2-CG 4.22Å; I218-R237 WeakPolarHBondContact CA-O 3.41Å; I218-V238 HydrophobicContact CG1-CG2 4.4Å; I218-F254 HydrophobicContact CD1-CE1 3.81Å; I218-F254 HydrophobicContact CD1-CZ 3.9Å; I218-L294 HydrophobicContact CD1-CB 4.03Å; I218-L294 WeakPolarHBondContact CD1-O 3.37Å; I218-I295 HydrophobicContact CB-CG1 3.87Å; I218-M298 HydrophobicContact CD1-CB 3.67Å; I218-M298 HydrophobicContact CD1-CE 3.93Å; I218-M298 HydrophobicContact CD1-CG 4.05Å; I218-M298 HydrophobicContact CG1-CB 4.31Å; I218-M298 HydrophobicContact CG1-CE 4.49Å; I218-M298 HydrophobicContact CG1-CG 4.28Å
219	E	94.4	Very high	90.1	Very high	74 Å²	74	69.6 Å²	69.6	35%	0.346	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	179.3	-166.2	-71.9	166.1	-143.4	0	0	111.1	S217 R237	S217-E219 WeakPolarHBondContact CB-OE1 3.2Å; S217-E219 PolarHBondContact OG-OE1 3.31Å; E219-R237 HydrophobicContact CB-CB 4.43Å; E219-R237 PolarHBondContact N-O 3.15Å; E219-R237 PolarHBondContact O-N 3.5Å
220	D	90.1	Very high	89.3	Confident	71 Å²	71	71 Å²	71	38%	0.38	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	42.4	65.3	165.1	-52.9	-24.3	0	0	0	115.3	T222 R237	D220-T222 PolarHBondContact O-N 3.06Å; D220-R237 HydrophobicContact CB-CB 3.98Å; D220-R237 WeakPolarHBondContact OD2-CD 3.36Å; D220-R237 IonicContact OD2-CZ 3.4Å; D220-R237 IonicContact OD2-NE 2.87Å; D220-R237 IonicContact OD2-NH1 2.92Å; D220-R237 PolarHBondContact OD2-NH1 3.02Å
221	P	91.9	Very high	89.1	Confident	45 Å²	45	74.5 Å²	74.5	29%	0.292	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	100	174.9	28.5	-34.3	0	0	0	110.2	I234 S235 Y236 I287 K291	P221-I234 HydrophobicContact CB-CG2 3.91Å; P221-S235 WeakPolarHBondContact CA-O 3.45Å; P221-Y236 HydrophobicContact CB-CD1 4.04Å; P221-Y236 HydrophobicContact CB-CE1 3.86Å; P221-I287 HydrophobicContact CB-CG2 3.57Å; P221-I287 HydrophobicContact CG-CG2 3.96Å; P221-K291 HydrophobicContact CG-CD 4.37Å
222	T	91.8	Very high	89.2	Confident	56 Å²	56	71 Å²	71	34%	0.344	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.9	-174.3	47.4	0	0	0	0	111.4	D220 Q224 I234 S235	D220-T222 PolarHBondContact O-N 3.06Å; T222-Q224 PolarHBondContact O-N 3.27Å; T222-I234 WeakPolarHBondContact O-CA 3.47Å; T222-S235 PolarHBondContact N-O 3.29Å; T222-S235 PolarHBondContact O-N 3.4Å; T222-S235 PolarHBondContact OG1-O 3.5Å
223	K	91.6	Very high	89.3	Confident	135 Å²	135	67.4 Å²	67.4	59%	0.587	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	108.4	173.6	-172.8	179.5	-179.3	-178.7	0	109.4	I234	K223-I234 HydrophobicContact CB-CD1 3.97Å; K223-I234 HydrophobicContact CG-CD1 4.32Å
224	Q	88.7	Confident	89.3	Confident	38 Å²	38	63.1 Å²	63.1	18%	0.178	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	160.7	176.7	-68	-174.3	-12.3	0	0	111	T222 T232 Y233 S235	T222-Q224 PolarHBondContact O-N 3.27Å; Q224-T232 WeakPolarHBondContact O-CA 3.36Å; Q224-Y233 HydrophobicContact CB-CD2 4.24Å; Q224-Y233 HydrophobicContact CB-CE1 4.21Å; Q224-Y233 HydrophobicContact CB-CE2 3.64Å; Q224-Y233 HydrophobicContact CG-CE2 4.38Å; Q224-Y233 PolarHBondContact N-O 3.16Å; Q224-Y233 PolarHBondContact O-N 3.05Å; Q224-Y233 VanDerWaalsContact OE1-CE2 3.25Å; Q224-Y233 PolarHBondContact OE1-OH 3.49Å; Q224-S235 PolarHBondContact OE1-OG 3.01Å
225	T	87.6	Confident	89.3	Confident	64 Å²	64	61.7 Å²	61.7	39%	0.393	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144.5	177.7	87.4	0	0	0	0	110.7	T115 K231 T232	T115-T225 PolarHBondContact OG1-O 3.07Å; T225-K231 CarbonylContact C-O 3.56Å; T225-K231 WeakPolarHBondContact CA-O 3.39Å; T225-T232 HydrophobicContact CG2-CG2 3.77Å
226	K	81.3	Confident	89.3	Confident	5 Å²	5	58.4 Å²	58.4	2%	0.022	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	164.4	171.8	-83.8	172.5	-168.8	-135.2	0	109.5	D111 D112 S113 K228 G229 I230 K231 Y233	D111-K226 PolarHBondContact O-NZ 3.08Å; D112-K226 PolarHBondContact O-NZ 3.48Å; S113-K226 VanDerWaalsContact C-NZ 3.25Å; S113-K226 VanDerWaalsContact O-CD 3.3Å; S113-K226 WeakPolarHBondContact O-CD 3.44Å; S113-K226 WeakPolarHBondContact O-CE 3.46Å; S113-K226 WeakPolarHBondContact O-CG 3.49Å; S113-K226 PolarHBondContact O-NZ 2.93Å; K226-K228 PolarHBondContact O-N 2.87Å; K226-G229 PolarHBondContact O-N 2.83Å; K226-I230 PolarHBondContact O-N 3.42Å; K226-K231 HydrophobicContact CB-CB 4.42Å; K226-K231 PolarHBondContact N-O 3.28Å; K226-K231 PolarHBondContact O-N 3.42Å; K226-Y233 HydrophobicContact CB-CE1 4.38Å; K226-Y233 HydrophobicContact CD-CE1 3.7Å; K226-Y233 VanDerWaalsContact CE-OH 3.29Å; K226-Y233 WeakPolarHBondContact CE-OH 3.42Å; K226-Y233 HydrophobicContact CG-CE1 3.76Å
227	F	79.7	Confident	89.3	Confident	104 Å²	104	61.3 Å²	61.3	46%	0.456	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	52.6	51.7	177.3	-52.2	-73	0	0	0	112.6	G229 I230 K231	F227-G229 PolarHBondContact O-N 2.81Å; F227-I230 HydrophobicContact CB-CB 4.17Å; F227-I230 HydrophobicContact CB-CD1 4.41Å; F227-I230 WeakPolarHBondContact O-CB 3.4Å; F227-I230 WeakPolarHBondContact O-CD1 3.09Å; F227-I230 VanDerWaalsContact O-CG1 3.26Å; F227-I230 WeakPolarHBondContact O-CG1 3.47Å; F227-I230 PolarHBondContact O-N 3.07Å; F227-K231 HydrophobicContact CD2-CB 4.08Å; F227-K231 HydrophobicContact CD2-CD 4.48Å; F227-K231 HydrophobicContact CE2-CD 4.33Å
228	K	78.9	Confident	89.3	Confident	222 Å²	222	59.4 Å²	59.4	97%	0.965	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	53	37.1	179.9	-55.9	-177.2	-179.1	-179.1	0	114.2	K226	K226-K228 PolarHBondContact O-N 2.87Å
229	G	77.1	Confident	89.3	Confident	35 Å²	35	60.3 Å²	60.3	36%	0.361	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	100.6	-13.3	176.6	0	0	0	0	0	115.4	K226 F227 K231	K226-G229 PolarHBondContact O-N 2.83Å; F227-G229 PolarHBondContact O-N 2.81Å; G229-K231 VanDerWaalsContact C-N 3.32Å; G229-K231 PolarHBondContact O-N 2.94Å
230	I	78.8	Confident	89.4	Confident	151 Å²	151	56.8 Å²	56.8	77%	0.774	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-38.3	-176.6	-64.1	168.8	0	0	0	111.9	K226 F227	K226-I230 PolarHBondContact O-N 3.42Å; F227-I230 HydrophobicContact CB-CB 4.17Å; F227-I230 HydrophobicContact CB-CD1 4.41Å; F227-I230 WeakPolarHBondContact O-CB 3.4Å; F227-I230 WeakPolarHBondContact O-CD1 3.09Å; F227-I230 VanDerWaalsContact O-CG1 3.26Å; F227-I230 WeakPolarHBondContact O-CG1 3.47Å; F227-I230 PolarHBondContact O-N 3.07Å
231	K	85.4	Confident	89.6	Confident	85 Å²	85	56.7 Å²	56.7	37%	0.37	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	114.4	-177.5	-166.6	172.2	-171.3	174.9	0	110.9	D111 T225 K226 F227 G229	D111-K231 WeakPolarHBondContact OD1-CE 3.44Å; D111-K231 IonicContact OD1-NZ 3.01Å; D111-K231 PolarHBondContact OD1-NZ 3.24Å; D111-K231 IonicContact OD2-NZ 3.27Å; D111-K231 PolarHBondContact OD2-NZ 2.66Å; T225-K231 CarbonylContact C-O 3.56Å; T225-K231 WeakPolarHBondContact CA-O 3.39Å; K226-K231 HydrophobicContact CB-CB 4.42Å; K226-K231 PolarHBondContact N-O 3.28Å; K226-K231 PolarHBondContact O-N 3.42Å; F227-K231 HydrophobicContact CD2-CB 4.08Å; F227-K231 HydrophobicContact CD2-CD 4.48Å; F227-K231 HydrophobicContact CE2-CD 4.33Å; G229-K231 VanDerWaalsContact C-N 3.32Å; G229-K231 PolarHBondContact O-N 2.94Å
232	T	89.2	Confident	89.5	Confident	32 Å²	32	58.8 Å²	58.8	20%	0.196	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	143.6	179	60.3	0	0	0	0	111.9	Q224 T225 R281 F282	Q224-T232 WeakPolarHBondContact O-CA 3.36Å; T225-T232 HydrophobicContact CG2-CG2 3.77Å; T232-R281 PolarHBondContact O-NH2 3.12Å; T232-F282 WeakPolarHBondContact OG1-CZ 3.49Å
233	Y	91.8	Very high	89.3	Confident	28 Å²	28	58.5 Å²	58.5	11%	0.11	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	162.7	179.5	58.6	-87.7	0	0	0	111.3	Q224 K226 R250	Q224-Y233 HydrophobicContact CB-CD2 4.24Å; Q224-Y233 HydrophobicContact CB-CE1 4.21Å; Q224-Y233 HydrophobicContact CB-CE2 3.64Å; Q224-Y233 HydrophobicContact CG-CE2 4.38Å; Q224-Y233 PolarHBondContact N-O 3.16Å; Q224-Y233 PolarHBondContact O-N 3.05Å; Q224-Y233 VanDerWaalsContact OE1-CE2 3.25Å; Q224-Y233 PolarHBondContact OE1-OH 3.49Å; K226-Y233 HydrophobicContact CB-CE1 4.38Å; K226-Y233 HydrophobicContact CD-CE1 3.7Å; K226-Y233 VanDerWaalsContact CE-OH 3.29Å; K226-Y233 WeakPolarHBondContact CE-OH 3.42Å; K226-Y233 HydrophobicContact CG-CE1 3.76Å; Y233-R250 HydrophobicContact CD2-CB 3.47Å; Y233-R250 VanDerWaalsContact CD2-CB 3.47Å; Y233-R250 HydrophobicContact CD2-CG 4.25Å; Y233-R250 HydrophobicContact CE2-CB 3.88Å; Y233-R250 HydrophobicContact CE2-CG 4.45Å; Y233-R250 HydrophobicContact CG-CB 4.32Å
234	I	94.3	Very high	89.1	Confident	17 Å²	17	55.5 Å²	55.5	9%	0.087	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	129.1	168.6	-56.9	-55.5	0	0	0	108.9	P221 T222 K223 Y236 R250 F282 I287	P221-I234 HydrophobicContact CB-CG2 3.91Å; T222-I234 WeakPolarHBondContact O-CA 3.47Å; K223-I234 HydrophobicContact CB-CD1 3.97Å; K223-I234 HydrophobicContact CG-CD1 4.32Å; I234-Y236 HydrophobicContact CG2-CE1 4.1Å; I234-Y236 HydrophobicContact CG2-CE2 4.11Å; I234-R250 WeakPolarHBondContact O-CA 3.28Å; I234-R250 WeakPolarHBondContact O-CB 3.47Å; I234-F282 HydrophobicContact CD1-CD1 3.93Å; I234-F282 HydrophobicContact CD1-CE1 4.24Å; I234-F282 HydrophobicContact CG1-CD1 4.18Å; I234-F282 HydrophobicContact CG1-CE1 4.37Å; I234-I287 HydrophobicContact CD1-CD1 3.78Å; I234-I287 HydrophobicContact CG1-CD1 3.91Å; I234-I287 HydrophobicContact CG1-CG1 4.12Å; I234-I287 HydrophobicContact CG2-CG2 4.45Å
235	S	95.3	Very high	89.3	Confident	3 Å²	3	62.9 Å²	62.9	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137	172.9	-155.2	0	0	0	0	108.8	P221 T222 Q224	P221-S235 WeakPolarHBondContact CA-O 3.45Å; T222-S235 PolarHBondContact N-O 3.29Å; T222-S235 PolarHBondContact O-N 3.4Å; T222-S235 PolarHBondContact OG1-O 3.5Å; Q224-S235 PolarHBondContact OE1-OG 3.01Å
236	Y	97.1	Very high	89.6	Confident	1 Å²	1	62.2 Å²	62.2	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	140.8	177	-58.6	-85.2	0	0	0	109.1	I218 P221 I234 Y248 R249 F254 R290 K291 L294	I218-Y236 HydrophobicContact CG2-CD1 4.14Å; I218-Y236 HydrophobicContact CG2-CG 4.22Å; P221-Y236 HydrophobicContact CB-CD1 4.04Å; P221-Y236 HydrophobicContact CB-CE1 3.86Å; I234-Y236 HydrophobicContact CG2-CE1 4.1Å; I234-Y236 HydrophobicContact CG2-CE2 4.11Å; Y236-Y248 WeakPolarHBondContact O-CA 3.28Å; Y236-R249 WeakPolarHBondContact CD2-O 3.48Å; Y236-R249 PolarHBondContact N-O 2.87Å; Y236-R249 PolarHBondContact O-N 2.9Å; Y236-F254 HydrophobicContact CD2-CE2 4.17Å; Y236-R290 WeakPolarHBondContact OH-CD 3.4Å; Y236-R290 WeakPolarHBondContact OH-CG 3.38Å; Y236-K291 HydrophobicContact CE1-CB 4.1Å; Y236-L294 HydrophobicContact CD2-CD1 3.91Å; Y236-L294 HydrophobicContact CE1-CD1 4.28Å; Y236-L294 HydrophobicContact CE2-CD1 3.64Å; Y236-L294 HydrophobicContact CG-CD1 4.36Å
237	R	96.6	Very high	90.3	Very high	77 Å²	77	62.2 Å²	62.2	29%	0.291	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	120.9	171	-176.3	-175.9	178.5	-176.1	-3.1	108.5	I218 E219 D220 P246 Y248	I218-R237 WeakPolarHBondContact CA-O 3.41Å; E219-R237 HydrophobicContact CB-CB 4.43Å; E219-R237 PolarHBondContact N-O 3.15Å; E219-R237 PolarHBondContact O-N 3.5Å; D220-R237 HydrophobicContact CB-CB 3.98Å; D220-R237 WeakPolarHBondContact OD2-CD 3.36Å; D220-R237 IonicContact OD2-CZ 3.4Å; D220-R237 IonicContact OD2-NE 2.87Å; D220-R237 IonicContact OD2-NH1 2.92Å; D220-R237 PolarHBondContact OD2-NH1 3.02Å; R237-P246 HydrophobicContact CG-CB 3.82Å; R237-Y248 HydrophobicContact CB-CD1 4.31Å; R237-Y248 HydrophobicContact CB-CE1 3.92Å; R237-Y248 HydrophobicContact CG-CE1 4.11Å
238	V	97.6	Very high	91.1	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	117.3	-176.3	-179.3	0	0	0	0	107.8	C216 S217 I218 P246 V247 R249 F254 M298 F316 L317	C216-V238 WeakPolarHBondContact SG-CG1 3.41Å; S217-V238 WeakPolarHBondContact O-CA 3.44Å; I218-V238 HydrophobicContact CG1-CG2 4.4Å; V238-P246 WeakPolarHBondContact O-CA 3.37Å; V238-V247 HydrophobicContact CB-CG2 4.01Å; V238-V247 HydrophobicContact CG1-CG2 4.39Å; V238-V247 PolarHBondContact N-O 2.73Å; V238-V247 PolarHBondContact O-N 2.8Å; V238-R249 HydrophobicContact CB-CG 4.46Å; V238-R249 HydrophobicContact CG2-CB 3.96Å; V238-R249 HydrophobicContact CG2-CG 3.93Å; V238-F254 HydrophobicContact CG2-CZ 3.94Å; V238-M298 HydrophobicContact CG1-CE 4.03Å; V238-F316 HydrophobicContact CG1-CE1 4.41Å; V238-L317 HydrophobicContact CG1-CD2 3.69Å
239	T	96.8	Very high	91.9	Very high	23 Å²	23	52 Å²	52	14%	0.141	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	106.1	-174.1	-45.3	0	0	0	0	110.9	C216 S217	C216-T239 WeakPolarHBondContact CA-O 3.48Å; C216-T239 VanDerWaalsContact SG-C 3.53Å; C216-T239 PolarHBondContact SG-O 3.05Å; S217-T239 PolarHBondContact N-O 3.25Å; S217-T239 PolarHBondContact O-N 3.28Å
240	P	96.1	Very high	92.7	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	139	176.2	32.7	-34.7	0	0	0	111.7	F214 S215 C216 H242 N243 A244 L317	F214-P240 HydrophobicContact CD2-CB 4.37Å; S215-P240 WeakPolarHBondContact O-CA 3.05Å; C216-P240 HydrophobicContact CB-CB 4.43Å; P240-H242 VanDerWaalsContact C-N 3.33Å; P240-H242 PolarHBondContact O-N 3.05Å; P240-N243 WeakPolarHBondContact CG-ND2 3.48Å; P240-N243 WeakPolarHBondContact CG-OD1 3.44Å; P240-N243 PolarHBondContact O-N 3.49Å; P240-A244 PolarHBondContact O-N 3.25Å; P240-L317 HydrophobicContact CB-CD1 4.49Å; P240-L317 HydrophobicContact CG-CB 4.33Å
241	S	94.8	Very high	93.5	Very high	70 Å²	70	45.2 Å²	45.2	49%	0.49	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-26.4	-169.6	65.9	0	0	0	0	114.6	S215	S215-S241 PolarHBondContact N-OG 3.42Å; S215-S241 WeakPolarHBondContact O-CB 3.35Å; S215-S241 PolarHBondContact O-N 3.42Å; S215-S241 PolarHBondContact O-OG 2.85Å; S215-S241 PolarHBondContact OG-OG 3.33Å
242	H	90	Very high	93.9	Very high	89 Å²	89	45.1 Å²	45.1	41%	0.412	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-20.1	-176	61.2	-105.6	0	0	0	113.9	F214 P240 M318	F214-H242 HydrophobicContact CB-CB 4.1Å; F214-H242 WeakPolarHBondContact CB-ND1 3.35Å; F214-H242 AromaticContact CD1-ND1 3.72Å; F214-H242 AromaticContact CD2-CE1 3.8Å; F214-H242 AromaticContact CD2-ND1 3.42Å; F214-H242 WeakPolarHBondContact CD2-ND1 3.48Å; F214-H242 AromaticContact CG-CE1 3.91Å; F214-H242 AromaticContact CG-ND1 3.21Å; F214-H242 WeakPolarHBondContact CG-ND1 3.37Å; P240-H242 VanDerWaalsContact C-N 3.33Å; P240-H242 PolarHBondContact O-N 3.05Å; H242-M318 WeakPolarHBondContact NE2-CE 3.46Å
243	N	87.3	Confident	94.2	Very high	49 Å²	49	44.6 Å²	44.6	26%	0.262	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126	-16.6	178.4	71.6	44.8	0	0	0	114.2	P240 R245	P240-N243 WeakPolarHBondContact CG-ND2 3.48Å; P240-N243 WeakPolarHBondContact CG-OD1 3.44Å; P240-N243 PolarHBondContact O-N 3.49Å; N243-R245 PolarHBondContact O-N 3.02Å; N243-R245 WeakPolarHBondContact OD1-CB 3.1Å; N243-R245 PolarHBondContact OD1-N 3.44Å
244	A	87.1	Confident	94.5	Very high	73 Å²	73	43.3 Å²	43.3	60%	0.603	21%	0.212	S	C	*	.			trans	54.3	18.1	-179.6	0	0	0	0	0	115.9	P240	P240-A244 PolarHBondContact O-N 3.25Å
245	R	92.6	Very high	94.6	Very high	193 Å²	193	43.7 Å²	43.7	73%	0.728	21%	0.214	S	C	*	.			trans	-93.8	117.1	175.9	-66.6	-177.3	178.6	-170.7	-1.6	109.5	N243	N243-R245 PolarHBondContact O-N 3.02Å; N243-R245 WeakPolarHBondContact OD1-CB 3.1Å; N243-R245 PolarHBondContact OD1-N 3.44Å
246	P	94.8	Very high	94.7	Very high	50 Å²	50	44.8 Å²	44.8	33%	0.325	22%	0.218	S	C	.	.			trans	-73.1	138.7	178.7	29.8	-33.8	0	0	0	111.1	R237 V238	R237-P246 HydrophobicContact CG-CB 3.82Å; V238-P246 WeakPolarHBondContact O-CA 3.37Å
247	V	95.4	Very high	94.7	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.03	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148.9	164.6	-61.3	0	0	0	0	110	V238 R249 L317 A320	V238-V247 HydrophobicContact CB-CG2 4.01Å; V238-V247 HydrophobicContact CG1-CG2 4.39Å; V238-V247 PolarHBondContact N-O 2.73Å; V238-V247 PolarHBondContact O-N 2.8Å; V247-R249 HydrophobicContact CG2-CG 4.24Å; V247-L317 WeakPolarHBondContact CG1-O 3.46Å; V247-L317 VanDerWaalsContact CG2-O 3.26Å; V247-L317 WeakPolarHBondContact CG2-O 3.46Å; V247-A320 HydrophobicContact CG1-CB 4.48Å
248	Y	95.5	Very high	94.7	Very high	97 Å²	97	42.5 Å²	42.5	38%	0.38	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.5	179.7	-67.4	-84.2	0	0	0	110.7	Y236 R237	Y236-Y248 WeakPolarHBondContact O-CA 3.28Å; R237-Y248 HydrophobicContact CB-CD1 4.31Å; R237-Y248 HydrophobicContact CB-CE1 3.92Å; R237-Y248 HydrophobicContact CG-CE1 4.11Å
249	R	96.1	Very high	94.6	Very high	13 Å²	13	45.5 Å²	45.5	5%	0.049	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	121.7	-174.6	-61.3	-65	179.1	-114.4	7.2	111.2	Y236 V238 V247 F254 F316 C319	Y236-R249 WeakPolarHBondContact CD2-O 3.48Å; Y236-R249 PolarHBondContact N-O 2.87Å; Y236-R249 PolarHBondContact O-N 2.9Å; V238-R249 HydrophobicContact CB-CG 4.46Å; V238-R249 HydrophobicContact CG2-CB 3.96Å; V238-R249 HydrophobicContact CG2-CG 3.93Å; V247-R249 HydrophobicContact CG2-CG 4.24Å; R249-F254 HydrophobicContact CB-CD2 4.34Å; R249-F254 HydrophobicContact CB-CE2 3.69Å; R249-F254 HydrophobicContact CB-CZ 4.26Å; R249-F316 HydrophobicContact CB-CE2 4.22Å; R249-F316 HydrophobicContact CB-CZ 3.88Å; R249-F316 HydrophobicContact CG-CE1 4.08Å; R249-F316 HydrophobicContact CG-CE2 3.9Å; R249-F316 HydrophobicContact CG-CZ 3.61Å; R249-F316 PolarHBondContact NE-O 3.42Å; R249-F316 PolarHBondContact NH2-O 2.78Å; R249-C319 PolarHBondContact NH1-O 2.86Å; R249-C319 PolarHBondContact NH2-O 2.85Å
250	R	94.9	Very high	94.5	Very high	15 Å²	15	46.5 Å²	46.5	6%	0.057	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	160.8	169.6	66.2	-179.9	175.6	157.5	7.2	110.9	D111 Y233 I234 K252 H253	D111-R250 VanDerWaalsContact CG-NH1 3.31Å; D111-R250 VanDerWaalsContact CG-NH2 3.29Å; D111-R250 PolarHBondContact O-NH2 2.98Å; D111-R250 VanDerWaalsContact O-NH2 3.09Å; D111-R250 IonicContact OD1-CZ 3.12Å; D111-R250 IonicContact OD1-NH1 3.32Å; D111-R250 PolarHBondContact OD1-NH1 3.23Å; D111-R250 IonicContact OD1-NH2 2.91Å; D111-R250 IonicContact OD2-CZ 2.66Å; D111-R250 IonicContact OD2-NH1 2.83Å; D111-R250 PolarHBondContact OD2-NH1 2.77Å; D111-R250 VanDerWaalsContact OD2-NH1 3.12Å; D111-R250 IonicContact OD2-NH2 2.67Å; D111-R250 PolarHBondContact OD2-NH2 2.82Å; Y233-R250 HydrophobicContact CD2-CB 3.47Å; Y233-R250 VanDerWaalsContact CD2-CB 3.47Å; Y233-R250 HydrophobicContact CD2-CG 4.25Å; Y233-R250 HydrophobicContact CE2-CB 3.88Å; Y233-R250 HydrophobicContact CE2-CG 4.45Å; Y233-R250 HydrophobicContact CG-CB 4.32Å; I234-R250 WeakPolarHBondContact O-CA 3.28Å; I234-R250 WeakPolarHBondContact O-CB 3.47Å; R250-K252 VanDerWaalsContact C-N 3.27Å; R250-K252 HydrophobicContact CG-CB 4.44Å; R250-K252 PolarHBondContact O-N 2.83Å; R250-K252 VanDerWaalsContact O-N 3.12Å; R250-H253 WeakPolarHBondContact CG-NE2 3.41Å; R250-H253 PolarHBondContact NE-CD2 2.59Å; R250-H253 PolarHBondContact NE-NE2 3.3Å; R250-H253 WeakPolarHBondContact O-CB 3.34Å; R250-H253 PolarHBondContact O-N 2.93Å
251	Y	95.1	Very high	94.4	Very high	29 Å²	29	46.5 Å²	46.5	11%	0.114	23%	0.227	C	C	.	.	H	α-helix	trans	-51.4	-38.4	-179.8	-176.1	-83.5	0	0	0	114.1	H253 F254 D255 L273 P274 K276	Y251-H253 PolarHBondContact O-N 3.49Å; Y251-H253 VanDerWaalsContact O-N 3.15Å; Y251-F254 PolarHBondContact O-N 3.09Å; Y251-F254 VanDerWaalsContact O-N 3.12Å; Y251-D255 HydrophobicContact CD1-CB 4.42Å; Y251-D255 HydrophobicContact CE1-CB 4Å; Y251-D255 WeakPolarHBondContact O-CB 3.44Å; Y251-D255 PolarHBondContact O-N 3.04Å; Y251-L273 WeakPolarHBondContact OH-CB 3.41Å; Y251-P274 HydrophobicContact CE2-CG 4.3Å; Y251-P274 VanDerWaalsContact CE2-O 3.27Å; Y251-P274 WeakPolarHBondContact CE2-O 3.47Å; Y251-P274 PolarHBondContact OH-O 3.32Å; Y251-K276 HydrophobicContact CD1-CG 4.46Å; Y251-K276 HydrophobicContact CE1-CD 4.41Å; Y251-K276 HydrophobicContact CE1-CG 3.61Å
252	K	93.5	Very high	94.2	Very high	84 Å²	84	46.6 Å²	46.6	37%	0.365	22%	0.221	S	C	.	.	H	α-helix	trans	-59.2	-24.9	176.1	-174.5	171.2	172.2	-178.5	0	113.1	D108 D111 R250 W256	D108-K252 IonicContact OD1-NZ 2.7Å; D108-K252 PolarHBondContact OD1-NZ 2.91Å; D108-K252 IonicContact OD2-NZ 2.73Å; D111-K252 WeakPolarHBondContact OD2-CD 3.19Å; D111-K252 IonicContact OD2-NZ 2.82Å; D111-K252 PolarHBondContact OD2-NZ 3.19Å; R250-K252 VanDerWaalsContact C-N 3.27Å; R250-K252 HydrophobicContact CG-CB 4.44Å; R250-K252 PolarHBondContact O-N 2.83Å; R250-K252 VanDerWaalsContact O-N 3.12Å; K252-W256 WeakPolarHBondContact O-CB 3.48Å; K252-W256 PolarHBondContact O-N 2.96Å
253	H	96.5	Very high	94.1	Very high	21 Å²	21	47.2 Å²	47.2	10%	0.097	23%	0.225	C	C	.	.	H	α-helix	trans	-79.4	-37.3	177.2	-55.7	177.6	0	0	0	111.5	D112 R250 Y251 L257 F316 W325	D112-H253 IonicContact OD1-NE2 3.75Å; R250-H253 WeakPolarHBondContact CG-NE2 3.41Å; R250-H253 PolarHBondContact NE-CD2 2.59Å; R250-H253 PolarHBondContact NE-NE2 3.3Å; R250-H253 WeakPolarHBondContact O-CB 3.34Å; R250-H253 PolarHBondContact O-N 2.93Å; Y251-H253 PolarHBondContact O-N 3.49Å; Y251-H253 VanDerWaalsContact O-N 3.15Å; H253-L257 PolarHBondContact O-N 3.04Å; H253-L257 VanDerWaalsContact O-N 3.13Å; H253-F316 HydrophobicContact CB-CE2 3.94Å; H253-W325 HydrophobicContact CB-CZ2 4.12Å
254	F	97.7	Very high	94.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.3	-45	170.1	-70	-94.3	0	0	0	110.4	I218 Y236 V238 R249 Y251 W256 L257 Y258 L273 L294 W297 M298 F316	I218-F254 HydrophobicContact CD1-CE1 3.81Å; I218-F254 HydrophobicContact CD1-CZ 3.9Å; Y236-F254 HydrophobicContact CD2-CE2 4.17Å; V238-F254 HydrophobicContact CG2-CZ 3.94Å; R249-F254 HydrophobicContact CB-CD2 4.34Å; R249-F254 HydrophobicContact CB-CE2 3.69Å; R249-F254 HydrophobicContact CB-CZ 4.26Å; Y251-F254 PolarHBondContact O-N 3.09Å; Y251-F254 VanDerWaalsContact O-N 3.12Å; F254-W256 PolarHBondContact O-N 3.24Å; F254-L257 PolarHBondContact O-N 3.26Å; F254-Y258 WeakPolarHBondContact O-CB 3.34Å; F254-Y258 PolarHBondContact O-N 3.12Å; F254-L273 HydrophobicContact CB-CD1 4.16Å; F254-L273 HydrophobicContact CB-CD2 4.09Å; F254-L294 HydrophobicContact CD1-CD2 3.92Å; F254-L294 HydrophobicContact CE1-CD2 4.22Å; F254-L294 HydrophobicContact CE2-CD1 4.36Å; F254-L294 HydrophobicContact CG-CD2 4.12Å; F254-L294 HydrophobicContact CZ-CD1 4.44Å; F254-W297 HydrophobicContact CD1-CE3 4.11Å; F254-W297 AromaticContact CD1-CZ3 3.87Å; F254-W297 HydrophobicContact CD1-CZ3 3.87Å; F254-W297 HydrophobicContact CE1-CE3 4.39Å; F254-W297 HydrophobicContact CE1-CZ3 4.24Å; F254-M298 HydrophobicContact CE1-CE 4.08Å; F254-F316 HydrophobicContact CD1-CE1 4.4Å; F254-F316 HydrophobicContact CD1-CE2 4.48Å; F254-F316 AromaticContact CD1-CZ 3.71Å; F254-F316 HydrophobicContact CD1-CZ 3.71Å; F254-F316 HydrophobicContact CD2-CZ 4.06Å; F254-F316 HydrophobicContact CE1-CE1 4.08Å; F254-F316 AromaticContact CE1-CZ 3.66Å; F254-F316 HydrophobicContact CE1-CZ 3.66Å; F254-F316 HydrophobicContact CE2-CZ 4.01Å; F254-F316 HydrophobicContact CG-CE2 4.36Å; F254-F316 AromaticContact CG-CZ 3.93Å; F254-F316 HydrophobicContact CG-CZ 3.93Å; F254-F316 HydrophobicContact CZ-CE1 4.38Å; F254-F316 AromaticContact CZ-CZ 3.81Å; F254-F316 HydrophobicContact CZ-CZ 3.81Å
255	D	96.5	Very high	94.4	Very high	25 Å²	25	42 Å²	42	13%	0.134	19%	0.186	C	C	.	.	H	α-helix	trans	-59.2	-44.5	177.9	-167.2	73.7	0	0	0	112.6	Y251 Y258 N259 L273 K276	Y251-D255 HydrophobicContact CD1-CB 4.42Å; Y251-D255 HydrophobicContact CE1-CB 4Å; Y251-D255 WeakPolarHBondContact O-CB 3.44Å; Y251-D255 PolarHBondContact O-N 3.04Å; D255-Y258 PolarHBondContact O-N 3.29Å; D255-N259 PolarHBondContact O-N 2.87Å; D255-N259 PolarHBondContact O-ND2 2.92Å; D255-L273 HydrophobicContact CB-CD1 4.33Å; D255-K276 WeakPolarHBondContact OD1-CE 3.06Å; D255-K276 IonicContact OD1-NZ 2.97Å; D255-K276 PolarHBondContact OD1-NZ 3.41Å; D255-K276 VanDerWaalsContact OD2-CE 3.29Å; D255-K276 WeakPolarHBondContact OD2-CE 3.42Å; D255-K276 IonicContact OD2-NZ 2.93Å; D255-K276 PolarHBondContact OD2-NZ 2.85Å
256	W	96.8	Very high	94.2	Very high	26 Å²	26	34.2 Å²	34.2	10%	0.098	16%	0.16	C	C	.	.	H	α-helix	trans	-55.9	-52.7	171.6	167.2	78.6	0	0	0	112	K252 F254 Y258 N259 R260 W325 K329 A332 E333	K252-W256 WeakPolarHBondContact O-CB 3.48Å; K252-W256 PolarHBondContact O-N 2.96Å; F254-W256 PolarHBondContact O-N 3.24Å; W256-Y258 PolarHBondContact O-N 3.5Å; W256-N259 PolarHBondContact O-N 3.45Å; W256-R260 HydrophobicContact CD2-CG 4.4Å; W256-R260 HydrophobicContact CZ2-CG 3.88Å; W256-R260 PolarHBondContact O-N 3.32Å; W256-W325 AromaticContact CE3-CH2 3.82Å; W256-W325 HydrophobicContact CE3-CH2 3.82Å; W256-W325 HydrophobicContact CE3-CZ2 4.26Å; W256-W325 AromaticContact CZ3-CH2 3.68Å; W256-W325 HydrophobicContact CZ3-CH2 3.68Å; W256-W325 HydrophobicContact CZ3-CZ2 4.46Å; W256-W325 HydrophobicContact CZ3-CZ3 4.29Å; W256-K329 HydrophobicContact CZ2-CB 4.09Å; W256-K329 HydrophobicContact CZ2-CG 3.89Å; W256-A332 HydrophobicContact CH2-CB 4.18Å; W256-A332 HydrophobicContact CZ2-CB 4.03Å; W256-E333 PolarHBondContact NE1-OE1 3.41Å
257	L	97.6	Very high	94.1	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.4	-46.3	-179	174	60.2	0	0	0	110.9	H253 F254 N259 R260 L261 W297 Y310 F313 F316	H253-L257 PolarHBondContact O-N 3.04Å; H253-L257 VanDerWaalsContact O-N 3.13Å; F254-L257 PolarHBondContact O-N 3.26Å; L257-N259 VanDerWaalsContact C-N 3.31Å; L257-N259 PolarHBondContact O-N 3.11Å; L257-R260 WeakPolarHBondContact O-CA 3.43Å; L257-R260 WeakPolarHBondContact O-CB 3.36Å; L257-R260 PolarHBondContact O-N 3.33Å; L257-L261 HydrophobicContact CD1-CD1 4.48Å; L257-L261 HydrophobicContact CD1-CD2 4.38Å; L257-L261 HydrophobicContact CD1-CG 4.18Å; L257-L261 HydrophobicContact CG-CD1 4.18Å; L257-L261 HydrophobicContact CG-CG 4.35Å; L257-L261 WeakPolarHBondContact O-CG 3.42Å; L257-L261 PolarHBondContact O-N 3.39Å; L257-W297 HydrophobicContact CD2-CH2 3.81Å; L257-W297 HydrophobicContact CG-CH2 4.38Å; L257-Y310 HydrophobicContact CD1-CD1 4.2Å; L257-Y310 HydrophobicContact CD1-CE1 3.86Å; L257-F313 HydrophobicContact CD1-CB 4.45Å; L257-F313 HydrophobicContact CD2-CD2 3.68Å; L257-F313 HydrophobicContact CD2-CE2 4.41Å; L257-F316 HydrophobicContact CB-CD2 4.22Å; L257-F316 HydrophobicContact CD2-CB 3.84Å; L257-F316 HydrophobicContact CD2-CD1 3.95Å; L257-F316 HydrophobicContact CD2-CD2 3.88Å; L257-F316 HydrophobicContact CD2-CE2 4.44Å; L257-F316 HydrophobicContact CD2-CG 3.61Å
258	Y	96.9	Very high	94.1	Very high	31 Å²	31	31.9 Å²	31.9	12%	0.122	15%	0.145	C	C	.	.	H	α-helix	trans	-55.7	-44.2	177.1	174.9	-108.8	0	0	0	112.4	F254 D255 W256 R260 L261 L262 V270 P271 H272 L273	F254-Y258 WeakPolarHBondContact O-CB 3.34Å; F254-Y258 PolarHBondContact O-N 3.12Å; D255-Y258 PolarHBondContact O-N 3.29Å; W256-Y258 PolarHBondContact O-N 3.5Å; Y258-R260 PolarHBondContact O-N 3.34Å; Y258-L261 WeakPolarHBondContact O-CB 3.44Å; Y258-L261 PolarHBondContact O-N 3.38Å; Y258-L262 HydrophobicContact CD1-CD1 4.17Å; Y258-L262 HydrophobicContact CE1-CD1 3.55Å; Y258-L262 HydrophobicContact CE1-CG 4.28Å; Y258-L262 HydrophobicContact CE2-CD1 4.27Å; Y258-L262 HydrophobicContact CE2-CD2 4.25Å; Y258-L262 HydrophobicContact CE2-CG 4.18Å; Y258-L262 WeakPolarHBondContact O-CG 3.4Å; Y258-L262 PolarHBondContact O-N 3.47Å; Y258-V270 HydrophobicContact CD2-CG1 3.91Å; Y258-V270 HydrophobicContact CE2-CG1 3.89Å; Y258-P271 WeakPolarHBondContact CD2-O 3.42Å; Y258-P271 WeakPolarHBondContact CE2-O 3.34Å; Y258-H272 PolarHBondContact OH-CD2 2.93Å; Y258-L273 VanDerWaalsContact CB-CD1 3.46Å; Y258-L273 HydrophobicContact CD1-CD1 4.11Å; Y258-L273 HydrophobicContact CD1-CG 4.33Å; Y258-L273 HydrophobicContact CD2-CG 4.24Å; Y258-L273 HydrophobicContact CG-CD1 3.85Å; Y258-L273 HydrophobicContact CG-CG 3.89Å
259	N	94.7	Very high	94.2	Very high	62 Å²	62	27.3 Å²	27.3	33%	0.332	13%	0.127	S	C	.	.	H	α-helix	trans	-63.2	-41.1	174.3	-69	-44.6	0	0	0	112	D255 W256 L257 L261 L262 H263	D255-N259 PolarHBondContact O-N 2.87Å; D255-N259 PolarHBondContact O-ND2 2.92Å; W256-N259 PolarHBondContact O-N 3.45Å; L257-N259 VanDerWaalsContact C-N 3.31Å; L257-N259 PolarHBondContact O-N 3.11Å; N259-L261 VanDerWaalsContact C-N 3.34Å; N259-L261 PolarHBondContact O-N 3.03Å; N259-L262 PolarHBondContact O-N 3.27Å; N259-H263 PolarHBondContact O-CD2 2.86Å; N259-H263 PolarHBondContact O-N 2.97Å; N259-H263 VanDerWaalsContact O-N 3.12Å
260	R	94.2	Very high	94.2	Very high	45 Å²	45	26.8 Å²	26.8	17%	0.17	13%	0.125	C	C	.	.	H	α-helix	trans	-60.3	-42.7	173.9	-65.4	-58.8	85.2	-171.6	4.8	112.1	W256 L257 Y258 H263 K264	W256-R260 HydrophobicContact CD2-CG 4.4Å; W256-R260 HydrophobicContact CZ2-CG 3.88Å; W256-R260 PolarHBondContact O-N 3.32Å; L257-R260 WeakPolarHBondContact O-CA 3.43Å; L257-R260 WeakPolarHBondContact O-CB 3.36Å; L257-R260 PolarHBondContact O-N 3.33Å; Y258-R260 PolarHBondContact O-N 3.34Å; R260-H263 PolarHBondContact NH2-CD2 3.47Å; R260-H263 PolarHBondContact O-N 3.45Å; R260-K264 PolarHBondContact O-N 2.94Å
261	L	94.1	Very high	94.3	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.2	-46.7	176.8	-63.8	170.5	0	0	0	111.5	L257 Y258 N259 H263 K264 F265 V270 W297 M301 L307 Y310	L257-L261 HydrophobicContact CD1-CD1 4.48Å; L257-L261 HydrophobicContact CD1-CD2 4.38Å; L257-L261 HydrophobicContact CD1-CG 4.18Å; L257-L261 HydrophobicContact CG-CD1 4.18Å; L257-L261 HydrophobicContact CG-CG 4.35Å; L257-L261 WeakPolarHBondContact O-CG 3.42Å; L257-L261 PolarHBondContact O-N 3.39Å; Y258-L261 WeakPolarHBondContact O-CB 3.44Å; Y258-L261 PolarHBondContact O-N 3.38Å; N259-L261 VanDerWaalsContact C-N 3.34Å; N259-L261 PolarHBondContact O-N 3.03Å; L261-H263 VanDerWaalsContact C-N 3.33Å; L261-H263 PolarHBondContact O-N 3.36Å; L261-K264 PolarHBondContact O-N 3.48Å; L261-F265 HydrophobicContact CB-CD2 4.28Å; L261-F265 HydrophobicContact CD2-CD2 3.9Å; L261-F265 HydrophobicContact CD2-CE2 3.64Å; L261-F265 WeakPolarHBondContact O-CB 3.39Å; L261-F265 WeakPolarHBondContact O-CD2 3.48Å; L261-F265 PolarHBondContact O-N 3.26Å; L261-V270 HydrophobicContact CB-CG1 3.8Å; L261-V270 HydrophobicContact CB-CG2 4.14Å; L261-V270 HydrophobicContact CD1-CG1 3.97Å; L261-W297 HydrophobicContact CD1-CH2 4.5Å; L261-W297 HydrophobicContact CD1-CZ2 3.99Å; L261-M301 HydrophobicContact CD1-CE 3.37Å; L261-M301 HydrophobicContact CD1-SD 3.66Å; L261-M301 HydrophobicContact CD2-CE 3.97Å; L261-M301 HydrophobicContact CG-CE 4.33Å; L261-L307 HydrophobicContact CD2-CD2 4.38Å; L261-Y310 HydrophobicContact CD2-CD1 3.54Å; L261-Y310 HydrophobicContact CD2-CE1 3.91Å; L261-Y310 HydrophobicContact CD2-CG 4.38Å
262	L	91.4	Very high	94.3	Very high	71 Å²	71	27.9 Å²	27.9	37%	0.372	13%	0.131	S	C	.	.	H	α-helix	trans	-62	-36.1	177.8	-70.3	-179.8	0	0	0	113.5	Y258 N259 V270	Y258-L262 HydrophobicContact CD1-CD1 4.17Å; Y258-L262 HydrophobicContact CE1-CD1 3.55Å; Y258-L262 HydrophobicContact CE1-CG 4.28Å; Y258-L262 HydrophobicContact CE2-CD1 4.27Å; Y258-L262 HydrophobicContact CE2-CD2 4.25Å; Y258-L262 HydrophobicContact CE2-CG 4.18Å; Y258-L262 WeakPolarHBondContact O-CG 3.4Å; Y258-L262 PolarHBondContact O-N 3.47Å; N259-L262 PolarHBondContact O-N 3.27Å; L262-V270 HydrophobicContact CD2-CB 4.1Å; L262-V270 HydrophobicContact CD2-CG2 4.45Å
263	H	87.4	Confident	94.4	Very high	103 Å²	103	25 Å²	25	48%	0.477	12%	0.12	S	C	.	.	H	α-helix	trans	-73	-34.5	176.9	-75.2	-68.4	0	0	0	113.1	N259 R260 L261 M338	N259-H263 PolarHBondContact O-CD2 2.86Å; N259-H263 PolarHBondContact O-N 2.97Å; N259-H263 VanDerWaalsContact O-N 3.12Å; R260-H263 PolarHBondContact NH2-CD2 3.47Å; R260-H263 PolarHBondContact O-N 3.45Å; L261-H263 VanDerWaalsContact C-N 3.33Å; L261-H263 PolarHBondContact O-N 3.36Å; H263-M338 HydrophobicContact CB-SD 3.93Å
264	K	89.3	Confident	94.2	Very high	5 Å²	5	24.5 Å²	24.5	2%	0.022	12%	0.119	C	C	.	.	H	α-helix	trans	-80.5	-52.7	-178.8	-175	163.4	-170.9	159.3	0	112.5	E194 R260 L261 T266 Y310 D335 M337 M338 G339 F342	E194-K264 WeakPolarHBondContact OE1-CE 3.46Å; E194-K264 IonicContact OE1-NZ 3.29Å; E194-K264 PolarHBondContact OE1-NZ 3.42Å; E194-K264 IonicContact OE2-NZ 3.65Å; E194-K264 PolarHBondContact OE2-NZ 3.44Å; R260-K264 PolarHBondContact O-N 2.94Å; L261-K264 PolarHBondContact O-N 3.48Å; K264-T266 PolarHBondContact O-N 2.98Å; K264-Y310 HydrophobicContact CD-CD2 3.98Å; K264-Y310 HydrophobicContact CD-CE2 3.63Å; K264-D335 WeakPolarHBondContact CD-OD2 3.25Å; K264-D335 WeakPolarHBondContact CE-OD2 3.32Å; K264-D335 IonicContact NZ-OD1 3.23Å; K264-D335 IonicContact NZ-OD2 3.73Å; K264-D335 PolarHBondContact NZ-OD2 2.94Å; K264-M337 WeakPolarHBondContact CE-O 3.36Å; K264-M338 HydrophobicContact CB-CG 4.13Å; K264-M338 HydrophobicContact CG-CG 4.36Å; K264-G339 PolarHBondContact O-N 3.35Å; K264-F342 HydrophobicContact CG-CD2 4.41Å
265	F	91.5	Very high	93.5	Very high	6 Å²	6	31.2 Å²	31.2	3%	0.026	15%	0.15	C	C	.	.			trans	-96.8	87.2	-165.2	-62.2	-74.6	0	0	0	112.3	L261 I268 V270 V306 L307 Y310 F342	L261-F265 HydrophobicContact CB-CD2 4.28Å; L261-F265 HydrophobicContact CD2-CD2 3.9Å; L261-F265 HydrophobicContact CD2-CE2 3.64Å; L261-F265 WeakPolarHBondContact O-CB 3.39Å; L261-F265 WeakPolarHBondContact O-CD2 3.48Å; L261-F265 PolarHBondContact O-N 3.26Å; F265-I268 HydrophobicContact CB-CB 3.96Å; F265-I268 HydrophobicContact CB-CG1 3.94Å; F265-I268 HydrophobicContact CD1-CG1 3.96Å; F265-I268 HydrophobicContact CG-CG1 4.31Å; F265-V270 HydrophobicContact CB-CG2 4.28Å; F265-V306 HydrophobicContact CD1-CG1 3.93Å; F265-V306 HydrophobicContact CE1-CG1 3.5Å; F265-V306 HydrophobicContact CZ-CG1 4.39Å; F265-L307 HydrophobicContact CB-CD2 4.46Å; F265-L307 HydrophobicContact CD1-CD2 4.22Å; F265-L307 HydrophobicContact CD2-CD2 3.68Å; F265-L307 HydrophobicContact CE1-CD2 4.45Å; F265-L307 HydrophobicContact CE2-CD2 3.94Å; F265-L307 HydrophobicContact CG-CD2 3.86Å; F265-L307 HydrophobicContact CZ-CD2 4.32Å; F265-Y310 HydrophobicContact CE2-CD1 4.32Å; F265-Y310 HydrophobicContact CE2-CD2 4.25Å; F265-Y310 HydrophobicContact CE2-CG 4.03Å; F265-Y310 HydrophobicContact CZ-CD2 4.16Å; F265-Y310 HydrophobicContact CZ-CG 4.12Å; F265-F342 HydrophobicContact CD1-CD1 4.47Å; F265-F342 HydrophobicContact CD1-CD2 4.45Å; F265-F342 AromaticContact CD1-CE1 3.68Å; F265-F342 HydrophobicContact CD1-CE1 3.68Å; F265-F342 AromaticContact CD1-CE2 3.7Å; F265-F342 HydrophobicContact CD1-CE2 3.7Å; F265-F342 AromaticContact CD1-CZ 3.27Å; F265-F342 HydrophobicContact CD1-CZ 3.27Å; F265-F342 HydrophobicContact CE1-CD2 4.38Å; F265-F342 HydrophobicContact CE1-CE1 4.35Å; F265-F342 AromaticContact CE1-CE2 3.51Å; F265-F342 HydrophobicContact CE1-CE2 3.51Å; F265-F342 AromaticContact CE1-CZ 3.52Å; F265-F342 HydrophobicContact CE1-CZ 3.52Å; F265-F342 HydrophobicContact CG-CZ 4.49Å
266	T	89.2	Confident	93	Very high	31 Å²	31	36.7 Å²	36.7	19%	0.19	17%	0.173	C	C	.	.	S	Bend	trans	-80.5	-15.4	-175.1	50.2	0	0	0	0	115.6	K264 G339 M343	K264-T266 PolarHBondContact O-N 2.98Å; T266-G339 PolarHBondContact OG1-O 3.01Å; T266-M343 WeakPolarHBondContact OG1-CE 3.36Å
267	V	91.8	Very high	92.2	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	19%	0.186	C	C	.	.	S	Bend	trans	-119.4	3.7	-179.5	-68.2	0	0	0	0	113.9	F342 M343 F346 I469 V507 A510 E514	V267-F342 HydrophobicContact CG2-CE1 4.25Å; V267-M343 HydrophobicContact CB-CE 4.31Å; V267-M343 HydrophobicContact CG1-CE 3.48Å; V267-M343 VanDerWaalsContact CG1-CE 3.48Å; V267-M343 HydrophobicContact CG1-SD 4.42Å; V267-M343 HydrophobicContact CG2-CE 3.92Å; V267-M343 HydrophobicContact CG2-SD 4.36Å; V267-F346 HydrophobicContact CG2-CE2 3.9Å; V267-F346 HydrophobicContact CG2-CZ 3.8Å; V267-I469 HydrophobicContact CB-CG2 4.49Å; V267-V507 HydrophobicContact CG1-CG1 4.12Å; V267-A510 HydrophobicContact CG2-CB 4.06Å; V267-E514 WeakPolarHBondContact O-CG 3.34Å
268	I	95.2	Very high	91.1	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	22%	0.218	C	C	.	.	S	Bend	trans	-103.7	140.6	177.8	-49.5	-60.7	0	0	0	108.9	W207 F265 V270 H304 V306 L307 F342 E514	W207-I268 HydrophobicContact CH2-CD1 4.03Å; W207-I268 HydrophobicContact CZ2-CD1 3.3Å; F265-I268 HydrophobicContact CB-CB 3.96Å; F265-I268 HydrophobicContact CB-CG1 3.94Å; F265-I268 HydrophobicContact CD1-CG1 3.96Å; F265-I268 HydrophobicContact CG-CG1 4.31Å; I268-V270 PolarHBondContact O-N 3.12Å; I268-V270 VanDerWaalsContact O-N 3.1Å; I268-H304 VanDerWaalsContact CG2-NE2 3.34Å; I268-H304 WeakPolarHBondContact CG2-NE2 3.07Å; I268-V306 HydrophobicContact CD1-CB 4.45Å; I268-V306 HydrophobicContact CD1-CG1 4.43Å; I268-V306 HydrophobicContact CD1-CG2 4.26Å; I268-V306 HydrophobicContact CG1-CG1 4.41Å; I268-L307 HydrophobicContact CG2-CD1 4.01Å; I268-L307 HydrophobicContact CG2-CD2 3.91Å; I268-L307 HydrophobicContact CG2-CG 3.98Å; I268-F342 HydrophobicContact CG1-CE1 4.48Å; I268-E514 WeakPolarHBondContact CD1-OE2 3.41Å
269	S	96.9	Very high	90.1	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.007	25%	0.249	C	C	.	.			trans	-83.1	85.6	175.7	-165.9	0	0	0	0	110.7	L462 N465 E514	S269-L462 WeakPolarHBondContact O-CD2 3.38Å; S269-L462 WeakPolarHBondContact OG-CA 3.49Å; S269-L462 PolarHBondContact OG-O 3.03Å; S269-N465 WeakPolarHBondContact OG-CB 3.24Å; S269-N465 PolarHBondContact OG-ND2 2.97Å; S269-E514 WeakPolarHBondContact CB-OE1 3.32Å; S269-E514 PolarHBondContact N-OE1 3.5Å
270	V	96.7	Very high	89.5	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.006	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-65.4	126.8	178.8	-176.8	0	0	0	0	110.5	Y258 L261 L262 F265 I268 H272 L307 N465	Y258-V270 HydrophobicContact CD2-CG1 3.91Å; Y258-V270 HydrophobicContact CE2-CG1 3.89Å; L261-V270 HydrophobicContact CB-CG1 3.8Å; L261-V270 HydrophobicContact CB-CG2 4.14Å; L261-V270 HydrophobicContact CD1-CG1 3.97Å; L262-V270 HydrophobicContact CD2-CB 4.1Å; L262-V270 HydrophobicContact CD2-CG2 4.45Å; F265-V270 HydrophobicContact CB-CG2 4.28Å; I268-V270 PolarHBondContact O-N 3.12Å; I268-V270 VanDerWaalsContact O-N 3.1Å; V270-H272 PolarHBondContact O-CD2 2.72Å; V270-H272 PolarHBondContact O-N 3.02Å; V270-L307 HydrophobicContact CG2-CD2 4.44Å; V270-N465 PolarHBondContact N-ND2 2.85Å; V270-N465 PolarHBondContact O-ND2 3.35Å
271	P	96.5	Very high	88.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-65.6	134.7	179.3	27.3	-35.9	0	0	0	111.4	Y258 W297 H300 M301 L458 L462	Y258-P271 WeakPolarHBondContact CD2-O 3.42Å; Y258-P271 WeakPolarHBondContact CE2-O 3.34Å; P271-W297 HydrophobicContact CG-CG 4.42Å; P271-W297 PolarHBondContact O-NE1 3.12Å; P271-H300 HydrophobicContact CB-CB 4.42Å; P271-H300 HydrophobicContact CG-CB 4.26Å; P271-M301 HydrophobicContact CG-CG 4.09Å; P271-M301 HydrophobicContact CG-SD 3.96Å; P271-L458 HydrophobicContact CB-CD1 3.67Å; P271-L462 HydrophobicContact CB-CD2 4.09Å
272	H	95.9	Very high	88.6	Confident	67 Å²	67	52 Å²	52	31%	0.31	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-74.6	145.2	-178.8	-67.7	-169	0	0	0	111.6	Y258 V270 G461 N465	Y258-H272 PolarHBondContact OH-CD2 2.93Å; V270-H272 PolarHBondContact O-CD2 2.72Å; V270-H272 PolarHBondContact O-N 3.02Å; H272-G461 PolarHBondContact CE1-O 3.04Å; H272-G461 WeakPolarHBondContact ND1-CA 3.26Å; H272-G461 PolarHBondContact NE2-O 3.45Å; H272-N465 PolarHBondContact NE2-OD1 3.3Å
273	L	95.6	Very high	88.5	Confident	23 Å²	23	54 Å²	54	12%	0.12	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-75.9	152.2	173.4	-71.1	176.6	0	0	0	112.5	Y251 F254 D255 Y258 L294 W297	Y251-L273 WeakPolarHBondContact OH-CB 3.41Å; F254-L273 HydrophobicContact CB-CD1 4.16Å; F254-L273 HydrophobicContact CB-CD2 4.09Å; D255-L273 HydrophobicContact CB-CD1 4.33Å; Y258-L273 VanDerWaalsContact CB-CD1 3.46Å; Y258-L273 HydrophobicContact CD1-CD1 4.11Å; Y258-L273 HydrophobicContact CD1-CG 4.33Å; Y258-L273 HydrophobicContact CD2-CG 4.24Å; Y258-L273 HydrophobicContact CG-CD1 3.85Å; Y258-L273 HydrophobicContact CG-CG 3.89Å; L273-L294 HydrophobicContact CD2-CD2 3.95Å; L273-W297 HydrophobicContact CD2-CD2 3.83Å; L273-W297 HydrophobicContact CD2-CG 3.93Å; L273-W297 HydrophobicContact CD2-CZ2 4.28Å
274	P	93.1	Very high	88.6	Confident	12 Å²	12	57.1 Å²	57.1	8%	0.078	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-66.8	142.8	171.4	28.2	-34.4	0	0	0	112	Y251 R290 R293 L294	Y251-P274 HydrophobicContact CE2-CG 4.3Å; Y251-P274 VanDerWaalsContact CE2-O 3.27Å; Y251-P274 WeakPolarHBondContact CE2-O 3.47Å; Y251-P274 PolarHBondContact OH-O 3.32Å; P274-R290 HydrophobicContact CG-CG 4.02Å; P274-R293 HydrophobicContact CB-CB 3.72Å; P274-R293 HydrophobicContact CB-CG 4.35Å; P274-R293 HydrophobicContact CG-CB 3.87Å; P274-L294 HydrophobicContact CG-CD2 3.99Å; P274-L294 HydrophobicContact CG-CG 4.09Å
275	E	81.9	Confident	88.6	Confident	141 Å²	141	62.4 Å²	62.4	66%	0.659	32%	0.319	S	S	*	.			trans	-45.5	143.9	-170.1	-70	161.9	-170.8	0	0	116.3	R290	E275-R290 PolarHBondContact O-NH2 3.38Å
276	K	85.4	Confident	88.6	Confident	139 Å²	139	63.2 Å²	63.2	60%	0.604	32%	0.323	S	S	*	.			trans	-72.6	129.6	164.3	-71.9	175.6	179.7	169.4	0	108.5	Y251 D255	Y251-K276 HydrophobicContact CD1-CG 4.46Å; Y251-K276 HydrophobicContact CE1-CD 4.41Å; Y251-K276 HydrophobicContact CE1-CG 3.61Å; D255-K276 WeakPolarHBondContact OD1-CE 3.06Å; D255-K276 IonicContact OD1-NZ 2.97Å; D255-K276 PolarHBondContact OD1-NZ 3.41Å; D255-K276 VanDerWaalsContact OD2-CE 3.29Å; D255-K276 WeakPolarHBondContact OD2-CE 3.42Å; D255-K276 IonicContact OD2-NZ 2.93Å; D255-K276 PolarHBondContact OD2-NZ 2.85Å
277	Q	81.5	Confident	88.7	Confident	82 Å²	82	63 Å²	63	38%	0.383	32%	0.32	S	S	.	.			trans	-132.7	131.5	175.8	-152.3	-177.1	-73.1	0	0	107.8	T279 R281 F286	Q277-T279 WeakPolarHBondContact CG-O 3.47Å; Q277-T279 PolarHBondContact NE2-O 2.85Å; Q277-R281 WeakPolarHBondContact O-CB 3.45Å; Q277-F286 HydrophobicContact CB-CE1 4.1Å; Q277-F286 HydrophobicContact CB-CE2 3.63Å; Q277-F286 HydrophobicContact CB-CZ 3.32Å; Q277-F286 VanDerWaalsContact CD-CE2 3.5Å; Q277-F286 HydrophobicContact CG-CE2 4.18Å; Q277-F286 HydrophobicContact CG-CZ 4.29Å; Q277-F286 VanDerWaalsContact OE1-CD2 3.24Å
278	A	73.2	Confident	88.8	Confident	82 Å²	82	66.1 Å²	66.1	68%	0.678	34%	0.335	S	S	*	.	S	Bend	trans	-91.4	-60	179.8	0	0	0	0	0	111	R281	A278-R281 WeakPolarHBondContact O-CB 3.5Å; A278-R281 WeakPolarHBondContact O-CD 3.38Å; A278-R281 WeakPolarHBondContact O-CG 3.33Å
279	T	76.9	Confident	88.7	Confident	124 Å²	124	70.2 Å²	70.2	76%	0.761	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	147.4	171.4	-46.1	0	0	0	0	110.5	Q277 R281	Q277-T279 WeakPolarHBondContact CG-O 3.47Å; Q277-T279 PolarHBondContact NE2-O 2.85Å; T279-R281 PolarHBondContact O-N 2.86Å
280	G	81.6	Confident	88.6	Confident	18 Å²	18	71.2 Å²	71.2	19%	0.186	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	6.1	178.2	0	0	0	0	0	115.8	F282 E283	G280-F282 PolarHBondContact O-N 2.87Å; G280-E283 VanDerWaalsContact CA-CD 3.49Å; G280-E283 WeakPolarHBondContact CA-OE1 3.42Å; G280-E283 WeakPolarHBondContact O-CB 3.47Å; G280-E283 WeakPolarHBondContact O-CG 3.26Å; G280-E283 PolarHBondContact O-N 3.12Å
281	R	81.8	Confident	88.6	Confident	105 Å²	105	73.2 Å²	73.2	40%	0.396	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-6.3	-174.3	74.7	-179.9	-171.1	-177.4	-0.2	116.1	T232 Q277 A278 T279 F286	T232-R281 PolarHBondContact O-NH2 3.12Å; Q277-R281 WeakPolarHBondContact O-CB 3.45Å; A278-R281 WeakPolarHBondContact O-CB 3.5Å; A278-R281 WeakPolarHBondContact O-CD 3.38Å; A278-R281 WeakPolarHBondContact O-CG 3.33Å; T279-R281 PolarHBondContact O-N 2.86Å; R281-F286 HydrophobicContact CB-CE1 4.33Å
282	F	87.8	Confident	88.6	Confident	75 Å²	75	75.1 Å²	75.1	33%	0.329	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	4.7	177.9	-60.8	-58.5	0	0	0	113.2	T232 I234 G280	T232-F282 WeakPolarHBondContact OG1-CZ 3.49Å; I234-F282 HydrophobicContact CD1-CD1 3.93Å; I234-F282 HydrophobicContact CD1-CE1 4.24Å; I234-F282 HydrophobicContact CG1-CD1 4.18Å; I234-F282 HydrophobicContact CG1-CE1 4.37Å; G280-F282 PolarHBondContact O-N 2.87Å
283	E	89.8	Confident	88.6	Confident	114 Å²	114	73.7 Å²	73.7	53%	0.533	36%	0.364	S	S	.	.			trans	-70.1	139.1	173.9	-68.7	164.9	-163.2	0	0	110.4	G280 F286 I287	G280-E283 VanDerWaalsContact CA-CD 3.49Å; G280-E283 WeakPolarHBondContact CA-OE1 3.42Å; G280-E283 WeakPolarHBondContact O-CB 3.47Å; G280-E283 WeakPolarHBondContact O-CG 3.26Å; G280-E283 PolarHBondContact O-N 3.12Å; E283-F286 HydrophobicContact CB-CB 4.14Å; E283-F286 WeakPolarHBondContact O-CB 3.09Å; E283-F286 PolarHBondContact O-N 2.84Å; E283-I287 WeakPolarHBondContact O-CG1 3.21Å; E283-I287 PolarHBondContact O-N 3.48Å
284	E	89.3	Confident	88.7	Confident	168 Å²	168	72.6 Å²	72.6	79%	0.785	36%	0.358	S	S	*	.	H	α-helix	trans	-62.8	-48	-174	-172.2	174.7	-176.8	0	0	112.3	F286 I287 E288	E284-F286 PolarHBondContact O-N 3.48Å; E284-I287 PolarHBondContact O-N 3.35Å; E284-I287 VanDerWaalsContact O-N 3.17Å; E284-E288 WeakPolarHBondContact O-CB 3.3Å; E284-E288 PolarHBondContact O-N 3.48Å
285	D	88.3	Confident	89	Confident	116 Å²	116	75.1 Å²	75.1	62%	0.62	37%	0.37	S	S	*	.	H	α-helix	trans	-56.6	-36.9	175.9	-79.4	-32.3	0	0	0	112.1	K289	D285-K289 WeakPolarHBondContact O-CB 3.08Å; D285-K289 PolarHBondContact O-N 3.27Å
286	F	91.5	Very high	89.7	Confident	23 Å²	23	69.5 Å²	69.5	10%	0.101	34%	0.344	C	S	.	.	H	α-helix	trans	-71.8	-45.6	177.5	178	-103.9	0	0	0	112.2	Q277 R281 E283 E284 E288 R290	Q277-F286 HydrophobicContact CB-CE1 4.1Å; Q277-F286 HydrophobicContact CB-CE2 3.63Å; Q277-F286 HydrophobicContact CB-CZ 3.32Å; Q277-F286 VanDerWaalsContact CD-CE2 3.5Å; Q277-F286 HydrophobicContact CG-CE2 4.18Å; Q277-F286 HydrophobicContact CG-CZ 4.29Å; Q277-F286 VanDerWaalsContact OE1-CD2 3.24Å; R281-F286 HydrophobicContact CB-CE1 4.33Å; E283-F286 HydrophobicContact CB-CB 4.14Å; E283-F286 WeakPolarHBondContact O-CB 3.09Å; E283-F286 PolarHBondContact O-N 2.84Å; E284-F286 PolarHBondContact O-N 3.48Å; F286-E288 VanDerWaalsContact C-N 3.34Å; F286-E288 PolarHBondContact O-N 3.36Å; F286-R290 VanDerWaalsContact CZ-CZ 3.47Å; F286-R290 WeakPolarHBondContact O-CB 3.43Å; F286-R290 PolarHBondContact O-N 2.89Å
287	I	92.8	Very high	90.4	Very high	25 Å²	25	63 Å²	63	13%	0.128	32%	0.316	C	S	.	.	H	α-helix	trans	-59.7	-46.2	176.8	-69.6	170.3	0	0	0	110.4	P221 I234 E283 E284 R290 K291	P221-I287 HydrophobicContact CB-CG2 3.57Å; P221-I287 HydrophobicContact CG-CG2 3.96Å; I234-I287 HydrophobicContact CD1-CD1 3.78Å; I234-I287 HydrophobicContact CG1-CD1 3.91Å; I234-I287 HydrophobicContact CG1-CG1 4.12Å; I234-I287 HydrophobicContact CG2-CG2 4.45Å; E283-I287 WeakPolarHBondContact O-CG1 3.21Å; E283-I287 PolarHBondContact O-N 3.48Å; E284-I287 PolarHBondContact O-N 3.35Å; E284-I287 VanDerWaalsContact O-N 3.17Å; I287-R290 PolarHBondContact O-N 3.03Å; I287-K291 WeakPolarHBondContact O-CB 3.45Å; I287-K291 PolarHBondContact O-N 2.89Å
288	E	92.5	Very high	91.1	Very high	69 Å²	69	59.1 Å²	59.1	32%	0.322	30%	0.298	S	S	.	.	H	α-helix	trans	-71	-41.6	-178.1	-172.5	54.5	-144.7	0	0	111.5	E284 F286 R290 K291 R292	E284-E288 WeakPolarHBondContact O-CB 3.3Å; E284-E288 PolarHBondContact O-N 3.48Å; F286-E288 VanDerWaalsContact C-N 3.34Å; F286-E288 PolarHBondContact O-N 3.36Å; E288-R290 VanDerWaalsContact C-N 3.34Å; E288-R290 PolarHBondContact O-N 3.01Å; E288-K291 PolarHBondContact O-N 3.47Å; E288-K291 IonicContact OE1-NZ 3.14Å; E288-K291 VanDerWaalsContact OE2-CD 3.25Å; E288-K291 WeakPolarHBondContact OE2-CD 3.5Å; E288-K291 IonicContact OE2-NZ 2.71Å; E288-K291 PolarHBondContact OE2-NZ 2.83Å; E288-R292 WeakPolarHBondContact O-CG 3.49Å; E288-R292 PolarHBondContact O-N 3.05Å
289	K	93.9	Very high	92.3	Very high	89 Å²	89	57.6 Å²	57.6	39%	0.387	28%	0.278	S	S	.	.	H	α-helix	trans	-57.5	-45.3	170.8	-178.5	-175.2	176.9	-170.2	0	111.7	D285 R293	D285-K289 WeakPolarHBondContact O-CB 3.08Å; D285-K289 PolarHBondContact O-N 3.27Å; K289-R293 WeakPolarHBondContact O-CG 3.34Å; K289-R293 PolarHBondContact O-N 3.44Å; K289-R293 VanDerWaalsContact O-N 3.17Å
290	R	95.4	Very high	93.3	Very high	23 Å²	23	51.8 Å²	51.8	9%	0.087	24%	0.243	C	C	.	.	H	α-helix	trans	-63.6	-44.8	176.6	176.8	177.2	-84.3	165.2	-6.3	111.3	Y236 P274 E275 F286 I287 E288 R293 L294	Y236-R290 WeakPolarHBondContact OH-CD 3.4Å; Y236-R290 WeakPolarHBondContact OH-CG 3.38Å; P274-R290 HydrophobicContact CG-CG 4.02Å; E275-R290 PolarHBondContact O-NH2 3.38Å; F286-R290 VanDerWaalsContact CZ-CZ 3.47Å; F286-R290 WeakPolarHBondContact O-CB 3.43Å; F286-R290 PolarHBondContact O-N 2.89Å; I287-R290 PolarHBondContact O-N 3.03Å; E288-R290 VanDerWaalsContact C-N 3.34Å; E288-R290 PolarHBondContact O-N 3.01Å; R290-R293 PolarHBondContact O-N 3.17Å; R290-L294 HydrophobicContact CG-CD1 3.96Å; R290-L294 HydrophobicContact CG-CG 4.22Å; R290-L294 WeakPolarHBondContact O-CG 3.47Å; R290-L294 PolarHBondContact O-N 3.41Å
291	K	95.9	Very high	94.1	Very high	43 Å²	43	51 Å²	51	19%	0.187	23%	0.234	C	C	.	.	H	α-helix	trans	-57.4	-50.4	177.3	-179.4	-164.2	170.9	-164.5	0	111.3	P221 Y236 I287 E288 R293 L294 I295	P221-K291 HydrophobicContact CG-CD 4.37Å; Y236-K291 HydrophobicContact CE1-CB 4.1Å; I287-K291 WeakPolarHBondContact O-CB 3.45Å; I287-K291 PolarHBondContact O-N 2.89Å; E288-K291 PolarHBondContact O-N 3.47Å; E288-K291 IonicContact OE1-NZ 3.14Å; E288-K291 VanDerWaalsContact OE2-CD 3.25Å; E288-K291 WeakPolarHBondContact OE2-CD 3.5Å; E288-K291 IonicContact OE2-NZ 2.71Å; E288-K291 PolarHBondContact OE2-NZ 2.83Å; K291-R293 VanDerWaalsContact C-N 3.3Å; K291-R293 PolarHBondContact O-N 2.88Å; K291-L294 PolarHBondContact O-N 3.12Å; K291-L294 VanDerWaalsContact O-N 3.14Å; K291-I295 HydrophobicContact CG-CD1 4.15Å; K291-I295 WeakPolarHBondContact O-CG1 3.42Å; K291-I295 PolarHBondContact O-N 2.9Å
292	R	95.9	Very high	94.8	Very high	39 Å²	39	46.6 Å²	46.6	15%	0.147	22%	0.219	C	C	.	.	H	α-helix	trans	-56	-43.5	176.3	-68.1	-167.5	-47.8	-92.3	-2.6	112.2	E288 I295 L296 D454	E288-R292 WeakPolarHBondContact O-CG 3.49Å; E288-R292 PolarHBondContact O-N 3.05Å; R292-I295 WeakPolarHBondContact O-CB 3.4Å; R292-I295 PolarHBondContact O-N 2.97Å; R292-L296 WeakPolarHBondContact O-CG 2.88Å; R292-L296 PolarHBondContact O-N 2.99Å; R292-L296 VanDerWaalsContact O-N 3.1Å; R292-D454 IonicContact CZ-OD2 3.86Å; R292-D454 VanDerWaalsContact CZ-OD2 3.27Å; R292-D454 IonicContact NE-OD2 3.24Å; R292-D454 PolarHBondContact NE-OD2 3.09Å; R292-D454 IonicContact NH2-OD2 3.07Å; R292-D454 PolarHBondContact NH2-OD2 2.94Å
293	R	97.6	Very high	95.2	Very high	38 Å²	38	44.9 Å²	44.9	14%	0.143	22%	0.216	C	C	.	.	H	α-helix	trans	-69	-35.8	177.1	-69.5	179.3	-179.8	-137.3	-17.1	113.4	P274 K289 R290 K291 L296 W297 D454 S457	P274-R293 HydrophobicContact CB-CB 3.72Å; P274-R293 HydrophobicContact CB-CG 4.35Å; P274-R293 HydrophobicContact CG-CB 3.87Å; K289-R293 WeakPolarHBondContact O-CG 3.34Å; K289-R293 PolarHBondContact O-N 3.44Å; K289-R293 VanDerWaalsContact O-N 3.17Å; R290-R293 PolarHBondContact O-N 3.17Å; K291-R293 VanDerWaalsContact C-N 3.3Å; K291-R293 PolarHBondContact O-N 2.88Å; R293-L296 PolarHBondContact O-N 2.94Å; R293-W297 WeakPolarHBondContact O-CB 3.49Å; R293-W297 PolarHBondContact O-N 2.93Å; R293-D454 HydrophobicContact CG-CB 4.08Å; R293-D454 IonicContact CZ-OD1 3.03Å; R293-D454 VanDerWaalsContact CZ-OD1 3.32Å; R293-D454 IonicContact NE-OD1 3.94Å; R293-D454 PolarHBondContact NE-OD1 3.19Å; R293-D454 IonicContact NH2-OD1 2.77Å; R293-D454 PolarHBondContact NH2-OD1 2.86Å; R293-S457 PolarHBondContact NH1-OG 3.1Å
294	L	97.9	Very high	95.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.5	-37	172.8	-71.5	175.6	0	0	0	111.7	I218 Y236 F254 L273 P274 R290 K291 W297 M298	I218-L294 HydrophobicContact CD1-CB 4.03Å; I218-L294 WeakPolarHBondContact CD1-O 3.37Å; Y236-L294 HydrophobicContact CD2-CD1 3.91Å; Y236-L294 HydrophobicContact CE1-CD1 4.28Å; Y236-L294 HydrophobicContact CE2-CD1 3.64Å; Y236-L294 HydrophobicContact CG-CD1 4.36Å; F254-L294 HydrophobicContact CD1-CD2 3.92Å; F254-L294 HydrophobicContact CE1-CD2 4.22Å; F254-L294 HydrophobicContact CE2-CD1 4.36Å; F254-L294 HydrophobicContact CG-CD2 4.12Å; F254-L294 HydrophobicContact CZ-CD1 4.44Å; L273-L294 HydrophobicContact CD2-CD2 3.95Å; P274-L294 HydrophobicContact CG-CD2 3.99Å; P274-L294 HydrophobicContact CG-CG 4.09Å; R290-L294 HydrophobicContact CG-CD1 3.96Å; R290-L294 HydrophobicContact CG-CG 4.22Å; R290-L294 WeakPolarHBondContact O-CG 3.47Å; R290-L294 PolarHBondContact O-N 3.41Å; K291-L294 PolarHBondContact O-N 3.12Å; K291-L294 VanDerWaalsContact O-N 3.14Å; L294-W297 PolarHBondContact O-N 3.26Å; L294-M298 VanDerWaalsContact O-CB 3.31Å; L294-M298 WeakPolarHBondContact O-CB 3.17Å; L294-M298 PolarHBondContact O-N 3.35Å
295	I	97.9	Very high	96	Very high	65 Å²	65	31.7 Å²	31.7	33%	0.333	16%	0.155	S	C	.	.	H	α-helix	trans	-59.9	-48.3	172.2	-68	163.4	0	0	0	110.1	I218 K291 R292 W297 M298 D299	I218-I295 HydrophobicContact CB-CG1 3.87Å; K291-I295 HydrophobicContact CG-CD1 4.15Å; K291-I295 WeakPolarHBondContact O-CG1 3.42Å; K291-I295 PolarHBondContact O-N 2.9Å; R292-I295 WeakPolarHBondContact O-CB 3.4Å; R292-I295 PolarHBondContact O-N 2.97Å; I295-W297 VanDerWaalsContact C-N 3.34Å; I295-W297 PolarHBondContact O-N 3.05Å; I295-M298 PolarHBondContact O-N 2.82Å; I295-D299 VanDerWaalsContact O-CB 3.27Å; I295-D299 WeakPolarHBondContact O-CB 3.29Å; I295-D299 PolarHBondContact O-N 3.21Å
296	L	97.9	Very high	96.3	Very high	23 Å²	23	26.3 Å²	26.3	12%	0.12	13%	0.126	C	C	.	.	H	α-helix	trans	-61.8	-39.3	177	-67.3	-178.5	0	0	0	113.1	R292 R293 H300 D454 K455 L458	R292-L296 WeakPolarHBondContact O-CG 2.88Å; R292-L296 PolarHBondContact O-N 2.99Å; R292-L296 VanDerWaalsContact O-N 3.1Å; R293-L296 PolarHBondContact O-N 2.94Å; L296-H300 WeakPolarHBondContact O-CB 3.44Å; L296-H300 PolarHBondContact O-N 3.44Å; L296-H300 VanDerWaalsContact O-N 3.08Å; L296-D454 VanDerWaalsContact CD1-C 3.49Å; L296-D454 HydrophobicContact CD1-CB 3.86Å; L296-K455 HydrophobicContact CD1-CD 4.15Å; L296-K455 HydrophobicContact CD1-CG 4.15Å; L296-K455 HydrophobicContact CD2-CD 3.7Å; L296-K455 HydrophobicContact CD2-CG 4.32Å; L296-L458 HydrophobicContact CB-CD2 4.45Å
297	W	98.2	Very high	96.5	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-62.6	-46.2	174.6	-178.7	90.8	0	0	0	111.3	F254 L257 L261 P271 L273 R293 L294 I295 H300 M301	F254-W297 HydrophobicContact CD1-CE3 4.11Å; F254-W297 AromaticContact CD1-CZ3 3.87Å; F254-W297 HydrophobicContact CD1-CZ3 3.87Å; F254-W297 HydrophobicContact CE1-CE3 4.39Å; F254-W297 HydrophobicContact CE1-CZ3 4.24Å; L257-W297 HydrophobicContact CD2-CH2 3.81Å; L257-W297 HydrophobicContact CG-CH2 4.38Å; L261-W297 HydrophobicContact CD1-CH2 4.5Å; L261-W297 HydrophobicContact CD1-CZ2 3.99Å; P271-W297 HydrophobicContact CG-CG 4.42Å; P271-W297 PolarHBondContact O-NE1 3.12Å; L273-W297 HydrophobicContact CD2-CD2 3.83Å; L273-W297 HydrophobicContact CD2-CG 3.93Å; L273-W297 HydrophobicContact CD2-CZ2 4.28Å; R293-W297 WeakPolarHBondContact O-CB 3.49Å; R293-W297 PolarHBondContact O-N 2.93Å; L294-W297 PolarHBondContact O-N 3.26Å; I295-W297 VanDerWaalsContact C-N 3.34Å; I295-W297 PolarHBondContact O-N 3.05Å; W297-H300 PolarHBondContact O-N 2.83Å; W297-M301 HydrophobicContact CD2-CG 3.95Å; W297-M301 HydrophobicContact CE3-CG 3.98Å; W297-M301 HydrophobicContact CH2-CE 4.42Å; W297-M301 HydrophobicContact CH2-CG 3.76Å; W297-M301 HydrophobicContact CH2-SD 4.31Å; W297-M301 HydrophobicContact CZ2-CG 3.74Å; W297-M301 HydrophobicContact CZ2-SD 3.96Å; W297-M301 HydrophobicContact CZ3-CG 3.89Å; W297-M301 WeakPolarHBondContact O-CB 3.49Å; W297-M301 VanDerWaalsContact O-CG 3.23Å; W297-M301 WeakPolarHBondContact O-CG 3.28Å; W297-M301 PolarHBondContact O-N 2.93Å
298	M	98.1	Very high	96.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.8	-43.1	179.9	-176.7	61.6	73	0	0	112.8	C216 I218 V238 F254 L294 I295 H300 M301 T302 F313 F316 L317	C216-M298 HydrophobicContact CB-CG 3.65Å; C216-M298 HydrophobicContact CB-SD 3.74Å; I218-M298 HydrophobicContact CD1-CB 3.67Å; I218-M298 HydrophobicContact CD1-CE 3.93Å; I218-M298 HydrophobicContact CD1-CG 4.05Å; I218-M298 HydrophobicContact CG1-CB 4.31Å; I218-M298 HydrophobicContact CG1-CE 4.49Å; I218-M298 HydrophobicContact CG1-CG 4.28Å; V238-M298 HydrophobicContact CG1-CE 4.03Å; F254-M298 HydrophobicContact CE1-CE 4.08Å; L294-M298 VanDerWaalsContact O-CB 3.31Å; L294-M298 WeakPolarHBondContact O-CB 3.17Å; L294-M298 PolarHBondContact O-N 3.35Å; I295-M298 PolarHBondContact O-N 2.82Å; M298-H300 PolarHBondContact O-N 3.25Å; M298-M301 PolarHBondContact O-N 2.86Å; M298-T302 HydrophobicContact CG-CG2 4.46Å; M298-T302 WeakPolarHBondContact O-CG2 3.42Å; M298-T302 PolarHBondContact O-N 2.85Å; M298-T302 PolarHBondContact O-OG1 3.17Å; M298-T302 HydrophobicContact SD-CG2 4.05Å; M298-F313 HydrophobicContact CE-CE2 4.09Å; M298-F313 HydrophobicContact SD-CE2 3.71Å; M298-F313 HydrophobicContact SD-CZ 3.59Å; M298-F313 VanDerWaalsContact SD-CZ 3.59Å; M298-F316 HydrophobicContact CE-CE1 3.94Å; M298-L317 HydrophobicContact CE-CD2 3.99Å; M298-L317 HydrophobicContact SD-CD2 4.14Å
299	D	97.7	Very high	96.8	Very high	50 Å²	50	25.1 Å²	25.1	27%	0.267	12%	0.121	S	C	.	.	H	α-helix	trans	-53.4	-51.4	171.1	163.1	49.1	0	0	0	110.4	I295 M301 T302 S303 K455 R521	I295-D299 VanDerWaalsContact O-CB 3.27Å; I295-D299 WeakPolarHBondContact O-CB 3.29Å; I295-D299 PolarHBondContact O-N 3.21Å; D299-M301 PolarHBondContact O-N 2.74Å; D299-T302 PolarHBondContact O-N 3.21Å; D299-T302 PolarHBondContact O-OG1 2.94Å; D299-S303 VanDerWaalsContact O-CB 3.28Å; D299-S303 WeakPolarHBondContact O-CB 3.43Å; D299-S303 PolarHBondContact O-N 3.39Å; D299-S303 PolarHBondContact O-OG 2.71Å; D299-K455 IonicContact OD2-NZ 2.67Å; D299-R521 VanDerWaalsContact CG-NH2 3.28Å; D299-R521 IonicContact OD1-CZ 3.14Å; D299-R521 IonicContact OD1-NH1 3.44Å; D299-R521 IonicContact OD1-NH2 2.73Å; D299-R521 PolarHBondContact OD1-NH2 3.14Å; D299-R521 VanDerWaalsContact OD1-NH2 3.11Å; D299-R521 IonicContact OD2-CZ 3.57Å; D299-R521 IonicContact OD2-NH2 3.6Å; D299-R521 PolarHBondContact OD2-NH2 2.89Å
300	H	97.5	Very high	96.8	Very high	3 Å²	3	21 Å²	21	1%	0.014	10%	0.104	C	C	.	.	H	α-helix	trans	-59.4	-50.2	175.7	-167.3	92.4	0	0	0	112.4	P271 L296 W297 M298 T302 S303 H304	P271-H300 HydrophobicContact CB-CB 4.42Å; P271-H300 HydrophobicContact CG-CB 4.26Å; L296-H300 WeakPolarHBondContact O-CB 3.44Å; L296-H300 PolarHBondContact O-N 3.44Å; L296-H300 VanDerWaalsContact O-N 3.08Å; W297-H300 PolarHBondContact O-N 2.83Å; M298-H300 PolarHBondContact O-N 3.25Å; H300-T302 PolarHBondContact O-N 2.94Å; H300-S303 PolarHBondContact O-N 3.42Å; H300-S303 PolarHBondContact O-OG 3.37Å; H300-H304 PolarHBondContact O-N 3.45Å; H300-H304 VanDerWaalsContact O-N 3.11Å
301	M	97.8	Very high	96.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-56.4	-44.5	178.7	-75.4	-65.4	-56.1	0	0	113.4	L261 P271 W297 M298 D299 L307 S308 F313	L261-M301 HydrophobicContact CD1-CE 3.37Å; L261-M301 HydrophobicContact CD1-SD 3.66Å; L261-M301 HydrophobicContact CD2-CE 3.97Å; L261-M301 HydrophobicContact CG-CE 4.33Å; P271-M301 HydrophobicContact CG-CG 4.09Å; P271-M301 HydrophobicContact CG-SD 3.96Å; W297-M301 HydrophobicContact CD2-CG 3.95Å; W297-M301 HydrophobicContact CE3-CG 3.98Å; W297-M301 HydrophobicContact CH2-CE 4.42Å; W297-M301 HydrophobicContact CH2-CG 3.76Å; W297-M301 HydrophobicContact CH2-SD 4.31Å; W297-M301 HydrophobicContact CZ2-CG 3.74Å; W297-M301 HydrophobicContact CZ2-SD 3.96Å; W297-M301 HydrophobicContact CZ3-CG 3.89Å; W297-M301 WeakPolarHBondContact O-CB 3.49Å; W297-M301 VanDerWaalsContact O-CG 3.23Å; W297-M301 WeakPolarHBondContact O-CG 3.28Å; W297-M301 PolarHBondContact O-N 2.93Å; M298-M301 PolarHBondContact O-N 2.86Å; D299-M301 PolarHBondContact O-N 2.74Å; M301-L307 HydrophobicContact CE-CB 3.76Å; M301-L307 HydrophobicContact CE-CD1 4.42Å; M301-L307 HydrophobicContact SD-CB 4.19Å; M301-L307 HydrophobicContact SD-CD1 3.79Å; M301-S308 PolarHBondContact O-N 3.49Å; M301-F313 HydrophobicContact CB-CE1 4.18Å; M301-F313 HydrophobicContact CB-CE2 4.45Å; M301-F313 HydrophobicContact CB-CZ 3.84Å; M301-F313 HydrophobicContact CE-CD1 4.31Å; M301-F313 HydrophobicContact CE-CD2 4.46Å; M301-F313 HydrophobicContact CE-CE1 4.45Å; M301-F313 HydrophobicContact CE-CG 4.3Å
302	T	97.3	Very high	96.6	Very high	14 Å²	14	22.9 Å²	22.9	9%	0.086	12%	0.115	C	C	.	.	H	α-helix	trans	-74.8	-28.8	179	56	0	0	0	0	113.1	F214 C216 M298 D299 H300 S308 F313	F214-T302 HydrophobicContact CD2-CG2 4.07Å; F214-T302 HydrophobicContact CE2-CG2 3.52Å; F214-T302 HydrophobicContact CZ-CG2 4.12Å; C216-T302 HydrophobicContact CB-CG2 3.98Å; M298-T302 HydrophobicContact CG-CG2 4.46Å; M298-T302 WeakPolarHBondContact O-CG2 3.42Å; M298-T302 PolarHBondContact O-N 2.85Å; M298-T302 PolarHBondContact O-OG1 3.17Å; M298-T302 HydrophobicContact SD-CG2 4.05Å; D299-T302 PolarHBondContact O-N 3.21Å; D299-T302 PolarHBondContact O-OG1 2.94Å; H300-T302 PolarHBondContact O-N 2.94Å; T302-S308 WeakPolarHBondContact O-CB 3.5Å; T302-F313 HydrophobicContact CG2-CE1 4.08Å; T302-F313 HydrophobicContact CG2-CZ 3.83Å
303	S	96.5	Very high	96.6	Very high	39 Å²	39	21 Å²	21	27%	0.273	11%	0.108	S	C	.	.	H	α-helix	trans	-78.9	-13.9	176	75.5	0	0	0	0	114.7	D299 H300	D299-S303 VanDerWaalsContact O-CB 3.28Å; D299-S303 WeakPolarHBondContact O-CB 3.43Å; D299-S303 PolarHBondContact O-N 3.39Å; D299-S303 PolarHBondContact O-OG 2.71Å; H300-S303 PolarHBondContact O-N 3.42Å; H300-S303 PolarHBondContact O-OG 3.37Å
304	H	97.8	Very high	96.5	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.124	C	C	.	.			trans	-86.7	122.2	-176.3	-170.5	-56.2	0	0	0	110.9	W207 I268 H300 V306 L307 S308 E514 H517	W207-H304 AromaticContact CD1-CE1 3.97Å; W207-H304 AromaticContact NE1-CE1 3.91Å; I268-H304 VanDerWaalsContact CG2-NE2 3.34Å; I268-H304 WeakPolarHBondContact CG2-NE2 3.07Å; H300-H304 PolarHBondContact O-N 3.45Å; H300-H304 VanDerWaalsContact O-N 3.11Å; H304-V306 PolarHBondContact ND1-N 2.89Å; H304-V306 VanDerWaalsContact ND1-N 3.11Å; H304-V306 PolarHBondContact O-N 2.87Å; H304-L307 HydrophobicContact CB-CB 4.02Å; H304-L307 HydrophobicContact CB-CD1 4.05Å; H304-L307 HydrophobicContact CB-CG 4.14Å; H304-L307 PolarHBondContact ND1-N 3.2Å; H304-L307 PolarHBondContact O-N 3.11Å; H304-S308 VanDerWaalsContact O-CB 3.25Å; H304-S308 WeakPolarHBondContact O-CB 3.34Å; H304-S308 PolarHBondContact O-N 3.31Å; H304-S308 PolarHBondContact O-OG 3.24Å; H304-E514 IonicContact CE1-OE2 2.7Å; H304-E514 IonicContact NE2-OE1 2.69Å; H304-E514 IonicContact NE2-OE2 3.88Å; H304-E514 PolarHBondContact NE2-OE2 2.93Å; H304-H517 AromaticContact CD2-CD2 3.31Å; H304-H517 PolarHBondContact CD2-CD2 3.49Å; H304-H517 AromaticContact CD2-NE2 3.31Å; H304-H517 PolarHBondContact CD2-NE2 3.3Å; H304-H517 VanDerWaalsContact CD2-NE2 3.31Å; H304-H517 AromaticContact CG-NE2 3.73Å; H304-H517 AromaticContact NE2-CD2 3.55Å
305	P	96.8	Very high	96.4	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.026	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-39.3	-173.9	-26.5	34.9	0	0	0	114.5	W207 K208 S308 Q309	W207-P305 HydrophobicContact CB-CB 3.93Å; W207-P305 HydrophobicContact CB-CG 4Å; K208-P305 WeakPolarHBondContact O-CB 3.26Å; P305-S308 PolarHBondContact O-OG 2.94Å; P305-Q309 PolarHBondContact O-NE2 3.04Å
306	V	95.9	Very high	96.4	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.012	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-60.2	173.5	-178.5	0	0	0	0	112.5	Y196 W207 F265 I268 H304 S308 Q309 F342	Y196-V306 HydrophobicContact CD1-CB 4.1Å; Y196-V306 HydrophobicContact CD1-CG1 3.73Å; Y196-V306 HydrophobicContact CD1-CG2 4.11Å; Y196-V306 HydrophobicContact CE1-CB 4.34Å; Y196-V306 HydrophobicContact CE1-CG1 3.71Å; Y196-V306 HydrophobicContact CG-CG1 4.15Å; Y196-V306 HydrophobicContact CG-CG2 4.41Å; W207-V306 HydrophobicContact CD2-CG2 3.54Å; W207-V306 HydrophobicContact CE3-CG2 3.55Å; W207-V306 HydrophobicContact CG-CG2 4.07Å; W207-V306 HydrophobicContact CH2-CG2 4.22Å; W207-V306 HydrophobicContact CZ2-CG2 4.21Å; W207-V306 HydrophobicContact CZ3-CG2 3.89Å; F265-V306 HydrophobicContact CD1-CG1 3.93Å; F265-V306 HydrophobicContact CE1-CG1 3.5Å; F265-V306 HydrophobicContact CZ-CG1 4.39Å; I268-V306 HydrophobicContact CD1-CB 4.45Å; I268-V306 HydrophobicContact CD1-CG1 4.43Å; I268-V306 HydrophobicContact CD1-CG2 4.26Å; I268-V306 HydrophobicContact CG1-CG1 4.41Å; H304-V306 PolarHBondContact ND1-N 2.89Å; H304-V306 VanDerWaalsContact ND1-N 3.11Å; H304-V306 PolarHBondContact O-N 2.87Å; V306-S308 VanDerWaalsContact C-N 3.29Å; V306-S308 PolarHBondContact O-N 3.31Å; V306-Q309 PolarHBondContact O-N 3.32Å; V306-Q309 VanDerWaalsContact O-N 3.09Å; V306-F342 HydrophobicContact CG1-CZ 4.18Å
307	L	96.4	Very high	96.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-63.1	-31.8	-170.6	-54.5	173.4	0	0	0	113.7	L261 F265 I268 V270 M301 H304 Q309 Y310 F313	L261-L307 HydrophobicContact CD2-CD2 4.38Å; F265-L307 HydrophobicContact CB-CD2 4.46Å; F265-L307 HydrophobicContact CD1-CD2 4.22Å; F265-L307 HydrophobicContact CD2-CD2 3.68Å; F265-L307 HydrophobicContact CE1-CD2 4.45Å; F265-L307 HydrophobicContact CE2-CD2 3.94Å; F265-L307 HydrophobicContact CG-CD2 3.86Å; F265-L307 HydrophobicContact CZ-CD2 4.32Å; I268-L307 HydrophobicContact CG2-CD1 4.01Å; I268-L307 HydrophobicContact CG2-CD2 3.91Å; I268-L307 HydrophobicContact CG2-CG 3.98Å; V270-L307 HydrophobicContact CG2-CD2 4.44Å; M301-L307 HydrophobicContact CE-CB 3.76Å; M301-L307 HydrophobicContact CE-CD1 4.42Å; M301-L307 HydrophobicContact SD-CB 4.19Å; M301-L307 HydrophobicContact SD-CD1 3.79Å; H304-L307 HydrophobicContact CB-CB 4.02Å; H304-L307 HydrophobicContact CB-CD1 4.05Å; H304-L307 HydrophobicContact CB-CG 4.14Å; H304-L307 PolarHBondContact ND1-N 3.2Å; H304-L307 PolarHBondContact O-N 3.11Å; L307-Q309 PolarHBondContact O-N 3.49Å; L307-Y310 PolarHBondContact O-N 3.16Å; L307-F313 WeakPolarHBondContact O-CD1 3.25Å
308	S	95.9	Very high	96.1	Very high	11 Å²	11	25.4 Å²	25.4	8%	0.077	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-66.2	-20	177.6	60.4	0	0	0	0	114.1	M301 T302 H304 P305 V306	M301-S308 PolarHBondContact O-N 3.49Å; T302-S308 WeakPolarHBondContact O-CB 3.5Å; H304-S308 VanDerWaalsContact O-CB 3.25Å; H304-S308 WeakPolarHBondContact O-CB 3.34Å; H304-S308 PolarHBondContact O-N 3.31Å; H304-S308 PolarHBondContact O-OG 3.24Å; P305-S308 PolarHBondContact O-OG 2.94Å; V306-S308 VanDerWaalsContact C-N 3.29Å; V306-S308 PolarHBondContact O-N 3.31Å
309	Q	94.2	Very high	95.9	Very high	81 Å²	81	25.8 Å²	25.8	38%	0.379	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-98.3	2.9	-179	-66.4	-177.8	83.5	0	0	113.5	Y196 P305 V306 L307 E311	Y196-Q309 HydrophobicContact CE1-CB 4.19Å; P305-Q309 PolarHBondContact O-NE2 3.04Å; V306-Q309 PolarHBondContact O-N 3.32Å; V306-Q309 VanDerWaalsContact O-N 3.09Å; L307-Q309 PolarHBondContact O-N 3.49Å; Q309-E311 PolarHBondContact O-N 2.94Å
310	Y	94.1	Very high	95.6	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.016	15%	0.152	C	C	.	.			trans	-71.5	124.1	-178.6	174.2	-131.4	0	0	0	112.4	L257 L261 K264 F265 L307 G312 F313 E314	L257-Y310 HydrophobicContact CD1-CD1 4.2Å; L257-Y310 HydrophobicContact CD1-CE1 3.86Å; L261-Y310 HydrophobicContact CD2-CD1 3.54Å; L261-Y310 HydrophobicContact CD2-CE1 3.91Å; L261-Y310 HydrophobicContact CD2-CG 4.38Å; K264-Y310 HydrophobicContact CD-CD2 3.98Å; K264-Y310 HydrophobicContact CD-CE2 3.63Å; F265-Y310 HydrophobicContact CE2-CD1 4.32Å; F265-Y310 HydrophobicContact CE2-CD2 4.25Å; F265-Y310 HydrophobicContact CE2-CG 4.03Å; F265-Y310 HydrophobicContact CZ-CD2 4.16Å; F265-Y310 HydrophobicContact CZ-CG 4.12Å; L307-Y310 PolarHBondContact O-N 3.16Å; Y310-G312 VanDerWaalsContact CE1-CA 3.47Å; Y310-G312 PolarHBondContact O-N 3.26Å; Y310-G312 VanDerWaalsContact O-N 3.16Å; Y310-F313 HydrophobicContact CD1-CB 3.94Å; Y310-F313 VanDerWaalsContact CD1-N 3.33Å; Y310-F313 HydrophobicContact CG-CB 4.48Å; Y310-F313 WeakPolarHBondContact O-CA 3.45Å; Y310-F313 WeakPolarHBondContact O-CB 3.43Å; Y310-F313 PolarHBondContact O-N 3.3Å; Y310-E314 PolarHBondContact O-N 3.48Å
311	E	93.3	Very high	95.4	Very high	101 Å²	101	30.7 Å²	30.7	47%	0.472	17%	0.17	S	C	.	.	H	α-helix	trans	-52.4	-39.5	178.7	-171.8	-170.3	167.6	0	0	112.7	Q309 F313 E314 H315 R331	Q309-E311 PolarHBondContact O-N 2.94Å; E311-F313 VanDerWaalsContact C-N 3.28Å; E311-F313 PolarHBondContact O-N 3.44Å; E311-E314 PolarHBondContact O-N 2.88Å; E311-H315 WeakPolarHBondContact O-CB 3.49Å; E311-H315 PolarHBondContact O-N 3.36Å; E311-R331 WeakPolarHBondContact OE1-CD 3.3Å; E311-R331 IonicContact OE1-CZ 3.63Å; E311-R331 IonicContact OE1-NE 3.8Å; E311-R331 IonicContact OE1-NH1 2.69Å; E311-R331 PolarHBondContact OE1-NH1 3.25Å
312	G	94.4	Very high	94.9	Very high	3 Å²	3	33.1 Å²	33.1	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-67.7	-26.1	177.4	0	0	0	0	0	113.8	Y310 F316	Y310-G312 VanDerWaalsContact CE1-CA 3.47Å; Y310-G312 PolarHBondContact O-N 3.26Å; Y310-G312 VanDerWaalsContact O-N 3.16Å; G312-F316 WeakPolarHBondContact O-CB 3.4Å; G312-F316 PolarHBondContact O-N 2.78Å; G312-F316 VanDerWaalsContact O-N 3.15Å
313	F	96.4	Very high	94.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-80.7	-39.9	172.4	-179.6	-137.4	0	0	0	111.4	F214 L257 M298 M301 T302 L307 Y310 E311 H315 F316 L317	F214-F313 HydrophobicContact CZ-CE1 4.05Å; L257-F313 HydrophobicContact CD1-CB 4.45Å; L257-F313 HydrophobicContact CD2-CD2 3.68Å; L257-F313 HydrophobicContact CD2-CE2 4.41Å; M298-F313 HydrophobicContact CE-CE2 4.09Å; M298-F313 HydrophobicContact SD-CE2 3.71Å; M298-F313 HydrophobicContact SD-CZ 3.59Å; M298-F313 VanDerWaalsContact SD-CZ 3.59Å; M301-F313 HydrophobicContact CB-CE1 4.18Å; M301-F313 HydrophobicContact CB-CE2 4.45Å; M301-F313 HydrophobicContact CB-CZ 3.84Å; M301-F313 HydrophobicContact CE-CD1 4.31Å; M301-F313 HydrophobicContact CE-CD2 4.46Å; M301-F313 HydrophobicContact CE-CE1 4.45Å; M301-F313 HydrophobicContact CE-CG 4.3Å; T302-F313 HydrophobicContact CG2-CE1 4.08Å; T302-F313 HydrophobicContact CG2-CZ 3.83Å; L307-F313 WeakPolarHBondContact O-CD1 3.25Å; Y310-F313 HydrophobicContact CD1-CB 3.94Å; Y310-F313 VanDerWaalsContact CD1-N 3.33Å; Y310-F313 HydrophobicContact CG-CB 4.48Å; Y310-F313 WeakPolarHBondContact O-CA 3.45Å; Y310-F313 WeakPolarHBondContact O-CB 3.43Å; Y310-F313 PolarHBondContact O-N 3.3Å; E311-F313 VanDerWaalsContact C-N 3.28Å; E311-F313 PolarHBondContact O-N 3.44Å; F313-H315 PolarHBondContact O-N 2.9Å; F313-F316 HydrophobicContact CD2-CD1 4.31Å; F313-F316 HydrophobicContact CE2-CD1 4.45Å; F313-F316 WeakPolarHBondContact O-CA 3.31Å; F313-F316 WeakPolarHBondContact O-CB 3.23Å; F313-F316 PolarHBondContact O-N 2.93Å; F313-F316 VanDerWaalsContact O-N 3.16Å; F313-L317 HydrophobicContact CD1-CD1 4.29Å; F313-L317 HydrophobicContact CD2-CD1 4.16Å; F313-L317 HydrophobicContact CD2-CG 4.08Å; F313-L317 HydrophobicContact CE1-CD1 3.95Å; F313-L317 HydrophobicContact CE2-CD1 3.82Å; F313-L317 HydrophobicContact CE2-CD2 3.99Å; F313-L317 HydrophobicContact CE2-CG 3.86Å; F313-L317 HydrophobicContact CG-CD1 4.4Å; F313-L317 HydrophobicContact CZ-CD1 3.73Å; F313-L317 HydrophobicContact CZ-CD2 4.42Å; F313-L317 HydrophobicContact CZ-CG 4.27Å; F313-L317 WeakPolarHBondContact O-CG 3.5Å; F313-L317 PolarHBondContact O-N 3Å
314	E	94.6	Very high	94.5	Very high	102 Å²	102	44.2 Å²	44.2	48%	0.477	23%	0.227	S	C	.	.	H	α-helix	trans	-58.1	-48.2	171.6	-172.9	178.2	-145.7	0	0	111.2	Y310 E311 F316 L317 M318	Y310-E314 PolarHBondContact O-N 3.48Å; E311-E314 PolarHBondContact O-N 2.88Å; E314-F316 VanDerWaalsContact C-N 3.32Å; E314-F316 PolarHBondContact O-N 3.19Å; E314-L317 PolarHBondContact O-N 3.45Å; E314-M318 HydrophobicContact CG-CE 3.63Å; E314-M318 HydrophobicContact CG-CG 4.25Å; E314-M318 HydrophobicContact CG-SD 3.76Å; E314-M318 WeakPolarHBondContact O-CB 3.5Å; E314-M318 WeakPolarHBondContact O-CG 3.14Å; E314-M318 PolarHBondContact O-N 3.31Å; E314-M318 VanDerWaalsContact OE1-CE 3.31Å; E314-M318 WeakPolarHBondContact OE1-CE 3.37Å
315	H	96	Very high	94.4	Very high	33 Å²	33	44.5 Å²	44.5	15%	0.153	23%	0.228	C	C	.	.	H	α-helix	trans	-58.2	-41.8	173.3	-178.7	65.9	0	0	0	112.3	E311 F313 L317 C319 Q324 W325 G328	E311-H315 WeakPolarHBondContact O-CB 3.49Å; E311-H315 PolarHBondContact O-N 3.36Å; F313-H315 PolarHBondContact O-N 2.9Å; H315-L317 VanDerWaalsContact C-N 3.29Å; H315-L317 PolarHBondContact O-N 2.89Å; H315-C319 VanDerWaalsContact CE1-CB 3.47Å; H315-C319 WeakPolarHBondContact CE1-CB 3.45Å; H315-C319 PolarHBondContact CE1-SG 3.5Å; H315-C319 WeakPolarHBondContact O-CB 3.48Å; H315-C319 PolarHBondContact O-N 2.82Å; H315-C319 VanDerWaalsContact O-N 3.08Å; H315-Q324 PolarHBondContact CE1-O 3.26Å; H315-Q324 VanDerWaalsContact CE1-O 3.32Å; H315-W325 AromaticContact CD2-CE3 3.71Å; H315-W325 AromaticContact CD2-CZ3 3.65Å; H315-W325 AromaticContact NE2-CE3 3.34Å; H315-W325 VanDerWaalsContact NE2-CE3 3.34Å; H315-W325 AromaticContact NE2-CZ3 3.79Å; H315-W325 PolarHBondContact NE2-O 3.35Å; H315-G328 WeakPolarHBondContact NE2-CA 3.5Å
316	F	97.1	Very high	94.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.2	-37.2	173	177	-85.1	0	0	0	112.8	V238 R249 H253 F254 L257 M298 G312 F313 E314 W325	V238-F316 HydrophobicContact CG1-CE1 4.41Å; R249-F316 HydrophobicContact CB-CE2 4.22Å; R249-F316 HydrophobicContact CB-CZ 3.88Å; R249-F316 HydrophobicContact CG-CE1 4.08Å; R249-F316 HydrophobicContact CG-CE2 3.9Å; R249-F316 HydrophobicContact CG-CZ 3.61Å; R249-F316 PolarHBondContact NE-O 3.42Å; R249-F316 PolarHBondContact NH2-O 2.78Å; H253-F316 HydrophobicContact CB-CE2 3.94Å; F254-F316 HydrophobicContact CD1-CE1 4.4Å; F254-F316 HydrophobicContact CD1-CE2 4.48Å; F254-F316 AromaticContact CD1-CZ 3.71Å; F254-F316 HydrophobicContact CD1-CZ 3.71Å; F254-F316 HydrophobicContact CD2-CZ 4.06Å; F254-F316 HydrophobicContact CE1-CE1 4.08Å; F254-F316 AromaticContact CE1-CZ 3.66Å; F254-F316 HydrophobicContact CE1-CZ 3.66Å; F254-F316 HydrophobicContact CE2-CZ 4.01Å; F254-F316 HydrophobicContact CG-CE2 4.36Å; F254-F316 AromaticContact CG-CZ 3.93Å; F254-F316 HydrophobicContact CG-CZ 3.93Å; F254-F316 HydrophobicContact CZ-CE1 4.38Å; F254-F316 AromaticContact CZ-CZ 3.81Å; F254-F316 HydrophobicContact CZ-CZ 3.81Å; L257-F316 HydrophobicContact CB-CD2 4.22Å; L257-F316 HydrophobicContact CD2-CB 3.84Å; L257-F316 HydrophobicContact CD2-CD1 3.95Å; L257-F316 HydrophobicContact CD2-CD2 3.88Å; L257-F316 HydrophobicContact CD2-CE2 4.44Å; L257-F316 HydrophobicContact CD2-CG 3.61Å; M298-F316 HydrophobicContact CE-CE1 3.94Å; G312-F316 WeakPolarHBondContact O-CB 3.4Å; G312-F316 PolarHBondContact O-N 2.78Å; G312-F316 VanDerWaalsContact O-N 3.15Å; F313-F316 HydrophobicContact CD2-CD1 4.31Å; F313-F316 HydrophobicContact CE2-CD1 4.45Å; F313-F316 WeakPolarHBondContact O-CA 3.31Å; F313-F316 WeakPolarHBondContact O-CB 3.23Å; F313-F316 PolarHBondContact O-N 2.93Å; F313-F316 VanDerWaalsContact O-N 3.16Å; E314-F316 VanDerWaalsContact C-N 3.32Å; E314-F316 PolarHBondContact O-N 3.19Å; F316-W325 HydrophobicContact CD2-CH2 4.07Å
317	L	96.1	Very high	94.1	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-84.6	-29.6	-178.5	-67.5	175.3	0	0	0	114.4	F214 C216 V238 P240 V247 M298 F313 E314 H315	F214-L317 HydrophobicContact CE2-CD1 3.45Å; F214-L317 VanDerWaalsContact CE2-CD1 3.45Å; F214-L317 HydrophobicContact CZ-CD1 3.64Å; C216-L317 HydrophobicContact CB-CD2 4.38Å; V238-L317 HydrophobicContact CG1-CD2 3.69Å; P240-L317 HydrophobicContact CB-CD1 4.49Å; P240-L317 HydrophobicContact CG-CB 4.33Å; V247-L317 WeakPolarHBondContact CG1-O 3.46Å; V247-L317 VanDerWaalsContact CG2-O 3.26Å; V247-L317 WeakPolarHBondContact CG2-O 3.46Å; M298-L317 HydrophobicContact CE-CD2 3.99Å; M298-L317 HydrophobicContact SD-CD2 4.14Å; F313-L317 HydrophobicContact CD1-CD1 4.29Å; F313-L317 HydrophobicContact CD2-CD1 4.16Å; F313-L317 HydrophobicContact CD2-CG 4.08Å; F313-L317 HydrophobicContact CE1-CD1 3.95Å; F313-L317 HydrophobicContact CE2-CD1 3.82Å; F313-L317 HydrophobicContact CE2-CD2 3.99Å; F313-L317 HydrophobicContact CE2-CG 3.86Å; F313-L317 HydrophobicContact CG-CD1 4.4Å; F313-L317 HydrophobicContact CZ-CD1 3.73Å; F313-L317 HydrophobicContact CZ-CD2 4.42Å; F313-L317 HydrophobicContact CZ-CG 4.27Å; F313-L317 WeakPolarHBondContact O-CG 3.5Å; F313-L317 PolarHBondContact O-N 3Å; E314-L317 PolarHBondContact O-N 3.45Å; H315-L317 VanDerWaalsContact C-N 3.29Å; H315-L317 PolarHBondContact O-N 2.89Å
318	M	93.8	Very high	94	Very high	84 Å²	84	52.9 Å²	52.9	41%	0.414	27%	0.271	S	S	.	.	H	α-helix	trans	-105.1	-26.3	-170.4	-63.8	-169.3	-176.4	0	0	115.1	H242 E314 A320	H242-M318 WeakPolarHBondContact NE2-CE 3.46Å; E314-M318 HydrophobicContact CG-CE 3.63Å; E314-M318 HydrophobicContact CG-CG 4.25Å; E314-M318 HydrophobicContact CG-SD 3.76Å; E314-M318 WeakPolarHBondContact O-CB 3.5Å; E314-M318 WeakPolarHBondContact O-CG 3.14Å; E314-M318 PolarHBondContact O-N 3.31Å; E314-M318 VanDerWaalsContact OE1-CE 3.31Å; E314-M318 WeakPolarHBondContact OE1-CE 3.37Å; M318-A320 PolarHBondContact O-N 3.05Å; M318-A320 VanDerWaalsContact O-N 3.17Å
319	C	94.3	Very high	93.9	Very high	8 Å²	8	55.1 Å²	55.1	5%	0.054	28%	0.279	C	S	.	.			trans	-78.6	105.1	-169.4	-169.6	0	0	0	0	113.2	R249 H315 D321 W325	R249-C319 PolarHBondContact NH1-O 2.86Å; R249-C319 PolarHBondContact NH2-O 2.85Å; H315-C319 VanDerWaalsContact CE1-CB 3.47Å; H315-C319 WeakPolarHBondContact CE1-CB 3.45Å; H315-C319 PolarHBondContact CE1-SG 3.5Å; H315-C319 WeakPolarHBondContact O-CB 3.48Å; H315-C319 PolarHBondContact O-N 2.82Å; H315-C319 VanDerWaalsContact O-N 3.08Å; C319-D321 PolarHBondContact SG-O 3.39Å; C319-D321 VanDerWaalsContact SG-O 3.35Å; C319-W325 HydrophobicContact CB-CE3 4.28Å; C319-W325 VanDerWaalsContact SG-CA 3.54Å; C319-W325 PolarHBondContact SG-N 3.49Å
320	A	91.3	Very high	93.9	Very high	84 Å²	84	56.9 Å²	56.9	69%	0.694	28%	0.282	S	S	*	.			trans	-87.4	-26.7	175.9	0	0	0	0	0	114.1	V247 M318	V247-A320 HydrophobicContact CG1-CB 4.48Å; M318-A320 PolarHBondContact O-N 3.05Å; M318-A320 VanDerWaalsContact O-N 3.17Å
321	D	92.9	Very high	93.9	Very high	72 Å²	72	64 Å²	64	39%	0.385	31%	0.309	S	S	.	.			trans	-86.1	132.7	-177.3	173.9	-92.5	0	0	0	112.5	C319 K323 Q324 W325	C319-D321 PolarHBondContact SG-O 3.39Å; C319-D321 VanDerWaalsContact SG-O 3.35Å; D321-K323 PolarHBondContact O-N 3.1Å; D321-K323 WeakPolarHBondContact OD1-CA 3.42Å; D321-K323 WeakPolarHBondContact OD1-CB 3.47Å; D321-K323 PolarHBondContact OD1-N 3.19Å; D321-Q324 HydrophobicContact CB-CB 4.19Å; D321-Q324 HydrophobicContact CB-CG 4.26Å; D321-Q324 WeakPolarHBondContact OD1-CG 3.34Å; D321-Q324 PolarHBondContact OD1-N 3.44Å; D321-W325 WeakPolarHBondContact O-CB 3.2Å; D321-W325 PolarHBondContact O-N 3Å
322	D	88.5	Confident	93.8	Very high	51 Å²	51	59.7 Å²	59.7	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-63.9	-33.9	-177.8	-84.1	-1.5	0	0	0	114.1	S113 S114 K326	S113-D322 WeakPolarHBondContact CA-OD2 3.41Å; S114-D322 WeakPolarHBondContact CB-OD1 3.27Å; S114-D322 PolarHBondContact N-OD2 3.09Å; D322-K326 PolarHBondContact O-N 3.2Å
323	K	91.8	Very high	93.7	Very high	163 Å²	163	62.5 Å²	62.5	71%	0.709	30%	0.304	S	S	*	.	H	α-helix	trans	-76.5	-43.8	-178.1	-63	174.9	-179.6	171.2	0	110.1	D321 W325 K326 L327	D321-K323 PolarHBondContact O-N 3.1Å; D321-K323 WeakPolarHBondContact OD1-CA 3.42Å; D321-K323 WeakPolarHBondContact OD1-CB 3.47Å; D321-K323 PolarHBondContact OD1-N 3.19Å; K323-W325 VanDerWaalsContact C-N 3.29Å; K323-K326 PolarHBondContact O-N 3.32Å; K323-L327 WeakPolarHBondContact O-CG 3.41Å; K323-L327 PolarHBondContact O-N 3.3Å
324	Q	93.9	Very high	93.4	Very high	123 Å²	123	70.7 Å²	70.7	58%	0.575	34%	0.339	S	S	*	.	H	α-helix	trans	-62.9	-37.7	171.6	-67.4	-174.9	2.1	0	0	111.1	H315 D321 K326 L327 G328	H315-Q324 PolarHBondContact CE1-O 3.26Å; H315-Q324 VanDerWaalsContact CE1-O 3.32Å; D321-Q324 HydrophobicContact CB-CB 4.19Å; D321-Q324 HydrophobicContact CB-CG 4.26Å; D321-Q324 WeakPolarHBondContact OD1-CG 3.34Å; D321-Q324 PolarHBondContact OD1-N 3.44Å; Q324-K326 PolarHBondContact O-N 3.33Å; Q324-L327 PolarHBondContact O-N 2.89Å; Q324-L327 VanDerWaalsContact O-N 3.14Å; Q324-G328 PolarHBondContact O-N 3.28Å
325	W	94.1	Very high	92.9	Very high	6 Å²	6	67.4 Å²	67.4	2%	0.023	33%	0.325	C	S	.	.	H	α-helix	trans	-56.7	-51.6	177	171.6	-111.3	0	0	0	111.3	D112 H253 W256 H315 F316 C319 D321 K323 L327 G328 K329	D112-W325 VanDerWaalsContact CG-CD1 3.44Å; D112-W325 PolarHBondContact OD1-NE1 2.86Å; D112-W325 PolarHBondContact OD2-NE1 3.48Å; H253-W325 HydrophobicContact CB-CZ2 4.12Å; W256-W325 AromaticContact CE3-CH2 3.82Å; W256-W325 HydrophobicContact CE3-CH2 3.82Å; W256-W325 HydrophobicContact CE3-CZ2 4.26Å; W256-W325 AromaticContact CZ3-CH2 3.68Å; W256-W325 HydrophobicContact CZ3-CH2 3.68Å; W256-W325 HydrophobicContact CZ3-CZ2 4.46Å; W256-W325 HydrophobicContact CZ3-CZ3 4.29Å; H315-W325 AromaticContact CD2-CE3 3.71Å; H315-W325 AromaticContact CD2-CZ3 3.65Å; H315-W325 AromaticContact NE2-CE3 3.34Å; H315-W325 VanDerWaalsContact NE2-CE3 3.34Å; H315-W325 AromaticContact NE2-CZ3 3.79Å; H315-W325 PolarHBondContact NE2-O 3.35Å; F316-W325 HydrophobicContact CD2-CH2 4.07Å; C319-W325 HydrophobicContact CB-CE3 4.28Å; C319-W325 VanDerWaalsContact SG-CA 3.54Å; C319-W325 PolarHBondContact SG-N 3.49Å; D321-W325 WeakPolarHBondContact O-CB 3.2Å; D321-W325 PolarHBondContact O-N 3Å; K323-W325 VanDerWaalsContact C-N 3.29Å; W325-L327 VanDerWaalsContact C-N 3.35Å; W325-L327 PolarHBondContact O-N 3.42Å; W325-G328 PolarHBondContact O-N 3.11Å; W325-K329 VanDerWaalsContact O-CB 3.25Å; W325-K329 WeakPolarHBondContact O-CB 3.48Å; W325-K329 PolarHBondContact O-N 2.96Å
326	K	93.7	Very high	92.4	Very high	55 Å²	55	72.8 Å²	72.8	24%	0.239	35%	0.35	C	S	.	.	H	α-helix	trans	-57.4	-42.2	173.4	-76	-174.1	166.3	-138.8	0	113.5	D109 D112 D322 K323 Q324 R330	D109-K326 PolarHBondContact O-NZ 3.26Å; D109-K326 IonicContact OD1-NZ 2.95Å; D109-K326 PolarHBondContact OD1-NZ 3.34Å; D109-K326 IonicContact OD2-NZ 3.74Å; D112-K326 HydrophobicContact CB-CG 4.26Å; D112-K326 WeakPolarHBondContact OD2-CG 3.49Å; D322-K326 PolarHBondContact O-N 3.2Å; K323-K326 PolarHBondContact O-N 3.32Å; Q324-K326 PolarHBondContact O-N 3.33Å; K326-R330 WeakPolarHBondContact O-CB 3Å; K326-R330 WeakPolarHBondContact O-CG 3.28Å; K326-R330 PolarHBondContact O-N 2.76Å
327	L	94.1	Very high	91.7	Very high	118 Å²	118	73.4 Å²	73.4	62%	0.618	35%	0.353	S	S	*	.	H	α-helix	trans	-67.3	-45.3	-179.1	-72.3	169.9	0	0	0	112.1	K323 Q324 W325 R330 R331	K323-L327 WeakPolarHBondContact O-CG 3.41Å; K323-L327 PolarHBondContact O-N 3.3Å; Q324-L327 PolarHBondContact O-N 2.89Å; Q324-L327 VanDerWaalsContact O-N 3.14Å; W325-L327 VanDerWaalsContact C-N 3.35Å; W325-L327 PolarHBondContact O-N 3.42Å; L327-R330 PolarHBondContact O-N 2.86Å; L327-R331 PolarHBondContact O-N 2.79Å
328	G	94.4	Very high	91	Very high	9 Å²	9	75.8 Å²	75.8	9%	0.093	37%	0.365	C	S	.	.	H	α-helix	trans	-69.8	-34.5	175.8	0	0	0	0	0	112.8	H315 Q324 W325 R331 A332	H315-G328 WeakPolarHBondContact NE2-CA 3.5Å; Q324-G328 PolarHBondContact O-N 3.28Å; W325-G328 PolarHBondContact O-N 3.11Å; G328-R331 WeakPolarHBondContact O-CB 3.47Å; G328-R331 PolarHBondContact O-N 2.96Å; G328-A332 PolarHBondContact O-N 3.1Å
329	K	94	Very high	90.2	Very high	59 Å²	59	72.3 Å²	72.3	26%	0.257	35%	0.351	S	S	.	.	H	α-helix	trans	-55.9	-53	169.7	171.8	174.5	-176.1	-59.8	0	111	W256 W325 R331 A332 E333	W256-K329 HydrophobicContact CZ2-CB 4.09Å; W256-K329 HydrophobicContact CZ2-CG 3.89Å; W325-K329 VanDerWaalsContact O-CB 3.25Å; W325-K329 WeakPolarHBondContact O-CB 3.48Å; W325-K329 PolarHBondContact O-N 2.96Å; K329-R331 VanDerWaalsContact C-N 3.27Å; K329-R331 PolarHBondContact O-N 2.93Å; K329-A332 PolarHBondContact O-N 2.98Å; K329-E333 VanDerWaalsContact CE-OE1 3.27Å; K329-E333 WeakPolarHBondContact CE-OE1 3.45Å; K329-E333 WeakPolarHBondContact CG-OE1 3.34Å; K329-E333 VanDerWaalsContact NZ-CD 3.35Å; K329-E333 IonicContact NZ-OE1 2.65Å; K329-E333 PolarHBondContact NZ-OE1 3.36Å; K329-E333 IonicContact NZ-OE2 2.87Å; K329-E333 PolarHBondContact NZ-OE2 2.77Å; K329-E333 WeakPolarHBondContact O-CB 3.34Å; K329-E333 VanDerWaalsContact O-CG 3.29Å; K329-E333 WeakPolarHBondContact O-CG 3.36Å; K329-E333 PolarHBondContact O-N 3.19Å
330	R	94.2	Very high	89.5	Confident	117 Å²	117	72.6 Å²	72.6	44%	0.442	35%	0.354	S	S	.	.	H	α-helix	trans	-65	-26	177.2	-70.3	176.3	-172.9	-170.1	2.7	113.3	D109 K326 L327 K334	D109-R330 IonicContact OD1-CZ 3.89Å; D109-R330 IonicContact OD1-NH2 2.76Å; D109-R330 PolarHBondContact OD1-NH2 3Å; D109-R330 IonicContact OD2-NH2 2.75Å; D109-R330 PolarHBondContact OD2-NH2 2.67Å; K326-R330 WeakPolarHBondContact O-CB 3Å; K326-R330 WeakPolarHBondContact O-CG 3.28Å; K326-R330 PolarHBondContact O-N 2.76Å; L327-R330 PolarHBondContact O-N 2.86Å; R330-K334 WeakPolarHBondContact O-CG 3.4Å; R330-K334 PolarHBondContact O-N 3.43Å
331	R	92.4	Very high	89.2	Confident	154 Å²	154	70.7 Å²	70.7	58%	0.581	33%	0.332	S	S	*	.	H	α-helix	trans	-69.6	-53.6	172.5	-174.4	-167.5	-62.9	177.1	0.7	110.9	E311 L327 G328 K329 E333 K334 D335	E311-R331 WeakPolarHBondContact OE1-CD 3.3Å; E311-R331 IonicContact OE1-CZ 3.63Å; E311-R331 IonicContact OE1-NE 3.8Å; E311-R331 IonicContact OE1-NH1 2.69Å; E311-R331 PolarHBondContact OE1-NH1 3.25Å; L327-R331 PolarHBondContact O-N 2.79Å; G328-R331 WeakPolarHBondContact O-CB 3.47Å; G328-R331 PolarHBondContact O-N 2.96Å; K329-R331 VanDerWaalsContact C-N 3.27Å; K329-R331 PolarHBondContact O-N 2.93Å; R331-E333 PolarHBondContact O-N 2.86Å; R331-K334 CarbonylContact O-C 3.54Å; R331-K334 PolarHBondContact O-N 3.01Å; R331-D335 PolarHBondContact O-N 2.66Å
332	A	92.2	Very high	88.9	Confident	11 Å²	11	67.3 Å²	67.3	9%	0.091	31%	0.313	C	S	.	.	H	α-helix	trans	-63.8	-23.7	177.7	0	0	0	0	0	113.3	W256 G328 K329 K334	W256-A332 HydrophobicContact CH2-CB 4.18Å; W256-A332 HydrophobicContact CZ2-CB 4.03Å; G328-A332 PolarHBondContact O-N 3.1Å; K329-A332 PolarHBondContact O-N 2.98Å; A332-K334 VanDerWaalsContact C-N 3.34Å
333	E	91.9	Very high	89	Confident	62 Å²	62	65 Å²	65	29%	0.29	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-20.5	172	-75.3	163.8	174.5	0	0	113.8	W256 K329 R331	W256-E333 PolarHBondContact NE1-OE1 3.41Å; K329-E333 VanDerWaalsContact CE-OE1 3.27Å; K329-E333 WeakPolarHBondContact CE-OE1 3.45Å; K329-E333 WeakPolarHBondContact CG-OE1 3.34Å; K329-E333 VanDerWaalsContact NZ-CD 3.35Å; K329-E333 IonicContact NZ-OE1 2.65Å; K329-E333 PolarHBondContact NZ-OE1 3.36Å; K329-E333 IonicContact NZ-OE2 2.87Å; K329-E333 PolarHBondContact NZ-OE2 2.77Å; K329-E333 WeakPolarHBondContact O-CB 3.34Å; K329-E333 VanDerWaalsContact O-CG 3.29Å; K329-E333 WeakPolarHBondContact O-CG 3.36Å; K329-E333 PolarHBondContact O-N 3.19Å; R331-E333 PolarHBondContact O-N 2.86Å
334	K	90.2	Very high	88.9	Confident	172 Å²	172	58.5 Å²	58.5	75%	0.748	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	16.5	178.4	-68.4	-179	177.9	-168.1	0	113.3	R330 R331 A332 E336	R330-K334 WeakPolarHBondContact O-CG 3.4Å; R330-K334 PolarHBondContact O-N 3.43Å; R331-K334 CarbonylContact O-C 3.54Å; R331-K334 PolarHBondContact O-N 3.01Å; A332-K334 VanDerWaalsContact C-N 3.34Å; K334-E336 PolarHBondContact O-N 2.83Å
335	D	85.2	Confident	88.8	Confident	33 Å²	33	52.7 Å²	52.7	18%	0.176	25%	0.247	C	C	.	.			trans	-63.1	116.3	179.3	-172.1	-9.3	0	0	0	110.8	K264 R331 M337 M338	K264-D335 WeakPolarHBondContact CD-OD2 3.25Å; K264-D335 WeakPolarHBondContact CE-OD2 3.32Å; K264-D335 IonicContact NZ-OD1 3.23Å; K264-D335 IonicContact NZ-OD2 3.73Å; K264-D335 PolarHBondContact NZ-OD2 2.94Å; R331-D335 PolarHBondContact O-N 2.66Å; D335-M337 VanDerWaalsContact C-N 3.31Å; D335-M337 WeakPolarHBondContact OD1-CB 3.34Å; D335-M337 PolarHBondContact OD1-N 2.84Å; D335-M338 HydrophobicContact CB-CG 4.26Å; D335-M338 WeakPolarHBondContact O-CE 3.48Å; D335-M338 WeakPolarHBondContact O-CG 3.47Å
336	E	83.6	Confident	88.7	Confident	145 Å²	145	53.2 Å²	53.2	68%	0.678	25%	0.249	S	C	*	.	S	Bend	trans	-78	-17.3	178.5	-64.9	-179.4	175	0	0	112.2	K334 M338 N341	K334-E336 PolarHBondContact O-N 2.83Å; E336-M338 PolarHBondContact O-N 2.74Å; E336-M338 VanDerWaalsContact O-N 3.09Å; E336-N341 WeakPolarHBondContact O-CB 3.38Å; E336-N341 PolarHBondContact O-ND2 2.97Å
337	M	82.4	Confident	88.8	Confident	13 Å²	13	55.7 Å²	55.7	6%	0.064	26%	0.262	C	S	.	.	S	Bend	trans	-87.7	40.7	-176.5	-60.7	-56.6	-66.2	0	0	112.7	A190 I192 E194 K264 D335 N341 F342 L344 T345	A190-M337 HydrophobicContact CB-SD 3.85Å; I192-M337 HydrophobicContact CG1-CE 4.1Å; E194-M337 VanDerWaalsContact OE1-CB 3.3Å; E194-M337 WeakPolarHBondContact OE1-CB 3.42Å; K264-M337 WeakPolarHBondContact CE-O 3.36Å; D335-M337 VanDerWaalsContact C-N 3.31Å; D335-M337 WeakPolarHBondContact OD1-CB 3.34Å; D335-M337 PolarHBondContact OD1-N 2.84Å; M337-N341 HydrophobicContact CE-CB 4.41Å; M337-N341 WeakPolarHBondContact CE-O 3.36Å; M337-N341 HydrophobicContact SD-CB 4.23Å; M337-F342 WeakPolarHBondContact O-CB 3.04Å; M337-L344 HydrophobicContact CE-CB 4.33Å; M337-T345 HydrophobicContact CE-CG2 3.55Å
338	M	81.4	Confident	88.8	Confident	53 Å²	53	52.4 Å²	52.4	26%	0.261	24%	0.244	S	C	.	.	S	Bend	trans	-100	159	177.2	-66.1	-166.3	-77.4	0	0	112.4	H263 K264 D335 E336 A340 N341	H263-M338 HydrophobicContact CB-SD 3.93Å; K264-M338 HydrophobicContact CB-CG 4.13Å; K264-M338 HydrophobicContact CG-CG 4.36Å; D335-M338 HydrophobicContact CB-CG 4.26Å; D335-M338 WeakPolarHBondContact O-CE 3.48Å; D335-M338 WeakPolarHBondContact O-CG 3.47Å; E336-M338 PolarHBondContact O-N 2.74Å; E336-M338 VanDerWaalsContact O-N 3.09Å; M338-A340 PolarHBondContact O-N 3.4Å; M338-N341 PolarHBondContact O-N 3Å; M338-N341 VanDerWaalsContact O-N 3.16Å
339	G	76.9	Confident	88.8	Confident	11 Å²	11	53 Å²	53	11%	0.113	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	-105.8	167.9	0	0	0	0	0	114.5	K264 T266	K264-G339 PolarHBondContact O-N 3.35Å; T266-G339 PolarHBondContact OG1-O 3.01Å
340	A	80	Confident	88.6	Confident	14 Å²	14	58 Å²	58	12%	0.116	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-44.5	177.4	0	0	0	0	0	111.9	G177 F181 V186 M338 F342 M343	G177-A340 WeakPolarHBondContact O-CB 3.5Å; F181-A340 HydrophobicContact CB-CB 4.36Å; V186-A340 HydrophobicContact CG2-CB 3.7Å; M338-A340 PolarHBondContact O-N 3.4Å; A340-F342 PolarHBondContact O-N 2.8Å; A340-M343 WeakPolarHBondContact O-CB 3.07Å; A340-M343 WeakPolarHBondContact O-CG 3.42Å; A340-M343 PolarHBondContact O-N 2.91Å
341	N	85.2	Confident	88.3	Confident	44 Å²	44	57.5 Å²	57.5	24%	0.235	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-64.8	-30.6	-174	-61.5	-7.9	0	0	0	111	V186 E336 M337 M338 M343 L344	V186-N341 WeakPolarHBondContact CG1-OD1 3.24Å; E336-N341 WeakPolarHBondContact O-CB 3.38Å; E336-N341 PolarHBondContact O-ND2 2.97Å; M337-N341 HydrophobicContact CE-CB 4.41Å; M337-N341 WeakPolarHBondContact CE-O 3.36Å; M337-N341 HydrophobicContact SD-CB 4.23Å; M338-N341 PolarHBondContact O-N 3Å; M338-N341 VanDerWaalsContact O-N 3.16Å; N341-M343 PolarHBondContact O-N 2.74Å; N341-L344 VanDerWaalsContact O-CB 3.28Å; N341-L344 WeakPolarHBondContact O-CB 3.34Å; N341-L344 PolarHBondContact O-N 2.9Å
342	F	87.6	Confident	88	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-53.2	-34.8	173.2	-179.7	-123.2	0	0	0	112.8	Y196 K264 F265 V267 I268 V306 M337 A340 L344 T345 F346	Y196-F342 AromaticContact CD2-CE2 3.98Å; Y196-F342 HydrophobicContact CD2-CE2 3.98Å; Y196-F342 AromaticContact CE2-CE2 3.72Å; Y196-F342 HydrophobicContact CE2-CE2 3.72Å; K264-F342 HydrophobicContact CG-CD2 4.41Å; F265-F342 HydrophobicContact CD1-CD1 4.47Å; F265-F342 HydrophobicContact CD1-CD2 4.45Å; F265-F342 AromaticContact CD1-CE1 3.68Å; F265-F342 HydrophobicContact CD1-CE1 3.68Å; F265-F342 AromaticContact CD1-CE2 3.7Å; F265-F342 HydrophobicContact CD1-CE2 3.7Å; F265-F342 AromaticContact CD1-CZ 3.27Å; F265-F342 HydrophobicContact CD1-CZ 3.27Å; F265-F342 HydrophobicContact CE1-CD2 4.38Å; F265-F342 HydrophobicContact CE1-CE1 4.35Å; F265-F342 AromaticContact CE1-CE2 3.51Å; F265-F342 HydrophobicContact CE1-CE2 3.51Å; F265-F342 AromaticContact CE1-CZ 3.52Å; F265-F342 HydrophobicContact CE1-CZ 3.52Å; F265-F342 HydrophobicContact CG-CZ 4.49Å; V267-F342 HydrophobicContact CG2-CE1 4.25Å; I268-F342 HydrophobicContact CG1-CE1 4.48Å; V306-F342 HydrophobicContact CG1-CZ 4.18Å; M337-F342 WeakPolarHBondContact O-CB 3.04Å; A340-F342 PolarHBondContact O-N 2.8Å; F342-L344 PolarHBondContact O-N 2.92Å; F342-T345 HydrophobicContact CD2-CG2 4.34Å; F342-T345 WeakPolarHBondContact O-CB 3.44Å; F342-T345 WeakPolarHBondContact O-CG2 3.36Å; F342-T345 PolarHBondContact O-N 3.06Å; F342-T345 PolarHBondContact O-OG1 3.11Å; F342-F346 HydrophobicContact CD1-CE1 4.48Å; F342-F346 HydrophobicContact CD1-CZ 4Å; F342-F346 AromaticContact CE1-CE1 3.72Å; F342-F346 HydrophobicContact CE1-CE1 3.72Å; F342-F346 HydrophobicContact CE1-CE2 4.37Å; F342-F346 AromaticContact CE1-CZ 3.34Å; F342-F346 HydrophobicContact CE1-CZ 3.34Å; F342-F346 HydrophobicContact CE2-CE1 4.04Å; F342-F346 HydrophobicContact CE2-CZ 4.47Å; F342-F346 AromaticContact CZ-CE1 3.42Å; F342-F346 HydrophobicContact CZ-CE1 3.42Å; F342-F346 VanDerWaalsContact CZ-CE1 3.42Å; F342-F346 AromaticContact CZ-CZ 3.59Å; F342-F346 HydrophobicContact CZ-CZ 3.59Å
343	M	89.3	Confident	87.8	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-65.1	-23.1	178.7	-57.3	-61.3	159.6	0	0	113.6	V178 F181 T266 V267 A340 N341 T345 F346 V507	V178-M343 HydrophobicContact CG2-CE 3.84Å; F181-M343 HydrophobicContact CB-CB 4.5Å; F181-M343 HydrophobicContact CB-CG 4.37Å; F181-M343 HydrophobicContact CD1-CB 3.59Å; F181-M343 HydrophobicContact CD1-CG 3.72Å; F181-M343 HydrophobicContact CD2-CB 3.64Å; F181-M343 HydrophobicContact CD2-CG 4.39Å; F181-M343 HydrophobicContact CE1-CB 3.56Å; F181-M343 HydrophobicContact CE1-CG 4.08Å; F181-M343 HydrophobicContact CE2-CB 3.62Å; F181-M343 HydrophobicContact CG-CB 3.62Å; F181-M343 HydrophobicContact CG-CG 3.89Å; F181-M343 HydrophobicContact CZ-CB 3.58Å; T266-M343 WeakPolarHBondContact OG1-CE 3.36Å; V267-M343 HydrophobicContact CB-CE 4.31Å; V267-M343 HydrophobicContact CG1-CE 3.48Å; V267-M343 VanDerWaalsContact CG1-CE 3.48Å; V267-M343 HydrophobicContact CG1-SD 4.42Å; V267-M343 HydrophobicContact CG2-CE 3.92Å; V267-M343 HydrophobicContact CG2-SD 4.36Å; A340-M343 WeakPolarHBondContact O-CB 3.07Å; A340-M343 WeakPolarHBondContact O-CG 3.42Å; A340-M343 PolarHBondContact O-N 2.91Å; N341-M343 PolarHBondContact O-N 2.74Å; M343-T345 PolarHBondContact O-N 3.47Å; M343-F346 PolarHBondContact O-N 2.98Å; M343-F346 HydrophobicContact SD-CD2 4.1Å; M343-F346 HydrophobicContact SD-CE2 3.53Å; M343-F346 VanDerWaalsContact SD-CE2 3.53Å; M343-F346 HydrophobicContact SD-CZ 4.44Å; M343-V507 HydrophobicContact SD-CG2 4.38Å
344	L	89.6	Confident	87.7	Confident	28 Å²	28	59.6 Å²	59.6	15%	0.147	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-71.4	-19.2	175.9	-60.8	172.5	0	0	0	112.7	F181 V186 M188 I192 M337 N341 F342 F346	F181-L344 HydrophobicContact CD2-CD2 4.34Å; F181-L344 HydrophobicContact CE2-CD2 3.9Å; F181-L344 HydrophobicContact CE2-CG 4.47Å; V186-L344 HydrophobicContact CG1-CD1 3.73Å; V186-L344 HydrophobicContact CG1-CG 4.39Å; M188-L344 HydrophobicContact CE-CD2 3.58Å; M188-L344 HydrophobicContact SD-CD2 4.08Å; I192-L344 HydrophobicContact CD1-CB 3.92Å; M337-L344 HydrophobicContact CE-CB 4.33Å; N341-L344 VanDerWaalsContact O-CB 3.28Å; N341-L344 WeakPolarHBondContact O-CB 3.34Å; N341-L344 PolarHBondContact O-N 2.9Å; F342-L344 PolarHBondContact O-N 2.92Å; L344-F346 PolarHBondContact O-N 2.9Å
345	T	91.8	Very high	87.7	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-74.5	-15.5	178.8	71.3	0	0	0	0	112.4	E194 S195 Y196 M337 F342 M343	E194-T345 HydrophobicContact CG-CG2 3.58Å; S195-T345 CarbonylContact C-O 3.6Å; S195-T345 WeakPolarHBondContact CA-O 3.27Å; S195-T345 WeakPolarHBondContact CB-O 3.26Å; S195-T345 PolarHBondContact OG-O 3.45Å; Y196-T345 WeakPolarHBondContact CD2-OG1 3.44Å; Y196-T345 PolarHBondContact N-O 2.74Å; M337-T345 HydrophobicContact CE-CG2 3.55Å; F342-T345 HydrophobicContact CD2-CG2 4.34Å; F342-T345 WeakPolarHBondContact O-CB 3.44Å; F342-T345 WeakPolarHBondContact O-CG2 3.36Å; F342-T345 PolarHBondContact O-N 3.06Å; F342-T345 PolarHBondContact O-OG1 3.11Å; M343-T345 PolarHBondContact O-N 3.47Å
346	F	93.4	Very high	88.1	Confident	18 Å²	18	56.9 Å²	56.9	8%	0.079	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	124.9	-173.5	-63.7	-23.3	0	0	0	113.3	Y196 W207 V267 F342 M343 L344 T506 A510	Y196-F346 HydrophobicContact CD2-CE1 4.5Å; Y196-F346 WeakPolarHBondContact O-CA 3.49Å; W207-F346 HydrophobicContact CH2-CD1 4.33Å; W207-F346 AromaticContact CH2-CE1 3.73Å; W207-F346 HydrophobicContact CH2-CE1 3.73Å; W207-F346 HydrophobicContact CH2-CE2 4.35Å; W207-F346 AromaticContact CH2-CZ 3.73Å; W207-F346 HydrophobicContact CH2-CZ 3.73Å; W207-F346 HydrophobicContact CZ3-CD1 4.18Å; W207-F346 AromaticContact CZ3-CE1 3.93Å; W207-F346 HydrophobicContact CZ3-CE1 3.93Å; W207-F346 HydrophobicContact CZ3-CZ 4.38Å; V267-F346 HydrophobicContact CG2-CE2 3.9Å; V267-F346 HydrophobicContact CG2-CZ 3.8Å; F342-F346 HydrophobicContact CD1-CE1 4.48Å; F342-F346 HydrophobicContact CD1-CZ 4Å; F342-F346 AromaticContact CE1-CE1 3.72Å; F342-F346 HydrophobicContact CE1-CE1 3.72Å; F342-F346 HydrophobicContact CE1-CE2 4.37Å; F342-F346 AromaticContact CE1-CZ 3.34Å; F342-F346 HydrophobicContact CE1-CZ 3.34Å; F342-F346 HydrophobicContact CE2-CE1 4.04Å; F342-F346 HydrophobicContact CE2-CZ 4.47Å; F342-F346 AromaticContact CZ-CE1 3.42Å; F342-F346 HydrophobicContact CZ-CE1 3.42Å; F342-F346 VanDerWaalsContact CZ-CE1 3.42Å; F342-F346 AromaticContact CZ-CZ 3.59Å; F342-F346 HydrophobicContact CZ-CZ 3.59Å; M343-F346 PolarHBondContact O-N 2.98Å; M343-F346 HydrophobicContact SD-CD2 4.1Å; M343-F346 HydrophobicContact SD-CE2 3.53Å; M343-F346 VanDerWaalsContact SD-CE2 3.53Å; M343-F346 HydrophobicContact SD-CZ 4.44Å; L344-F346 PolarHBondContact O-N 2.9Å; F346-T506 HydrophobicContact CB-CG2 4Å; F346-T506 HydrophobicContact CD2-CG2 4.09Å; F346-A510 HydrophobicContact CD2-CB 3.92Å; F346-A510 HydrophobicContact CE2-CB 3.45Å; F346-A510 VanDerWaalsContact CE2-CB 3.45Å; F346-A510 HydrophobicContact CZ-CB 4.08Å
347	Q	94.5	Very high	88.6	Confident	106 Å²	106	55 Å²	55	50%	0.495	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.1	165.6	-67.5	170.9	16.8	0	0	108.7	S195 Y196 T197 I198	S195-Q347 WeakPolarHBondContact OG-CG 3.46Å; S195-Q347 PolarHBondContact OG-NE2 2.81Å; Y196-Q347 PolarHBondContact O-N 2.83Å; T197-Q347 HydrophobicContact CG2-CB 4.27Å; T197-Q347 PolarHBondContact OG1-OE1 2.71Å; I198-Q347 PolarHBondContact N-O 3.07Å
348	I	94.9	Very high	89.2	Confident	50 Å²	50	54.7 Å²	54.7	26%	0.256	28%	0.279	S	S	.	.			trans	-100.8	156.1	-179.1	63.4	171	0	0	0	112.3	I198 T506 F509	I198-I348 HydrophobicContact CD1-CG2 4.33Å; I348-T506 HydrophobicContact CG2-CG2 4Å; I348-F509 HydrophobicContact CB-CB 4.46Å; I348-F509 HydrophobicContact CB-CD2 4Å; I348-F509 HydrophobicContact CB-CG 4.29Å; I348-F509 HydrophobicContact CD1-CD2 3.93Å; I348-F509 HydrophobicContact CD1-CE2 4.21Å; I348-F509 HydrophobicContact CG2-CB 3.93Å; I348-F509 HydrophobicContact CG2-CD2 4.21Å; I348-F509 HydrophobicContact CG2-CG 4.28Å
349	P	93.8	Very high	89.8	Confident	20 Å²	20	54.2 Å²	54.2	13%	0.13	28%	0.276	C	S	.	.			trans	-61.1	152.5	171.1	-21.4	33.8	0	0	0	112.4	I198 M200 E351 F509	I198-P349 HydrophobicContact CG2-CG 4.47Å; I198-P349 WeakPolarHBondContact O-CD 3.21Å; I198-P349 WeakPolarHBondContact O-CG 3.42Å; M200-P349 HydrophobicContact CG-CB 3.86Å; M200-P349 HydrophobicContact CG-CG 3.73Å; M200-P349 HydrophobicContact SD-CG 4.06Å; P349-E351 HydrophobicContact CB-CB 4.5Å; P349-E351 PolarHBondContact O-N 3.33Å; P349-F509 HydrophobicContact CB-CE1 4.38Å; P349-F509 HydrophobicContact CG-CD1 4.34Å; P349-F509 HydrophobicContact CG-CE1 4.05Å
350	N	90	Very high	90.8	Very high	166 Å²	166	58.7 Å²	58.7	89%	0.888	29%	0.294	S	S	*	.	S	Bend	trans	-73.2	-12.5	173.3	-72.2	-31.9	0	0	0	113.3
351	E	88.7	Confident	91.5	Very high	105 Å²	105	61.5 Å²	61.5	49%	0.491	30%	0.302	S	S	.	.			trans	-59.9	137.8	-177.1	-70.8	179.9	-151	0	0	112.5	M200 P349 R505	M200-E351 WeakPolarHBondContact CE-OE2 3.35Å; M200-E351 WeakPolarHBondContact CG-OE2 3.38Å; P349-E351 HydrophobicContact CB-CB 4.5Å; P349-E351 PolarHBondContact O-N 3.33Å; E351-R505 PolarHBondContact O-NH2 3.24Å
352	H	85.3	Confident	92.1	Very high	148 Å²	148	59.5 Å²	59.5	69%	0.685	29%	0.291	S	S	*	.			trans	-84.8	130.4	175.6	-167.1	84.3	0	0	0	109.9
353	Q	87.5	Confident	92.5	Very high	39 Å²	39	62.1 Å²	62.1	18%	0.182	31%	0.305	C	S	.	.			trans	-117.2	137.5	169.3	-62.3	-168.8	-70.3	0	0	107.9	V358 F509	Q353-V358 HydrophobicContact CB-CG2 3.92Å; Q353-F509 HydrophobicContact CG-CE1 4.31Å; Q353-F509 HydrophobicContact CG-CZ 4.06Å
354	D	90.7	Very high	93	Very high	85 Å²	85	65.9 Å²	65.9	46%	0.455	33%	0.331	S	S	.	.			trans	-64.9	134.2	168.8	-161.9	-48.3	0	0	0	109.1	Q356 D357 V358	D354-Q356 VanDerWaalsContact C-N 3.26Å; D354-Q356 PolarHBondContact O-N 3.08Å; D354-Q356 WeakPolarHBondContact OD1-CB 3.5Å; D354-Q356 PolarHBondContact OD1-N 3.35Å; D354-D357 HydrophobicContact CB-CB 4.23Å; D354-D357 PolarHBondContact O-N 3.4Å; D354-V358 WeakPolarHBondContact O-CG2 3.37Å; D354-V358 PolarHBondContact O-N 2.87Å
355	L	90.1	Very high	93.4	Very high	32 Å²	32	64.9 Å²	64.9	17%	0.168	33%	0.326	C	S	.	.	H	α-helix	trans	-69.5	-26.8	179.2	-66.6	177.5	0	0	0	112	E359 F477 V480 R501 R505	L355-E359 WeakPolarHBondContact O-CB 3.49Å; L355-E359 PolarHBondContact O-N 2.89Å; L355-F477 HydrophobicContact CB-CE1 4.47Å; L355-F477 HydrophobicContact CD2-CE1 4.22Å; L355-V480 HydrophobicContact CD1-CG1 3.83Å; L355-V480 HydrophobicContact CD1-CG2 4.5Å; L355-R501 HydrophobicContact CD1-CG 4.1Å; L355-R505 HydrophobicContact CD2-CG 3.99Å
356	Q	92.7	Very high	93.7	Very high	115 Å²	115	69.8 Å²	69.8	54%	0.537	35%	0.347	S	S	.	.	H	α-helix	trans	-66.9	-48.8	173.9	-177.2	174.7	-23.9	0	0	110.7	D354 V358 E359 E360	D354-Q356 VanDerWaalsContact C-N 3.26Å; D354-Q356 PolarHBondContact O-N 3.08Å; D354-Q356 WeakPolarHBondContact OD1-CB 3.5Å; D354-Q356 PolarHBondContact OD1-N 3.35Å; Q356-V358 VanDerWaalsContact C-N 3.25Å; Q356-V358 PolarHBondContact O-N 3.26Å; Q356-E359 PolarHBondContact O-N 3.35Å; Q356-E360 HydrophobicContact CG-CG 4.43Å; Q356-E360 WeakPolarHBondContact CG-OE1 3.25Å; Q356-E360 PolarHBondContact NE2-OE1 2.97Å; Q356-E360 WeakPolarHBondContact O-CG 3.37Å; Q356-E360 PolarHBondContact O-N 3.35Å
357	D	94.3	Very high	93.9	Very high	106 Å²	106	72.8 Å²	72.8	57%	0.567	37%	0.37	S	S	*	.	H	α-helix	trans	-56.6	-40.4	176.4	-70.1	-9.1	0	0	0	111.7	D354 R361	D354-D357 HydrophobicContact CB-CB 4.23Å; D354-D357 PolarHBondContact O-N 3.4Å; D357-R361 VanDerWaalsContact O-CB 3.32Å; D357-R361 WeakPolarHBondContact O-CB 3.43Å; D357-R361 PolarHBondContact O-N 2.9Å
358	V	94.9	Very high	94.1	Very high	6 Å²	6	70.8 Å²	70.8	4%	0.036	36%	0.36	C	S	.	.	H	α-helix	trans	-70.1	-38.7	176.6	-175.4	0	0	0	0	111.3	Q353 D354 Q356 R361 V362 F477 Q512	Q353-V358 HydrophobicContact CB-CG2 3.92Å; D354-V358 WeakPolarHBondContact O-CG2 3.37Å; D354-V358 PolarHBondContact O-N 2.87Å; Q356-V358 VanDerWaalsContact C-N 3.25Å; Q356-V358 PolarHBondContact O-N 3.26Å; V358-R361 PolarHBondContact O-N 3.48Å; V358-V362 HydrophobicContact CG1-CG2 4.46Å; V358-V362 WeakPolarHBondContact O-CB 3.47Å; V358-V362 VanDerWaalsContact O-CG2 3.24Å; V358-V362 WeakPolarHBondContact O-CG2 3.47Å; V358-V362 PolarHBondContact O-N 3.18Å; V358-F477 HydrophobicContact CB-CZ 4.22Å; V358-F477 HydrophobicContact CG1-CZ 3.95Å; V358-Q512 HydrophobicContact CG1-CG 4.44Å
359	E	95.2	Very high	94.3	Very high	44 Å²	44	68.8 Å²	68.8	21%	0.206	35%	0.351	C	S	.	.	H	α-helix	trans	-64	-43.8	175.8	-170.4	169.8	-154.5	0	0	111.7	L355 Q356 V362 D363 F477 K481	L355-E359 WeakPolarHBondContact O-CB 3.49Å; L355-E359 PolarHBondContact O-N 2.89Å; Q356-E359 PolarHBondContact O-N 3.35Å; E359-V362 PolarHBondContact O-N 2.95Å; E359-D363 PolarHBondContact O-N 3.45Å; E359-F477 HydrophobicContact CB-CD2 4.04Å; E359-F477 HydrophobicContact CB-CE1 4.47Å; E359-F477 HydrophobicContact CB-CE2 3.67Å; E359-F477 HydrophobicContact CB-CZ 3.9Å; E359-F477 HydrophobicContact CG-CD2 3.81Å; E359-F477 HydrophobicContact CG-CE2 3.85Å; E359-K481 IonicContact OE1-NZ 2.67Å; E359-K481 PolarHBondContact OE1-NZ 2.73Å; E359-K481 IonicContact OE2-NZ 3.58Å; E359-K481 PolarHBondContact OE2-NZ 3.33Å
360	E	96.6	Very high	94.5	Very high	104 Å²	104	73.7 Å²	73.7	49%	0.486	37%	0.371	S	S	.	.	H	α-helix	trans	-64.3	-39.1	175	-70.2	-176.6	-159.8	0	0	112.3	Q356 D363 S364	Q356-E360 HydrophobicContact CG-CG 4.43Å; Q356-E360 WeakPolarHBondContact CG-OE1 3.25Å; Q356-E360 PolarHBondContact NE2-OE1 2.97Å; Q356-E360 WeakPolarHBondContact O-CG 3.37Å; Q356-E360 PolarHBondContact O-N 3.35Å; E360-D363 PolarHBondContact O-N 3.22Å; E360-S364 WeakPolarHBondContact O-CB 3.2Å; E360-S364 PolarHBondContact O-N 3.29Å; E360-S364 PolarHBondContact O-OG 3.33Å
361	R	96	Very high	94.9	Very high	74 Å²	74	72.1 Å²	72.1	28%	0.279	36%	0.356	S	S	.	.	H	α-helix	trans	-64.1	-41	173.3	-173	180	-177.5	163.9	10.6	111.8	K203 D357 V358 S364 F365 M515 N516	K203-R361 PolarHBondContact O-NH2 2.94Å; D357-R361 VanDerWaalsContact O-CB 3.32Å; D357-R361 WeakPolarHBondContact O-CB 3.43Å; D357-R361 PolarHBondContact O-N 2.9Å; V358-R361 PolarHBondContact O-N 3.48Å; R361-S364 PolarHBondContact O-N 2.88Å; R361-F365 WeakPolarHBondContact O-CB 3.36Å; R361-F365 PolarHBondContact O-N 3.35Å; R361-M515 HydrophobicContact CG-CE 4.06Å; R361-N516 PolarHBondContact NH2-OD1 2.94Å; R361-N516 VanDerWaalsContact NH2-OD1 3.08Å
362	V	96.7	Very high	95.4	Very high	1 Å²	1	68.1 Å²	68.1	1%	0.006	34%	0.337	C	S	.	.	H	α-helix	trans	-67	-39.7	177.7	167.2	0	0	0	0	111.5	V358 E359 F365 K366 I470 Q473 L511	V358-V362 HydrophobicContact CG1-CG2 4.46Å; V358-V362 WeakPolarHBondContact O-CB 3.47Å; V358-V362 VanDerWaalsContact O-CG2 3.24Å; V358-V362 WeakPolarHBondContact O-CG2 3.47Å; V358-V362 PolarHBondContact O-N 3.18Å; E359-V362 PolarHBondContact O-N 2.95Å; V362-F365 PolarHBondContact O-N 3.14Å; V362-K366 WeakPolarHBondContact O-CB 3.16Å; V362-K366 PolarHBondContact O-N 3.44Å; V362-I470 HydrophobicContact CG1-CG2 3.83Å; V362-Q473 HydrophobicContact CG2-CG 4.36Å; V362-L511 HydrophobicContact CG1-CD2 4.32Å; V362-L511 HydrophobicContact CG2-CD2 3.86Å
363	D	97.5	Very high	96	Very high	56 Å²	56	62.8 Å²	62.8	30%	0.299	31%	0.314	S	S	.	.	H	α-helix	trans	-72.2	-34.1	175.4	-89	-34.5	0	0	0	113.6	E359 E360 K366 S367 K474	E359-D363 PolarHBondContact O-N 3.45Å; E360-D363 PolarHBondContact O-N 3.22Å; D363-K366 PolarHBondContact O-N 2.97Å; D363-S367 WeakPolarHBondContact O-CB 3.38Å; D363-S367 PolarHBondContact O-N 3.26Å; D363-S367 PolarHBondContact O-OG 3.42Å; D363-K474 WeakPolarHBondContact OD1-CE 3.49Å; D363-K474 IonicContact OD1-NZ 3.89Å; D363-K474 PolarHBondContact OD1-NZ 3.08Å; D363-K474 IonicContact OD2-NZ 2.76Å; D363-K474 PolarHBondContact OD2-NZ 2.82Å
364	S	98.1	Very high	96.5	Very high	81 Å²	81	64.3 Å²	64.3	57%	0.566	32%	0.323	S	S	*	.	H	α-helix	trans	-59.5	-47.4	168.8	-62.5	0	0	0	0	110.9	E360 R361 S367 F368	E360-S364 WeakPolarHBondContact O-CB 3.2Å; E360-S364 PolarHBondContact O-N 3.29Å; E360-S364 PolarHBondContact O-OG 3.33Å; R361-S364 PolarHBondContact O-N 2.88Å; S364-S367 PolarHBondContact O-N 3.1Å; S364-F368 PolarHBondContact O-N 2.94Å
365	F	98.4	Very high	96.9	Very high	6 Å²	6	62.5 Å²	62.5	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-66.6	-40.2	177.2	-178.1	-91.8	0	0	0	112.7	R361 V362 S367 F368 A369 F466 I470 M515 F518 H519	R361-F365 WeakPolarHBondContact O-CB 3.36Å; R361-F365 PolarHBondContact O-N 3.35Å; V362-F365 PolarHBondContact O-N 3.14Å; F365-S367 VanDerWaalsContact C-N 3.27Å; F365-S367 PolarHBondContact O-N 3.44Å; F365-F368 AromaticContact CD2-CD1 3.89Å; F365-F368 HydrophobicContact CD2-CD1 3.89Å; F365-F368 HydrophobicContact CD2-CE1 4.41Å; F365-F368 AromaticContact CE2-CD1 3.89Å; F365-F368 HydrophobicContact CE2-CD1 3.89Å; F365-F368 AromaticContact CE2-CE1 3.98Å; F365-F368 HydrophobicContact CE2-CE1 3.98Å; F365-F368 CarbonylContact O-C 3.56Å; F365-F368 WeakPolarHBondContact O-CB 3.44Å; F365-F368 PolarHBondContact O-N 2.93Å; F365-A369 HydrophobicContact CD1-CB 4.4Å; F365-A369 HydrophobicContact CE1-CB 4.03Å; F365-A369 HydrophobicContact CZ-CB 4.39Å; F365-A369 VanDerWaalsContact O-CB 3.31Å; F365-A369 WeakPolarHBondContact O-CB 3.45Å; F365-A369 PolarHBondContact O-N 3.37Å; F365-F466 HydrophobicContact CE1-CB 4.33Å; F365-F466 AromaticContact CE1-CD1 3.55Å; F365-F466 HydrophobicContact CE1-CD1 3.55Å; F365-F466 HydrophobicContact CE1-CD2 4.17Å; F365-F466 AromaticContact CE1-CE1 3.8Å; F365-F466 HydrophobicContact CE1-CE1 3.8Å; F365-F466 HydrophobicContact CE1-CE2 4.4Å; F365-F466 AromaticContact CE1-CG 3.75Å; F365-F466 HydrophobicContact CE1-CG 3.75Å; F365-F466 HydrophobicContact CE1-CZ 4.23Å; F365-F466 HydrophobicContact CZ-CD1 4.04Å; F365-F466 HydrophobicContact CZ-CD2 4.17Å; F365-F466 AromaticContact CZ-CE1 3.86Å; F365-F466 HydrophobicContact CZ-CE1 3.86Å; F365-F466 HydrophobicContact CZ-CE2 4.01Å; F365-F466 HydrophobicContact CZ-CG 4.2Å; F365-F466 AromaticContact CZ-CZ 3.85Å; F365-F466 HydrophobicContact CZ-CZ 3.85Å; F365-I470 HydrophobicContact CD1-CD1 3.95Å; F365-I470 HydrophobicContact CE1-CD1 4.28Å; F365-M515 HydrophobicContact CB-CE 3.39Å; F365-M515 HydrophobicContact CB-SD 3.89Å; F365-M515 HydrophobicContact CD1-CE 4.37Å; F365-M515 HydrophobicContact CD1-CG 3.73Å; F365-M515 HydrophobicContact CD1-SD 3.87Å; F365-M515 HydrophobicContact CD2-CB 4.05Å; F365-M515 HydrophobicContact CD2-CE 3.84Å; F365-M515 HydrophobicContact CD2-CG 3.77Å; F365-M515 HydrophobicContact CD2-SD 4.24Å; F365-M515 HydrophobicContact CE1-CG 3.8Å; F365-M515 HydrophobicContact CE2-CB 3.99Å; F365-M515 HydrophobicContact CE2-CG 3.82Å; F365-M515 HydrophobicContact CG-CB 4.47Å; F365-M515 HydrophobicContact CG-CE 3.61Å; F365-M515 HydrophobicContact CG-CG 3.73Å; F365-M515 HydrophobicContact CG-SD 3.72Å; F365-M515 HydrophobicContact CZ-CB 4.39Å; F365-M515 HydrophobicContact CZ-CG 3.85Å; F365-F518 HydrophobicContact CE2-CD1 4.23Å; F365-F518 HydrophobicContact CZ-CD1 4.24Å; F365-H519 AromaticContact CD2-CE1 3.92Å; F365-H519 AromaticContact CD2-NE2 3.52Å; F365-H519 AromaticContact CE2-CE1 3.74Å; F365-H519 AromaticContact CE2-NE2 3.62Å
366	K	98.1	Very high	97.3	Very high	104 Å²	104	61.3 Å²	61.3	45%	0.452	31%	0.311	S	S	.	.	H	α-helix	trans	-54.6	-45.3	173.6	-176.5	-173.3	173.5	-172.5	0	111.7	V362 D363 K370 I470	V362-K366 WeakPolarHBondContact O-CB 3.16Å; V362-K366 PolarHBondContact O-N 3.44Å; D363-K366 PolarHBondContact O-N 2.97Å; K366-K370 PolarHBondContact O-N 3.39Å; K366-K370 VanDerWaalsContact O-N 3.08Å; K366-I470 HydrophobicContact CB-CD1 3.98Å; K366-I470 HydrophobicContact CB-CG2 4.36Å; K366-I470 HydrophobicContact CD-CG2 4.25Å; K366-I470 HydrophobicContact CG-CD1 4.31Å; K366-I470 HydrophobicContact CG-CG2 4.37Å
367	S	98.5	Very high	97.5	Very high	81 Å²	81	60.4 Å²	60.4	57%	0.566	31%	0.308	S	S	*	.	H	α-helix	trans	-66.5	-43.9	179	-56.3	0	0	0	0	111.4	D363 S364 F365 K371	D363-S367 WeakPolarHBondContact O-CB 3.38Å; D363-S367 PolarHBondContact O-N 3.26Å; D363-S367 PolarHBondContact O-OG 3.42Å; S364-S367 PolarHBondContact O-N 3.1Å; F365-S367 VanDerWaalsContact C-N 3.27Å; F365-S367 PolarHBondContact O-N 3.44Å; S367-K371 WeakPolarHBondContact O-CB 3.47Å; S367-K371 PolarHBondContact O-N 2.85Å; S367-K371 VanDerWaalsContact O-N 3.08Å
368	F	98.6	Very high	97.7	Very high	63 Å²	63	61.6 Å²	61.6	28%	0.276	31%	0.31	S	S	.	.	H	α-helix	trans	-59.4	-50.9	172.5	158	-94.7	0	0	0	112.4	S364 F365 K370 K371 M372 F518 H519 R522	S364-F368 PolarHBondContact O-N 2.94Å; F365-F368 AromaticContact CD2-CD1 3.89Å; F365-F368 HydrophobicContact CD2-CD1 3.89Å; F365-F368 HydrophobicContact CD2-CE1 4.41Å; F365-F368 AromaticContact CE2-CD1 3.89Å; F365-F368 HydrophobicContact CE2-CD1 3.89Å; F365-F368 AromaticContact CE2-CE1 3.98Å; F365-F368 HydrophobicContact CE2-CE1 3.98Å; F365-F368 CarbonylContact O-C 3.56Å; F365-F368 WeakPolarHBondContact O-CB 3.44Å; F365-F368 PolarHBondContact O-N 2.93Å; F368-K370 PolarHBondContact O-N 3.25Å; F368-K371 PolarHBondContact O-N 3.49Å; F368-K371 VanDerWaalsContact O-N 3.14Å; F368-M372 HydrophobicContact CE1-SD 4.17Å; F368-M372 HydrophobicContact CE2-CB 4.29Å; F368-M372 HydrophobicContact CE2-SD 4.25Å; F368-M372 HydrophobicContact CZ-CB 4.16Å; F368-M372 HydrophobicContact CZ-CG 4.37Å; F368-M372 HydrophobicContact CZ-SD 3.49Å; F368-M372 WeakPolarHBondContact CZ-SD 3.27Å; F368-M372 WeakPolarHBondContact O-CB 3.48Å; F368-M372 PolarHBondContact O-N 2.88Å; F368-F518 HydrophobicContact CE1-CD1 4.49Å; F368-F518 AromaticContact CE1-CE1 3.91Å; F368-F518 HydrophobicContact CE1-CE1 3.91Å; F368-F518 HydrophobicContact CZ-CE1 4.23Å; F368-H519 AromaticContact CD1-CE1 3.74Å; F368-H519 AromaticContact CE1-CE1 3.4Å; F368-H519 WeakPolarHBondContact CE1-CE1 3.49Å; F368-H519 AromaticContact CE1-ND1 4Å; F368-H519 AromaticContact CZ-CE1 3.79Å; F368-R522 VanDerWaalsContact CE2-NH1 3.33Å
369	A	98.3	Very high	97.9	Very high	9 Å²	9	64.5 Å²	64.5	7%	0.074	33%	0.325	C	S	.	.	H	α-helix	trans	-62.2	-43.5	-175.5	0	0	0	0	0	110.9	F365 M372 D373 L463	F365-A369 HydrophobicContact CD1-CB 4.4Å; F365-A369 HydrophobicContact CE1-CB 4.03Å; F365-A369 HydrophobicContact CZ-CB 4.39Å; F365-A369 VanDerWaalsContact O-CB 3.31Å; F365-A369 WeakPolarHBondContact O-CB 3.45Å; F365-A369 PolarHBondContact O-N 3.37Å; A369-M372 PolarHBondContact O-N 2.85Å; A369-D373 WeakPolarHBondContact O-CB 3.39Å; A369-D373 PolarHBondContact O-N 3.49Å; A369-L463 HydrophobicContact CB-CD2 4.15Å
370	K	98.2	Very high	98	Very high	123 Å²	123	63.5 Å²	63.5	54%	0.535	32%	0.322	S	S	.	.	H	α-helix	trans	-61.7	-46.3	172.9	175.8	149.6	180	42.6	0	112.2	K366 F368 M372 D373 D374	K366-K370 PolarHBondContact O-N 3.39Å; K366-K370 VanDerWaalsContact O-N 3.08Å; F368-K370 PolarHBondContact O-N 3.25Å; K370-M372 VanDerWaalsContact C-N 3.27Å; K370-M372 PolarHBondContact O-N 2.92Å; K370-D373 PolarHBondContact O-N 2.93Å; K370-D374 IonicContact NZ-OD1 2.86Å; K370-D374 PolarHBondContact NZ-OD1 3.05Å; K370-D374 IonicContact NZ-OD2 3.49Å; K370-D374 PolarHBondContact NZ-OD2 3.39Å; K370-D374 PolarHBondContact O-N 3.17Å
371	K	98.6	Very high	98.1	Very high	132 Å²	132	64.1 Å²	64.1	57%	0.574	33%	0.325	S	S	*	.	H	α-helix	trans	-64.1	-35.3	179.3	-179.2	56.3	-174.7	169.6	0	111.9	S367 F368 S375	S367-K371 WeakPolarHBondContact O-CB 3.47Å; S367-K371 PolarHBondContact O-N 2.85Å; S367-K371 VanDerWaalsContact O-N 3.08Å; F368-K371 PolarHBondContact O-N 3.49Å; F368-K371 VanDerWaalsContact O-N 3.14Å; K371-S375 WeakPolarHBondContact O-CB 3.48Å; K371-S375 PolarHBondContact O-N 3.19Å; K371-S375 VanDerWaalsContact O-N 3.12Å; K371-S375 PolarHBondContact O-OG 2.81Å
372	M	98.5	Very high	98.2	Very high	21 Å²	21	64.2 Å²	64.2	10%	0.103	33%	0.334	C	S	.	.	H	α-helix	trans	-66.7	-44.6	174.7	-172.4	177.8	169.7	0	0	111.3	F368 A369 K370 S375 V376 Y459 L463 F518 R522 F526	F368-M372 HydrophobicContact CE1-SD 4.17Å; F368-M372 HydrophobicContact CE2-CB 4.29Å; F368-M372 HydrophobicContact CE2-SD 4.25Å; F368-M372 HydrophobicContact CZ-CB 4.16Å; F368-M372 HydrophobicContact CZ-CG 4.37Å; F368-M372 HydrophobicContact CZ-SD 3.49Å; F368-M372 WeakPolarHBondContact CZ-SD 3.27Å; F368-M372 WeakPolarHBondContact O-CB 3.48Å; F368-M372 PolarHBondContact O-N 2.88Å; A369-M372 PolarHBondContact O-N 2.85Å; K370-M372 VanDerWaalsContact C-N 3.27Å; K370-M372 PolarHBondContact O-N 2.92Å; M372-S375 PolarHBondContact O-N 3.45Å; M372-V376 HydrophobicContact CE-CG2 4.26Å; M372-V376 HydrophobicContact CG-CG2 4.11Å; M372-V376 WeakPolarHBondContact O-CB 3.39Å; M372-V376 VanDerWaalsContact O-CG2 3.29Å; M372-V376 WeakPolarHBondContact O-CG2 3.25Å; M372-V376 PolarHBondContact O-N 3.46Å; M372-Y459 HydrophobicContact CE-CD1 3.62Å; M372-Y459 HydrophobicContact CE-CE1 4.24Å; M372-Y459 HydrophobicContact CE-CG 4.19Å; M372-L463 HydrophobicContact CB-CD1 4.25Å; M372-L463 HydrophobicContact CB-CD2 4.36Å; M372-L463 HydrophobicContact CE-CD1 4.28Å; M372-L463 HydrophobicContact CG-CD1 3.84Å; M372-L463 HydrophobicContact CG-CD2 4.46Å; M372-L463 HydrophobicContact SD-CD1 4.17Å; M372-L463 HydrophobicContact SD-CD2 4.22Å; M372-F518 HydrophobicContact CE-CZ 4.08Å; M372-F518 HydrophobicContact SD-CE1 3.92Å; M372-F518 HydrophobicContact SD-CZ 3.83Å; M372-R522 HydrophobicContact CE-CG 3.99Å; M372-F526 HydrophobicContact CE-CE2 3.65Å; M372-F526 HydrophobicContact CE-CZ 3.75Å
373	D	98.2	Very high	98.3	Very high	37 Å²	37	64.4 Å²	64.4	20%	0.198	34%	0.335	C	S	.	.	H	α-helix	trans	-57.7	-53.3	176.4	-176.8	47.3	0	0	0	111.2	A369 K370 S375 V376 M377 L463	A369-D373 WeakPolarHBondContact O-CB 3.39Å; A369-D373 PolarHBondContact O-N 3.49Å; K370-D373 PolarHBondContact O-N 2.93Å; D373-S375 VanDerWaalsContact C-N 3.25Å; D373-S375 PolarHBondContact O-N 3.2Å; D373-V376 PolarHBondContact O-N 3.38Å; D373-M377 WeakPolarHBondContact O-CG 3.46Å; D373-M377 PolarHBondContact O-N 3.44Å; D373-L463 HydrophobicContact CB-CB 4.32Å; D373-L463 HydrophobicContact CB-CD1 4.22Å
374	D	98.3	Very high	98.3	Very high	71 Å²	71	64.3 Å²	64.3	38%	0.38	34%	0.339	S	S	.	.	H	α-helix	trans	-55.7	-40.2	177.4	-64.8	-35.9	0	0	0	111.7	K370 Q378	K370-D374 IonicContact NZ-OD1 2.86Å; K370-D374 PolarHBondContact NZ-OD1 3.05Å; K370-D374 IonicContact NZ-OD2 3.49Å; K370-D374 PolarHBondContact NZ-OD2 3.39Å; K370-D374 PolarHBondContact O-N 3.17Å; D374-Q378 PolarHBondContact O-N 2.85Å; D374-Q378 VanDerWaalsContact O-N 3.14Å
375	S	98.6	Very high	98.3	Very high	47 Å²	47	63.6 Å²	63.6	33%	0.329	33%	0.326	S	S	.	.	H	α-helix	trans	-75.6	-36	179	-75.5	0	0	0	0	114.1	K371 M372 D373 Q378 L379	K371-S375 WeakPolarHBondContact O-CB 3.48Å; K371-S375 PolarHBondContact O-N 3.19Å; K371-S375 VanDerWaalsContact O-N 3.12Å; K371-S375 PolarHBondContact O-OG 2.81Å; M372-S375 PolarHBondContact O-N 3.45Å; D373-S375 VanDerWaalsContact C-N 3.25Å; D373-S375 PolarHBondContact O-N 3.2Å; S375-Q378 PolarHBondContact O-N 3.41Å; S375-L379 PolarHBondContact O-N 3.46Å
376	V	98.4	Very high	98.2	Very high	6 Å²	6	65.6 Å²	65.6	4%	0.036	34%	0.337	C	S	.	.	H	α-helix	trans	-68.3	-42.2	174.3	168	0	0	0	0	109.8	M372 D373 Q378 L379 T380 L456 Q460 L463 F526	M372-V376 HydrophobicContact CE-CG2 4.26Å; M372-V376 HydrophobicContact CG-CG2 4.11Å; M372-V376 WeakPolarHBondContact O-CB 3.39Å; M372-V376 VanDerWaalsContact O-CG2 3.29Å; M372-V376 WeakPolarHBondContact O-CG2 3.25Å; M372-V376 PolarHBondContact O-N 3.46Å; D373-V376 PolarHBondContact O-N 3.38Å; V376-Q378 VanDerWaalsContact C-N 3.34Å; V376-Q378 PolarHBondContact O-N 3.33Å; V376-L379 PolarHBondContact O-N 3.28Å; V376-T380 WeakPolarHBondContact O-CB 3.16Å; V376-T380 PolarHBondContact O-N 3.28Å; V376-T380 PolarHBondContact O-OG1 3.31Å; V376-L456 HydrophobicContact CG1-CB 4.18Å; V376-L456 HydrophobicContact CG1-CD2 4.04Å; V376-L456 HydrophobicContact CG2-CD2 4.47Å; V376-Q460 HydrophobicContact CG1-CG 3.62Å; V376-L463 HydrophobicContact CG2-CD1 4.46Å; V376-F526 HydrophobicContact CG2-CZ 4.22Å
377	M	97.3	Very high	98.2	Very high	96 Å²	96	61.5 Å²	61.5	47%	0.473	32%	0.321	S	S	.	.	H	α-helix	trans	-57.7	-44.8	172	-69.5	-165.5	109.9	0	0	112.1	D373 T380 H381	D373-M377 WeakPolarHBondContact O-CG 3.46Å; D373-M377 PolarHBondContact O-N 3.44Å; M377-T380 PolarHBondContact O-N 3.45Å; M377-H381 PolarHBondContact O-N 3.48Å
378	Q	98.4	Very high	98.1	Very high	131 Å²	131	64.2 Å²	64.2	61%	0.612	32%	0.319	S	S	*	.	H	α-helix	trans	-60.7	-46.2	176.8	-174.2	-178.8	3.5	0	0	112.1	D374 S375 V376 H381 V382	D374-Q378 PolarHBondContact O-N 2.85Å; D374-Q378 VanDerWaalsContact O-N 3.14Å; S375-Q378 PolarHBondContact O-N 3.41Å; V376-Q378 VanDerWaalsContact C-N 3.34Å; V376-Q378 PolarHBondContact O-N 3.33Å; Q378-H381 PolarHBondContact O-N 2.97Å; Q378-V382 WeakPolarHBondContact O-CG2 3.41Å; Q378-V382 PolarHBondContact O-N 3.44Å; Q378-V382 VanDerWaalsContact O-N 3.08Å
379	L	98.5	Very high	98	Very high	67 Å²	67	65.7 Å²	65.7	35%	0.351	33%	0.325	S	S	.	.	H	α-helix	trans	-66.1	-42.1	178.7	-178.3	58.5	0	0	0	111.9	S375 V376 H381 V382 A383 L456	S375-L379 PolarHBondContact O-N 3.46Å; V376-L379 PolarHBondContact O-N 3.28Å; L379-H381 VanDerWaalsContact C-N 3.29Å; L379-H381 PolarHBondContact O-N 3.03Å; L379-V382 PolarHBondContact O-N 3.43Å; L379-A383 VanDerWaalsContact O-CB 3.31Å; L379-A383 WeakPolarHBondContact O-CB 3.47Å; L379-A383 PolarHBondContact O-N 3.43Å; L379-L456 HydrophobicContact CB-CD1 4.35Å; L379-L456 HydrophobicContact CD2-CD1 3.98Å; L379-L456 HydrophobicContact CD2-CD2 3.89Å; L379-L456 HydrophobicContact CG-CD1 3.79Å; L379-L456 HydrophobicContact CG-CD2 4.47Å
380	T	98.3	Very high	98	Very high	23 Å²	23	65.5 Å²	65.5	14%	0.141	32%	0.323	C	S	.	.	H	α-helix	trans	-57.7	-42.1	174.5	-63	0	0	0	0	111.4	V376 M377 S384 L453 L456	V376-T380 WeakPolarHBondContact O-CB 3.16Å; V376-T380 PolarHBondContact O-N 3.28Å; V376-T380 PolarHBondContact O-OG1 3.31Å; M377-T380 PolarHBondContact O-N 3.45Å; T380-S384 VanDerWaalsContact O-CB 3.3Å; T380-S384 WeakPolarHBondContact O-CB 3.34Å; T380-S384 PolarHBondContact O-N 2.94Å; T380-S384 PolarHBondContact O-OG 2.82Å; T380-L453 HydrophobicContact CG2-CD2 3.92Å; T380-L453 WeakPolarHBondContact O-CD2 3.48Å; T380-L456 WeakPolarHBondContact OG1-CB 3.2Å
381	H	98.3	Very high	97.7	Very high	118 Å²	118	63.5 Å²	63.5	55%	0.546	32%	0.317	S	S	.	.	H	α-helix	trans	-62.1	-53.7	175.7	-178	76.4	0	0	0	111.6	M377 Q378 L379 A383 S384 E385	M377-H381 PolarHBondContact O-N 3.48Å; Q378-H381 PolarHBondContact O-N 2.97Å; L379-H381 VanDerWaalsContact C-N 3.29Å; L379-H381 PolarHBondContact O-N 3.03Å; H381-A383 PolarHBondContact O-N 3.45Å; H381-S384 PolarHBondContact O-N 3.2Å; H381-S384 VanDerWaalsContact O-N 3.16Å; H381-E385 WeakPolarHBondContact O-CG 3.38Å; H381-E385 PolarHBondContact O-N 3.27Å
382	V	98.6	Very high	97.5	Very high	76 Å²	76	58.4 Å²	58.4	46%	0.461	30%	0.302	S	S	.	.	H	α-helix	trans	-61.2	-41.8	-179.2	173.9	0	0	0	0	112	Q378 L379 E385 L386	Q378-V382 WeakPolarHBondContact O-CG2 3.41Å; Q378-V382 PolarHBondContact O-N 3.44Å; Q378-V382 VanDerWaalsContact O-N 3.08Å; L379-V382 PolarHBondContact O-N 3.43Å; V382-E385 WeakPolarHBondContact O-CB 3.41Å; V382-E385 PolarHBondContact O-N 2.87Å; V382-L386 WeakPolarHBondContact O-CB 3.12Å; V382-L386 PolarHBondContact O-N 3.1Å
383	A	98.3	Very high	97.3	Very high	4 Å²	4	59.1 Å²	59.1	3%	0.033	32%	0.315	C	S	.	.	H	α-helix	trans	-64.5	-40.6	175.8	0	0	0	0	0	111.8	L379 H381 L386 V387 L449 M452 L453	L379-A383 VanDerWaalsContact O-CB 3.31Å; L379-A383 WeakPolarHBondContact O-CB 3.47Å; L379-A383 PolarHBondContact O-N 3.43Å; H381-A383 PolarHBondContact O-N 3.45Å; A383-L386 PolarHBondContact O-N 3.17Å; A383-V387 WeakPolarHBondContact O-CG2 3.41Å; A383-V387 PolarHBondContact O-N 3.23Å; A383-L449 HydrophobicContact CB-CD2 4.35Å; A383-M452 HydrophobicContact CB-SD 4.37Å; A383-L453 HydrophobicContact CB-CD2 3.76Å; A383-L453 HydrophobicContact CB-CG 4.11Å
384	S	97.4	Very high	97.1	Very high	55 Å²	55	60.6 Å²	60.6	39%	0.385	32%	0.32	S	S	.	.	H	α-helix	trans	-66.2	-37.6	175.7	-58.1	0	0	0	0	112.5	T380 H381 L386 R388 L453	T380-S384 VanDerWaalsContact O-CB 3.3Å; T380-S384 WeakPolarHBondContact O-CB 3.34Å; T380-S384 PolarHBondContact O-N 2.94Å; T380-S384 PolarHBondContact O-OG 2.82Å; H381-S384 PolarHBondContact O-N 3.2Å; H381-S384 VanDerWaalsContact O-N 3.16Å; S384-L386 VanDerWaalsContact C-N 3.33Å; S384-R388 PolarHBondContact O-N 2.92Å; S384-L453 WeakPolarHBondContact OG-CD2 3.32Å
385	E	97.7	Very high	97	Very high	65 Å²	65	61.7 Å²	61.7	30%	0.304	32%	0.319	S	S	.	.	H	α-helix	trans	-62.1	-41.6	170.6	-68.4	-141.2	99.2	0	0	112.1	H381 V382 R388 K389	H381-E385 WeakPolarHBondContact O-CG 3.38Å; H381-E385 PolarHBondContact O-N 3.27Å; V382-E385 WeakPolarHBondContact O-CB 3.41Å; V382-E385 PolarHBondContact O-N 2.87Å; E385-R388 PolarHBondContact O-N 3.04Å; E385-R388 IonicContact OE1-CZ 2.74Å; E385-R388 IonicContact OE1-NH2 3.76Å; E385-R388 PolarHBondContact OE1-NH2 2.83Å; E385-K389 WeakPolarHBondContact O-CG 3.43Å; E385-K389 PolarHBondContact O-N 3.14Å
386	L	97.8	Very high	96.9	Very high	48 Å²	48	66.3 Å²	66.3	25%	0.251	33%	0.333	S	S	.	.	H	α-helix	trans	-67.6	-39.8	-179.2	-171.7	58.4	0	0	0	111.5	V382 A383 S384 R388 K389 H390 F394 L449	V382-L386 WeakPolarHBondContact O-CB 3.12Å; V382-L386 PolarHBondContact O-N 3.1Å; A383-L386 PolarHBondContact O-N 3.17Å; S384-L386 VanDerWaalsContact C-N 3.33Å; L386-R388 PolarHBondContact O-N 2.92Å; L386-K389 PolarHBondContact O-N 3.33Å; L386-H390 PolarHBondContact O-N 3.36Å; L386-H390 PolarHBondContact O-ND1 3.27Å; L386-F394 HydrophobicContact CD1-CE2 4.15Å; L386-F394 HydrophobicContact CD1-CZ 4.5Å; L386-L449 HydrophobicContact CB-CD1 4.28Å; L386-L449 HydrophobicContact CD2-CD1 4.1Å; L386-L449 HydrophobicContact CD2-CD2 4.11Å; L386-L449 HydrophobicContact CG-CD1 3.93Å
387	V	97.5	Very high	96.9	Very high	18 Å²	18	70.6 Å²	70.6	11%	0.109	35%	0.353	C	S	.	.	H	α-helix	trans	-53	-51.5	169.3	164.4	0	0	0	0	111.1	A383 K389 H390 L391 P445 L449 F450 L453	A383-V387 WeakPolarHBondContact O-CG2 3.41Å; A383-V387 PolarHBondContact O-N 3.23Å; V387-K389 VanDerWaalsContact C-N 3.3Å; V387-K389 PolarHBondContact O-N 3.15Å; V387-H390 WeakPolarHBondContact O-CB 3.37Å; V387-H390 PolarHBondContact O-N 3.25Å; V387-H390 VanDerWaalsContact O-N 3.15Å; V387-L391 HydrophobicContact CG1-CD1 3.68Å; V387-L391 HydrophobicContact CG1-CG 4.43Å; V387-L391 WeakPolarHBondContact O-CG 3.41Å; V387-L391 PolarHBondContact O-N 3.14Å; V387-P445 HydrophobicContact CG2-CB 4.24Å; V387-L449 HydrophobicContact CG2-CB 3.69Å; V387-L449 HydrophobicContact CG2-CD1 3.96Å; V387-L449 HydrophobicContact CG2-CG 4.43Å; V387-F450 HydrophobicContact CG1-CE1 3.71Å; V387-F450 HydrophobicContact CG2-CD1 4.16Å; V387-F450 HydrophobicContact CG2-CE1 4.01Å; V387-L453 HydrophobicContact CG2-CD1 3.82Å
388	R	96.5	Very high	96.9	Very high	138 Å²	138	68.5 Å²	68.5	52%	0.521	34%	0.341	S	S	.	.	H	α-helix	trans	-62.1	-36.4	179.1	171.7	174.7	45.8	70.6	-2.7	112.3	S384 E385 L386 G392	S384-R388 PolarHBondContact O-N 2.92Å; E385-R388 PolarHBondContact O-N 3.04Å; E385-R388 IonicContact OE1-CZ 2.74Å; E385-R388 IonicContact OE1-NH2 3.76Å; E385-R388 PolarHBondContact OE1-NH2 2.83Å; L386-R388 PolarHBondContact O-N 2.92Å; R388-G392 PolarHBondContact O-N 3.08Å
389	K	97.3	Very high	96.8	Very high	94 Å²	94	64.9 Å²	64.9	41%	0.409	32%	0.324	S	S	.	.	I	π-helix	trans	-66.4	-39.7	173.7	-73.4	175.2	-177.7	172.2	0	112.1	E385 L386 V387 G393 F394	E385-K389 WeakPolarHBondContact O-CG 3.43Å; E385-K389 PolarHBondContact O-N 3.14Å; L386-K389 PolarHBondContact O-N 3.33Å; V387-K389 VanDerWaalsContact C-N 3.3Å; V387-K389 PolarHBondContact O-N 3.15Å; K389-G393 CarbonylContact O-C 3.59Å; K389-G393 VanDerWaalsContact O-CA 3.32Å; K389-G393 WeakPolarHBondContact O-CA 3.33Å; K389-G393 PolarHBondContact O-N 2.89Å; K389-F394 HydrophobicContact CB-CD2 4.41Å; K389-F394 HydrophobicContact CB-CE2 4.01Å; K389-F394 HydrophobicContact CB-CZ 4.06Å; K389-F394 PolarHBondContact O-N 2.84Å
390	H	96.9	Very high	96.8	Very high	5 Å²	5	69.4 Å²	69.4	2%	0.023	34%	0.336	C	S	.	.	I	π-helix	trans	-64.2	-55.1	175.8	-80.9	76.2	0	0	0	112.3	L386 V387 G392 F394 F441 P445	L386-H390 PolarHBondContact O-N 3.36Å; L386-H390 PolarHBondContact O-ND1 3.27Å; V387-H390 WeakPolarHBondContact O-CB 3.37Å; V387-H390 PolarHBondContact O-N 3.25Å; V387-H390 VanDerWaalsContact O-N 3.15Å; H390-G392 VanDerWaalsContact C-N 3.29Å; H390-G392 PolarHBondContact O-N 3.43Å; H390-F394 AromaticContact CE1-CE2 3.76Å; H390-F394 AromaticContact CG-CD2 3.99Å; H390-F394 AromaticContact ND1-CD2 3.91Å; H390-F394 AromaticContact ND1-CE2 3.74Å; H390-F441 WeakPolarHBondContact CB-O 3.2Å; H390-F441 AromaticContact CD2-CD1 3.71Å; H390-F441 PolarHBondContact CD2-O 2.98Å; H390-F441 VanDerWaalsContact CD2-O 3.28Å; H390-F441 AromaticContact NE2-CD1 3.86Å; H390-P445 HydrophobicContact CB-CG 3.42Å; H390-P445 VanDerWaalsContact CB-CG 3.42Å
391	L	93.1	Very high	96.8	Very high	81 Å²	81	71.6 Å²	71.6	42%	0.424	35%	0.347	S	S	.	.	I	π-helix	trans	-62.1	-32.7	-176.4	-68.6	168.4	0	0	0	113.8	V387 A442	V387-L391 HydrophobicContact CG1-CD1 3.68Å; V387-L391 HydrophobicContact CG1-CG 4.43Å; V387-L391 WeakPolarHBondContact O-CG 3.41Å; V387-L391 PolarHBondContact O-N 3.14Å; L391-A442 VanDerWaalsContact CD2-O 3.3Å; L391-A442 WeakPolarHBondContact CD2-O 3.49Å
392	G	94.1	Very high	96.8	Very high	25 Å²	25	66 Å²	66	26%	0.258	32%	0.321	S	S	.	.	I	π-helix	trans	-119.1	-60.4	-174.5	0	0	0	0	0	114.7	R388 H390 K396	R388-G392 PolarHBondContact O-N 3.08Å; H390-G392 VanDerWaalsContact C-N 3.29Å; H390-G392 PolarHBondContact O-N 3.43Å; G392-K396 WeakPolarHBondContact O-CB 3.49Å; G392-K396 WeakPolarHBondContact O-CD 3.16Å; G392-K396 WeakPolarHBondContact O-CG 3.44Å; G392-K396 PolarHBondContact O-N 3.15Å; G392-K396 VanDerWaalsContact O-N 3.13Å
393	G	93.8	Very high	96.8	Very high	36 Å²	36	65.9 Å²	65.9	37%	0.371	32%	0.318	S	S	.	.	I	π-helix	trans	-65	-60.8	-169.6	0	0	0	0	0	113.5	K389 R395 K396 E397	K389-G393 CarbonylContact O-C 3.59Å; K389-G393 VanDerWaalsContact O-CA 3.32Å; K389-G393 WeakPolarHBondContact O-CA 3.33Å; K389-G393 PolarHBondContact O-N 2.89Å; G393-R395 PolarHBondContact O-N 2.77Å; G393-K396 PolarHBondContact O-N 2.91Å; G393-E397 WeakPolarHBondContact O-CG 3.41Å; G393-E397 PolarHBondContact O-N 3.02Å
394	F	95	Very high	96.8	Very high	69 Å²	69	68 Å²	68	30%	0.303	34%	0.335	S	S	.	.	I	π-helix	trans	-62.4	-44.1	-178.1	-59.7	-32.8	0	0	0	111.5	L386 K389 H390 K396 E397 F398 F441	L386-F394 HydrophobicContact CD1-CE2 4.15Å; L386-F394 HydrophobicContact CD1-CZ 4.5Å; K389-F394 HydrophobicContact CB-CD2 4.41Å; K389-F394 HydrophobicContact CB-CE2 4.01Å; K389-F394 HydrophobicContact CB-CZ 4.06Å; K389-F394 PolarHBondContact O-N 2.84Å; H390-F394 AromaticContact CE1-CE2 3.76Å; H390-F394 AromaticContact CG-CD2 3.99Å; H390-F394 AromaticContact ND1-CD2 3.91Å; H390-F394 AromaticContact ND1-CE2 3.74Å; F394-K396 PolarHBondContact O-N 2.83Å; F394-E397 PolarHBondContact O-N 3.04Å; F394-F398 HydrophobicContact CB-CD2 4.46Å; F394-F398 HydrophobicContact CB-CE2 4.49Å; F394-F398 WeakPolarHBondContact O-CD2 3.11Å; F394-F398 PolarHBondContact O-N 2.85Å; F394-F441 HydrophobicContact CB-CB 4.11Å; F394-F441 HydrophobicContact CB-CD1 4.08Å; F394-F441 HydrophobicContact CB-CG 4.07Å; F394-F441 AromaticContact CD2-CD1 3.8Å; F394-F441 HydrophobicContact CD2-CD1 3.8Å; F394-F441 HydrophobicContact CD2-CE1 4.19Å; F394-F441 HydrophobicContact CG-CD1 4.28Å
395	R	95.9	Very high	96.8	Very high	93 Å²	93	68.3 Å²	68.3	35%	0.351	33%	0.33	S	S	.	.	H	α-helix	trans	-50.7	-53.2	173.5	-173.4	-173.7	-174.9	176.3	0.8	112.1	G393 E397 F398 Q399 E439 A442	G393-R395 PolarHBondContact O-N 2.77Å; R395-E397 PolarHBondContact O-N 2.85Å; R395-F398 PolarHBondContact O-N 3.33Å; R395-Q399 WeakPolarHBondContact O-CB 3.47Å; R395-Q399 VanDerWaalsContact O-CG 3.26Å; R395-Q399 WeakPolarHBondContact O-CG 3.36Å; R395-Q399 PolarHBondContact O-N 3.23Å; R395-E439 IonicContact CZ-OE1 3.62Å; R395-E439 IonicContact CZ-OE2 3.4Å; R395-E439 VanDerWaalsContact NE-CD 3.3Å; R395-E439 IonicContact NE-OE1 3.8Å; R395-E439 PolarHBondContact NE-OE1 2.76Å; R395-E439 IonicContact NE-OE2 3.67Å; R395-E439 PolarHBondContact NE-OE2 3.34Å; R395-E439 VanDerWaalsContact NE-OE2 3.07Å; R395-E439 IonicContact NH1-OE2 3.59Å; R395-E439 IonicContact NH2-OE1 3.8Å; R395-E439 PolarHBondContact NH2-OE1 3.49Å; R395-E439 IonicContact NH2-OE2 2.62Å; R395-E439 PolarHBondContact NH2-OE2 3.4Å; R395-A442 HydrophobicContact CB-CB 4.26Å; R395-A442 HydrophobicContact CG-CB 4.22Å
396	K	96.9	Very high	96.8	Very high	144 Å²	144	66.9 Å²	66.9	63%	0.626	32%	0.323	S	S	*	.	H	α-helix	trans	-64.8	-39.2	-179	-74.8	175	179.8	-174.6	0	113.2	G392 G393 F394 R400	G392-K396 WeakPolarHBondContact O-CB 3.49Å; G392-K396 WeakPolarHBondContact O-CD 3.16Å; G392-K396 WeakPolarHBondContact O-CG 3.44Å; G392-K396 PolarHBondContact O-N 3.15Å; G392-K396 VanDerWaalsContact O-N 3.13Å; G393-K396 PolarHBondContact O-N 2.91Å; F394-K396 PolarHBondContact O-N 2.83Å; K396-R400 VanDerWaalsContact O-CB 3.32Å; K396-R400 WeakPolarHBondContact O-CB 3.42Å; K396-R400 PolarHBondContact O-N 3.4Å
397	E	97.6	Very high	96.8	Very high	97 Å²	97	69 Å²	69	45%	0.453	34%	0.335	S	S	.	.	H	α-helix	trans	-64.8	-45.8	178.2	-75.6	-62.2	151.8	0	0	111.9	G393 F394 R395 R400 L401	G393-E397 WeakPolarHBondContact O-CG 3.41Å; G393-E397 PolarHBondContact O-N 3.02Å; F394-E397 PolarHBondContact O-N 3.04Å; R395-E397 PolarHBondContact O-N 2.85Å; E397-R400 PolarHBondContact O-N 3Å; E397-R400 IonicContact OE1-CZ 3.79Å; E397-R400 IonicContact OE1-NH2 3.5Å; E397-R400 PolarHBondContact OE1-NH2 2.85Å; E397-R400 IonicContact OE2-CZ 2.77Å; E397-R400 IonicContact OE2-NE 3.34Å; E397-R400 IonicContact OE2-NH2 3.86Å; E397-R400 PolarHBondContact OE2-NH2 2.55Å; E397-L401 PolarHBondContact O-N 3.12Å
398	F	98	Very high	96.8	Very high	52 Å²	52	71.2 Å²	71.2	23%	0.228	35%	0.348	C	S	.	.	H	α-helix	trans	-69	-39	176.9	-76.8	-60.9	0	0	0	112.9	F394 R395 R400 L401 G402 Y434 I437 F441	F394-F398 HydrophobicContact CB-CD2 4.46Å; F394-F398 HydrophobicContact CB-CE2 4.49Å; F394-F398 WeakPolarHBondContact O-CD2 3.11Å; F394-F398 PolarHBondContact O-N 2.85Å; R395-F398 PolarHBondContact O-N 3.33Å; F398-R400 PolarHBondContact O-N 3.28Å; F398-L401 PolarHBondContact O-N 3.48Å; F398-G402 PolarHBondContact O-N 2.92Å; F398-Y434 WeakPolarHBondContact CB-O 3.17Å; F398-Y434 AromaticContact CD1-CD1 3.75Å; F398-Y434 HydrophobicContact CD1-CD1 3.75Å; F398-Y434 HydrophobicContact CD1-CE1 4.32Å; F398-Y434 HydrophobicContact CE1-CD1 4.16Å; F398-Y434 HydrophobicContact CE1-CE1 4.28Å; F398-I437 HydrophobicContact CD1-CG2 4.16Å; F398-I437 HydrophobicContact CD2-CG2 4.21Å; F398-I437 HydrophobicContact CE1-CG2 4.19Å; F398-I437 HydrophobicContact CE2-CG2 4.27Å; F398-I437 HydrophobicContact CG-CG2 4.17Å; F398-I437 HydrophobicContact CZ-CG2 4.25Å; F398-F441 AromaticContact CD2-CD2 3.67Å; F398-F441 HydrophobicContact CD2-CD2 3.67Å; F398-F441 AromaticContact CD2-CE2 3.97Å; F398-F441 HydrophobicContact CD2-CE2 3.97Å; F398-F441 HydrophobicContact CD2-CG 4.44Å; F398-F441 AromaticContact CE2-CD2 3.37Å; F398-F441 HydrophobicContact CE2-CD2 3.37Å; F398-F441 AromaticContact CE2-CE2 3.2Å; F398-F441 HydrophobicContact CE2-CE2 3.2Å; F398-F441 HydrophobicContact CE2-CG 4.23Å; F398-F441 AromaticContact CE2-CZ 3.92Å; F398-F441 HydrophobicContact CE2-CZ 3.92Å; F398-F441 HydrophobicContact CZ-CD2 4.29Å; F398-F441 AromaticContact CZ-CE2 3.72Å; F398-F441 HydrophobicContact CZ-CE2 3.72Å; F398-F441 HydrophobicContact CZ-CZ 4.36Å
399	Q	96.1	Very high	96.8	Very high	55 Å²	55	64.8 Å²	64.8	26%	0.257	32%	0.324	S	S	.	.	H	α-helix	trans	-59.9	-43.2	170.6	-75	172.5	-15.1	0	0	111.8	R395 L401 G402 N403 E435 E439	R395-Q399 WeakPolarHBondContact O-CB 3.47Å; R395-Q399 VanDerWaalsContact O-CG 3.26Å; R395-Q399 WeakPolarHBondContact O-CG 3.36Å; R395-Q399 PolarHBondContact O-N 3.23Å; Q399-L401 PolarHBondContact O-N 3.08Å; Q399-G402 PolarHBondContact O-N 2.84Å; Q399-N403 PolarHBondContact O-N 2.65Å; Q399-N403 PolarHBondContact O-ND2 3.09Å; Q399-E435 HydrophobicContact CG-CG 4.49Å; Q399-E439 PolarHBondContact NE2-OE1 3.22Å
400	R	98.1	Very high	96.8	Very high	162 Å²	162	65.2 Å²	65.2	61%	0.611	33%	0.328	S	S	*	.	H	α-helix	trans	-62.1	-42.6	177.3	-178.3	173.2	67.7	179.4	-0.3	112	K396 E397 F398 A404	K396-R400 VanDerWaalsContact O-CB 3.32Å; K396-R400 WeakPolarHBondContact O-CB 3.42Å; K396-R400 PolarHBondContact O-N 3.4Å; E397-R400 PolarHBondContact O-N 3Å; E397-R400 IonicContact OE1-CZ 3.79Å; E397-R400 IonicContact OE1-NH2 3.5Å; E397-R400 PolarHBondContact OE1-NH2 2.85Å; E397-R400 IonicContact OE2-CZ 2.77Å; E397-R400 IonicContact OE2-NE 3.34Å; E397-R400 IonicContact OE2-NH2 3.86Å; E397-R400 PolarHBondContact OE2-NH2 2.55Å; F398-R400 PolarHBondContact O-N 3.28Å; R400-A404 PolarHBondContact O-N 3.27Å; R400-A404 VanDerWaalsContact O-N 3.11Å
401	L	98.2	Very high	96.8	Very high	69 Å²	69	67.6 Å²	67.6	36%	0.361	35%	0.348	S	S	.	.	H	α-helix	trans	-63	-43.7	174.4	179.3	59.6	0	0	0	111.4	E397 F398 Q399 A404 F405 Y434	E397-L401 PolarHBondContact O-N 3.12Å; F398-L401 PolarHBondContact O-N 3.48Å; Q399-L401 PolarHBondContact O-N 3.08Å; L401-A404 WeakPolarHBondContact O-CB 3.22Å; L401-A404 PolarHBondContact O-N 2.97Å; L401-F405 HydrophobicContact CD1-CD2 4.18Å; L401-F405 HydrophobicContact CD1-CE2 3.57Å; L401-F405 HydrophobicContact CD1-CZ 4.19Å; L401-F405 HydrophobicContact CD2-CE2 4.35Å; L401-F405 HydrophobicContact CG-CD2 4.19Å; L401-F405 HydrophobicContact CG-CE2 3.73Å; L401-F405 VanDerWaalsContact O-CD2 3.28Å; L401-F405 WeakPolarHBondContact O-CD2 3.45Å; L401-F405 PolarHBondContact O-N 2.91Å; L401-Y434 HydrophobicContact CD2-CD1 3.79Å; L401-Y434 HydrophobicContact CD2-CD2 4.08Å; L401-Y434 HydrophobicContact CD2-CE1 3.8Å; L401-Y434 HydrophobicContact CD2-CE2 4.1Å; L401-Y434 HydrophobicContact CD2-CG 3.92Å; L401-Y434 HydrophobicContact CG-CD2 4.22Å; L401-Y434 HydrophobicContact CG-CG 4.2Å
402	G	98.1	Very high	96.9	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-59.4	-47.3	177.2	0	0	0	0	0	113.3	F398 Q399 A404 F405 Q406 G431	F398-G402 PolarHBondContact O-N 2.92Å; Q399-G402 PolarHBondContact O-N 2.84Å; G402-A404 VanDerWaalsContact C-N 3.31Å; G402-A404 PolarHBondContact O-N 2.83Å; G402-F405 PolarHBondContact O-N 3.45Å; G402-Q406 WeakPolarHBondContact O-CG 3.17Å; G402-Q406 PolarHBondContact O-N 3.05Å; G402-Q406 VanDerWaalsContact O-N 3.1Å; G402-G431 WeakPolarHBondContact CA-O 3.39Å; G402-G431 VanDerWaalsContact O-CA 3.22Å; G402-G431 WeakPolarHBondContact O-CA 3.31Å
403	N	98	Very high	96.9	Very high	73 Å²	73	72.1 Å²	72.1	39%	0.39	36%	0.36	S	S	.	.	H	α-helix	trans	-60.7	-37.8	175.3	-81.9	-89.6	0	0	0	112.4	Q399 F405 Q406 N407 E435	Q399-N403 PolarHBondContact O-N 2.65Å; Q399-N403 PolarHBondContact O-ND2 3.09Å; N403-F405 PolarHBondContact O-N 3.37Å; N403-Q406 PolarHBondContact O-N 3.24Å; N403-N407 PolarHBondContact O-N 3.07Å; N403-N407 PolarHBondContact O-ND2 3.25Å; N403-N407 PolarHBondContact O-OD1 3.03Å; N403-E435 PolarHBondContact ND2-OE1 3.19Å
404	A	98.6	Very high	96.9	Very high	49 Å²	49	77.4 Å²	77.4	41%	0.405	38%	0.379	S	S	.	.	H	α-helix	trans	-62.5	-42.6	176.9	0	0	0	0	0	112.3	R400 L401 G402 N407 V408	R400-A404 PolarHBondContact O-N 3.27Å; R400-A404 VanDerWaalsContact O-N 3.11Å; L401-A404 WeakPolarHBondContact O-CB 3.22Å; L401-A404 PolarHBondContact O-N 2.97Å; G402-A404 VanDerWaalsContact C-N 3.31Å; G402-A404 PolarHBondContact O-N 2.83Å; A404-N407 PolarHBondContact O-N 2.95Å; A404-V408 WeakPolarHBondContact O-CG2 3.29Å; A404-V408 PolarHBondContact O-N 3.48Å; A404-V408 VanDerWaalsContact O-N 3.16Å
405	F	98.4	Very high	96.9	Very high	62 Å²	62	78.2 Å²	78.2	27%	0.272	39%	0.387	S	S	.	.	H	α-helix	trans	-63.9	-41.5	173.6	-73.3	-63.8	0	0	0	112.4	L401 G402 N403 N407 V408 S409 I427 T430 Y434	L401-F405 HydrophobicContact CD1-CD2 4.18Å; L401-F405 HydrophobicContact CD1-CE2 3.57Å; L401-F405 HydrophobicContact CD1-CZ 4.19Å; L401-F405 HydrophobicContact CD2-CE2 4.35Å; L401-F405 HydrophobicContact CG-CD2 4.19Å; L401-F405 HydrophobicContact CG-CE2 3.73Å; L401-F405 VanDerWaalsContact O-CD2 3.28Å; L401-F405 WeakPolarHBondContact O-CD2 3.45Å; L401-F405 PolarHBondContact O-N 2.91Å; G402-F405 PolarHBondContact O-N 3.45Å; N403-F405 PolarHBondContact O-N 3.37Å; F405-N407 VanDerWaalsContact C-N 3.32Å; F405-N407 PolarHBondContact O-N 2.83Å; F405-V408 PolarHBondContact O-N 3.25Å; F405-S409 PolarHBondContact O-N 2.96Å; F405-I427 HydrophobicContact CB-CG2 4.34Å; F405-I427 HydrophobicContact CD1-CG2 4.42Å; F405-I427 WeakPolarHBondContact O-CG2 3.47Å; F405-T430 HydrophobicContact CD1-CG2 4.3Å; F405-T430 HydrophobicContact CD2-CG2 3.88Å; F405-T430 HydrophobicContact CE1-CG2 4.3Å; F405-T430 HydrophobicContact CE2-CG2 3.87Å; F405-T430 HydrophobicContact CG-CG2 4.1Å; F405-T430 HydrophobicContact CZ-CG2 4.09Å; F405-Y434 AromaticContact CD2-CD2 3.9Å; F405-Y434 HydrophobicContact CD2-CD2 3.9Å; F405-Y434 HydrophobicContact CD2-CE2 4.32Å; F405-Y434 AromaticContact CE2-CD2 3.58Å; F405-Y434 HydrophobicContact CE2-CD2 3.58Å; F405-Y434 AromaticContact CE2-CE2 3.57Å; F405-Y434 HydrophobicContact CE2-CE2 3.57Å; F405-Y434 HydrophobicContact CZ-CE2 4.31Å
406	Q	97.1	Very high	96.5	Very high	35 Å²	35	78.3 Å²	78.3	16%	0.164	40%	0.4	C	S	.	.	H	α-helix	trans	-61.3	-40.6	176.4	-66.7	-176.7	46.6	0	0	111.9	G402 N403 V408 S409 Q410 E435	G402-Q406 WeakPolarHBondContact O-CG 3.17Å; G402-Q406 PolarHBondContact O-N 3.05Å; G402-Q406 VanDerWaalsContact O-N 3.1Å; N403-Q406 PolarHBondContact O-N 3.24Å; Q406-V408 VanDerWaalsContact C-N 3.35Å; Q406-V408 PolarHBondContact O-N 3.23Å; Q406-S409 PolarHBondContact O-N 3.45Å; Q406-Q410 VanDerWaalsContact O-CG 3.3Å; Q406-Q410 WeakPolarHBondContact O-CG 3.4Å; Q406-Q410 PolarHBondContact O-N 2.87Å; Q406-E435 PolarHBondContact NE2-OE1 3.43Å; Q406-E435 PolarHBondContact NE2-OE2 3.44Å
407	N	98	Very high	96.3	Very high	92 Å²	92	76.7 Å²	76.7	49%	0.492	40%	0.404	S	S	.	.	H	α-helix	trans	-63.7	-36.8	175.8	-66.9	-16.7	0	0	0	112.7	N403 A404 F405 Q410 A411	N403-N407 PolarHBondContact O-N 3.07Å; N403-N407 PolarHBondContact O-ND2 3.25Å; N403-N407 PolarHBondContact O-OD1 3.03Å; A404-N407 PolarHBondContact O-N 2.95Å; F405-N407 VanDerWaalsContact C-N 3.32Å; F405-N407 PolarHBondContact O-N 2.83Å; N407-Q410 PolarHBondContact O-N 3.05Å; N407-A411 WeakPolarHBondContact O-CB 3.12Å; N407-A411 PolarHBondContact O-N 2.73Å
408	V	97.8	Very high	95.9	Very high	64 Å²	64	79.6 Å²	79.6	39%	0.388	42%	0.417	S	S	.	.	H	α-helix	trans	-66.1	-46.2	174.3	172.6	0	0	0	0	111	A404 F405 Q406 Q410 A411 F412 I427	A404-V408 WeakPolarHBondContact O-CG2 3.29Å; A404-V408 PolarHBondContact O-N 3.48Å; A404-V408 VanDerWaalsContact O-N 3.16Å; F405-V408 PolarHBondContact O-N 3.25Å; Q406-V408 VanDerWaalsContact C-N 3.35Å; Q406-V408 PolarHBondContact O-N 3.23Å; V408-Q410 VanDerWaalsContact C-N 3.32Å; V408-Q410 PolarHBondContact O-N 2.94Å; V408-A411 PolarHBondContact O-N 3.21Å; V408-F412 HydrophobicContact CG1-CD1 4.41Å; V408-F412 HydrophobicContact CG1-CE1 3.98Å; V408-F412 HydrophobicContact CG1-CE2 4.2Å; V408-F412 HydrophobicContact CG1-CZ 3.87Å; V408-F412 PolarHBondContact O-N 3.46Å; V408-I427 HydrophobicContact CB-CG2 4.42Å; V408-I427 HydrophobicContact CG1-CG2 4.37Å
409	S	96.6	Very high	95.6	Very high	3 Å²	3	78.8 Å²	78.8	2%	0.021	42%	0.417	C	S	.	.	H	α-helix	trans	-57.8	-43.7	174.4	173.9	0	0	0	0	111.8	F405 Q406 A411 F412 M413 N424	F405-S409 PolarHBondContact O-N 2.96Å; Q406-S409 PolarHBondContact O-N 3.45Å; S409-A411 PolarHBondContact O-N 3.26Å; S409-F412 PolarHBondContact O-N 2.94Å; S409-M413 PolarHBondContact O-N 3.4Å; S409-N424 PolarHBondContact OG-O 3.46Å
410	Q	95.9	Very high	95.4	Very high	103 Å²	103	78.3 Å²	78.3	48%	0.481	42%	0.42	S	S	.	.	H	α-helix	trans	-60.9	-43.8	174.7	-72.7	171.4	22.9	0	0	112.6	Q406 N407 V408 F412 M413	Q406-Q410 VanDerWaalsContact O-CG 3.3Å; Q406-Q410 WeakPolarHBondContact O-CG 3.4Å; Q406-Q410 PolarHBondContact O-N 2.87Å; N407-Q410 PolarHBondContact O-N 3.05Å; V408-Q410 VanDerWaalsContact C-N 3.32Å; V408-Q410 PolarHBondContact O-N 2.94Å; Q410-F412 VanDerWaalsContact C-N 3.33Å; Q410-F412 PolarHBondContact O-N 2.82Å; Q410-M413 HydrophobicContact CG-CE 4.27Å; Q410-M413 PolarHBondContact O-N 3.01Å
411	A	97.3	Very high	95	Very high	55 Å²	55	76.3 Å²	76.3	46%	0.455	42%	0.422	S	S	.	.	H	α-helix	trans	-62.5	-38.8	177.9	0	0	0	0	0	112.4	N407 V408 S409 M413 L414	N407-A411 WeakPolarHBondContact O-CB 3.12Å; N407-A411 PolarHBondContact O-N 2.73Å; V408-A411 PolarHBondContact O-N 3.21Å; S409-A411 PolarHBondContact O-N 3.26Å; A411-M413 PolarHBondContact O-N 3.2Å; A411-L414 WeakPolarHBondContact O-CB 3.32Å; A411-L414 PolarHBondContact O-N 3.43Å
412	F	95.8	Very high	94.8	Very high	102 Å²	102	74.7 Å²	74.7	45%	0.447	42%	0.422	S	S	.	.	H	α-helix	trans	-70.5	-17.7	178.1	-71.6	7.2	0	0	0	113.4	V408 S409 Q410 L414 L423 N424 I427	V408-F412 HydrophobicContact CG1-CD1 4.41Å; V408-F412 HydrophobicContact CG1-CE1 3.98Å; V408-F412 HydrophobicContact CG1-CE2 4.2Å; V408-F412 HydrophobicContact CG1-CZ 3.87Å; V408-F412 PolarHBondContact O-N 3.46Å; S409-F412 PolarHBondContact O-N 2.94Å; Q410-F412 VanDerWaalsContact C-N 3.33Å; Q410-F412 PolarHBondContact O-N 2.82Å; F412-L414 VanDerWaalsContact C-N 3.34Å; F412-L423 HydrophobicContact CE2-CD2 4.48Å; F412-N424 WeakPolarHBondContact CB-OD1 3.24Å; F412-N424 WeakPolarHBondContact CD2-OD1 3.44Å; F412-N424 PolarHBondContact O-ND2 2.83Å; F412-I427 HydrophobicContact CD2-CD1 4.07Å; F412-I427 HydrophobicContact CE2-CD1 3.84Å
413	M	93.3	Very high	94.7	Very high	99 Å²	99	77.5 Å²	77.5	49%	0.488	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-5.7	173.3	-68.5	-174.4	-68.6	0	0	113.6	S409 Q410 A411 D415 N424	S409-M413 PolarHBondContact O-N 3.4Å; Q410-M413 HydrophobicContact CG-CE 4.27Å; Q410-M413 PolarHBondContact O-N 3.01Å; A411-M413 PolarHBondContact O-N 3.2Å; M413-D415 VanDerWaalsContact C-N 3.31Å; M413-D415 PolarHBondContact O-N 3.16Å; M413-N424 HydrophobicContact CG-CB 4.3Å; M413-N424 WeakPolarHBondContact CG-ND2 3.49Å
414	L	95.2	Very high	94.6	Very high	148 Å²	148	74.3 Å²	74.3	78%	0.775	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-12	-178	-61.9	178.6	0	0	0	114.2	A411 F412	A411-L414 WeakPolarHBondContact O-CB 3.32Å; A411-L414 PolarHBondContact O-N 3.43Å; F412-L414 VanDerWaalsContact C-N 3.34Å
415	D	93.7	Very high	94.4	Very high	85 Å²	85	75.9 Å²	75.9	46%	0.455	42%	0.424	S	S	.	.			trans	-126.1	77.2	178.2	-171.4	11.6	0	0	0	111.1	M413 P417 H418 C419	M413-D415 VanDerWaalsContact C-N 3.31Å; M413-D415 PolarHBondContact O-N 3.16Å; D415-P417 VanDerWaalsContact C-CD 3.46Å; D415-H418 CarbonylContact O-C 3.47Å; D415-H418 PolarHBondContact O-N 3.44Å; D415-H418 IonicContact OD1-CD2 2.98Å; D415-H418 IonicContact OD2-CD2 2.9Å; D415-H418 PolarHBondContact OD2-CD2 2.97Å; D415-H418 IonicContact OD2-CG 3.33Å; D415-C419 PolarHBondContact O-N 3.3Å
416	P	88.9	Confident	94.4	Very high	96 Å²	96	73 Å²	73	62%	0.623	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-56	-37.7	-169.5	-26.1	34.6	0	0	0	116.4	H418 C419	P416-H418 PolarHBondContact O-N 2.97Å; P416-C419 WeakPolarHBondContact O-CB 3.44Å; P416-C419 PolarHBondContact O-N 2.87Å
417	P	91.4	Very high	94.4	Very high	109 Å²	109	72.2 Å²	72.2	71%	0.708	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-63	-18.9	176.7	-24.2	35.6	0	0	0	115	D415	D415-P417 VanDerWaalsContact C-CD 3.46Å
418	H	89.8	Confident	94.4	Very high	158 Å²	158	69 Å²	69	73%	0.731	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-116.9	9.9	-179.6	-63	-59	0	0	0	112.8	D415 P416	D415-H418 CarbonylContact O-C 3.47Å; D415-H418 PolarHBondContact O-N 3.44Å; D415-H418 IonicContact OD1-CD2 2.98Å; D415-H418 IonicContact OD2-CD2 2.9Å; D415-H418 PolarHBondContact OD2-CD2 2.97Å; D415-H418 IonicContact OD2-CG 3.33Å; P416-H418 PolarHBondContact O-N 2.97Å
419	C	90.7	Very high	94.4	Very high	35 Å²	35	69.3 Å²	69.3	24%	0.236	39%	0.39	C	S	.	.			trans	-77.1	141.3	178.5	-179.2	0	0	0	0	112	D415 P416 D421 N424	D415-C419 PolarHBondContact O-N 3.3Å; P416-C419 WeakPolarHBondContact O-CB 3.44Å; P416-C419 PolarHBondContact O-N 2.87Å; C419-D421 PolarHBondContact SG-OD1 2.85Å; C419-N424 PolarHBondContact SG-ND2 3.12Å
420	S	93.2	Very high	94.5	Very high	46 Å²	46	69.8 Å²	69.8	32%	0.322	39%	0.393	S	S	.	.			trans	-112.4	105.9	161.9	172	0	0	0	0	109	G422 L423 N424	S420-G422 PolarHBondContact O-N 2.7Å; S420-L423 PolarHBondContact O-N 2.87Å; S420-L423 PolarHBondContact OG-N 2.63Å; S420-N424 WeakPolarHBondContact O-CB 3.44Å; S420-N424 VanDerWaalsContact O-CG 3.32Å; S420-N424 PolarHBondContact O-N 2.92Å
421	D	90	Very high	94.6	Very high	120 Å²	120	64.9 Å²	64.9	64%	0.642	37%	0.37	S	S	*	.	H	α-helix	trans	-61.3	-35.1	-177.1	-65.2	-19.2	0	0	0	112.1	C419 T425	C419-D421 PolarHBondContact SG-OD1 2.85Å; D421-T425 VanDerWaalsContact O-CB 3.23Å; D421-T425 WeakPolarHBondContact O-CB 3.36Å; D421-T425 PolarHBondContact O-N 3.29Å; D421-T425 PolarHBondContact O-OG1 2.81Å
422	G	94.1	Very high	94.7	Very high	35 Å²	35	69.5 Å²	69.5	36%	0.361	38%	0.376	S	S	.	.	H	α-helix	trans	-62.6	-51.2	175	0	0	0	0	0	111.8	S420 N424 T425 A426	S420-G422 PolarHBondContact O-N 2.7Å; G422-N424 PolarHBondContact O-N 3.03Å; G422-T425 PolarHBondContact O-N 3.13Å; G422-A426 PolarHBondContact O-N 2.85Å
423	L	95.6	Very high	94.8	Very high	59 Å²	59	64.9 Å²	64.9	31%	0.309	36%	0.356	S	S	.	.	H	α-helix	trans	-63.4	-42.8	179.2	178.8	62.7	0	0	0	111.5	F412 S420 T425 A426 I427 Y555 L558	F412-L423 HydrophobicContact CE2-CD2 4.48Å; S420-L423 PolarHBondContact O-N 2.87Å; S420-L423 PolarHBondContact OG-N 2.63Å; L423-T425 VanDerWaalsContact C-N 3.32Å; L423-T425 PolarHBondContact O-N 2.88Å; L423-A426 PolarHBondContact O-N 2.93Å; L423-I427 HydrophobicContact CD1-CD1 3.89Å; L423-I427 HydrophobicContact CD1-CG1 4.18Å; L423-I427 HydrophobicContact CG-CD1 3.85Å; L423-I427 HydrophobicContact CG-CG1 4.49Å; L423-I427 VanDerWaalsContact O-CG1 3.3Å; L423-I427 WeakPolarHBondContact O-CG1 3.45Å; L423-I427 PolarHBondContact O-N 2.97Å; L423-Y555 HydrophobicContact CD1-CD1 4.3Å; L423-Y555 HydrophobicContact CD1-CE1 4.07Å; L423-L558 HydrophobicContact CB-CD1 4.19Å; L423-L558 HydrophobicContact CD1-CD1 3.77Å
424	N	94.9	Very high	95	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.027	34%	0.343	C	S	.	.	H	α-helix	trans	-64.9	-38.2	178.6	-71.1	-7	0	0	0	111.7	S409 F412 M413 C419 S420 G422 S428	S409-N424 PolarHBondContact OG-O 3.46Å; F412-N424 WeakPolarHBondContact CB-OD1 3.24Å; F412-N424 WeakPolarHBondContact CD2-OD1 3.44Å; F412-N424 PolarHBondContact O-ND2 2.83Å; M413-N424 HydrophobicContact CG-CB 4.3Å; M413-N424 WeakPolarHBondContact CG-ND2 3.49Å; C419-N424 PolarHBondContact SG-ND2 3.12Å; S420-N424 WeakPolarHBondContact O-CB 3.44Å; S420-N424 VanDerWaalsContact O-CG 3.32Å; S420-N424 PolarHBondContact O-N 2.92Å; G422-N424 PolarHBondContact O-N 3.03Å; N424-S428 VanDerWaalsContact O-CB 3.31Å; N424-S428 WeakPolarHBondContact O-CB 3.4Å; N424-S428 PolarHBondContact O-N 3.12Å
425	T	95.5	Very high	95.2	Very high	83 Å²	83	58.2 Å²	58.2	51%	0.509	32%	0.317	S	S	.	.	H	α-helix	trans	-64.8	-44.8	173.5	-59.9	0	0	0	0	111.5	D421 G422 L423 S428 H429 M554	D421-T425 VanDerWaalsContact O-CB 3.23Å; D421-T425 WeakPolarHBondContact O-CB 3.36Å; D421-T425 PolarHBondContact O-N 3.29Å; D421-T425 PolarHBondContact O-OG1 2.81Å; G422-T425 PolarHBondContact O-N 3.13Å; L423-T425 VanDerWaalsContact C-N 3.32Å; L423-T425 PolarHBondContact O-N 2.88Å; T425-S428 PolarHBondContact O-N 3Å; T425-H429 WeakPolarHBondContact O-CB 3.45Å; T425-H429 PolarHBondContact O-N 3.4Å; T425-M554 HydrophobicContact CG2-CE 3.98Å
426	A	97.7	Very high	95.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.6	-45.7	177.2	0	0	0	0	0	112.1	G422 L423 S428 H429 T430 M554 Y555 L558	G422-A426 PolarHBondContact O-N 2.85Å; L423-A426 PolarHBondContact O-N 2.93Å; A426-S428 PolarHBondContact O-N 2.91Å; A426-H429 PolarHBondContact O-N 3.27Å; A426-T430 PolarHBondContact O-N 3.02Å; A426-T430 PolarHBondContact O-OG1 3.28Å; A426-T430 VanDerWaalsContact O-OG1 3.11Å; A426-M554 HydrophobicContact CB-CB 3.85Å; A426-Y555 HydrophobicContact CB-CD1 4.04Å; A426-Y555 HydrophobicContact CB-CD2 4.25Å; A426-Y555 HydrophobicContact CB-CE1 3.73Å; A426-Y555 HydrophobicContact CB-CE2 3.96Å; A426-Y555 HydrophobicContact CB-CG 4.3Å; A426-Y555 PolarHBondContact O-OH 3.04Å; A426-L558 HydrophobicContact CB-CD1 4.11Å
427	I	97.7	Very high	95.8	Very high	19 Å²	19	53 Å²	53	10%	0.097	28%	0.284	C	S	.	.	H	α-helix	trans	-63.7	-41.8	175.9	-64.2	169.3	0	0	0	111.3	F405 V408 F412 L423 H429 T430 G431 Y555	F405-I427 HydrophobicContact CB-CG2 4.34Å; F405-I427 HydrophobicContact CD1-CG2 4.42Å; F405-I427 WeakPolarHBondContact O-CG2 3.47Å; V408-I427 HydrophobicContact CB-CG2 4.42Å; V408-I427 HydrophobicContact CG1-CG2 4.37Å; F412-I427 HydrophobicContact CD2-CD1 4.07Å; F412-I427 HydrophobicContact CE2-CD1 3.84Å; L423-I427 HydrophobicContact CD1-CD1 3.89Å; L423-I427 HydrophobicContact CD1-CG1 4.18Å; L423-I427 HydrophobicContact CG-CD1 3.85Å; L423-I427 HydrophobicContact CG-CG1 4.49Å; L423-I427 VanDerWaalsContact O-CG1 3.3Å; L423-I427 WeakPolarHBondContact O-CG1 3.45Å; L423-I427 PolarHBondContact O-N 2.97Å; I427-H429 VanDerWaalsContact C-N 3.33Å; I427-H429 PolarHBondContact O-N 2.87Å; I427-T430 PolarHBondContact O-N 2.8Å; I427-G431 PolarHBondContact O-N 3.39Å; I427-G431 VanDerWaalsContact O-N 3.11Å; I427-Y555 WeakPolarHBondContact CA-OH 3.07Å; I427-Y555 HydrophobicContact CG1-CE1 4.23Å; I427-Y555 PolarHBondContact N-OH 3.17Å
428	S	97.5	Very high	96.1	Very high	25 Å²	25	47.8 Å²	47.8	18%	0.175	25%	0.25	C	S	.	.	H	α-helix	trans	-61.6	-42.3	175.5	-165.1	0	0	0	0	111.7	N424 T425 A426 G431 R432	N424-S428 VanDerWaalsContact O-CB 3.31Å; N424-S428 WeakPolarHBondContact O-CB 3.4Å; N424-S428 PolarHBondContact O-N 3.12Å; T425-S428 PolarHBondContact O-N 3Å; A426-S428 PolarHBondContact O-N 2.91Å; S428-G431 PolarHBondContact O-N 2.97Å; S428-R432 PolarHBondContact O-N 3.11Å
429	H	97.8	Very high	96.5	Very high	70 Å²	70	43 Å²	43	32%	0.324	23%	0.228	S	C	.	.	H	α-helix	trans	-64.7	-44.4	176.9	-167.6	105.2	0	0	0	111.8	T425 A426 I427 G431 R432 T433 M554	T425-H429 WeakPolarHBondContact O-CB 3.45Å; T425-H429 PolarHBondContact O-N 3.4Å; A426-H429 PolarHBondContact O-N 3.27Å; I427-H429 VanDerWaalsContact C-N 3.33Å; I427-H429 PolarHBondContact O-N 2.87Å; H429-G431 PolarHBondContact O-N 2.93Å; H429-R432 CarbonylContact O-C 3.58Å; H429-R432 PolarHBondContact O-N 3.02Å; H429-T433 PolarHBondContact CD2-OG1 3.44Å; H429-T433 PolarHBondContact O-N 3.03Å; H429-T433 PolarHBondContact O-OG1 3.31Å; H429-M554 HydrophobicContact CB-CE 3.86Å; H429-M554 HydrophobicContact CB-SD 3.41Å; H429-M554 WeakPolarHBondContact CB-SD 3.44Å; H429-M554 PolarHBondContact CD2-SD 3.28Å; H429-M554 PolarHBondContact ND1-SD 3.18Å
430	T	98.5	Very high	96.9	Very high	13 Å²	13	42.4 Å²	42.4	8%	0.08	22%	0.222	C	C	.	.	H	α-helix	trans	-52.8	-39.9	172.3	-62.5	0	0	0	0	111.8	F405 A426 I427 T433 Y434 T551 Y555	F405-T430 HydrophobicContact CD1-CG2 4.3Å; F405-T430 HydrophobicContact CD2-CG2 3.88Å; F405-T430 HydrophobicContact CE1-CG2 4.3Å; F405-T430 HydrophobicContact CE2-CG2 3.87Å; F405-T430 HydrophobicContact CG-CG2 4.1Å; F405-T430 HydrophobicContact CZ-CG2 4.09Å; A426-T430 PolarHBondContact O-N 3.02Å; A426-T430 PolarHBondContact O-OG1 3.28Å; A426-T430 VanDerWaalsContact O-OG1 3.11Å; I427-T430 PolarHBondContact O-N 2.8Å; T430-T433 PolarHBondContact O-N 3Å; T430-Y434 HydrophobicContact CG2-CD2 3.96Å; T430-Y434 HydrophobicContact CG2-CE2 3.85Å; T430-Y434 WeakPolarHBondContact O-CD2 3.19Å; T430-Y434 PolarHBondContact O-N 2.95Å; T430-Y434 VanDerWaalsContact O-N 3.12Å; T430-T551 HydrophobicContact CG2-CG2 4.3Å; T430-T551 WeakPolarHBondContact OG1-CG2 3.33Å; T430-Y555 WeakPolarHBondContact OG1-CE2 3.34Å; T430-Y555 PolarHBondContact OG1-OH 3.2Å
431	G	98.3	Very high	97.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.1	-49.8	172.8	0	0	0	0	0	113.7	G402 I427 S428 H429 Y434 E435	G402-G431 WeakPolarHBondContact CA-O 3.39Å; G402-G431 VanDerWaalsContact O-CA 3.22Å; G402-G431 WeakPolarHBondContact O-CA 3.31Å; I427-G431 PolarHBondContact O-N 3.39Å; I427-G431 VanDerWaalsContact O-N 3.11Å; S428-G431 PolarHBondContact O-N 2.97Å; H429-G431 PolarHBondContact O-N 2.93Å; G431-Y434 PolarHBondContact O-N 3.49Å; G431-E435 PolarHBondContact O-N 3.2Å; G431-E435 VanDerWaalsContact O-N 3.17Å
432	R	98.3	Very high	97.4	Very high	153 Å²	153	35.8 Å²	35.8	58%	0.577	18%	0.184	S	C	*	.	H	α-helix	trans	-66.3	-35.4	178	-63.3	176.5	-173.6	170.7	4.1	112.6	S428 H429 E435 N436	S428-R432 PolarHBondContact O-N 3.11Å; H429-R432 CarbonylContact O-C 3.58Å; H429-R432 PolarHBondContact O-N 3.02Å; R432-E435 PolarHBondContact O-N 3.4Å; R432-N436 WeakPolarHBondContact O-CB 3.27Å; R432-N436 PolarHBondContact O-N 3.21Å
433	T	98.6	Very high	97.5	Very high	5 Å²	5	39 Å²	39	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-45.2	175.4	-65.2	0	0	0	0	111	H429 T430 N436 I437 Q547 L548 T551	H429-T433 PolarHBondContact CD2-OG1 3.44Å; H429-T433 PolarHBondContact O-N 3.03Å; H429-T433 PolarHBondContact O-OG1 3.31Å; T430-T433 PolarHBondContact O-N 3Å; T433-N436 PolarHBondContact O-N 3.42Å; T433-I437 HydrophobicContact CG2-CD1 3.94Å; T433-I437 WeakPolarHBondContact O-CG1 3.38Å; T433-I437 PolarHBondContact O-N 2.84Å; T433-Q547 HydrophobicContact CG2-CB 4.04Å; T433-L548 HydrophobicContact CG2-CD2 4.43Å; T433-T551 WeakPolarHBondContact CB-OG1 3.28Å; T433-T551 WeakPolarHBondContact CG2-OG1 3.5Å; T433-T551 PolarHBondContact OG1-OG1 3.47Å
434	Y	98.4	Very high	97.6	Very high	56 Å²	56	36.3 Å²	36.3	22%	0.22	18%	0.175	C	C	.	.	H	α-helix	trans	-68	-36.9	177.2	-81.5	-65.3	0	0	0	112.6	F398 L401 F405 T430 G431 N436 I437 G438 L548	F398-Y434 WeakPolarHBondContact CB-O 3.17Å; F398-Y434 AromaticContact CD1-CD1 3.75Å; F398-Y434 HydrophobicContact CD1-CD1 3.75Å; F398-Y434 HydrophobicContact CD1-CE1 4.32Å; F398-Y434 HydrophobicContact CE1-CD1 4.16Å; F398-Y434 HydrophobicContact CE1-CE1 4.28Å; L401-Y434 HydrophobicContact CD2-CD1 3.79Å; L401-Y434 HydrophobicContact CD2-CD2 4.08Å; L401-Y434 HydrophobicContact CD2-CE1 3.8Å; L401-Y434 HydrophobicContact CD2-CE2 4.1Å; L401-Y434 HydrophobicContact CD2-CG 3.92Å; L401-Y434 HydrophobicContact CG-CD2 4.22Å; L401-Y434 HydrophobicContact CG-CG 4.2Å; F405-Y434 AromaticContact CD2-CD2 3.9Å; F405-Y434 HydrophobicContact CD2-CD2 3.9Å; F405-Y434 HydrophobicContact CD2-CE2 4.32Å; F405-Y434 AromaticContact CE2-CD2 3.58Å; F405-Y434 HydrophobicContact CE2-CD2 3.58Å; F405-Y434 AromaticContact CE2-CE2 3.57Å; F405-Y434 HydrophobicContact CE2-CE2 3.57Å; F405-Y434 HydrophobicContact CZ-CE2 4.31Å; T430-Y434 HydrophobicContact CG2-CD2 3.96Å; T430-Y434 HydrophobicContact CG2-CE2 3.85Å; T430-Y434 WeakPolarHBondContact O-CD2 3.19Å; T430-Y434 PolarHBondContact O-N 2.95Å; T430-Y434 VanDerWaalsContact O-N 3.12Å; G431-Y434 PolarHBondContact O-N 3.49Å; Y434-N436 PolarHBondContact O-N 3.49Å; Y434-I437 HydrophobicContact CD1-CD1 4.22Å; Y434-I437 HydrophobicContact CE1-CD1 4.46Å; Y434-I437 PolarHBondContact O-N 3.41Å; Y434-G438 PolarHBondContact O-N 3.18Å; Y434-L548 HydrophobicContact CE1-CD2 4.11Å
435	E	97.8	Very high	97.8	Very high	51 Å²	51	36 Å²	36	24%	0.238	17%	0.174	C	C	.	.	H	α-helix	trans	-58.5	-47.1	170.3	-74.1	171.5	171.3	0	0	112	Q399 N403 Q406 G431 R432 I437 G438 E439	Q399-E435 HydrophobicContact CG-CG 4.49Å; N403-E435 PolarHBondContact ND2-OE1 3.19Å; Q406-E435 PolarHBondContact NE2-OE1 3.43Å; Q406-E435 PolarHBondContact NE2-OE2 3.44Å; G431-E435 PolarHBondContact O-N 3.2Å; G431-E435 VanDerWaalsContact O-N 3.17Å; R432-E435 PolarHBondContact O-N 3.4Å; E435-I437 PolarHBondContact O-N 2.93Å; E435-G438 WeakPolarHBondContact O-CA 3.25Å; E435-G438 PolarHBondContact O-N 3.47Å; E435-E439 PolarHBondContact O-N 3.32Å; E435-E439 VanDerWaalsContact O-N 3.09Å
436	N	98	Very high	97.7	Very high	68 Å²	68	37.2 Å²	37.2	36%	0.364	17%	0.172	S	C	.	.	H	α-helix	trans	-60.6	-43.3	176.3	-175.4	35.1	0	0	0	112.3	R432 T433 Y434 G438 E439 M440 Q547	R432-N436 WeakPolarHBondContact O-CB 3.27Å; R432-N436 PolarHBondContact O-N 3.21Å; T433-N436 PolarHBondContact O-N 3.42Å; Y434-N436 PolarHBondContact O-N 3.49Å; N436-G438 VanDerWaalsContact C-N 3.25Å; N436-G438 PolarHBondContact O-N 2.89Å; N436-E439 PolarHBondContact O-N 3.02Å; N436-E439 VanDerWaalsContact O-N 3.14Å; N436-M440 WeakPolarHBondContact O-CG 3.34Å; N436-M440 PolarHBondContact O-N 3.22Å; N436-Q547 PolarHBondContact ND2-OE1 3Å; N436-Q547 VanDerWaalsContact ND2-OE1 3.09Å
437	I	98.4	Very high	97.7	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-58.9	-39.5	173.4	-71	166.4	0	0	0	110.6	F398 T433 Y434 E435 E439 M440 F441 V544 Q547 L548	F398-I437 HydrophobicContact CD1-CG2 4.16Å; F398-I437 HydrophobicContact CD2-CG2 4.21Å; F398-I437 HydrophobicContact CE1-CG2 4.19Å; F398-I437 HydrophobicContact CE2-CG2 4.27Å; F398-I437 HydrophobicContact CG-CG2 4.17Å; F398-I437 HydrophobicContact CZ-CG2 4.25Å; T433-I437 HydrophobicContact CG2-CD1 3.94Å; T433-I437 WeakPolarHBondContact O-CG1 3.38Å; T433-I437 PolarHBondContact O-N 2.84Å; Y434-I437 HydrophobicContact CD1-CD1 4.22Å; Y434-I437 HydrophobicContact CE1-CD1 4.46Å; Y434-I437 PolarHBondContact O-N 3.41Å; E435-I437 PolarHBondContact O-N 2.93Å; I437-E439 PolarHBondContact O-N 2.86Å; I437-M440 WeakPolarHBondContact O-CB 2.92Å; I437-M440 PolarHBondContact O-N 2.85Å; I437-F441 HydrophobicContact CG2-CD2 3.84Å; I437-F441 HydrophobicContact CG2-CE2 3.81Å; I437-F441 WeakPolarHBondContact O-CD2 3.38Å; I437-F441 PolarHBondContact O-N 3.39Å; I437-V544 HydrophobicContact CD1-CG1 4.17Å; I437-V544 HydrophobicContact CG1-CG1 4.33Å; I437-V544 HydrophobicContact CG2-CG1 4.23Å; I437-Q547 HydrophobicContact CD1-CB 4.34Å; I437-Q547 HydrophobicContact CG1-CB 4.31Å; I437-L548 HydrophobicContact CD1-CD2 3.68Å; I437-L548 HydrophobicContact CD1-CG 4.02Å
438	G	97.9	Very high	97.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-42.7	173.8	0	0	0	0	0	113.5	Y434 E435 N436 F441 A442	Y434-G438 PolarHBondContact O-N 3.18Å; E435-G438 WeakPolarHBondContact O-CA 3.25Å; E435-G438 PolarHBondContact O-N 3.47Å; N436-G438 VanDerWaalsContact C-N 3.25Å; N436-G438 PolarHBondContact O-N 2.89Å; G438-F441 PolarHBondContact O-N 3.34Å; G438-A442 PolarHBondContact O-N 3.03Å
439	E	97.9	Very high	97.7	Very high	58 Å²	58	40.3 Å²	40.3	27%	0.271	18%	0.18	S	C	.	.	H	α-helix	trans	-67.1	-42.2	173.7	-60.6	-54.2	144.1	0	0	112	R395 Q399 E435 N436 I437 F441 A442 E443	R395-E439 IonicContact CZ-OE1 3.62Å; R395-E439 IonicContact CZ-OE2 3.4Å; R395-E439 VanDerWaalsContact NE-CD 3.3Å; R395-E439 IonicContact NE-OE1 3.8Å; R395-E439 PolarHBondContact NE-OE1 2.76Å; R395-E439 IonicContact NE-OE2 3.67Å; R395-E439 PolarHBondContact NE-OE2 3.34Å; R395-E439 VanDerWaalsContact NE-OE2 3.07Å; R395-E439 IonicContact NH1-OE2 3.59Å; R395-E439 IonicContact NH2-OE1 3.8Å; R395-E439 PolarHBondContact NH2-OE1 3.49Å; R395-E439 IonicContact NH2-OE2 2.62Å; R395-E439 PolarHBondContact NH2-OE2 3.4Å; Q399-E439 PolarHBondContact NE2-OE1 3.22Å; E435-E439 PolarHBondContact O-N 3.32Å; E435-E439 VanDerWaalsContact O-N 3.09Å; N436-E439 PolarHBondContact O-N 3.02Å; N436-E439 VanDerWaalsContact O-N 3.14Å; I437-E439 PolarHBondContact O-N 2.86Å; E439-F441 VanDerWaalsContact C-N 3.28Å; E439-F441 PolarHBondContact O-N 3.42Å; E439-A442 WeakPolarHBondContact O-CA 3.32Å; E439-A442 WeakPolarHBondContact O-CB 3.37Å; E439-A442 PolarHBondContact O-N 3.46Å; E439-E443 PolarHBondContact O-N 2.94Å
440	M	98	Very high	97.7	Very high	22 Å²	22	39 Å²	39	11%	0.108	17%	0.173	C	C	.	.	H	α-helix	trans	-57.1	-40.8	174.5	-67.6	170.8	59	0	0	111.8	N436 I437 A442 E443 Q444 F540 R543 V544 Q547	N436-M440 WeakPolarHBondContact O-CG 3.34Å; N436-M440 PolarHBondContact O-N 3.22Å; I437-M440 WeakPolarHBondContact O-CB 2.92Å; I437-M440 PolarHBondContact O-N 2.85Å; M440-A442 VanDerWaalsContact C-N 3.34Å; M440-E443 PolarHBondContact O-N 3.34Å; M440-Q444 WeakPolarHBondContact O-CB 3.25Å; M440-Q444 PolarHBondContact O-N 2.96Å; M440-F540 HydrophobicContact CB-CE2 4.08Å; M440-R543 HydrophobicContact CE-CB 3.67Å; M440-V544 HydrophobicContact CE-CG2 3.75Å; M440-Q547 HydrophobicContact SD-CG 3.95Å
441	F	97.6	Very high	97.6	Very high	18 Å²	18	42.8 Å²	42.8	8%	0.079	19%	0.19	C	C	.	.	H	α-helix	trans	-63.4	-37.4	172.7	-91	-79.6	0	0	0	112.4	H390 F394 F398 I437 G438 E439 P445 F540 Y541	H390-F441 WeakPolarHBondContact CB-O 3.2Å; H390-F441 AromaticContact CD2-CD1 3.71Å; H390-F441 PolarHBondContact CD2-O 2.98Å; H390-F441 VanDerWaalsContact CD2-O 3.28Å; H390-F441 AromaticContact NE2-CD1 3.86Å; F394-F441 HydrophobicContact CB-CB 4.11Å; F394-F441 HydrophobicContact CB-CD1 4.08Å; F394-F441 HydrophobicContact CB-CG 4.07Å; F394-F441 AromaticContact CD2-CD1 3.8Å; F394-F441 HydrophobicContact CD2-CD1 3.8Å; F394-F441 HydrophobicContact CD2-CE1 4.19Å; F394-F441 HydrophobicContact CG-CD1 4.28Å; F398-F441 AromaticContact CD2-CD2 3.67Å; F398-F441 HydrophobicContact CD2-CD2 3.67Å; F398-F441 AromaticContact CD2-CE2 3.97Å; F398-F441 HydrophobicContact CD2-CE2 3.97Å; F398-F441 HydrophobicContact CD2-CG 4.44Å; F398-F441 AromaticContact CE2-CD2 3.37Å; F398-F441 HydrophobicContact CE2-CD2 3.37Å; F398-F441 AromaticContact CE2-CE2 3.2Å; F398-F441 HydrophobicContact CE2-CE2 3.2Å; F398-F441 HydrophobicContact CE2-CG 4.23Å; F398-F441 AromaticContact CE2-CZ 3.92Å; F398-F441 HydrophobicContact CE2-CZ 3.92Å; F398-F441 HydrophobicContact CZ-CD2 4.29Å; F398-F441 AromaticContact CZ-CE2 3.72Å; F398-F441 HydrophobicContact CZ-CE2 3.72Å; F398-F441 HydrophobicContact CZ-CZ 4.36Å; I437-F441 HydrophobicContact CG2-CD2 3.84Å; I437-F441 HydrophobicContact CG2-CE2 3.81Å; I437-F441 WeakPolarHBondContact O-CD2 3.38Å; I437-F441 PolarHBondContact O-N 3.39Å; G438-F441 PolarHBondContact O-N 3.34Å; E439-F441 VanDerWaalsContact C-N 3.28Å; E439-F441 PolarHBondContact O-N 3.42Å; F441-P445 WeakPolarHBondContact O-CD 3.46Å; F441-F540 HydrophobicContact CD1-CE1 4.02Å; F441-F540 AromaticContact CD1-CZ 3.65Å; F441-F540 HydrophobicContact CD1-CZ 3.65Å; F441-F540 AromaticContact CD2-CZ 3.81Å; F441-F540 HydrophobicContact CD2-CZ 3.81Å; F441-F540 AromaticContact CE1-CE1 3.58Å; F441-F540 HydrophobicContact CE1-CE1 3.58Å; F441-F540 AromaticContact CE1-CZ 3.64Å; F441-F540 HydrophobicContact CE1-CZ 3.64Å; F441-F540 HydrophobicContact CE2-CE1 4.17Å; F441-F540 AromaticContact CE2-CZ 3.79Å; F441-F540 HydrophobicContact CE2-CZ 3.79Å; F441-F540 AromaticContact CG-CZ 3.74Å; F441-F540 HydrophobicContact CG-CZ 3.74Å; F441-F540 AromaticContact CZ-CE1 3.65Å; F441-F540 HydrophobicContact CZ-CE1 3.65Å; F441-F540 AromaticContact CZ-CZ 3.71Å; F441-F540 HydrophobicContact CZ-CZ 3.71Å; F441-Y541 HydrophobicContact CZ-CE1 4.41Å
442	A	97.1	Very high	97.6	Very high	10 Å²	10	43.3 Å²	43.3	8%	0.083	19%	0.192	C	C	.	.	H	α-helix	trans	-69.4	-35.4	178.5	0	0	0	0	0	112.7	L391 R395 G438 E439 M440	L391-A442 VanDerWaalsContact CD2-O 3.3Å; L391-A442 WeakPolarHBondContact CD2-O 3.49Å; R395-A442 HydrophobicContact CB-CB 4.26Å; R395-A442 HydrophobicContact CG-CB 4.22Å; G438-A442 PolarHBondContact O-N 3.03Å; E439-A442 WeakPolarHBondContact O-CA 3.32Å; E439-A442 WeakPolarHBondContact O-CB 3.37Å; E439-A442 PolarHBondContact O-N 3.46Å; M440-A442 VanDerWaalsContact C-N 3.34Å
443	E	96.6	Very high	97.6	Very high	103 Å²	103	37 Å²	37	48%	0.481	17%	0.17	S	C	.	.	H	α-helix	trans	-78.3	-30.8	177.4	-66.4	-169.9	161.8	0	0	113.7	E439 M440 P445 K446 Y447	E439-E443 PolarHBondContact O-N 2.94Å; M440-E443 PolarHBondContact O-N 3.34Å; E443-P445 VanDerWaalsContact O-N 3.17Å; E443-K446 WeakPolarHBondContact O-CB 3.43Å; E443-K446 PolarHBondContact O-N 2.84Å; E443-K446 VanDerWaalsContact O-N 3.11Å; E443-Y447 HydrophobicContact CB-CE2 4.45Å
444	Q	97.6	Very high	97.5	Very high	1 Å²	1	37 Å²	37	1%	0.005	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-50.1	-43	-170.8	-175.7	57.1	25.8	0	0	115.5	M440 K446 Y447 D448 F540	M440-Q444 WeakPolarHBondContact O-CB 3.25Å; M440-Q444 PolarHBondContact O-N 2.96Å; Q444-K446 PolarHBondContact O-N 2.93Å; Q444-Y447 PolarHBondContact O-N 2.88Å; Q444-D448 PolarHBondContact NE2-OD2 3.43Å; Q444-F540 HydrophobicContact CB-CD2 3.88Å; Q444-F540 HydrophobicContact CB-CE2 3.84Å; Q444-F540 HydrophobicContact CB-CG 4.49Å; Q444-F540 HydrophobicContact CB-CZ 4.42Å; Q444-F540 HydrophobicContact CG-CB 4.25Å; Q444-F540 HydrophobicContact CG-CD1 4.31Å; Q444-F540 HydrophobicContact CG-CD2 3.65Å; Q444-F540 HydrophobicContact CG-CE2 4.05Å; Q444-F540 HydrophobicContact CG-CG 3.79Å
445	P	97.7	Very high	97.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-53.2	-25.5	-179.9	-30.8	37.4	0	0	0	115.8	V387 H390 F441 E443 Y447 L449 F450	V387-P445 HydrophobicContact CG2-CB 4.24Å; H390-P445 HydrophobicContact CB-CG 3.42Å; H390-P445 VanDerWaalsContact CB-CG 3.42Å; F441-P445 WeakPolarHBondContact O-CD 3.46Å; E443-P445 VanDerWaalsContact O-N 3.17Å; P445-Y447 PolarHBondContact O-N 2.94Å; P445-L449 HydrophobicContact CB-CB 4.33Å; P445-L449 HydrophobicContact CB-CD1 4.4Å; P445-L449 HydrophobicContact CG-CD1 4.39Å; P445-L449 PolarHBondContact O-N 3.14Å; P445-F450 HydrophobicContact CB-CD1 4.18Å; P445-F450 HydrophobicContact CB-CE1 3.87Å; P445-F450 HydrophobicContact CB-CZ 4.24Å; P445-F450 WeakPolarHBondContact O-CB 3.38Å; P445-F450 VanDerWaalsContact O-CG 3.28Å; P445-F450 WeakPolarHBondContact O-CG 3.48Å; P445-F450 PolarHBondContact O-N 3.37Å
446	K	95.2	Very high	97.5	Very high	107 Å²	107	33.3 Å²	33.3	47%	0.465	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-64.1	-29	177.4	-65.1	-177.8	175.6	-173.6	0	112.5	E443 Q444 F450 H451	E443-K446 WeakPolarHBondContact O-CB 3.43Å; E443-K446 PolarHBondContact O-N 2.84Å; E443-K446 VanDerWaalsContact O-N 3.11Å; Q444-K446 PolarHBondContact O-N 2.93Å; K446-F450 HydrophobicContact CB-CD2 4.41Å; K446-F450 HydrophobicContact CG-CD2 4.16Å; K446-F450 HydrophobicContact CG-CE2 3.8Å; K446-H451 PolarHBondContact O-NE2 2.67Å
447	Y	96.4	Very high	97.5	Very high	103 Å²	103	31.7 Å²	31.7	40%	0.404	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-18.9	-175.3	-56.1	-76.6	0	0	0	113.5	E443 Q444 P445 H451 Q536	E443-Y447 HydrophobicContact CB-CE2 4.45Å; Q444-Y447 PolarHBondContact O-N 2.88Å; P445-Y447 PolarHBondContact O-N 2.94Å; Y447-H451 PolarHBondContact O-CD2 2.91Å; Y447-Q536 WeakPolarHBondContact O-CG 3.25Å
448	D	97.4	Very high	97.5	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.8	-65.2	-172.5	54.9	17.5	0	0	0	115.1	Q444 F450 H451 M452 Y533 Q536 Q537	Q444-D448 PolarHBondContact NE2-OD2 3.43Å; D448-F450 VanDerWaalsContact C-N 3.32Å; D448-F450 PolarHBondContact O-N 3.27Å; D448-H451 PolarHBondContact O-N 3.43Å; D448-M452 PolarHBondContact O-N 3.34Å; D448-Y533 HydrophobicContact CB-CD2 3.91Å; D448-Y533 HydrophobicContact CB-CE2 4.41Å; D448-Q536 HydrophobicContact CB-CB 3.84Å; D448-Q536 HydrophobicContact CB-CG 4.46Å; D448-Q537 PolarHBondContact OD2-NE2 3.08Å
449	L	97.8	Very high	97.5	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-64.8	-35	-172.2	-70.4	170.1	0	0	0	112.3	A383 L386 V387 P445 M452 L453 Y533	A383-L449 HydrophobicContact CB-CD2 4.35Å; L386-L449 HydrophobicContact CB-CD1 4.28Å; L386-L449 HydrophobicContact CD2-CD1 4.1Å; L386-L449 HydrophobicContact CD2-CD2 4.11Å; L386-L449 HydrophobicContact CG-CD1 3.93Å; V387-L449 HydrophobicContact CG2-CB 3.69Å; V387-L449 HydrophobicContact CG2-CD1 3.96Å; V387-L449 HydrophobicContact CG2-CG 4.43Å; P445-L449 HydrophobicContact CB-CB 4.33Å; P445-L449 HydrophobicContact CB-CD1 4.4Å; P445-L449 HydrophobicContact CG-CD1 4.39Å; P445-L449 PolarHBondContact O-N 3.14Å; L449-M452 PolarHBondContact O-N 2.89Å; L449-L453 WeakPolarHBondContact O-CB 3.27Å; L449-L453 VanDerWaalsContact O-CG 3.24Å; L449-L453 WeakPolarHBondContact O-CG 3.37Å; L449-L453 PolarHBondContact O-N 2.81Å; L449-Y533 HydrophobicContact CD2-CE2 3.76Å; L449-Y533 HydrophobicContact CG-CE2 4.33Å
450	F	97.2	Very high	97.4	Very high	43 Å²	43	31.7 Å²	31.7	19%	0.189	15%	0.148	C	C	.	.	H	α-helix	trans	-64.5	-43	175.2	-71.6	-0.4	0	0	0	111.9	V387 P445 K446 D448 L453 D454	V387-F450 HydrophobicContact CG1-CE1 3.71Å; V387-F450 HydrophobicContact CG2-CD1 4.16Å; V387-F450 HydrophobicContact CG2-CE1 4.01Å; P445-F450 HydrophobicContact CB-CD1 4.18Å; P445-F450 HydrophobicContact CB-CE1 3.87Å; P445-F450 HydrophobicContact CB-CZ 4.24Å; P445-F450 WeakPolarHBondContact O-CB 3.38Å; P445-F450 VanDerWaalsContact O-CG 3.28Å; P445-F450 WeakPolarHBondContact O-CG 3.48Å; P445-F450 PolarHBondContact O-N 3.37Å; K446-F450 HydrophobicContact CB-CD2 4.41Å; K446-F450 HydrophobicContact CG-CD2 4.16Å; K446-F450 HydrophobicContact CG-CE2 3.8Å; D448-F450 VanDerWaalsContact C-N 3.32Å; D448-F450 PolarHBondContact O-N 3.27Å; F450-L453 PolarHBondContact O-N 2.86Å; F450-D454 WeakPolarHBondContact O-CB 3.46Å; F450-D454 PolarHBondContact O-N 3.05Å
451	H	96.8	Very high	97.4	Very high	93 Å²	93	30.9 Å²	30.9	43%	0.431	15%	0.145	S	C	.	.	H	α-helix	trans	-65.7	-39.4	176.4	-65.2	-80.3	0	0	0	112	K446 Y447 D448 D454 K455	K446-H451 PolarHBondContact O-NE2 2.67Å; Y447-H451 PolarHBondContact O-CD2 2.91Å; D448-H451 PolarHBondContact O-N 3.43Å; H451-D454 PolarHBondContact O-N 2.86Å; H451-K455 PolarHBondContact O-N 2.95Å
452	M	98.1	Very high	97.4	Very high	11 Å²	11	30 Å²	30	5%	0.054	14%	0.142	C	C	.	.	H	α-helix	trans	-60.8	-51.6	172.5	-178.2	-176.3	-71.8	0	0	111.2	A383 D448 L449 D454 K455 L456 M529 M530 Y533	A383-M452 HydrophobicContact CB-SD 4.37Å; D448-M452 PolarHBondContact O-N 3.34Å; L449-M452 PolarHBondContact O-N 2.89Å; M452-D454 VanDerWaalsContact C-N 3.27Å; M452-D454 PolarHBondContact O-N 2.99Å; M452-K455 PolarHBondContact O-N 2.84Å; M452-L456 HydrophobicContact CG-CD1 3.81Å; M452-L456 HydrophobicContact CG-CG 4.3Å; M452-L456 VanDerWaalsContact O-CG 3.26Å; M452-L456 WeakPolarHBondContact O-CG 3.41Å; M452-L456 PolarHBondContact O-N 2.98Å; M452-L456 HydrophobicContact SD-CD1 4.47Å; M452-M529 HydrophobicContact CB-CG 4.35Å; M452-M529 HydrophobicContact CB-SD 4.4Å; M452-M529 HydrophobicContact CG-CG 4.22Å; M452-M529 HydrophobicContact CG-SD 3.82Å; M452-M530 HydrophobicContact CE-SD 4.28Å; M452-Y533 HydrophobicContact CE-CD1 3.89Å; M452-Y533 HydrophobicContact CE-CD2 3.44Å; M452-Y533 VanDerWaalsContact CE-CD2 3.44Å; M452-Y533 HydrophobicContact CE-CE1 4.36Å; M452-Y533 HydrophobicContact CE-CE2 3.96Å; M452-Y533 HydrophobicContact CE-CG 3.42Å; M452-Y533 VanDerWaalsContact CE-CG 3.42Å
453	L	98.2	Very high	97.4	Very high	20 Å²	20	29.9 Å²	29.9	11%	0.105	14%	0.14	C	C	.	.	H	α-helix	trans	-60.7	-35	179.1	-74.3	168.4	0	0	0	112.8	T380 A383 S384 V387 L449 F450 S457	T380-L453 HydrophobicContact CG2-CD2 3.92Å; T380-L453 WeakPolarHBondContact O-CD2 3.48Å; A383-L453 HydrophobicContact CB-CD2 3.76Å; A383-L453 HydrophobicContact CB-CG 4.11Å; S384-L453 WeakPolarHBondContact OG-CD2 3.32Å; V387-L453 HydrophobicContact CG2-CD1 3.82Å; L449-L453 WeakPolarHBondContact O-CB 3.27Å; L449-L453 VanDerWaalsContact O-CG 3.24Å; L449-L453 WeakPolarHBondContact O-CG 3.37Å; L449-L453 PolarHBondContact O-N 2.81Å; F450-L453 PolarHBondContact O-N 2.86Å; L453-S457 VanDerWaalsContact O-CB 3.31Å; L453-S457 WeakPolarHBondContact O-CB 3.47Å; L453-S457 PolarHBondContact O-N 3.02Å
454	D	97.5	Very high	97.4	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.032	13%	0.131	C	C	.	.	H	α-helix	trans	-71.6	-40.7	177.3	-68	-27.1	0	0	0	111.8	R292 R293 L296 F450 H451 M452 S457 L458	R292-D454 IonicContact CZ-OD2 3.86Å; R292-D454 VanDerWaalsContact CZ-OD2 3.27Å; R292-D454 IonicContact NE-OD2 3.24Å; R292-D454 PolarHBondContact NE-OD2 3.09Å; R292-D454 IonicContact NH2-OD2 3.07Å; R292-D454 PolarHBondContact NH2-OD2 2.94Å; R293-D454 HydrophobicContact CG-CB 4.08Å; R293-D454 IonicContact CZ-OD1 3.03Å; R293-D454 VanDerWaalsContact CZ-OD1 3.32Å; R293-D454 IonicContact NE-OD1 3.94Å; R293-D454 PolarHBondContact NE-OD1 3.19Å; R293-D454 IonicContact NH2-OD1 2.77Å; R293-D454 PolarHBondContact NH2-OD1 2.86Å; L296-D454 VanDerWaalsContact CD1-C 3.49Å; L296-D454 HydrophobicContact CD1-CB 3.86Å; F450-D454 WeakPolarHBondContact O-CB 3.46Å; F450-D454 PolarHBondContact O-N 3.05Å; H451-D454 PolarHBondContact O-N 2.86Å; M452-D454 VanDerWaalsContact C-N 3.27Å; M452-D454 PolarHBondContact O-N 2.99Å; D454-S457 PolarHBondContact O-N 3.27Å; D454-L458 PolarHBondContact O-N 3.38Å
455	K	98	Very high	97.3	Very high	28 Å²	28	27.7 Å²	27.7	12%	0.122	14%	0.136	C	C	.	.	H	α-helix	trans	-65.7	-41.7	170.7	-77.9	-76.1	-169.9	-174.9	0	112.2	L296 D299 H451 M452 S457 L458 Y459 D525 M529	L296-K455 HydrophobicContact CD1-CD 4.15Å; L296-K455 HydrophobicContact CD1-CG 4.15Å; L296-K455 HydrophobicContact CD2-CD 3.7Å; L296-K455 HydrophobicContact CD2-CG 4.32Å; D299-K455 IonicContact OD2-NZ 2.67Å; H451-K455 PolarHBondContact O-N 2.95Å; M452-K455 PolarHBondContact O-N 2.84Å; K455-S457 VanDerWaalsContact C-N 3.31Å; K455-S457 PolarHBondContact O-N 3.13Å; K455-L458 WeakPolarHBondContact O-CB 3.17Å; K455-L458 PolarHBondContact O-N 3.1Å; K455-Y459 WeakPolarHBondContact O-CD2 3.38Å; K455-Y459 PolarHBondContact O-N 2.73Å; K455-D525 IonicContact NZ-OD1 3.83Å; K455-D525 PolarHBondContact NZ-OD1 2.68Å; K455-M529 HydrophobicContact CB-CG 4.4Å; K455-M529 HydrophobicContact CB-SD 3.82Å
456	L	98.3	Very high	97.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.1	-38.8	176.6	-66.6	170	0	0	0	111.7	V376 L379 T380 M452 L458 Y459 Q460 F526 M529	V376-L456 HydrophobicContact CG1-CB 4.18Å; V376-L456 HydrophobicContact CG1-CD2 4.04Å; V376-L456 HydrophobicContact CG2-CD2 4.47Å; L379-L456 HydrophobicContact CB-CD1 4.35Å; L379-L456 HydrophobicContact CD2-CD1 3.98Å; L379-L456 HydrophobicContact CD2-CD2 3.89Å; L379-L456 HydrophobicContact CG-CD1 3.79Å; L379-L456 HydrophobicContact CG-CD2 4.47Å; T380-L456 WeakPolarHBondContact OG1-CB 3.2Å; M452-L456 HydrophobicContact CG-CD1 3.81Å; M452-L456 HydrophobicContact CG-CG 4.3Å; M452-L456 VanDerWaalsContact O-CG 3.26Å; M452-L456 WeakPolarHBondContact O-CG 3.41Å; M452-L456 PolarHBondContact O-N 2.98Å; M452-L456 HydrophobicContact SD-CD1 4.47Å; L456-L458 VanDerWaalsContact C-N 3.33Å; L456-L458 PolarHBondContact O-N 3.46Å; L456-Y459 PolarHBondContact O-N 2.94Å; L456-Q460 WeakPolarHBondContact O-CG 3.44Å; L456-Q460 PolarHBondContact O-N 3.49Å; L456-F526 HydrophobicContact CD2-CE1 4.29Å; L456-F526 HydrophobicContact CD2-CZ 4.29Å; L456-M529 HydrophobicContact CD2-CE 4.28Å; L456-M529 HydrophobicContact CD2-SD 4.33Å; L456-M529 HydrophobicContact CG-SD 4.28Å
457	S	97.4	Very high	97.3	Very high	34 Å²	34	26.5 Å²	26.5	24%	0.238	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-34.8	175.5	-169.3	0	0	0	0	113.1	R293 L453 D454 K455 G461	R293-S457 PolarHBondContact NH1-OG 3.1Å; L453-S457 VanDerWaalsContact O-CB 3.31Å; L453-S457 WeakPolarHBondContact O-CB 3.47Å; L453-S457 PolarHBondContact O-N 3.02Å; D454-S457 PolarHBondContact O-N 3.27Å; K455-S457 VanDerWaalsContact C-N 3.31Å; K455-S457 PolarHBondContact O-N 3.13Å; S457-G461 PolarHBondContact O-N 3.43Å
458	L	97.9	Very high	97.1	Very high	12 Å²	12	25.7 Å²	25.7	6%	0.063	14%	0.142	C	C	.	.	H	α-helix	trans	-61.3	-48.3	171.9	174.6	68.2	0	0	0	110.5	P271 L296 D454 K455 L456 Q460 G461 L462	P271-L458 HydrophobicContact CB-CD1 3.67Å; L296-L458 HydrophobicContact CB-CD2 4.45Å; D454-L458 PolarHBondContact O-N 3.38Å; K455-L458 WeakPolarHBondContact O-CB 3.17Å; K455-L458 PolarHBondContact O-N 3.1Å; L456-L458 VanDerWaalsContact C-N 3.33Å; L456-L458 PolarHBondContact O-N 3.46Å; L458-Q460 VanDerWaalsContact C-N 3.35Å; L458-Q460 PolarHBondContact O-N 3.34Å; L458-G461 PolarHBondContact O-N 3.47Å; L458-G461 VanDerWaalsContact O-N 3.16Å; L458-L462 HydrophobicContact CD1-CD1 4.46Å; L458-L462 HydrophobicContact CG-CD1 4.14Å; L458-L462 WeakPolarHBondContact O-CG 3.31Å; L458-L462 PolarHBondContact O-N 2.98Å
459	Y	98.4	Very high	96.9	Very high	2 Å²	2	26 Å²	26	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-66.6	-32.3	-179.8	-85.2	-81.9	0	0	0	113.6	M372 K455 L456 G461 L462 L463 F518 R521 R522 D525 F526	M372-Y459 HydrophobicContact CE-CD1 3.62Å; M372-Y459 HydrophobicContact CE-CE1 4.24Å; M372-Y459 HydrophobicContact CE-CG 4.19Å; K455-Y459 WeakPolarHBondContact O-CD2 3.38Å; K455-Y459 PolarHBondContact O-N 2.73Å; L456-Y459 PolarHBondContact O-N 2.94Å; Y459-G461 VanDerWaalsContact C-N 3.34Å; Y459-L462 HydrophobicContact CD1-CD1 4.29Å; Y459-L462 HydrophobicContact CE1-CD1 4.17Å; Y459-L462 PolarHBondContact O-N 3.02Å; Y459-L463 VanDerWaalsContact O-CB 3.25Å; Y459-L463 WeakPolarHBondContact O-CB 3.39Å; Y459-L463 WeakPolarHBondContact O-CD1 3.4Å; Y459-L463 WeakPolarHBondContact O-CG 3.45Å; Y459-L463 PolarHBondContact O-N 2.77Å; Y459-F518 AromaticContact CD1-CE2 3.7Å; Y459-F518 HydrophobicContact CD1-CE2 3.7Å; Y459-F518 AromaticContact CD1-CZ 3.79Å; Y459-F518 HydrophobicContact CD1-CZ 3.79Å; Y459-F518 HydrophobicContact CE1-CD2 4.37Å; Y459-F518 AromaticContact CE1-CE2 3.64Å; Y459-F518 HydrophobicContact CE1-CE2 3.64Å; Y459-F518 AromaticContact CE1-CZ 3.88Å; Y459-F518 HydrophobicContact CE1-CZ 3.88Å; Y459-R521 VanDerWaalsContact OH-C 3.3Å; Y459-R521 PolarHBondContact OH-O 3.45Å; Y459-R522 HydrophobicContact CE1-CB 3.96Å; Y459-R522 HydrophobicContact CE1-CG 4.39Å; Y459-R522 WeakPolarHBondContact OH-CA 3.32Å; Y459-R522 PolarHBondContact OH-N 2.87Å; Y459-R522 VanDerWaalsContact OH-N 3.12Å; Y459-D525 HydrophobicContact CE2-CB 3.76Å; Y459-D525 PolarHBondContact OH-OD2 3.47Å; Y459-F526 HydrophobicContact CD1-CE2 4.07Å; Y459-F526 HydrophobicContact CD2-CD2 4.48Å; Y459-F526 AromaticContact CD2-CE2 3.68Å; Y459-F526 HydrophobicContact CD2-CE2 3.68Å; Y459-F526 HydrophobicContact CD2-CZ 4.45Å; Y459-F526 HydrophobicContact CE1-CE2 4.25Å; Y459-F526 HydrophobicContact CE2-CD2 4.27Å; Y459-F526 AromaticContact CE2-CE2 3.88Å; Y459-F526 HydrophobicContact CE2-CE2 3.88Å; Y459-F526 AromaticContact CG-CE2 3.8Å; Y459-F526 HydrophobicContact CG-CE2 3.8Å; Y459-F526 HydrophobicContact CG-CZ 4.4Å
460	Q	97.2	Very high	96.8	Very high	46 Å²	46	26.1 Å²	26.1	22%	0.215	14%	0.144	C	C	.	.	H	α-helix	trans	-61.1	-41.6	170.9	-71.8	175.2	-36	0	0	111.9	V376 L456 L458 A464	V376-Q460 HydrophobicContact CG1-CG 3.62Å; L456-Q460 WeakPolarHBondContact O-CG 3.44Å; L456-Q460 PolarHBondContact O-N 3.49Å; L458-Q460 VanDerWaalsContact C-N 3.35Å; L458-Q460 PolarHBondContact O-N 3.34Å; Q460-A464 WeakPolarHBondContact O-CB 3.42Å; Q460-A464 PolarHBondContact O-N 3.29Å
461	G	96.3	Very high	96.6	Very high	5 Å²	5	29.4 Å²	29.4	5%	0.052	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-49.7	174.7	0	0	0	0	0	112.5	H272 S457 L458 Y459 L463 A464 N465	H272-G461 PolarHBondContact CE1-O 3.04Å; H272-G461 WeakPolarHBondContact ND1-CA 3.26Å; H272-G461 PolarHBondContact NE2-O 3.45Å; S457-G461 PolarHBondContact O-N 3.43Å; L458-G461 PolarHBondContact O-N 3.47Å; L458-G461 VanDerWaalsContact O-N 3.16Å; Y459-G461 VanDerWaalsContact C-N 3.34Å; G461-L463 VanDerWaalsContact C-N 3.33Å; G461-L463 PolarHBondContact O-N 3.03Å; G461-A464 PolarHBondContact O-N 2.96Å; G461-N465 PolarHBondContact O-ND2 3.31Å
462	L	97.8	Very high	96.3	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-39.9	177.7	-64.8	172.2	0	0	0	112.6	S269 P271 L458 Y459 N465 F466 F518	S269-L462 WeakPolarHBondContact O-CD2 3.38Å; S269-L462 WeakPolarHBondContact OG-CA 3.49Å; S269-L462 PolarHBondContact OG-O 3.03Å; P271-L462 HydrophobicContact CB-CD2 4.09Å; L458-L462 HydrophobicContact CD1-CD1 4.46Å; L458-L462 HydrophobicContact CG-CD1 4.14Å; L458-L462 WeakPolarHBondContact O-CG 3.31Å; L458-L462 PolarHBondContact O-N 2.98Å; Y459-L462 HydrophobicContact CD1-CD1 4.29Å; Y459-L462 HydrophobicContact CE1-CD1 4.17Å; Y459-L462 PolarHBondContact O-N 3.02Å; L462-N465 PolarHBondContact O-N 3.11Å; L462-F466 VanDerWaalsContact O-CD2 3.27Å; L462-F466 WeakPolarHBondContact O-CD2 3.5Å; L462-F518 HydrophobicContact CB-CD2 4.39Å; L462-F518 HydrophobicContact CB-CE2 3.96Å; L462-F518 HydrophobicContact CD1-CE2 4.35Å
463	L	97.9	Very high	96	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-70.7	-31.4	178.3	-72.3	165.7	0	0	0	112.5	A369 M372 D373 V376 Y459 G461 N465 F466 P467 F518	A369-L463 HydrophobicContact CB-CD2 4.15Å; M372-L463 HydrophobicContact CB-CD1 4.25Å; M372-L463 HydrophobicContact CB-CD2 4.36Å; M372-L463 HydrophobicContact CE-CD1 4.28Å; M372-L463 HydrophobicContact CG-CD1 3.84Å; M372-L463 HydrophobicContact CG-CD2 4.46Å; M372-L463 HydrophobicContact SD-CD1 4.17Å; M372-L463 HydrophobicContact SD-CD2 4.22Å; D373-L463 HydrophobicContact CB-CB 4.32Å; D373-L463 HydrophobicContact CB-CD1 4.22Å; V376-L463 HydrophobicContact CG2-CD1 4.46Å; Y459-L463 VanDerWaalsContact O-CB 3.25Å; Y459-L463 WeakPolarHBondContact O-CB 3.39Å; Y459-L463 WeakPolarHBondContact O-CD1 3.4Å; Y459-L463 WeakPolarHBondContact O-CG 3.45Å; Y459-L463 PolarHBondContact O-N 2.77Å; G461-L463 VanDerWaalsContact C-N 3.33Å; G461-L463 PolarHBondContact O-N 3.03Å; L463-N465 PolarHBondContact O-N 2.75Å; L463-F466 PolarHBondContact O-N 3.07Å; L463-P467 VanDerWaalsContact O-CD 3.27Å; L463-P467 WeakPolarHBondContact O-CD 3.28Å; L463-F518 HydrophobicContact CD2-CE1 4.38Å; L463-F518 HydrophobicContact CD2-CE2 4.4Å; L463-F518 HydrophobicContact CD2-CZ 3.73Å; L463-F518 HydrophobicContact CG-CZ 4.15Å
464	A	96.4	Very high	95.8	Very high	36 Å²	36	28.2 Å²	28.2	30%	0.298	15%	0.154	S	C	.	.	H	α-helix	trans	-67.6	-17.8	177.4	0	0	0	0	0	114.2	Q460 G461	Q460-A464 WeakPolarHBondContact O-CB 3.42Å; Q460-A464 PolarHBondContact O-N 3.29Å; G461-A464 PolarHBondContact O-N 2.96Å
465	N	96.4	Very high	95.5	Very high	23 Å²	23	29.5 Å²	29.5	12%	0.123	17%	0.169	C	C	.	.	H	α-helix	trans	-81	-36.6	177.2	-60.4	-30.2	0	0	0	112.8	S269 V270 H272 G461 L462 L463 P467 D468 I469	S269-N465 WeakPolarHBondContact OG-CB 3.24Å; S269-N465 PolarHBondContact OG-ND2 2.97Å; V270-N465 PolarHBondContact N-ND2 2.85Å; V270-N465 PolarHBondContact O-ND2 3.35Å; H272-N465 PolarHBondContact NE2-OD1 3.3Å; G461-N465 PolarHBondContact O-ND2 3.31Å; L462-N465 PolarHBondContact O-N 3.11Å; L463-N465 PolarHBondContact O-N 2.75Å; N465-P467 VanDerWaalsContact C-CD 3.45Å; N465-D468 PolarHBondContact O-N 2.86Å; N465-I469 HydrophobicContact CB-CD1 4.07Å; N465-I469 WeakPolarHBondContact O-CG1 3.39Å; N465-I469 PolarHBondContact O-N 2.87Å
466	F	96.6	Very high	95.3	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-33.3	-171.9	-76.4	-66.1	0	0	0	116.1	F365 L462 L463 D468 I469 I470 E514 F518	F365-F466 HydrophobicContact CE1-CB 4.33Å; F365-F466 AromaticContact CE1-CD1 3.55Å; F365-F466 HydrophobicContact CE1-CD1 3.55Å; F365-F466 HydrophobicContact CE1-CD2 4.17Å; F365-F466 AromaticContact CE1-CE1 3.8Å; F365-F466 HydrophobicContact CE1-CE1 3.8Å; F365-F466 HydrophobicContact CE1-CE2 4.4Å; F365-F466 AromaticContact CE1-CG 3.75Å; F365-F466 HydrophobicContact CE1-CG 3.75Å; F365-F466 HydrophobicContact CE1-CZ 4.23Å; F365-F466 HydrophobicContact CZ-CD1 4.04Å; F365-F466 HydrophobicContact CZ-CD2 4.17Å; F365-F466 AromaticContact CZ-CE1 3.86Å; F365-F466 HydrophobicContact CZ-CE1 3.86Å; F365-F466 HydrophobicContact CZ-CE2 4.01Å; F365-F466 HydrophobicContact CZ-CG 4.2Å; F365-F466 AromaticContact CZ-CZ 3.85Å; F365-F466 HydrophobicContact CZ-CZ 3.85Å; L462-F466 VanDerWaalsContact O-CD2 3.27Å; L462-F466 WeakPolarHBondContact O-CD2 3.5Å; L463-F466 PolarHBondContact O-N 3.07Å; F466-D468 VanDerWaalsContact C-N 3.28Å; F466-D468 PolarHBondContact O-N 2.77Å; F466-I469 HydrophobicContact CD1-CD1 4.37Å; F466-I469 PolarHBondContact O-N 2.95Å; F466-I470 HydrophobicContact CB-CD1 4.12Å; F466-I470 VanDerWaalsContact O-CB 3.25Å; F466-I470 WeakPolarHBondContact O-CB 3.36Å; F466-I470 WeakPolarHBondContact O-CD1 3.46Å; F466-I470 WeakPolarHBondContact O-CG1 3.41Å; F466-I470 PolarHBondContact O-N 3.2Å; F466-E514 HydrophobicContact CE1-CG 4.13Å; F466-E514 HydrophobicContact CZ-CG 4.43Å; F466-F518 HydrophobicContact CE2-CB 4.38Å; F466-F518 HydrophobicContact CE2-CD1 4.4Å; F466-F518 AromaticContact CE2-CD2 3.64Å; F466-F518 HydrophobicContact CE2-CD2 3.64Å; F466-F518 AromaticContact CE2-CE2 3.96Å; F466-F518 HydrophobicContact CE2-CE2 3.96Å; F466-F518 AromaticContact CE2-CG 3.87Å; F466-F518 HydrophobicContact CE2-CG 3.87Å; F466-F518 HydrophobicContact CE2-CZ 4.48Å; F466-F518 HydrophobicContact CZ-CB 3.95Å; F466-F518 HydrophobicContact CZ-CD2 4.04Å; F466-F518 AromaticContact CZ-CG 3.94Å; F466-F518 HydrophobicContact CZ-CG 3.94Å
467	P	96.3	Very high	95.1	Very high	81 Å²	81	28.5 Å²	28.5	53%	0.526	17%	0.165	S	C	.	.	H	α-helix	trans	-55.5	-42	175.5	-28.6	36.1	0	0	0	113.4	L463 N465 H471	L463-P467 VanDerWaalsContact O-CD 3.27Å; L463-P467 WeakPolarHBondContact O-CD 3.28Å; N465-P467 VanDerWaalsContact C-CD 3.45Å; P467-H471 WeakPolarHBondContact O-CB 3.44Å; P467-H471 PolarHBondContact O-N 2.93Å; P467-H471 VanDerWaalsContact O-N 3.14Å
468	D	91.5	Very high	94.9	Very high	85 Å²	85	29.4 Å²	29.4	46%	0.455	18%	0.175	S	C	.	.	H	α-helix	trans	-76.1	-43.4	-178.8	-64.1	-38.4	0	0	0	110.3	R169 N465 F466 I470 H471 L472	R169-D468 IonicContact NH1-OD2 2.68Å; R169-D468 PolarHBondContact NH1-OD2 3.39Å; N465-D468 PolarHBondContact O-N 2.86Å; F466-D468 VanDerWaalsContact C-N 3.28Å; F466-D468 PolarHBondContact O-N 2.77Å; D468-I470 PolarHBondContact O-N 3.02Å; D468-H471 WeakPolarHBondContact O-CB 3.43Å; D468-H471 PolarHBondContact O-N 3.4Å; D468-H471 VanDerWaalsContact O-N 3.15Å; D468-L472 WeakPolarHBondContact O-CG 3.43Å; D468-L472 PolarHBondContact O-N 3.31Å; D468-L472 VanDerWaalsContact O-N 3.1Å
469	I	93.3	Very high	94.7	Very high	10 Å²	10	31 Å²	31	5%	0.051	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-44.4	175.6	-59.9	168.6	0	0	0	111.8	V267 N465 F466 H471 L472 Q473 L511	V267-I469 HydrophobicContact CB-CG2 4.49Å; N465-I469 HydrophobicContact CB-CD1 4.07Å; N465-I469 WeakPolarHBondContact O-CG1 3.39Å; N465-I469 PolarHBondContact O-N 2.87Å; F466-I469 HydrophobicContact CD1-CD1 4.37Å; F466-I469 PolarHBondContact O-N 2.95Å; I469-H471 VanDerWaalsContact C-N 3.31Å; I469-H471 PolarHBondContact O-N 3.42Å; I469-L472 WeakPolarHBondContact O-CB 3.29Å; I469-L472 PolarHBondContact O-N 3.3Å; I469-Q473 PolarHBondContact O-N 3.25Å; I469-L511 HydrophobicContact CG2-CD1 3.61Å
470	I	94.9	Very high	94.5	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.026	18%	0.183	C	C	.	.	H	α-helix	trans	-67.6	-32.8	178.1	-68.4	165.6	0	0	0	111	V362 F365 K366 F466 D468 Q473 K474	V362-I470 HydrophobicContact CG1-CG2 3.83Å; F365-I470 HydrophobicContact CD1-CD1 3.95Å; F365-I470 HydrophobicContact CE1-CD1 4.28Å; K366-I470 HydrophobicContact CB-CD1 3.98Å; K366-I470 HydrophobicContact CB-CG2 4.36Å; K366-I470 HydrophobicContact CD-CG2 4.25Å; K366-I470 HydrophobicContact CG-CD1 4.31Å; K366-I470 HydrophobicContact CG-CG2 4.37Å; F466-I470 HydrophobicContact CB-CD1 4.12Å; F466-I470 VanDerWaalsContact O-CB 3.25Å; F466-I470 WeakPolarHBondContact O-CB 3.36Å; F466-I470 WeakPolarHBondContact O-CD1 3.46Å; F466-I470 WeakPolarHBondContact O-CG1 3.41Å; F466-I470 PolarHBondContact O-N 3.2Å; D468-I470 PolarHBondContact O-N 3.02Å; I470-Q473 PolarHBondContact O-N 3.21Å; I470-K474 HydrophobicContact CG2-CD 4.39Å; I470-K474 PolarHBondContact O-N 3.44Å
471	H	93.4	Very high	94.4	Very high	113 Å²	113	34.8 Å²	34.8	52%	0.523	20%	0.198	S	C	.	.	H	α-helix	trans	-64.6	-40.2	174.6	-173.8	56.6	0	0	0	111.7	P467 D468 I469 K474 G475	P467-H471 WeakPolarHBondContact O-CB 3.44Å; P467-H471 PolarHBondContact O-N 2.93Å; P467-H471 VanDerWaalsContact O-N 3.14Å; D468-H471 WeakPolarHBondContact O-CB 3.43Å; D468-H471 PolarHBondContact O-N 3.4Å; D468-H471 VanDerWaalsContact O-N 3.15Å; I469-H471 VanDerWaalsContact C-N 3.31Å; I469-H471 PolarHBondContact O-N 3.42Å; H471-K474 PolarHBondContact O-N 3.39Å; H471-G475 PolarHBondContact O-N 2.78Å
472	L	90.5	Very high	94.3	Very high	43 Å²	43	38.1 Å²	38.1	23%	0.225	21%	0.212	C	C	.	.	H	α-helix	trans	-59	-48.5	174.7	-63.9	169.5	0	0	0	111.6	V178 D468 I469 K474 G475 A476	V178-L472 HydrophobicContact CB-CD2 4.22Å; V178-L472 HydrophobicContact CG2-CB 4.39Å; V178-L472 HydrophobicContact CG2-CD1 4.01Å; V178-L472 HydrophobicContact CG2-CD2 4.08Å; V178-L472 HydrophobicContact CG2-CG 4.39Å; D468-L472 WeakPolarHBondContact O-CG 3.43Å; D468-L472 PolarHBondContact O-N 3.31Å; D468-L472 VanDerWaalsContact O-N 3.1Å; I469-L472 WeakPolarHBondContact O-CB 3.29Å; I469-L472 PolarHBondContact O-N 3.3Å; L472-K474 PolarHBondContact O-N 3.18Å; L472-G475 PolarHBondContact O-N 3.42Å; L472-A476 PolarHBondContact O-N 3.31Å
473	Q	92.1	Very high	94.2	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-39.1	177.7	-177	62	28.2	0	0	112.5	V362 I469 I470 G475 A476 F477 V507 L511	V362-Q473 HydrophobicContact CG2-CG 4.36Å; I469-Q473 PolarHBondContact O-N 3.25Å; I470-Q473 PolarHBondContact O-N 3.21Å; Q473-G475 VanDerWaalsContact C-N 3.33Å; Q473-G475 PolarHBondContact O-N 3.12Å; Q473-A476 WeakPolarHBondContact O-CB 3.36Å; Q473-A476 PolarHBondContact O-N 3.21Å; Q473-F477 HydrophobicContact CG-CD2 4.13Å; Q473-F477 HydrophobicContact CG-CE2 3.59Å; Q473-F477 HydrophobicContact CG-CZ 3.88Å; Q473-F477 WeakPolarHBondContact O-CD2 3.34Å; Q473-F477 PolarHBondContact O-N 3.22Å; Q473-V507 VanDerWaalsContact OE1-C 3.28Å; Q473-L511 HydrophobicContact CB-CD2 3.59Å; Q473-L511 HydrophobicContact CG-CD2 3.87Å
474	K	93.6	Very high	94	Very high	54 Å²	54	39.9 Å²	39.9	24%	0.235	22%	0.22	C	C	.	.	H	α-helix	trans	-65.6	-34.9	174.9	-78.3	-176.6	171.1	-73.6	0	112.7	D363 I470 H471 L472 F477 A478	D363-K474 WeakPolarHBondContact OD1-CE 3.49Å; D363-K474 IonicContact OD1-NZ 3.89Å; D363-K474 PolarHBondContact OD1-NZ 3.08Å; D363-K474 IonicContact OD2-NZ 2.76Å; D363-K474 PolarHBondContact OD2-NZ 2.82Å; I470-K474 HydrophobicContact CG2-CD 4.39Å; I470-K474 PolarHBondContact O-N 3.44Å; H471-K474 PolarHBondContact O-N 3.39Å; L472-K474 PolarHBondContact O-N 3.18Å; K474-F477 PolarHBondContact O-N 3.15Å; K474-A478 PolarHBondContact O-N 3.04Å
475	G	92.4	Very high	94	Very high	33 Å²	33	44.1 Å²	44.1	34%	0.34	23%	0.229	S	C	.	.	H	α-helix	trans	-60	-46.5	168.9	0	0	0	0	0	111.8	H471 L472 Q473 F477 A478 K479	H471-G475 PolarHBondContact O-N 2.78Å; L472-G475 PolarHBondContact O-N 3.42Å; Q473-G475 VanDerWaalsContact C-N 3.33Å; Q473-G475 PolarHBondContact O-N 3.12Å; G475-F477 PolarHBondContact O-N 3.37Å; G475-A478 WeakPolarHBondContact O-CB 3.49Å; G475-A478 PolarHBondContact O-N 3.48Å; G475-K479 WeakPolarHBondContact O-CG 3.01Å; G475-K479 PolarHBondContact O-N 2.89Å
476	A	92.5	Very high	93.9	Very high	4 Å²	4	45.6 Å²	45.6	3%	0.033	24%	0.235	C	C	.	.	H	α-helix	trans	-60.4	-41.7	176.7	0	0	0	0	0	112.8	V182 L472 Q473 K479 V480 C504	V182-A476 HydrophobicContact CG2-CB 3.8Å; L472-A476 PolarHBondContact O-N 3.31Å; Q473-A476 WeakPolarHBondContact O-CB 3.36Å; Q473-A476 PolarHBondContact O-N 3.21Å; A476-K479 PolarHBondContact O-N 2.98Å; A476-V480 PolarHBondContact O-N 2.99Å; A476-V480 VanDerWaalsContact O-N 3.09Å; A476-C504 HydrophobicContact CB-CB 4.35Å
477	F	94.2	Very high	93.8	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-41.5	173.6	-67.4	-45.7	0	0	0	112.8	L355 V358 E359 Q473 K474 G475 K479 V480 K481	L355-F477 HydrophobicContact CB-CE1 4.47Å; L355-F477 HydrophobicContact CD2-CE1 4.22Å; V358-F477 HydrophobicContact CB-CZ 4.22Å; V358-F477 HydrophobicContact CG1-CZ 3.95Å; E359-F477 HydrophobicContact CB-CD2 4.04Å; E359-F477 HydrophobicContact CB-CE1 4.47Å; E359-F477 HydrophobicContact CB-CE2 3.67Å; E359-F477 HydrophobicContact CB-CZ 3.9Å; E359-F477 HydrophobicContact CG-CD2 3.81Å; E359-F477 HydrophobicContact CG-CE2 3.85Å; Q473-F477 HydrophobicContact CG-CD2 4.13Å; Q473-F477 HydrophobicContact CG-CE2 3.59Å; Q473-F477 HydrophobicContact CG-CZ 3.88Å; Q473-F477 WeakPolarHBondContact O-CD2 3.34Å; Q473-F477 PolarHBondContact O-N 3.22Å; K474-F477 PolarHBondContact O-N 3.15Å; G475-F477 PolarHBondContact O-N 3.37Å; F477-K479 VanDerWaalsContact C-N 3.29Å; F477-K479 PolarHBondContact O-N 3.37Å; F477-V480 PolarHBondContact O-N 2.98Å; F477-K481 WeakPolarHBondContact O-CG 3.14Å; F477-K481 PolarHBondContact O-N 3.14Å; F477-K481 VanDerWaalsContact O-N 3.11Å
478	A	94.3	Very high	93.7	Very high	53 Å²	53	48.1 Å²	48.1	44%	0.438	25%	0.246	S	C	.	.	H	α-helix	trans	-60.8	-40.3	175.4	0	0	0	0	0	111.4	K474 G475 K481 E482	K474-A478 PolarHBondContact O-N 3.04Å; G475-A478 WeakPolarHBondContact O-CB 3.49Å; G475-A478 PolarHBondContact O-N 3.48Å; A478-K481 PolarHBondContact O-N 2.79Å; A478-E482 WeakPolarHBondContact O-CB 3.38Å; A478-E482 PolarHBondContact O-N 2.9Å
479	K	93.7	Very high	93.9	Very high	44 Å²	44	48 Å²	48	19%	0.191	24%	0.243	C	C	.	.	H	α-helix	trans	-65.9	-37.3	176.8	-68.5	-73.2	148.2	-177.8	0	113.3	E179 V182 L183 G475 A476 F477 E482 S483 V500	E179-K479 HydrophobicContact CG-CD 4.45Å; E179-K479 WeakPolarHBondContact OE1-CE 3.49Å; E179-K479 IonicContact OE1-NZ 2.8Å; E179-K479 PolarHBondContact OE1-NZ 3.26Å; E179-K479 VanDerWaalsContact OE1-NZ 3.14Å; V182-K479 HydrophobicContact CG1-CB 3.94Å; L183-K479 HydrophobicContact CD2-CD 4.12Å; G475-K479 WeakPolarHBondContact O-CG 3.01Å; G475-K479 PolarHBondContact O-N 2.89Å; A476-K479 PolarHBondContact O-N 2.98Å; F477-K479 VanDerWaalsContact C-N 3.29Å; F477-K479 PolarHBondContact O-N 3.37Å; K479-E482 WeakPolarHBondContact CD-OE2 3.34Å; K479-E482 VanDerWaalsContact CE-OE2 3.28Å; K479-E482 WeakPolarHBondContact CE-OE2 3.44Å; K479-E482 IonicContact NZ-OE2 3.21Å; K479-E482 PolarHBondContact NZ-OE2 3.39Å; K479-E482 PolarHBondContact O-N 2.71Å; K479-S483 WeakPolarHBondContact O-CB 3.27Å; K479-S483 PolarHBondContact O-N 3.16Å; K479-V500 HydrophobicContact CB-CG1 4.42Å
480	V	94.4	Very high	93.9	Very high	9 Å²	9	50.9 Å²	50.9	6%	0.055	27%	0.274	C	S	.	.	H	α-helix	trans	-64	-43.1	172.3	177.2	0	0	0	0	111.4	L355 A476 F477 Q484 V500 R501 C504	L355-V480 HydrophobicContact CD1-CG1 3.83Å; L355-V480 HydrophobicContact CD1-CG2 4.5Å; A476-V480 PolarHBondContact O-N 2.99Å; A476-V480 VanDerWaalsContact O-N 3.09Å; F477-V480 PolarHBondContact O-N 2.98Å; V480-Q484 WeakPolarHBondContact O-CB 3.19Å; V480-Q484 PolarHBondContact O-N 3.35Å; V480-V500 HydrophobicContact CG2-CG1 4.14Å; V480-R501 HydrophobicContact CG1-CB 4.4Å; V480-R501 HydrophobicContact CG1-CG 4.35Å; V480-C504 HydrophobicContact CG2-CB 3.37Å
481	K	94.4	Very high	93.8	Very high	120 Å²	120	57.7 Å²	57.7	52%	0.522	30%	0.304	S	S	.	.	H	α-helix	trans	-65.9	-40.4	178.2	-67.9	168.9	-176.4	174.4	0	111.7	E359 F477 A478 R485	E359-K481 IonicContact OE1-NZ 2.67Å; E359-K481 PolarHBondContact OE1-NZ 2.73Å; E359-K481 IonicContact OE2-NZ 3.58Å; E359-K481 PolarHBondContact OE2-NZ 3.33Å; F477-K481 WeakPolarHBondContact O-CG 3.14Å; F477-K481 PolarHBondContact O-N 3.14Å; F477-K481 VanDerWaalsContact O-N 3.11Å; A478-K481 PolarHBondContact O-N 2.79Å; K481-R485 PolarHBondContact O-N 3.33Å
482	E	94.8	Very high	93.9	Very high	74 Å²	74	53.7 Å²	53.7	35%	0.346	29%	0.286	S	S	.	.	H	α-helix	trans	-65	-48.4	175.1	-179.9	171.9	-140.2	0	0	111.8	A478 K479 R485 M486	A478-E482 WeakPolarHBondContact O-CB 3.38Å; A478-E482 PolarHBondContact O-N 2.9Å; K479-E482 WeakPolarHBondContact CD-OE2 3.34Å; K479-E482 VanDerWaalsContact CE-OE2 3.28Å; K479-E482 WeakPolarHBondContact CE-OE2 3.44Å; K479-E482 IonicContact NZ-OE2 3.21Å; K479-E482 PolarHBondContact NZ-OE2 3.39Å; K479-E482 PolarHBondContact O-N 2.71Å; E482-R485 PolarHBondContact O-N 3.06Å; E482-M486 HydrophobicContact CG-CE 4.21Å; E482-M486 WeakPolarHBondContact O-CG 3.36Å; E482-M486 PolarHBondContact O-N 3.16Å
483	S	94.5	Very high	94.1	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-64.1	-44.5	-179.4	173.7	0	0	0	0	112.8	K479 R485 M486 S487 M492 A497	K479-S483 WeakPolarHBondContact O-CB 3.27Å; K479-S483 PolarHBondContact O-N 3.16Å; S483-R485 VanDerWaalsContact C-N 3.35Å; S483-R485 PolarHBondContact O-N 3.38Å; S483-M486 PolarHBondContact O-N 3.32Å; S483-M486 VanDerWaalsContact O-N 3.17Å; S483-S487 PolarHBondContact O-N 2.98Å; S483-M492 PolarHBondContact OG-SD 2.99Å; S483-A497 WeakPolarHBondContact OG-CA 3.38Å; S483-A497 VanDerWaalsContact OG-CB 3.3Å; S483-A497 WeakPolarHBondContact OG-CB 3.34Å
484	Q	93.8	Very high	94	Very high	41 Å²	41	61 Å²	61	19%	0.192	32%	0.323	C	S	.	.	H	α-helix	trans	-61	-44.2	174.6	-173.1	61.7	57.5	0	0	111.3	V480 M486 S487 D488	V480-Q484 WeakPolarHBondContact O-CB 3.19Å; V480-Q484 PolarHBondContact O-N 3.35Å; Q484-M486 VanDerWaalsContact C-N 3.28Å; Q484-M486 PolarHBondContact O-N 3.45Å; Q484-S487 WeakPolarHBondContact O-CA 3.36Å; Q484-S487 WeakPolarHBondContact O-CB 3.28Å; Q484-S487 PolarHBondContact O-N 3.02Å; Q484-S487 VanDerWaalsContact O-N 3.09Å; Q484-D488 PolarHBondContact NE2-OD1 3.39Å; Q484-D488 PolarHBondContact O-N 2.95Å
485	R	95.5	Very high	94	Very high	125 Å²	125	66.6 Å²	66.6	47%	0.472	35%	0.35	S	S	.	.	H	α-helix	trans	-60.4	-37.6	176.1	-176.2	-175.5	65.2	97.1	-1.1	112.1	K481 E482 S483 D488 E489	K481-R485 PolarHBondContact O-N 3.33Å; E482-R485 PolarHBondContact O-N 3.06Å; S483-R485 VanDerWaalsContact C-N 3.35Å; S483-R485 PolarHBondContact O-N 3.38Å; R485-D488 PolarHBondContact O-N 3.35Å; R485-E489 HydrophobicContact CG-CG 4.46Å; R485-E489 WeakPolarHBondContact CG-OE1 3.33Å; R485-E489 IonicContact CZ-OE1 3.62Å; R485-E489 IonicContact NE-OE1 2.95Å; R485-E489 IonicContact NH1-OE1 3.5Å; R485-E489 PolarHBondContact NH1-OE1 3.14Å; R485-E489 IonicContact NH1-OE2 2.71Å; R485-E489 WeakPolarHBondContact O-CB 3.23Å; R485-E489 VanDerWaalsContact O-CG 3.3Å; R485-E489 WeakPolarHBondContact O-CG 3.37Å; R485-E489 PolarHBondContact O-N 2.9Å
486	M	94.3	Very high	94	Very high	54 Å²	54	69.7 Å²	69.7	27%	0.266	36%	0.355	S	S	.	.	H	α-helix	trans	-68.1	-34.3	175.5	-69.4	-171	-57.9	0	0	112.4	E482 S483 Q484 G490 K491 M492	E482-M486 HydrophobicContact CG-CE 4.21Å; E482-M486 WeakPolarHBondContact O-CG 3.36Å; E482-M486 PolarHBondContact O-N 3.16Å; S483-M486 PolarHBondContact O-N 3.32Å; S483-M486 VanDerWaalsContact O-N 3.17Å; Q484-M486 VanDerWaalsContact C-N 3.28Å; Q484-M486 PolarHBondContact O-N 3.45Å; M486-G490 PolarHBondContact O-N 3.45Å; M486-K491 HydrophobicContact CB-CB 4.37Å; M486-K491 WeakPolarHBondContact O-CA 3.42Å; M486-K491 PolarHBondContact O-N 3.25Å; M486-M492 HydrophobicContact CB-CB 3.83Å; M486-M492 HydrophobicContact CB-SD 4.39Å; M486-M492 HydrophobicContact CE-CE 3.82Å; M486-M492 HydrophobicContact CE-SD 3.91Å; M486-M492 PolarHBondContact O-N 3.3Å
487	S	95.5	Very high	94	Very high	19 Å²	19	69.7 Å²	69.7	13%	0.133	36%	0.355	C	S	.	.	H	α-helix	trans	-63.5	-49.1	170.2	-171.5	0	0	0	0	111.3	S483 Q484 E489 G490 M492 Q494	S483-S487 PolarHBondContact O-N 2.98Å; Q484-S487 WeakPolarHBondContact O-CA 3.36Å; Q484-S487 WeakPolarHBondContact O-CB 3.28Å; Q484-S487 PolarHBondContact O-N 3.02Å; Q484-S487 VanDerWaalsContact O-N 3.09Å; S487-E489 PolarHBondContact O-N 3.3Å; S487-G490 PolarHBondContact O-N 2.85Å; S487-M492 WeakPolarHBondContact CA-O 3.39Å; S487-Q494 PolarHBondContact OG-OE1 3.18Å
488	D	94.1	Very high	94	Very high	117 Å²	117	73 Å²	73	63%	0.626	37%	0.373	S	S	*	.	H	α-helix	trans	-61.8	-31.5	178.5	-55	-20	0	0	0	112.4	Q484 R485 G490	Q484-D488 PolarHBondContact NE2-OD1 3.39Å; Q484-D488 PolarHBondContact O-N 2.95Å; R485-D488 PolarHBondContact O-N 3.35Å; D488-G490 VanDerWaalsContact C-N 3.32Å
489	E	95.6	Very high	93.9	Very high	83 Å²	83	71.2 Å²	71.2	39%	0.388	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-1.4	173.7	-73.3	177	-158.4	0	0	114	R485 S487 K491	R485-E489 HydrophobicContact CG-CG 4.46Å; R485-E489 WeakPolarHBondContact CG-OE1 3.33Å; R485-E489 IonicContact CZ-OE1 3.62Å; R485-E489 IonicContact NE-OE1 2.95Å; R485-E489 IonicContact NH1-OE1 3.5Å; R485-E489 PolarHBondContact NH1-OE1 3.14Å; R485-E489 IonicContact NH1-OE2 2.71Å; R485-E489 WeakPolarHBondContact O-CB 3.23Å; R485-E489 VanDerWaalsContact O-CG 3.3Å; R485-E489 WeakPolarHBondContact O-CG 3.37Å; R485-E489 PolarHBondContact O-N 2.9Å; S487-E489 PolarHBondContact O-N 3.3Å; E489-K491 HydrophobicContact CB-CD 4.1Å; E489-K491 HydrophobicContact CB-CG 4.28Å; E489-K491 WeakPolarHBondContact OE2-CE 3.3Å; E489-K491 IonicContact OE2-NZ 3.8Å; E489-K491 PolarHBondContact OE2-NZ 2.95Å
490	G	93.4	Very high	94	Very high	69 Å²	69	69.2 Å²	69.2	71%	0.711	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	26	-179.6	0	0	0	0	0	114.8	M486 S487 D488	M486-G490 PolarHBondContact O-N 3.45Å; S487-G490 PolarHBondContact O-N 2.85Å; D488-G490 VanDerWaalsContact C-N 3.32Å
491	K	93.4	Very high	93.9	Very high	149 Å²	149	72.5 Å²	72.5	65%	0.648	36%	0.362	S	S	*	.	S	Bend	trans	-107.5	-5.8	-176.4	-65.2	173.3	-177	166.6	0	114.1	M486 E489	M486-K491 HydrophobicContact CB-CB 4.37Å; M486-K491 WeakPolarHBondContact O-CA 3.42Å; M486-K491 PolarHBondContact O-N 3.25Å; E489-K491 HydrophobicContact CB-CD 4.1Å; E489-K491 HydrophobicContact CB-CG 4.28Å; E489-K491 WeakPolarHBondContact OE2-CE 3.3Å; E489-K491 IonicContact OE2-NZ 3.8Å; E489-K491 PolarHBondContact OE2-NZ 2.95Å
492	M	94.1	Very high	93.8	Very high	29 Å²	29	73.8 Å²	73.8	14%	0.143	37%	0.368	C	S	.	.	S	Bend	trans	-148.7	146.1	-177.8	173.3	171.9	-101.2	0	0	107.8	S483 M486 S487 E496 A497	S483-M492 PolarHBondContact OG-SD 2.99Å; M486-M492 HydrophobicContact CB-CB 3.83Å; M486-M492 HydrophobicContact CB-SD 4.39Å; M486-M492 HydrophobicContact CE-CE 3.82Å; M486-M492 HydrophobicContact CE-SD 3.91Å; M486-M492 PolarHBondContact O-N 3.3Å; S487-M492 WeakPolarHBondContact CA-O 3.39Å; M492-E496 VanDerWaalsContact CE-CD 3.45Å; M492-E496 HydrophobicContact CE-CG 3.99Å; M492-E496 VanDerWaalsContact CE-OE1 3.28Å; M492-E496 WeakPolarHBondContact CE-OE1 3.41Å; M492-E496 HydrophobicContact CG-CB 4.05Å; M492-E496 HydrophobicContact CG-CG 4.31Å; M492-A497 HydrophobicContact SD-CB 4.29Å
493	D	94.4	Very high	93.8	Very high	122 Å²	122	73.1 Å²	73.1	65%	0.652	36%	0.363	S	S	*	.			trans	-76.6	143.3	177.7	-72.8	-33.5	0	0	0	110.9	E495 E496 A497	D493-E495 PolarHBondContact O-N 3.44Å; D493-E496 HydrophobicContact CB-CB 4.46Å; D493-E496 WeakPolarHBondContact O-CB 3.45Å; D493-E496 PolarHBondContact O-N 3.07Å; D493-A497 PolarHBondContact O-N 3.46Å; D493-A497 VanDerWaalsContact O-N 3.07Å
494	Q	92.1	Very high	93.8	Very high	75 Å²	75	73 Å²	73	35%	0.35	36%	0.362	S	S	.	.	H	α-helix	trans	-60.9	-31.7	-179.7	-175.5	60	44.4	0	0	112.3	S487 A497 D498	S487-Q494 PolarHBondContact OG-OE1 3.18Å; Q494-A497 PolarHBondContact O-N 3.09Å; Q494-D498 PolarHBondContact NE2-OD1 2.81Å; Q494-D498 PolarHBondContact NE2-OD2 2.79Å; Q494-D498 WeakPolarHBondContact O-CB 3.38Å; Q494-D498 VanDerWaalsContact O-CG 3.32Å; Q494-D498 PolarHBondContact O-N 3.28Å
495	E	93.4	Very high	93.8	Very high	171 Å²	171	73.6 Å²	73.6	80%	0.799	36%	0.362	S	S	*	.	H	α-helix	trans	-65.5	-37.5	174.5	-175.8	172.3	-173.1	0	0	112.2	D493 G499	D493-E495 PolarHBondContact O-N 3.44Å; E495-G499 PolarHBondContact O-N 2.95Å
496	E	92.3	Very high	93.7	Very high	99 Å²	99	68.4 Å²	68.4	46%	0.463	34%	0.344	S	S	.	.	H	α-helix	trans	-65.6	-44.8	174.7	-166	-176.1	170.6	0	0	110.3	M492 D493 G499 V500	M492-E496 VanDerWaalsContact CE-CD 3.45Å; M492-E496 HydrophobicContact CE-CG 3.99Å; M492-E496 VanDerWaalsContact CE-OE1 3.28Å; M492-E496 WeakPolarHBondContact CE-OE1 3.41Å; M492-E496 HydrophobicContact CG-CB 4.05Å; M492-E496 HydrophobicContact CG-CG 4.31Å; D493-E496 HydrophobicContact CB-CB 4.46Å; D493-E496 WeakPolarHBondContact O-CB 3.45Å; D493-E496 PolarHBondContact O-N 3.07Å; E496-G499 WeakPolarHBondContact O-CA 3.35Å; E496-G499 PolarHBondContact O-N 2.81Å; E496-G499 VanDerWaalsContact O-N 3.12Å; E496-V500 PolarHBondContact O-N 3.22Å
497	A	92.7	Very high	93.6	Very high	3 Å²	3	65.9 Å²	65.9	3%	0.025	33%	0.332	C	S	.	.	H	α-helix	trans	-65	-38.4	177.2	0	0	0	0	0	113.6	S483 M492 D493 Q494 G499 V500 R501	S483-A497 WeakPolarHBondContact OG-CA 3.38Å; S483-A497 VanDerWaalsContact OG-CB 3.3Å; S483-A497 WeakPolarHBondContact OG-CB 3.34Å; M492-A497 HydrophobicContact SD-CB 4.29Å; D493-A497 PolarHBondContact O-N 3.46Å; D493-A497 VanDerWaalsContact O-N 3.07Å; Q494-A497 PolarHBondContact O-N 3.09Å; A497-G499 VanDerWaalsContact C-N 3.3Å; A497-G499 PolarHBondContact O-N 2.9Å; A497-V500 PolarHBondContact O-N 2.93Å; A497-R501 WeakPolarHBondContact O-CB 3.31Å; A497-R501 PolarHBondContact O-N 2.81Å
498	D	92.9	Very high	93.6	Very high	75 Å²	75	65.2 Å²	65.2	40%	0.401	33%	0.328	S	S	.	.	H	α-helix	trans	-68.5	-30.7	172.4	-72.9	-24.6	0	0	0	111.8	Q494 R501 K502	Q494-D498 PolarHBondContact NE2-OD1 2.81Å; Q494-D498 PolarHBondContact NE2-OD2 2.79Å; Q494-D498 WeakPolarHBondContact O-CB 3.38Å; Q494-D498 VanDerWaalsContact O-CG 3.32Å; Q494-D498 PolarHBondContact O-N 3.28Å; D498-R501 PolarHBondContact O-N 3.2Å; D498-R501 IonicContact OD1-NE 2.63Å; D498-K502 WeakPolarHBondContact O-CB 3.3Å; D498-K502 PolarHBondContact O-N 2.98Å
499	G	93.3	Very high	93.7	Very high	15 Å²	15	59.7 Å²	59.7	16%	0.155	30%	0.298	C	S	.	.	H	α-helix	trans	-59.4	-48.8	167.1	0	0	0	0	0	112.7	E495 E496 A497 R501 K502 R503	E495-G499 PolarHBondContact O-N 2.95Å; E496-G499 WeakPolarHBondContact O-CA 3.35Å; E496-G499 PolarHBondContact O-N 2.81Å; E496-G499 VanDerWaalsContact O-N 3.12Å; A497-G499 VanDerWaalsContact C-N 3.3Å; A497-G499 PolarHBondContact O-N 2.9Å; G499-R501 VanDerWaalsContact C-N 3.34Å; G499-R501 PolarHBondContact O-N 3.13Å; G499-K502 PolarHBondContact O-N 2.96Å; G499-R503 WeakPolarHBondContact O-CG 3.29Å; G499-R503 PolarHBondContact O-N 3.18Å; G499-R503 PolarHBondContact O-NE 3.28Å
500	V	94.4	Very high	93.7	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-45.6	175.6	177.1	0	0	0	0	110.7	V182 K479 V480 E496 A497 K502 R503 C504	V182-V500 HydrophobicContact CG1-CG1 3.76Å; V182-V500 WeakPolarHBondContact O-CA 3.47Å; K479-V500 HydrophobicContact CB-CG1 4.42Å; V480-V500 HydrophobicContact CG2-CG1 4.14Å; E496-V500 PolarHBondContact O-N 3.22Å; A497-V500 PolarHBondContact O-N 2.93Å; V500-K502 PolarHBondContact O-N 3.08Å; V500-R503 PolarHBondContact O-N 3.41Å; V500-C504 WeakPolarHBondContact O-CB 3.46Å; V500-C504 PolarHBondContact O-N 3.09Å
501	R	93.1	Very high	93.9	Very high	78 Å²	78	52.5 Å²	52.5	29%	0.294	25%	0.246	S	C	.	.	H	α-helix	trans	-58.8	-44.7	175.8	-169.7	-175.2	-64.3	-81.2	-1.1	112.2	L355 V480 A497 D498 G499 R505	L355-R501 HydrophobicContact CD1-CG 4.1Å; V480-R501 HydrophobicContact CG1-CB 4.4Å; V480-R501 HydrophobicContact CG1-CG 4.35Å; A497-R501 WeakPolarHBondContact O-CB 3.31Å; A497-R501 PolarHBondContact O-N 2.81Å; D498-R501 PolarHBondContact O-N 3.2Å; D498-R501 IonicContact OD1-NE 2.63Å; G499-R501 VanDerWaalsContact C-N 3.34Å; G499-R501 PolarHBondContact O-N 3.13Å; R501-R505 WeakPolarHBondContact O-CG 3.46Å; R501-R505 PolarHBondContact O-N 2.76Å
502	K	92.8	Very high	94.1	Very high	147 Å²	147	45.5 Å²	45.5	64%	0.639	22%	0.216	S	C	*	.	H	α-helix	trans	-64.3	-42.9	178.9	-175.7	178.2	178.7	-178.7	0	112.1	D498 G499 V500 R505 T506	D498-K502 WeakPolarHBondContact O-CB 3.3Å; D498-K502 PolarHBondContact O-N 2.98Å; G499-K502 PolarHBondContact O-N 2.96Å; V500-K502 PolarHBondContact O-N 3.08Å; K502-R505 WeakPolarHBondContact O-CB 3.29Å; K502-R505 PolarHBondContact O-N 2.68Å; K502-T506 PolarHBondContact O-N 3.27Å; K502-T506 PolarHBondContact O-OG1 3.4Å
503	R	93.7	Very high	94.3	Very high	61 Å²	61	44.1 Å²	44.1	23%	0.23	21%	0.209	C	C	.	.	H	α-helix	trans	-72.9	-36.4	179.8	-65.2	177	-53.5	-114.2	-7	111.7	F181 V182 L183 G184 G499 V500 R505 T506 V507	F181-R503 HydrophobicContact CD1-CB 4.28Å; F181-R503 HydrophobicContact CE1-CB 3.79Å; F181-R503 HydrophobicContact CE1-CG 4.4Å; F181-R503 WeakPolarHBondContact CE1-O 3.41Å; F181-R503 HydrophobicContact CE2-CG 4.4Å; F181-R503 HydrophobicContact CZ-CB 3.99Å; F181-R503 HydrophobicContact CZ-CG 4.09Å; F181-R503 WeakPolarHBondContact O-CD 3.41Å; F181-R503 PolarHBondContact O-NE 2.87Å; V182-R503 VanDerWaalsContact O-CZ 3.31Å; V182-R503 PolarHBondContact O-NE 3.32Å; V182-R503 PolarHBondContact O-NH2 3.49Å; L183-R503 PolarHBondContact O-NH2 3.32Å; G184-R503 VanDerWaalsContact CA-CZ 3.46Å; G499-R503 WeakPolarHBondContact O-CG 3.29Å; G499-R503 PolarHBondContact O-N 3.18Å; G499-R503 PolarHBondContact O-NE 3.28Å; V500-R503 PolarHBondContact O-N 3.41Å; R503-R505 VanDerWaalsContact C-N 3.34Å; R503-R505 PolarHBondContact O-N 3.44Å; R503-T506 WeakPolarHBondContact O-CB 3.3Å; R503-T506 PolarHBondContact O-N 3.23Å; R503-T506 VanDerWaalsContact O-N 3.12Å; R503-V507 PolarHBondContact O-N 3.03Å
504	C	94.4	Very high	94.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60	-39.9	169.8	-178.3	0	0	0	0	112.8	V182 A476 V480 V500 T506 V507 G508	V182-C504 HydrophobicContact CG1-CB 4.47Å; A476-C504 HydrophobicContact CB-CB 4.35Å; V480-C504 HydrophobicContact CG2-CB 3.37Å; V500-C504 WeakPolarHBondContact O-CB 3.46Å; V500-C504 PolarHBondContact O-N 3.09Å; C504-T506 VanDerWaalsContact C-N 3.3Å; C504-T506 PolarHBondContact O-N 2.9Å; C504-V507 PolarHBondContact O-N 3.12Å; C504-G508 PolarHBondContact O-N 3.37Å
505	R	93.8	Very high	94.7	Very high	54 Å²	54	35 Å²	35	20%	0.204	16%	0.163	C	C	.	.	H	α-helix	trans	-57.9	-40.8	171.8	-76.6	174	64.8	-163.8	-2.1	112	E351 L355 R501 K502 R503 V507 G508 F509	E351-R505 PolarHBondContact O-NH2 3.24Å; L355-R505 HydrophobicContact CD2-CG 3.99Å; R501-R505 WeakPolarHBondContact O-CG 3.46Å; R501-R505 PolarHBondContact O-N 2.76Å; K502-R505 WeakPolarHBondContact O-CB 3.29Å; K502-R505 PolarHBondContact O-N 2.68Å; R503-R505 VanDerWaalsContact C-N 3.34Å; R503-R505 PolarHBondContact O-N 3.44Å; R505-V507 PolarHBondContact O-N 3.21Å; R505-G508 PolarHBondContact O-N 3.16Å; R505-F509 VanDerWaalsContact O-CD2 3.25Å; R505-F509 WeakPolarHBondContact O-CD2 3.49Å; R505-F509 PolarHBondContact O-N 3.19Å
506	T	93.7	Very high	94.9	Very high	16 Å²	16	27.2 Å²	27.2	10%	0.098	13%	0.126	C	C	.	.	H	α-helix	trans	-58	-46.8	177.8	-53	0	0	0	0	112.3	F181 F346 I348 K502 R503 C504 F509 A510	F181-T506 HydrophobicContact CE1-CG2 4.38Å; F181-T506 HydrophobicContact CZ-CG2 4.15Å; F346-T506 HydrophobicContact CB-CG2 4Å; F346-T506 HydrophobicContact CD2-CG2 4.09Å; I348-T506 HydrophobicContact CG2-CG2 4Å; K502-T506 PolarHBondContact O-N 3.27Å; K502-T506 PolarHBondContact O-OG1 3.4Å; R503-T506 WeakPolarHBondContact O-CB 3.3Å; R503-T506 PolarHBondContact O-N 3.23Å; R503-T506 VanDerWaalsContact O-N 3.12Å; C504-T506 VanDerWaalsContact C-N 3.3Å; C504-T506 PolarHBondContact O-N 2.9Å; T506-F509 PolarHBondContact O-N 3.32Å; T506-A510 PolarHBondContact O-N 3.33Å; T506-A510 VanDerWaalsContact O-N 3.16Å
507	V	93.6	Very high	95.2	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	11%	0.107	C	C	.	.	H	α-helix	trans	-65.3	-39.9	176.5	-167.7	0	0	0	0	111	V178 F181 V182 V267 M343 Q473 R503 C504 R505 F509 A510 L511	V178-V507 HydrophobicContact CG1-CG1 4Å; V178-V507 HydrophobicContact CG1-CG2 3.81Å; F181-V507 HydrophobicContact CD1-CG2 3.98Å; F181-V507 HydrophobicContact CE1-CG2 3.96Å; V182-V507 HydrophobicContact CG2-CG2 4.21Å; V267-V507 HydrophobicContact CG1-CG1 4.12Å; M343-V507 HydrophobicContact SD-CG2 4.38Å; Q473-V507 VanDerWaalsContact OE1-C 3.28Å; R503-V507 PolarHBondContact O-N 3.03Å; C504-V507 PolarHBondContact O-N 3.12Å; R505-V507 PolarHBondContact O-N 3.21Å; V507-F509 PolarHBondContact O-N 2.9Å; V507-A510 PolarHBondContact O-N 3.47Å; V507-L511 PolarHBondContact O-N 2.93Å
508	G	94.8	Very high	95.5	Very high	4 Å²	4	23.2 Å²	23.2	4%	0.041	11%	0.107	C	C	.	.	H	α-helix	trans	-65.7	-34.9	178.1	0	0	0	0	0	114.3	C504 R505 Q512	C504-G508 PolarHBondContact O-N 3.37Å; R505-G508 PolarHBondContact O-N 3.16Å; G508-Q512 WeakPolarHBondContact O-CB 3.15Å; G508-Q512 WeakPolarHBondContact O-CG 3.46Å; G508-Q512 PolarHBondContact O-N 3.49Å; G508-Q512 PolarHBondContact O-NE2 3.35Å
509	F	96.8	Very high	95.7	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-66.6	-46	171	-86.9	-69.9	0	0	0	111.2	I198 M200 P205 I348 P349 Q353 R505 T506 V507 Q512 A513	I198-F509 HydrophobicContact CD1-CB 4.01Å; I198-F509 HydrophobicContact CG2-CB 4.41Å; I198-F509 HydrophobicContact CG2-CD1 4.42Å; M200-F509 HydrophobicContact SD-CE1 3.99Å; P205-F509 HydrophobicContact CB-CD1 3.89Å; P205-F509 HydrophobicContact CG-CD1 3.61Å; P205-F509 HydrophobicContact CG-CE1 3.88Å; I348-F509 HydrophobicContact CB-CB 4.46Å; I348-F509 HydrophobicContact CB-CD2 4Å; I348-F509 HydrophobicContact CB-CG 4.29Å; I348-F509 HydrophobicContact CD1-CD2 3.93Å; I348-F509 HydrophobicContact CD1-CE2 4.21Å; I348-F509 HydrophobicContact CG2-CB 3.93Å; I348-F509 HydrophobicContact CG2-CD2 4.21Å; I348-F509 HydrophobicContact CG2-CG 4.28Å; P349-F509 HydrophobicContact CB-CE1 4.38Å; P349-F509 HydrophobicContact CG-CD1 4.34Å; P349-F509 HydrophobicContact CG-CE1 4.05Å; Q353-F509 HydrophobicContact CG-CE1 4.31Å; Q353-F509 HydrophobicContact CG-CZ 4.06Å; R505-F509 VanDerWaalsContact O-CD2 3.25Å; R505-F509 WeakPolarHBondContact O-CD2 3.49Å; R505-F509 PolarHBondContact O-N 3.19Å; T506-F509 PolarHBondContact O-N 3.32Å; V507-F509 PolarHBondContact O-N 2.9Å; F509-Q512 PolarHBondContact O-N 3.4Å; F509-A513 WeakPolarHBondContact O-CB 3.34Å; F509-A513 PolarHBondContact O-N 2.83Å
510	A	95.8	Very high	95.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.4	-44.8	179	0	0	0	0	0	112.4	I198 W207 V267 F346 T506 V507 Q512 A513 E514	I198-A510 HydrophobicContact CD1-CB 4.02Å; W207-A510 HydrophobicContact CH2-CB 3.8Å; W207-A510 HydrophobicContact CZ2-CB 4.23Å; V267-A510 HydrophobicContact CG2-CB 4.06Å; F346-A510 HydrophobicContact CD2-CB 3.92Å; F346-A510 HydrophobicContact CE2-CB 3.45Å; F346-A510 VanDerWaalsContact CE2-CB 3.45Å; F346-A510 HydrophobicContact CZ-CB 4.08Å; T506-A510 PolarHBondContact O-N 3.33Å; T506-A510 VanDerWaalsContact O-N 3.16Å; V507-A510 PolarHBondContact O-N 3.47Å; A510-Q512 PolarHBondContact O-N 3.01Å; A510-A513 PolarHBondContact O-N 3.19Å; A510-E514 WeakPolarHBondContact O-CB 3.49Å; A510-E514 PolarHBondContact O-N 2.98Å
511	L	96.3	Very high	96.1	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-64.6	-39.7	176.4	179.4	54	0	0	0	112.4	V362 I469 Q473 V507 E514 M515	V362-L511 HydrophobicContact CG1-CD2 4.32Å; V362-L511 HydrophobicContact CG2-CD2 3.86Å; I469-L511 HydrophobicContact CG2-CD1 3.61Å; Q473-L511 HydrophobicContact CB-CD2 3.59Å; Q473-L511 HydrophobicContact CG-CD2 3.87Å; V507-L511 PolarHBondContact O-N 2.93Å; L511-E514 PolarHBondContact O-N 3.34Å; L511-M515 HydrophobicContact CD1-CG 4.05Å; L511-M515 HydrophobicContact CD1-SD 4.1Å; L511-M515 HydrophobicContact CG-CG 4.38Å; L511-M515 HydrophobicContact CG-SD 3.85Å; L511-M515 WeakPolarHBondContact O-CB 3.33Å; L511-M515 WeakPolarHBondContact O-CG 3.29Å; L511-M515 PolarHBondContact O-N 2.96Å
512	Q	97.4	Very high	96.3	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.009	11%	0.105	C	C	.	.	H	α-helix	trans	-65.6	-39.9	175.7	-77.7	173.6	92.2	0	0	112.3	P205 V358 G508 F509 A510 E514 M515 N516	P205-Q512 HydrophobicContact CB-CB 3.89Å; P205-Q512 HydrophobicContact CG-CB 3.86Å; V358-Q512 HydrophobicContact CG1-CG 4.44Å; G508-Q512 WeakPolarHBondContact O-CB 3.15Å; G508-Q512 WeakPolarHBondContact O-CG 3.46Å; G508-Q512 PolarHBondContact O-N 3.49Å; G508-Q512 PolarHBondContact O-NE2 3.35Å; F509-Q512 PolarHBondContact O-N 3.4Å; A510-Q512 PolarHBondContact O-N 3.01Å; Q512-E514 VanDerWaalsContact C-N 3.33Å; Q512-M515 PolarHBondContact O-N 2.95Å; Q512-N516 WeakPolarHBondContact O-CB 3.47Å; Q512-N516 PolarHBondContact O-N 2.81Å
513	A	97.9	Very high	96.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.6	-43.5	173.9	0	0	0	0	0	111.5	I198 P205 W207 F509 A510 N516 H517	I198-A513 HydrophobicContact CD1-CB 4.41Å; I198-A513 HydrophobicContact CG1-CB 4.36Å; I198-A513 HydrophobicContact CG2-CB 4.22Å; P205-A513 WeakPolarHBondContact O-CA 3.47Å; W207-A513 HydrophobicContact CD2-CB 3.8Å; W207-A513 HydrophobicContact CE3-CB 4.34Å; W207-A513 HydrophobicContact CG-CB 4.01Å; W207-A513 HydrophobicContact CZ2-CB 4.15Å; F509-A513 WeakPolarHBondContact O-CB 3.34Å; F509-A513 PolarHBondContact O-N 2.83Å; A510-A513 PolarHBondContact O-N 3.19Å; A513-N516 PolarHBondContact O-N 2.93Å; A513-H517 PolarHBondContact O-N 3.47Å
514	E	98	Very high	96.7	Very high	3 Å²	3	21.7 Å²	21.7	1%	0.014	10%	0.102	C	C	.	.	H	α-helix	trans	-64.7	-47.3	176.7	-173.1	61.2	-165	0	0	113	W207 V267 I268 S269 H304 F466 A510 L511 Q512 N516 H517 F518	W207-E514 PolarHBondContact NE1-OE2 3.36Å; V267-E514 WeakPolarHBondContact O-CG 3.34Å; I268-E514 WeakPolarHBondContact CD1-OE2 3.41Å; S269-E514 WeakPolarHBondContact CB-OE1 3.32Å; S269-E514 PolarHBondContact N-OE1 3.5Å; H304-E514 IonicContact CE1-OE2 2.7Å; H304-E514 IonicContact NE2-OE1 2.69Å; H304-E514 IonicContact NE2-OE2 3.88Å; H304-E514 PolarHBondContact NE2-OE2 2.93Å; F466-E514 HydrophobicContact CE1-CG 4.13Å; F466-E514 HydrophobicContact CZ-CG 4.43Å; A510-E514 WeakPolarHBondContact O-CB 3.49Å; A510-E514 PolarHBondContact O-N 2.98Å; L511-E514 PolarHBondContact O-N 3.34Å; Q512-E514 VanDerWaalsContact C-N 3.33Å; E514-N516 VanDerWaalsContact C-N 3.26Å; E514-N516 PolarHBondContact O-N 3.17Å; E514-H517 PolarHBondContact O-N 3Å; E514-F518 WeakPolarHBondContact O-CB 3.47Å; E514-F518 PolarHBondContact O-N 3.26Å
515	M	98.1	Very high	96.9	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.02	10%	0.102	C	C	.	.	H	α-helix	trans	-57.7	-41	174.9	-73.7	167.8	36.6	0	0	111.6	R361 F365 L511 Q512 H519	R361-M515 HydrophobicContact CG-CE 4.06Å; F365-M515 HydrophobicContact CB-CE 3.39Å; F365-M515 HydrophobicContact CB-SD 3.89Å; F365-M515 HydrophobicContact CD1-CE 4.37Å; F365-M515 HydrophobicContact CD1-CG 3.73Å; F365-M515 HydrophobicContact CD1-SD 3.87Å; F365-M515 HydrophobicContact CD2-CB 4.05Å; F365-M515 HydrophobicContact CD2-CE 3.84Å; F365-M515 HydrophobicContact CD2-CG 3.77Å; F365-M515 HydrophobicContact CD2-SD 4.24Å; F365-M515 HydrophobicContact CE1-CG 3.8Å; F365-M515 HydrophobicContact CE2-CB 3.99Å; F365-M515 HydrophobicContact CE2-CG 3.82Å; F365-M515 HydrophobicContact CG-CB 4.47Å; F365-M515 HydrophobicContact CG-CE 3.61Å; F365-M515 HydrophobicContact CG-CG 3.73Å; F365-M515 HydrophobicContact CG-SD 3.72Å; F365-M515 HydrophobicContact CZ-CB 4.39Å; F365-M515 HydrophobicContact CZ-CG 3.85Å; L511-M515 HydrophobicContact CD1-CG 4.05Å; L511-M515 HydrophobicContact CD1-SD 4.1Å; L511-M515 HydrophobicContact CG-CG 4.38Å; L511-M515 HydrophobicContact CG-SD 3.85Å; L511-M515 WeakPolarHBondContact O-CB 3.33Å; L511-M515 WeakPolarHBondContact O-CG 3.29Å; L511-M515 PolarHBondContact O-N 2.96Å; Q512-M515 PolarHBondContact O-N 2.95Å; M515-H519 PolarHBondContact O-CD2 3.48Å; M515-H519 VanDerWaalsContact O-CG 3.31Å; M515-H519 PolarHBondContact O-N 3.04Å
516	N	98.1	Very high	97.1	Very high	7 Å²	7	21.8 Å²	21.8	4%	0.037	10%	0.104	C	C	.	.	H	α-helix	trans	-69.2	-42.6	177.7	-82.8	-11.6	0	0	0	112	K203 P205 R361 Q512 A513 E514 H519 Q520	K203-N516 PolarHBondContact O-ND2 3.24Å; P205-N516 PolarHBondContact O-ND2 3.48Å; R361-N516 PolarHBondContact NH2-OD1 2.94Å; R361-N516 VanDerWaalsContact NH2-OD1 3.08Å; Q512-N516 WeakPolarHBondContact O-CB 3.47Å; Q512-N516 PolarHBondContact O-N 2.81Å; A513-N516 PolarHBondContact O-N 2.93Å; E514-N516 VanDerWaalsContact C-N 3.26Å; E514-N516 PolarHBondContact O-N 3.17Å; N516-H519 PolarHBondContact O-N 3.39Å; N516-Q520 VanDerWaalsContact O-CG 3.29Å; N516-Q520 WeakPolarHBondContact O-CG 3.35Å; N516-Q520 PolarHBondContact O-N 3.15Å
517	H	98.1	Very high	97.4	Very high	13 Å²	13	27.3 Å²	27.3	6%	0.06	13%	0.126	C	C	.	.	H	α-helix	trans	-60.9	-45.9	173.8	-179.7	67.4	0	0	0	111.6	H304 A513 E514 H519 Q520 R521	H304-H517 AromaticContact CD2-CD2 3.31Å; H304-H517 PolarHBondContact CD2-CD2 3.49Å; H304-H517 AromaticContact CD2-NE2 3.31Å; H304-H517 PolarHBondContact CD2-NE2 3.3Å; H304-H517 VanDerWaalsContact CD2-NE2 3.31Å; H304-H517 AromaticContact CG-NE2 3.73Å; H304-H517 AromaticContact NE2-CD2 3.55Å; A513-H517 PolarHBondContact O-N 3.47Å; E514-H517 PolarHBondContact O-N 3Å; H517-H519 VanDerWaalsContact C-N 3.32Å; H517-H519 PolarHBondContact O-N 2.91Å; H517-Q520 PolarHBondContact O-N 3.21Å; H517-R521 PolarHBondContact O-N 3.5Å
518	F	98.4	Very high	97.6	Very high	4 Å²	4	32 Å²	32	2%	0.018	15%	0.148	C	C	.	.	H	α-helix	trans	-56.1	-44.5	173.9	176.9	-93.1	0	0	0	112.1	F365 F368 M372 Y459 L462 L463 F466 E514 R522	F365-F518 HydrophobicContact CE2-CD1 4.23Å; F365-F518 HydrophobicContact CZ-CD1 4.24Å; F368-F518 HydrophobicContact CE1-CD1 4.49Å; F368-F518 AromaticContact CE1-CE1 3.91Å; F368-F518 HydrophobicContact CE1-CE1 3.91Å; F368-F518 HydrophobicContact CZ-CE1 4.23Å; M372-F518 HydrophobicContact CE-CZ 4.08Å; M372-F518 HydrophobicContact SD-CE1 3.92Å; M372-F518 HydrophobicContact SD-CZ 3.83Å; Y459-F518 AromaticContact CD1-CE2 3.7Å; Y459-F518 HydrophobicContact CD1-CE2 3.7Å; Y459-F518 AromaticContact CD1-CZ 3.79Å; Y459-F518 HydrophobicContact CD1-CZ 3.79Å; Y459-F518 HydrophobicContact CE1-CD2 4.37Å; Y459-F518 AromaticContact CE1-CE2 3.64Å; Y459-F518 HydrophobicContact CE1-CE2 3.64Å; Y459-F518 AromaticContact CE1-CZ 3.88Å; Y459-F518 HydrophobicContact CE1-CZ 3.88Å; L462-F518 HydrophobicContact CB-CD2 4.39Å; L462-F518 HydrophobicContact CB-CE2 3.96Å; L462-F518 HydrophobicContact CD1-CE2 4.35Å; L463-F518 HydrophobicContact CD2-CE1 4.38Å; L463-F518 HydrophobicContact CD2-CE2 4.4Å; L463-F518 HydrophobicContact CD2-CZ 3.73Å; L463-F518 HydrophobicContact CG-CZ 4.15Å; F466-F518 HydrophobicContact CE2-CB 4.38Å; F466-F518 HydrophobicContact CE2-CD1 4.4Å; F466-F518 AromaticContact CE2-CD2 3.64Å; F466-F518 HydrophobicContact CE2-CD2 3.64Å; F466-F518 AromaticContact CE2-CE2 3.96Å; F466-F518 HydrophobicContact CE2-CE2 3.96Å; F466-F518 AromaticContact CE2-CG 3.87Å; F466-F518 HydrophobicContact CE2-CG 3.87Å; F466-F518 HydrophobicContact CE2-CZ 4.48Å; F466-F518 HydrophobicContact CZ-CB 3.95Å; F466-F518 HydrophobicContact CZ-CD2 4.04Å; F466-F518 AromaticContact CZ-CG 3.94Å; F466-F518 HydrophobicContact CZ-CG 3.94Å; E514-F518 WeakPolarHBondContact O-CB 3.47Å; E514-F518 PolarHBondContact O-N 3.26Å; F518-R522 WeakPolarHBondContact O-CB 3.42Å; F518-R522 PolarHBondContact O-N 3.05Å
519	H	98.3	Very high	97.7	Very high	37 Å²	37	32.5 Å²	32.5	17%	0.171	15%	0.15	C	C	.	.	H	α-helix	trans	-65.9	-42.4	177.4	-74.3	-44.9	0	0	0	113.4	F365 F368 M515 N516 H517 R522 E523	F365-H519 AromaticContact CD2-CE1 3.92Å; F365-H519 AromaticContact CD2-NE2 3.52Å; F365-H519 AromaticContact CE2-CE1 3.74Å; F365-H519 AromaticContact CE2-NE2 3.62Å; F368-H519 AromaticContact CD1-CE1 3.74Å; F368-H519 AromaticContact CE1-CE1 3.4Å; F368-H519 WeakPolarHBondContact CE1-CE1 3.49Å; F368-H519 AromaticContact CE1-ND1 4Å; F368-H519 AromaticContact CZ-CE1 3.79Å; M515-H519 PolarHBondContact O-CD2 3.48Å; M515-H519 VanDerWaalsContact O-CG 3.31Å; M515-H519 PolarHBondContact O-N 3.04Å; N516-H519 PolarHBondContact O-N 3.39Å; H517-H519 VanDerWaalsContact C-N 3.32Å; H517-H519 PolarHBondContact O-N 2.91Å; H519-R522 VanDerWaalsContact ND1-CZ 3.34Å; H519-R522 PolarHBondContact ND1-NH1 2.69Å; H519-E523 WeakPolarHBondContact O-CG 3.45Å; H519-E523 PolarHBondContact O-N 3.3Å; H519-E523 VanDerWaalsContact O-N 3.07Å
520	Q	97.1	Very high	97.8	Very high	64 Å²	64	36.2 Å²	36.2	30%	0.299	17%	0.168	S	C	.	.	H	α-helix	trans	-59	-51.9	175	-71.8	165.9	-6.7	0	0	110.5	N516 H517 R522 E523 V524	N516-Q520 VanDerWaalsContact O-CG 3.29Å; N516-Q520 WeakPolarHBondContact O-CG 3.35Å; N516-Q520 PolarHBondContact O-N 3.15Å; H517-Q520 PolarHBondContact O-N 3.21Å; Q520-R522 PolarHBondContact O-N 3.25Å; Q520-E523 PolarHBondContact O-N 3.31Å; Q520-V524 PolarHBondContact O-N 3.46Å
521	R	97.5	Very high	97.9	Very high	37 Å²	37	40.8 Å²	40.8	14%	0.14	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-43.1	-179.3	-172	67.6	-154.2	-173.4	-4.6	112	D299 Y459 H517 E523 V524 D525	D299-R521 VanDerWaalsContact CG-NH2 3.28Å; D299-R521 IonicContact OD1-CZ 3.14Å; D299-R521 IonicContact OD1-NH1 3.44Å; D299-R521 IonicContact OD1-NH2 2.73Å; D299-R521 PolarHBondContact OD1-NH2 3.14Å; D299-R521 VanDerWaalsContact OD1-NH2 3.11Å; D299-R521 IonicContact OD2-CZ 3.57Å; D299-R521 IonicContact OD2-NH2 3.6Å; D299-R521 PolarHBondContact OD2-NH2 2.89Å; Y459-R521 VanDerWaalsContact OH-C 3.3Å; Y459-R521 PolarHBondContact OH-O 3.45Å; H517-R521 PolarHBondContact O-N 3.5Å; R521-E523 VanDerWaalsContact C-N 3.33Å; R521-E523 PolarHBondContact O-N 3.14Å; R521-V524 PolarHBondContact O-N 2.91Å; R521-D525 WeakPolarHBondContact CG-OD2 3.2Å; R521-D525 IonicContact CZ-OD1 3.74Å; R521-D525 IonicContact CZ-OD2 3.75Å; R521-D525 VanDerWaalsContact NE-CG 3.32Å; R521-D525 IonicContact NE-OD1 2.97Å; R521-D525 PolarHBondContact NE-OD1 2.87Å; R521-D525 IonicContact NE-OD2 3.76Å; R521-D525 PolarHBondContact NE-OD2 2.71Å; R521-D525 IonicContact NH2-OD1 3.85Å; R521-D525 PolarHBondContact NH2-OD1 3.2Å; R521-D525 IonicContact NH2-OD2 2.82Å; R521-D525 WeakPolarHBondContact O-CB 3.5Å; R521-D525 PolarHBondContact O-N 3.27Å
522	R	97.9	Very high	98	Very high	54 Å²	54	43.1 Å²	43.1	20%	0.204	21%	0.209	C	C	.	.	H	α-helix	trans	-54.3	-45.3	174.4	175.4	-154.9	65.4	175.8	-1.7	112.5	F368 M372 Y459 F518 H519 Q520 V524 F526	F368-R522 VanDerWaalsContact CE2-NH1 3.33Å; M372-R522 HydrophobicContact CE-CG 3.99Å; Y459-R522 HydrophobicContact CE1-CB 3.96Å; Y459-R522 HydrophobicContact CE1-CG 4.39Å; Y459-R522 WeakPolarHBondContact OH-CA 3.32Å; Y459-R522 PolarHBondContact OH-N 2.87Å; Y459-R522 VanDerWaalsContact OH-N 3.12Å; F518-R522 WeakPolarHBondContact O-CB 3.42Å; F518-R522 PolarHBondContact O-N 3.05Å; H519-R522 VanDerWaalsContact ND1-CZ 3.34Å; H519-R522 PolarHBondContact ND1-NH1 2.69Å; Q520-R522 PolarHBondContact O-N 3.25Å; R522-V524 VanDerWaalsContact C-N 3.32Å; R522-V524 PolarHBondContact O-N 3.36Å; R522-F526 HydrophobicContact CG-CD2 3.94Å; R522-F526 HydrophobicContact CG-CE2 4.23Å; R522-F526 WeakPolarHBondContact O-CB 3.44Å; R522-F526 WeakPolarHBondContact O-CD2 3.42Å; R522-F526 PolarHBondContact O-N 3.21Å
523	E	98.1	Very high	98.1	Very high	91 Å²	91	45.4 Å²	45.4	43%	0.425	22%	0.218	S	C	.	.	H	α-helix	trans	-63.4	-38.1	-179.4	-79.7	162.6	-147	0	0	111.9	K203 H519 Q520 R521 K527	K203-E523 IonicContact NZ-OE1 2.79Å; K203-E523 IonicContact NZ-OE2 2.82Å; K203-E523 PolarHBondContact NZ-OE2 2.9Å; H519-E523 WeakPolarHBondContact O-CG 3.45Å; H519-E523 PolarHBondContact O-N 3.3Å; H519-E523 VanDerWaalsContact O-N 3.07Å; Q520-E523 PolarHBondContact O-N 3.31Å; R521-E523 VanDerWaalsContact C-N 3.33Å; R521-E523 PolarHBondContact O-N 3.14Å; E523-K527 WeakPolarHBondContact O-CB 3.2Å; E523-K527 PolarHBondContact O-N 3.37Å
524	V	97.5	Very high	98.1	Very high	62 Å²	62	49.6 Å²	49.6	38%	0.376	24%	0.239	S	C	.	.	H	α-helix	trans	-70.9	-55.5	174.6	178.5	0	0	0	0	111.2	Q520 R521 R522 F526 K527 E528	Q520-V524 PolarHBondContact O-N 3.46Å; R521-V524 PolarHBondContact O-N 2.91Å; R522-V524 VanDerWaalsContact C-N 3.32Å; R522-V524 PolarHBondContact O-N 3.36Å; V524-F526 PolarHBondContact O-N 3.21Å; V524-K527 WeakPolarHBondContact O-CB 3.37Å; V524-K527 PolarHBondContact O-N 2.99Å; V524-E528 HydrophobicContact CG1-CG 4.46Å; V524-E528 WeakPolarHBondContact O-CG 3.43Å; V524-E528 PolarHBondContact O-N 3.35Å
525	D	98	Very high	98.1	Very high	2 Å²	2	56 Å²	56	1%	0.011	27%	0.267	C	S	.	.	H	α-helix	trans	-61.4	-43.9	-173.5	-84.5	-33.9	0	0	0	112.8	K455 Y459 R521 E528 M529	K455-D525 IonicContact NZ-OD1 3.83Å; K455-D525 PolarHBondContact NZ-OD1 2.68Å; Y459-D525 HydrophobicContact CE2-CB 3.76Å; Y459-D525 PolarHBondContact OH-OD2 3.47Å; R521-D525 WeakPolarHBondContact CG-OD2 3.2Å; R521-D525 IonicContact CZ-OD1 3.74Å; R521-D525 IonicContact CZ-OD2 3.75Å; R521-D525 VanDerWaalsContact NE-CG 3.32Å; R521-D525 IonicContact NE-OD1 2.97Å; R521-D525 PolarHBondContact NE-OD1 2.87Å; R521-D525 IonicContact NE-OD2 3.76Å; R521-D525 PolarHBondContact NE-OD2 2.71Å; R521-D525 IonicContact NH2-OD1 3.85Å; R521-D525 PolarHBondContact NH2-OD1 3.2Å; R521-D525 IonicContact NH2-OD2 2.82Å; R521-D525 WeakPolarHBondContact O-CB 3.5Å; R521-D525 PolarHBondContact O-N 3.27Å; D525-E528 PolarHBondContact O-N 3.48Å; D525-M529 WeakPolarHBondContact O-CB 3.49Å; D525-M529 PolarHBondContact O-N 2.96Å
526	F	98.4	Very high	98.1	Very high	55 Å²	55	59.1 Å²	59.1	24%	0.241	28%	0.282	C	S	.	.	H	α-helix	trans	-70.5	-34.7	178.7	-84.5	-105	0	0	0	112.1	M372 V376 L456 Y459 R522 V524 M529 M530	M372-F526 HydrophobicContact CE-CE2 3.65Å; M372-F526 HydrophobicContact CE-CZ 3.75Å; V376-F526 HydrophobicContact CG2-CZ 4.22Å; L456-F526 HydrophobicContact CD2-CE1 4.29Å; L456-F526 HydrophobicContact CD2-CZ 4.29Å; Y459-F526 HydrophobicContact CD1-CE2 4.07Å; Y459-F526 HydrophobicContact CD2-CD2 4.48Å; Y459-F526 AromaticContact CD2-CE2 3.68Å; Y459-F526 HydrophobicContact CD2-CE2 3.68Å; Y459-F526 HydrophobicContact CD2-CZ 4.45Å; Y459-F526 HydrophobicContact CE1-CE2 4.25Å; Y459-F526 HydrophobicContact CE2-CD2 4.27Å; Y459-F526 AromaticContact CE2-CE2 3.88Å; Y459-F526 HydrophobicContact CE2-CE2 3.88Å; Y459-F526 AromaticContact CG-CE2 3.8Å; Y459-F526 HydrophobicContact CG-CE2 3.8Å; Y459-F526 HydrophobicContact CG-CZ 4.4Å; R522-F526 HydrophobicContact CG-CD2 3.94Å; R522-F526 HydrophobicContact CG-CE2 4.23Å; R522-F526 WeakPolarHBondContact O-CB 3.44Å; R522-F526 WeakPolarHBondContact O-CD2 3.42Å; R522-F526 PolarHBondContact O-N 3.21Å; V524-F526 PolarHBondContact O-N 3.21Å; F526-M529 HydrophobicContact CD1-CE 3.59Å; F526-M529 HydrophobicContact CE1-CE 3.81Å; F526-M529 HydrophobicContact CG-CE 4.21Å; F526-M530 WeakPolarHBondContact O-CB 3.33Å; F526-M530 VanDerWaalsContact O-CG 3.23Å; F526-M530 WeakPolarHBondContact O-CG 3.2Å; F526-M530 PolarHBondContact O-N 3.42Å
527	K	98.5	Very high	98.2	Very high	132 Å²	132	60 Å²	60	57%	0.574	29%	0.286	S	S	*	.	H	α-helix	trans	-62.2	-50	173.7	174.4	-172.3	171.8	-168.7	0	110.5	E523 V524 M530 Q531	E523-K527 WeakPolarHBondContact O-CB 3.2Å; E523-K527 PolarHBondContact O-N 3.37Å; V524-K527 WeakPolarHBondContact O-CB 3.37Å; V524-K527 PolarHBondContact O-N 2.99Å; K527-M530 PolarHBondContact O-N 3.11Å; K527-Q531 WeakPolarHBondContact O-CB 3.26Å; K527-Q531 VanDerWaalsContact O-CG 3.27Å; K527-Q531 WeakPolarHBondContact O-CG 3.39Å; K527-Q531 PolarHBondContact O-N 3.49Å
528	E	97.9	Very high	98.2	Very high	100 Å²	100	63.7 Å²	63.7	47%	0.467	31%	0.305	S	S	.	.	H	α-helix	trans	-64.4	-45.5	179.8	-71.2	-179	177.2	0	0	112	V524 D525 M530 Q531 A532	V524-E528 HydrophobicContact CG1-CG 4.46Å; V524-E528 WeakPolarHBondContact O-CG 3.43Å; V524-E528 PolarHBondContact O-N 3.35Å; D525-E528 PolarHBondContact O-N 3.48Å; E528-M530 PolarHBondContact O-N 2.89Å; E528-Q531 PolarHBondContact O-N 3.28Å; E528-A532 VanDerWaalsContact O-CB 3.32Å; E528-A532 WeakPolarHBondContact O-CB 3.44Å; E528-A532 PolarHBondContact O-N 3.1Å
529	M	98	Very high	98.2	Very high	14 Å²	14	65.2 Å²	65.2	7%	0.069	32%	0.318	C	S	.	.	H	α-helix	trans	-56.1	-49.1	176.2	-179.4	-175.8	72.8	0	0	111.9	M452 K455 L456 D525 F526 A532 Y533	M452-M529 HydrophobicContact CB-CG 4.35Å; M452-M529 HydrophobicContact CB-SD 4.4Å; M452-M529 HydrophobicContact CG-CG 4.22Å; M452-M529 HydrophobicContact CG-SD 3.82Å; K455-M529 HydrophobicContact CB-CG 4.4Å; K455-M529 HydrophobicContact CB-SD 3.82Å; L456-M529 HydrophobicContact CD2-CE 4.28Å; L456-M529 HydrophobicContact CD2-SD 4.33Å; L456-M529 HydrophobicContact CG-SD 4.28Å; D525-M529 WeakPolarHBondContact O-CB 3.49Å; D525-M529 PolarHBondContact O-N 2.96Å; F526-M529 HydrophobicContact CD1-CE 3.59Å; F526-M529 HydrophobicContact CE1-CE 3.81Å; F526-M529 HydrophobicContact CG-CE 4.21Å; M529-A532 PolarHBondContact O-N 3.5Å; M529-Y533 WeakPolarHBondContact O-CB 3.32Å; M529-Y533 PolarHBondContact O-N 3.39Å
530	M	98.4	Very high	98.2	Very high	78 Å²	78	63.4 Å²	63.4	38%	0.384	31%	0.31	S	S	.	.	H	α-helix	trans	-70.3	-37.2	-179.6	-67.1	-55.6	-61.4	0	0	112.2	M452 F526 K527 E528 I534	M452-M530 HydrophobicContact CE-SD 4.28Å; F526-M530 WeakPolarHBondContact O-CB 3.33Å; F526-M530 VanDerWaalsContact O-CG 3.23Å; F526-M530 WeakPolarHBondContact O-CG 3.2Å; F526-M530 PolarHBondContact O-N 3.42Å; K527-M530 PolarHBondContact O-N 3.11Å; E528-M530 PolarHBondContact O-N 2.89Å; M530-I534 WeakPolarHBondContact O-CB 3.4Å; M530-I534 VanDerWaalsContact O-CG1 3.28Å; M530-I534 WeakPolarHBondContact O-CG1 3.43Å; M530-I534 PolarHBondContact O-N 3.11Å
531	Q	98.5	Very high	98.3	Very high	96 Å²	96	66.2 Å²	66.2	45%	0.449	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-42.2	174.3	-76.8	-174.9	-15.5	0	0	112.2	K527 E528 K535	K527-Q531 WeakPolarHBondContact O-CB 3.26Å; K527-Q531 VanDerWaalsContact O-CG 3.27Å; K527-Q531 WeakPolarHBondContact O-CG 3.39Å; K527-Q531 PolarHBondContact O-N 3.49Å; E528-Q531 PolarHBondContact O-N 3.28Å; Q531-K535 WeakPolarHBondContact O-CB 3.41Å; Q531-K535 WeakPolarHBondContact O-CD 3.19Å; Q531-K535 WeakPolarHBondContact O-CG 3.38Å; Q531-K535 PolarHBondContact O-N 2.62Å; Q531-K535 VanDerWaalsContact O-N 3.1Å
532	A	98.1	Very high	98.3	Very high	51 Å²	51	70 Å²	70	42%	0.421	34%	0.338	S	S	.	.	H	α-helix	trans	-63.8	-49.6	176.5	0	0	0	0	0	111.1	E528 M529 I534 K535 Q536	E528-A532 VanDerWaalsContact O-CB 3.32Å; E528-A532 WeakPolarHBondContact O-CB 3.44Å; E528-A532 PolarHBondContact O-N 3.1Å; M529-A532 PolarHBondContact O-N 3.5Å; A532-I534 PolarHBondContact O-N 3.26Å; A532-K535 PolarHBondContact O-N 2.86Å; A532-Q536 WeakPolarHBondContact O-CG 3.37Å; A532-Q536 PolarHBondContact O-N 3.39Å
533	Y	98.5	Very high	98.3	Very high	49 Å²	49	71.8 Å²	71.8	19%	0.192	34%	0.344	C	S	.	.	H	α-helix	trans	-55.4	-51.6	177.6	176.8	-100.8	0	0	0	112.3	D448 L449 M452 M529 K535 Q536 Q537	D448-Y533 HydrophobicContact CB-CD2 3.91Å; D448-Y533 HydrophobicContact CB-CE2 4.41Å; L449-Y533 HydrophobicContact CD2-CE2 3.76Å; L449-Y533 HydrophobicContact CG-CE2 4.33Å; M452-Y533 HydrophobicContact CE-CD1 3.89Å; M452-Y533 HydrophobicContact CE-CD2 3.44Å; M452-Y533 VanDerWaalsContact CE-CD2 3.44Å; M452-Y533 HydrophobicContact CE-CE1 4.36Å; M452-Y533 HydrophobicContact CE-CE2 3.96Å; M452-Y533 HydrophobicContact CE-CG 3.42Å; M452-Y533 VanDerWaalsContact CE-CG 3.42Å; M529-Y533 WeakPolarHBondContact O-CB 3.32Å; M529-Y533 PolarHBondContact O-N 3.39Å; Y533-K535 PolarHBondContact O-N 2.77Å; Y533-Q536 PolarHBondContact O-N 2.94Å; Y533-Q537 HydrophobicContact CD1-CG 4.37Å; Y533-Q537 HydrophobicContact CD2-CG 4.39Å; Y533-Q537 HydrophobicContact CE1-CG 3.94Å; Y533-Q537 HydrophobicContact CE2-CG 3.95Å; Y533-Q537 WeakPolarHBondContact O-CG 3.44Å; Y533-Q537 PolarHBondContact O-N 3.22Å
534	I	98.6	Very high	98.3	Very high	89 Å²	89	68.2 Å²	68.2	46%	0.456	33%	0.329	S	S	.	.	H	α-helix	trans	-65	-41	-177.9	-66.9	169.2	0	0	0	111.4	M530 A532 Q536 Q537 I538	M530-I534 WeakPolarHBondContact O-CB 3.4Å; M530-I534 VanDerWaalsContact O-CG1 3.28Å; M530-I534 WeakPolarHBondContact O-CG1 3.43Å; M530-I534 PolarHBondContact O-N 3.11Å; A532-I534 PolarHBondContact O-N 3.26Å; I534-Q536 VanDerWaalsContact C-N 3.34Å; I534-Q536 PolarHBondContact O-N 3.22Å; I534-Q537 PolarHBondContact O-N 3.03Å; I534-I538 HydrophobicContact CG2-CD1 3.83Å; I534-I538 HydrophobicContact CG2-CG1 4.42Å; I534-I538 VanDerWaalsContact O-CG1 3.29Å; I534-I538 WeakPolarHBondContact O-CG1 3.48Å; I534-I538 PolarHBondContact O-N 3.33Å
535	K	98.6	Very high	98.4	Very high	138 Å²	138	66.5 Å²	66.5	60%	0.6	32%	0.323	S	S	*	.	H	α-helix	trans	-59.9	-43.5	176.1	-76.3	170.7	-179	177.6	0	112	Q531 A532 Y533 I538 A539	Q531-K535 WeakPolarHBondContact O-CB 3.41Å; Q531-K535 WeakPolarHBondContact O-CD 3.19Å; Q531-K535 WeakPolarHBondContact O-CG 3.38Å; Q531-K535 PolarHBondContact O-N 2.62Å; Q531-K535 VanDerWaalsContact O-N 3.1Å; A532-K535 PolarHBondContact O-N 2.86Å; Y533-K535 PolarHBondContact O-N 2.77Å; K535-I538 PolarHBondContact O-N 3.47Å; K535-A539 WeakPolarHBondContact O-CB 3.42Å; K535-A539 PolarHBondContact O-N 3.32Å
536	Q	98.4	Very high	98.4	Very high	69 Å²	69	70.3 Å²	70.3	32%	0.322	34%	0.341	S	S	.	.	H	α-helix	trans	-69.9	-38.7	-180	-68.6	-67.8	-2.2	0	0	112.3	Y447 D448 A532 Y533 I534 A539 F540	Y447-Q536 WeakPolarHBondContact O-CG 3.25Å; D448-Q536 HydrophobicContact CB-CB 3.84Å; D448-Q536 HydrophobicContact CB-CG 4.46Å; A532-Q536 WeakPolarHBondContact O-CG 3.37Å; A532-Q536 PolarHBondContact O-N 3.39Å; Y533-Q536 PolarHBondContact O-N 2.94Å; I534-Q536 VanDerWaalsContact C-N 3.34Å; I534-Q536 PolarHBondContact O-N 3.22Å; Q536-A539 PolarHBondContact O-N 2.93Å; Q536-F540 VanDerWaalsContact O-CB 3.29Å; Q536-F540 WeakPolarHBondContact O-CB 3.23Å; Q536-F540 PolarHBondContact O-N 3.27Å
537	Q	98.4	Very high	98.4	Very high	25 Å²	25	69.7 Å²	69.7	12%	0.117	34%	0.339	C	S	.	.	H	α-helix	trans	-62.7	-43	172.5	-72.6	-75.4	-61.4	0	0	111.9	D448 Y533 I534 F540 Y541	D448-Q537 PolarHBondContact OD2-NE2 3.08Å; Y533-Q537 HydrophobicContact CD1-CG 4.37Å; Y533-Q537 HydrophobicContact CD2-CG 4.39Å; Y533-Q537 HydrophobicContact CE1-CG 3.94Å; Y533-Q537 HydrophobicContact CE2-CG 3.95Å; Y533-Q537 WeakPolarHBondContact O-CG 3.44Å; Y533-Q537 PolarHBondContact O-N 3.22Å; I534-Q537 PolarHBondContact O-N 3.03Å; Q537-F540 WeakPolarHBondContact O-CB 3.33Å; Q537-F540 PolarHBondContact O-N 2.92Å; Q537-Y541 WeakPolarHBondContact O-CD2 3.13Å; Q537-Y541 PolarHBondContact O-N 3.29Å
538	I	98.7	Very high	98.4	Very high	91 Å²	91	66.5 Å²	66.5	47%	0.467	33%	0.328	S	S	.	.	H	α-helix	trans	-59	-51.6	174.1	-69.7	164.7	0	0	0	110.5	I534 K535 F540 Y541 Q542	I534-I538 HydrophobicContact CG2-CD1 3.83Å; I534-I538 HydrophobicContact CG2-CG1 4.42Å; I534-I538 VanDerWaalsContact O-CG1 3.29Å; I534-I538 WeakPolarHBondContact O-CG1 3.48Å; I534-I538 PolarHBondContact O-N 3.33Å; K535-I538 PolarHBondContact O-N 3.47Å; I538-F540 VanDerWaalsContact C-N 3.25Å; I538-F540 PolarHBondContact O-N 3.04Å; I538-Y541 PolarHBondContact O-N 3.21Å; I538-Q542 HydrophobicContact CG2-CG 4.42Å; I538-Q542 WeakPolarHBondContact O-CB 3.44Å; I538-Q542 VanDerWaalsContact O-CG 3.29Å; I538-Q542 WeakPolarHBondContact O-CG 3.47Å; I538-Q542 PolarHBondContact O-N 3.31Å
539	A	98.5	Very high	98.4	Very high	35 Å²	35	67.2 Å²	67.2	29%	0.289	33%	0.331	S	S	.	.	H	α-helix	trans	-62.8	-31.3	179.5	0	0	0	0	0	112.8	K535 Q536 R543	K535-A539 WeakPolarHBondContact O-CB 3.42Å; K535-A539 PolarHBondContact O-N 3.32Å; Q536-A539 PolarHBondContact O-N 2.93Å; A539-R543 VanDerWaalsContact O-CG 3.3Å; A539-R543 WeakPolarHBondContact O-CG 3.11Å; A539-R543 PolarHBondContact O-N 2.92Å; A539-R543 VanDerWaalsContact O-N 3.16Å; A539-R543 PolarHBondContact O-NE 3.45Å
540	F	98.5	Very high	98.3	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-66.6	-56.7	173.8	174.6	-106.5	0	0	0	112.2	M440 F441 Q444 Q536 Q537 I538 Q542 R543 V544	M440-F540 HydrophobicContact CB-CE2 4.08Å; F441-F540 HydrophobicContact CD1-CE1 4.02Å; F441-F540 AromaticContact CD1-CZ 3.65Å; F441-F540 HydrophobicContact CD1-CZ 3.65Å; F441-F540 AromaticContact CD2-CZ 3.81Å; F441-F540 HydrophobicContact CD2-CZ 3.81Å; F441-F540 AromaticContact CE1-CE1 3.58Å; F441-F540 HydrophobicContact CE1-CE1 3.58Å; F441-F540 AromaticContact CE1-CZ 3.64Å; F441-F540 HydrophobicContact CE1-CZ 3.64Å; F441-F540 HydrophobicContact CE2-CE1 4.17Å; F441-F540 AromaticContact CE2-CZ 3.79Å; F441-F540 HydrophobicContact CE2-CZ 3.79Å; F441-F540 AromaticContact CG-CZ 3.74Å; F441-F540 HydrophobicContact CG-CZ 3.74Å; F441-F540 AromaticContact CZ-CE1 3.65Å; F441-F540 HydrophobicContact CZ-CE1 3.65Å; F441-F540 AromaticContact CZ-CZ 3.71Å; F441-F540 HydrophobicContact CZ-CZ 3.71Å; Q444-F540 HydrophobicContact CB-CD2 3.88Å; Q444-F540 HydrophobicContact CB-CE2 3.84Å; Q444-F540 HydrophobicContact CB-CG 4.49Å; Q444-F540 HydrophobicContact CB-CZ 4.42Å; Q444-F540 HydrophobicContact CG-CB 4.25Å; Q444-F540 HydrophobicContact CG-CD1 4.31Å; Q444-F540 HydrophobicContact CG-CD2 3.65Å; Q444-F540 HydrophobicContact CG-CE2 4.05Å; Q444-F540 HydrophobicContact CG-CG 3.79Å; Q536-F540 VanDerWaalsContact O-CB 3.29Å; Q536-F540 WeakPolarHBondContact O-CB 3.23Å; Q536-F540 PolarHBondContact O-N 3.27Å; Q537-F540 WeakPolarHBondContact O-CB 3.33Å; Q537-F540 PolarHBondContact O-N 2.92Å; I538-F540 VanDerWaalsContact C-N 3.25Å; I538-F540 PolarHBondContact O-N 3.04Å; F540-Q542 VanDerWaalsContact C-N 3.27Å; F540-Q542 PolarHBondContact O-N 2.77Å; F540-R543 WeakPolarHBondContact O-CB 3.49Å; F540-R543 PolarHBondContact O-N 2.91Å; F540-V544 HydrophobicContact CD2-CG2 4.49Å; F540-V544 HydrophobicContact CE1-CG2 4.14Å; F540-V544 HydrophobicContact CE2-CG2 4.05Å; F540-V544 HydrophobicContact CZ-CG2 3.85Å; F540-V544 PolarHBondContact O-N 3.45Å
541	Y	98.5	Very high	98.3	Very high	122 Å²	122	70.4 Å²	70.4	48%	0.478	34%	0.339	S	S	.	.	H	α-helix	trans	-65.7	-30.3	-178.5	-70	-66.5	0	0	0	112.7	F441 Q537 I538 V544 G545	F441-Y541 HydrophobicContact CZ-CE1 4.41Å; Q537-Y541 WeakPolarHBondContact O-CD2 3.13Å; Q537-Y541 PolarHBondContact O-N 3.29Å; I538-Y541 PolarHBondContact O-N 3.21Å; Y541-V544 PolarHBondContact O-N 3.22Å; Y541-G545 PolarHBondContact O-N 3.29Å
542	Q	98.6	Very high	98.3	Very high	117 Å²	117	71 Å²	71	55%	0.547	35%	0.345	S	S	.	.	H	α-helix	trans	-62.6	-44.8	169.5	-75.2	175.1	-19.7	0	0	112.3	I538 F540 V544 G545 Q546	I538-Q542 HydrophobicContact CG2-CG 4.42Å; I538-Q542 WeakPolarHBondContact O-CB 3.44Å; I538-Q542 VanDerWaalsContact O-CG 3.29Å; I538-Q542 WeakPolarHBondContact O-CG 3.47Å; I538-Q542 PolarHBondContact O-N 3.31Å; F540-Q542 VanDerWaalsContact C-N 3.27Å; F540-Q542 PolarHBondContact O-N 2.77Å; Q542-V544 VanDerWaalsContact C-N 3.34Å; Q542-V544 PolarHBondContact O-N 2.94Å; Q542-G545 PolarHBondContact O-N 3.47Å; Q542-Q546 WeakPolarHBondContact O-CG 3.22Å; Q542-Q546 PolarHBondContact O-N 2.89Å
543	R	98.3	Very high	98.2	Very high	91 Å²	91	74.4 Å²	74.4	34%	0.343	35%	0.352	S	S	.	.	H	α-helix	trans	-62.8	-39.9	174.9	-75.1	-178.3	-65.3	157.4	1.1	111.9	M440 A539 F540 Q546 Q547	M440-R543 HydrophobicContact CE-CB 3.67Å; A539-R543 VanDerWaalsContact O-CG 3.3Å; A539-R543 WeakPolarHBondContact O-CG 3.11Å; A539-R543 PolarHBondContact O-N 2.92Å; A539-R543 VanDerWaalsContact O-N 3.16Å; A539-R543 PolarHBondContact O-NE 3.45Å; F540-R543 WeakPolarHBondContact O-CB 3.49Å; F540-R543 PolarHBondContact O-N 2.91Å; R543-Q546 PolarHBondContact O-N 3.49Å; R543-Q547 WeakPolarHBondContact O-CG 3.46Å; R543-Q547 PolarHBondContact O-N 3.42Å
544	V	98.3	Very high	98.1	Very high	17 Å²	17	75 Å²	75	10%	0.103	36%	0.357	C	S	.	.	H	α-helix	trans	-63	-45.5	175.1	174.6	0	0	0	0	110.9	I437 M440 F540 Y541 Q542 Q546 Q547 L548	I437-V544 HydrophobicContact CD1-CG1 4.17Å; I437-V544 HydrophobicContact CG1-CG1 4.33Å; I437-V544 HydrophobicContact CG2-CG1 4.23Å; M440-V544 HydrophobicContact CE-CG2 3.75Å; F540-V544 HydrophobicContact CD2-CG2 4.49Å; F540-V544 HydrophobicContact CE1-CG2 4.14Å; F540-V544 HydrophobicContact CE2-CG2 4.05Å; F540-V544 HydrophobicContact CZ-CG2 3.85Å; F540-V544 PolarHBondContact O-N 3.45Å; Y541-V544 PolarHBondContact O-N 3.22Å; Q542-V544 VanDerWaalsContact C-N 3.34Å; Q542-V544 PolarHBondContact O-N 2.94Å; V544-Q546 PolarHBondContact O-N 3.11Å; V544-Q547 WeakPolarHBondContact O-CB 3.3Å; V544-Q547 PolarHBondContact O-N 3.33Å; V544-Q547 VanDerWaalsContact O-N 3.16Å; V544-L548 HydrophobicContact CG1-CD1 4.35Å; V544-L548 PolarHBondContact O-N 3.36Å
545	G	98.4	Very high	98	Very high	25 Å²	25	74.5 Å²	74.5	26%	0.258	35%	0.35	S	S	.	.	H	α-helix	trans	-54.8	-48.2	174.9	0	0	0	0	0	112.4	Y541 Q542 Q547 L548 E549	Y541-G545 PolarHBondContact O-N 3.29Å; Q542-G545 PolarHBondContact O-N 3.47Å; G545-Q547 VanDerWaalsContact C-N 3.29Å; G545-Q547 PolarHBondContact O-N 3.5Å; G545-L548 WeakPolarHBondContact O-CB 3.49Å; G545-L548 PolarHBondContact O-N 3.2Å; G545-E549 WeakPolarHBondContact O-CG 3.31Å; G545-E549 PolarHBondContact O-N 3.42Å
546	Q	98.3	Very high	97.7	Very high	83 Å²	83	72.5 Å²	72.5	39%	0.388	35%	0.346	S	S	.	.	H	α-helix	trans	-61	-31.8	178	-70.1	171.1	18.2	0	0	114.1	Q542 R543 V544 R550	Q542-Q546 WeakPolarHBondContact O-CG 3.22Å; Q542-Q546 PolarHBondContact O-N 2.89Å; R543-Q546 PolarHBondContact O-N 3.49Å; V544-Q546 PolarHBondContact O-N 3.11Å; Q546-R550 WeakPolarHBondContact O-CD 3.34Å; Q546-R550 WeakPolarHBondContact O-CG 3.3Å; Q546-R550 PolarHBondContact O-N 3.06Å
547	Q	97.9	Very high	96.5	Very high	42 Å²	42	76.8 Å²	76.8	20%	0.196	37%	0.371	C	S	.	.	H	α-helix	trans	-68	-40.8	174.3	-66.5	-66	-41.6	0	0	111	T433 N436 I437 M440 R543 V544 G545 T551	T433-Q547 HydrophobicContact CG2-CB 4.04Å; N436-Q547 PolarHBondContact ND2-OE1 3Å; N436-Q547 VanDerWaalsContact ND2-OE1 3.09Å; I437-Q547 HydrophobicContact CD1-CB 4.34Å; I437-Q547 HydrophobicContact CG1-CB 4.31Å; M440-Q547 HydrophobicContact SD-CG 3.95Å; R543-Q547 WeakPolarHBondContact O-CG 3.46Å; R543-Q547 PolarHBondContact O-N 3.42Å; V544-Q547 WeakPolarHBondContact O-CB 3.3Å; V544-Q547 PolarHBondContact O-N 3.33Å; V544-Q547 VanDerWaalsContact O-N 3.16Å; G545-Q547 VanDerWaalsContact C-N 3.29Å; G545-Q547 PolarHBondContact O-N 3.5Å; Q547-T551 WeakPolarHBondContact O-CB 3.47Å; Q547-T551 PolarHBondContact O-N 3.29Å; Q547-T551 PolarHBondContact O-OG1 3.31Å
548	L	98.4	Very high	95.6	Very high	65 Å²	65	81 Å²	81	34%	0.34	39%	0.394	S	S	.	.	H	α-helix	trans	-69.7	-42.6	177.6	-62.5	172.6	0	0	0	111.8	T433 Y434 I437 V544 G545 T551 L552	T433-L548 HydrophobicContact CG2-CD2 4.43Å; Y434-L548 HydrophobicContact CE1-CD2 4.11Å; I437-L548 HydrophobicContact CD1-CD2 3.68Å; I437-L548 HydrophobicContact CD1-CG 4.02Å; V544-L548 HydrophobicContact CG1-CD1 4.35Å; V544-L548 PolarHBondContact O-N 3.36Å; G545-L548 WeakPolarHBondContact O-CB 3.49Å; G545-L548 PolarHBondContact O-N 3.2Å; L548-T551 WeakPolarHBondContact O-CB 3.48Å; L548-T551 PolarHBondContact O-N 2.98Å; L548-L552 WeakPolarHBondContact O-CB 3.46Å; L548-L552 PolarHBondContact O-N 2.89Å
549	E	98.1	Very high	95.4	Very high	115 Å²	115	80.6 Å²	80.6	54%	0.537	39%	0.39	S	S	.	.	H	α-helix	trans	-58.3	-48.6	175.6	-72.4	166.8	176.2	0	0	112	G545 T551 L552 H553	G545-E549 WeakPolarHBondContact O-CG 3.31Å; G545-E549 PolarHBondContact O-N 3.42Å; E549-T551 VanDerWaalsContact C-N 3.25Å; E549-T551 PolarHBondContact O-N 3.46Å; E549-L552 PolarHBondContact O-N 3.2Å; E549-H553 PolarHBondContact O-CD2 3.16Å; E549-H553 PolarHBondContact O-N 3.44Å
550	R	96.8	Very high	95.3	Very high	150 Å²	150	82.9 Å²	82.9	57%	0.566	40%	0.396	S	S	*	.	H	α-helix	trans	-60.2	-36.1	176.4	-71	169.9	-165.1	-179.3	6.2	112.9	Q546	Q546-R550 WeakPolarHBondContact O-CD 3.34Å; Q546-R550 WeakPolarHBondContact O-CG 3.3Å; Q546-R550 PolarHBondContact O-N 3.06Å
551	T	97.7	Very high	95.1	Very high	8 Å²	8	87.6 Å²	87.6	5%	0.049	42%	0.418	C	S	.	.	H	α-helix	trans	-72	-41.2	178.8	-60.4	0	0	0	0	111.3	T430 T433 Q547 L548 E549 H553 M554	T430-T551 HydrophobicContact CG2-CG2 4.3Å; T430-T551 WeakPolarHBondContact OG1-CG2 3.33Å; T433-T551 WeakPolarHBondContact CB-OG1 3.28Å; T433-T551 WeakPolarHBondContact CG2-OG1 3.5Å; T433-T551 PolarHBondContact OG1-OG1 3.47Å; Q547-T551 WeakPolarHBondContact O-CB 3.47Å; Q547-T551 PolarHBondContact O-N 3.29Å; Q547-T551 PolarHBondContact O-OG1 3.31Å; L548-T551 WeakPolarHBondContact O-CB 3.48Å; L548-T551 PolarHBondContact O-N 2.98Å; E549-T551 VanDerWaalsContact C-N 3.25Å; E549-T551 PolarHBondContact O-N 3.46Å; T551-H553 VanDerWaalsContact C-N 3.3Å; T551-H553 PolarHBondContact O-N 3.42Å; T551-M554 WeakPolarHBondContact O-CB 3.47Å; T551-M554 PolarHBondContact O-N 3.19Å; T551-M554 VanDerWaalsContact O-N 3.14Å
552	L	97.9	Very high	94.9	Very high	110 Å²	110	85.5 Å²	85.5	58%	0.576	41%	0.414	S	S	*	.	H	α-helix	trans	-58.6	-42.1	177.5	-179.9	61	0	0	0	111.6	L548 E549 M554 Y555	L548-L552 WeakPolarHBondContact O-CB 3.46Å; L548-L552 PolarHBondContact O-N 2.89Å; E549-L552 PolarHBondContact O-N 3.2Å; L552-M554 PolarHBondContact O-N 3.38Å; L552-Y555 WeakPolarHBondContact O-CB 3.34Å; L552-Y555 PolarHBondContact O-N 3.26Å
553	H	97	Very high	94.7	Very high	121 Å²	121	83.6 Å²	83.6	56%	0.56	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-60.8	-15.9	178.3	-72.2	-50.4	0	0	0	115.1	E549 T551 Y555 D556	E549-H553 PolarHBondContact O-CD2 3.16Å; E549-H553 PolarHBondContact O-N 3.44Å; T551-H553 VanDerWaalsContact C-N 3.3Å; T551-H553 PolarHBondContact O-N 3.42Å; H553-Y555 PolarHBondContact O-N 3.46Å; H553-D556 WeakPolarHBondContact CA-OD2 3.4Å; H553-D556 IonicContact CE1-OD2 3.83Å; H553-D556 IonicContact CG-OD2 3.11Å; H553-D556 IonicContact ND1-OD2 3.91Å; H553-D556 PolarHBondContact ND1-OD2 3.04Å; H553-D556 PolarHBondContact O-N 3.36Å
554	M	95.9	Very high	94.4	Very high	61 Å²	61	83.1 Å²	83.1	30%	0.3	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-71.5	-11.7	172.5	-62.1	-167.6	65	0	0	113.5	T425 A426 H429 T551 L552	T425-M554 HydrophobicContact CG2-CE 3.98Å; A426-M554 HydrophobicContact CB-CB 3.85Å; H429-M554 HydrophobicContact CB-CE 3.86Å; H429-M554 HydrophobicContact CB-SD 3.41Å; H429-M554 WeakPolarHBondContact CB-SD 3.44Å; H429-M554 PolarHBondContact CD2-SD 3.28Å; H429-M554 PolarHBondContact ND1-SD 3.18Å; T551-M554 WeakPolarHBondContact O-CB 3.47Å; T551-M554 PolarHBondContact O-N 3.19Å; T551-M554 VanDerWaalsContact O-N 3.14Å; L552-M554 PolarHBondContact O-N 3.38Å
555	Y	96.9	Very high	94.2	Very high	80 Å²	80	87.8 Å²	87.8	31%	0.314	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-98.8	-6.8	179	-63.6	-92.4	0	0	0	113.7	L423 A426 I427 T430 L552 H553 N557 L558	L423-Y555 HydrophobicContact CD1-CD1 4.3Å; L423-Y555 HydrophobicContact CD1-CE1 4.07Å; A426-Y555 HydrophobicContact CB-CD1 4.04Å; A426-Y555 HydrophobicContact CB-CD2 4.25Å; A426-Y555 HydrophobicContact CB-CE1 3.73Å; A426-Y555 HydrophobicContact CB-CE2 3.96Å; A426-Y555 HydrophobicContact CB-CG 4.3Å; A426-Y555 PolarHBondContact O-OH 3.04Å; I427-Y555 WeakPolarHBondContact CA-OH 3.07Å; I427-Y555 HydrophobicContact CG1-CE1 4.23Å; I427-Y555 PolarHBondContact N-OH 3.17Å; T430-Y555 WeakPolarHBondContact OG1-CE2 3.34Å; T430-Y555 PolarHBondContact OG1-OH 3.2Å; L552-Y555 WeakPolarHBondContact O-CB 3.34Å; L552-Y555 PolarHBondContact O-N 3.26Å; H553-Y555 PolarHBondContact O-N 3.46Å; Y555-N557 VanDerWaalsContact C-N 3.3Å; Y555-N557 PolarHBondContact O-N 3.34Å; Y555-L558 HydrophobicContact CD1-CD1 3.59Å; Y555-L558 HydrophobicContact CE1-CD1 4.35Å; Y555-L558 HydrophobicContact CG-CD1 4.15Å
556	D	91.4	Very high	93.8	Very high	96 Å²	96	92.6 Å²	92.6	51%	0.513	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-16.9	-170.6	-71.2	-17.6	0	0	0	114.6	H553	H553-D556 WeakPolarHBondContact CA-OD2 3.4Å; H553-D556 IonicContact CE1-OD2 3.83Å; H553-D556 IonicContact CG-OD2 3.11Å; H553-D556 IonicContact ND1-OD2 3.91Å; H553-D556 PolarHBondContact ND1-OD2 3.04Å; H553-D556 PolarHBondContact O-N 3.36Å
557	N	73.9	Confident	93.5	Very high	158 Å²	158	93.4 Å²	93.4	85%	0.845	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.5	42	-173.6	-61	-83.4	0	0	0	112.7	Y555	Y555-N557 VanDerWaalsContact C-N 3.3Å; Y555-N557 PolarHBondContact O-N 3.34Å
558	L	79.3	Confident	93	Very high	115 Å²	115	98.1 Å²	98.1	60%	0.602	47%	0.473	S	S	*	.			trans	-96.1	0	-177.1	-65.5	-176.3	0	0	0	114.5	L423 A426 Y555	L423-L558 HydrophobicContact CB-CD1 4.19Å; L423-L558 HydrophobicContact CD1-CD1 3.77Å; A426-L558 HydrophobicContact CB-CD1 4.11Å; Y555-L558 HydrophobicContact CD1-CD1 3.59Å; Y555-L558 HydrophobicContact CE1-CD1 4.35Å; Y555-L558 HydrophobicContact CG-CD1 4.15Å

Retrieved 558 of 558 residues in 1061.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).