A0A087Y259_POEFO Loading...

N-glycosylase/DNA lyase

DNA repair enzyme that incises DNA at 8-oxoG residues. Excises 7,8-dihydro-8-oxoguanine and 2,6-diamino-4-hydroxy-5-N-methylformamidopyrimidine (FAPY) from damaged DNA. Has a beta-lyase activity that nicks DNA 3' to the lesion.

AlphaFold DB , UniProt , Accession A0A087Y259, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 388 aa.

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(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	62.2	Low	76.1	Confident	185 Å²	185	78.5 Å²	78.5	91%	0.911	50%	0.503	S	S	*	.				0	132	0	-82	-175.3	-90.3	0	0	108.5
2	A	84.7	Confident	75.2	Confident	53 Å²	53	76.6 Å²	76.6	44%	0.438	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-66.2	148.5	172.4	0	0	0	0	0	109.4	L180 D181	A2-L180 HydrophobicContact CB-CD2 3.63Å; A2-L180 CarbonylContact O-C 3.54Å; A2-L180 WeakPolarHBondContact O-CA 3.37Å; A2-D181 PolarHBondContact O-N 3.09Å
3	K	90.4	Very high	75.7	Confident	141 Å²	141	82.1 Å²	82.1	61%	0.613	50%	0.504	S	S	*	.			trans	-108.6	154.3	176.6	-59.2	-168.8	176.1	-180	0	110.2	A5 K12 D181	K3-A5 PolarHBondContact O-N 3.27Å; K3-K12 PolarHBondContact O-NZ 3.33Å; K3-D181 WeakPolarHBondContact CG-OD1 3.33Å
4	H	93.3	Very high	76.8	Confident	24 Å²	24	78.9 Å²	78.9	11%	0.111	48%	0.478	C	S	.	.			trans	-54	135.8	167.6	-66.6	86.8	0	0	0	110.3	N41 T47 Y69 L180 D181 Y185	H4-N41 HydrophobicContact CB-CB 4.37Å; H4-N41 PolarHBondContact NE2-ND2 2.93Å; H4-T47 PolarHBondContact CD2-OG1 3.36Å; H4-Y69 WeakPolarHBondContact CA-OH 3.31Å; H4-L180 PolarHBondContact CE1-O 2.93Å; H4-D181 IonicContact CE1-OD2 2.73Å; H4-D181 IonicContact CG-OD2 3.64Å; H4-D181 PolarHBondContact N-OD2 3.47Å; H4-D181 IonicContact ND1-OD2 3.69Å; H4-D181 PolarHBondContact ND1-OD2 3.15Å; H4-Y185 AromaticContact NE2-CE2 3.57Å; H4-Y185 AromaticContact NE2-CZ 3.57Å; H4-Y185 PolarHBondContact NE2-OH 3.39Å
5	A	91.6	Very high	78	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.008	46%	0.462	C	S	.	.			trans	-76.6	136.5	178.9	0	0	0	0	0	110	K3 K12 W14 Y67 Y69	K3-A5 PolarHBondContact O-N 3.27Å; A5-K12 VanDerWaalsContact CA-NZ 3.27Å; A5-K12 HydrophobicContact CB-CD 3.61Å; A5-W14 HydrophobicContact CB-CH2 4.35Å; A5-W14 HydrophobicContact CB-CZ2 3.65Å; A5-Y67 HydrophobicContact CB-CD1 3.7Å; A5-Y67 HydrophobicContact CB-CE1 4.28Å; A5-Y67 HydrophobicContact CB-CG 3.91Å; A5-Y69 WeakPolarHBondContact CB-OH 3.37Å; A5-Y69 PolarHBondContact N-OH 2.69Å
6	V	91.5	Very high	79	Confident	41 Å²	41	76.6 Å²	76.6	25%	0.248	46%	0.459	C	S	.	.			trans	-128.8	132.2	171.7	-175.1	0	0	0	0	107.4	S8 S9 A42	V6-S8 WeakPolarHBondContact CG1-OG 3.22Å; V6-S8 PolarHBondContact O-N 3.48Å; V6-S9 PolarHBondContact O-N 2.8Å; V6-S9 PolarHBondContact O-OG 2.91Å; V6-A42 HydrophobicContact CG2-CB 3.86Å
7	L	85.3	Confident	80.1	Confident	65 Å²	65	72.5 Å²	72.5	34%	0.34	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	69.6	178.7	-171.5	71.1	0	0	0	109.7	W14 H45 T58 W65	L7-W14 HydrophobicContact CB-CH2 4.48Å; L7-W14 HydrophobicContact CB-CZ2 4.11Å; L7-W14 HydrophobicContact CD1-CB 4.1Å; L7-W14 HydrophobicContact CD1-CD2 3.75Å; L7-W14 HydrophobicContact CD1-CE3 4.3Å; L7-W14 HydrophobicContact CD1-CG 3.65Å; L7-H45 WeakPolarHBondContact CB-NE2 3.21Å; L7-H45 PolarHBondContact N-NE2 3.13Å; L7-T58 HydrophobicContact CB-CG2 3.83Å; L7-T58 HydrophobicContact CD2-CG2 3.72Å; L7-T58 HydrophobicContact CG-CG2 4.36Å; L7-W65 HydrophobicContact CD1-CD2 4.38Å; L7-W65 HydrophobicContact CD1-CE3 4.31Å; L7-W65 HydrophobicContact CD2-CB 4.25Å; L7-W65 HydrophobicContact CD2-CD2 4.13Å; L7-W65 HydrophobicContact CD2-CG 3.82Å
8	S	75.3	Confident	81	Confident	108 Å²	108	75.3 Å²	75.3	76%	0.755	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-173.5	-14.3	176.9	57	0	0	0	0	111.9	V6	V6-S8 WeakPolarHBondContact CG1-OG 3.22Å; V6-S8 PolarHBondContact O-N 3.48Å
9	S	54	Low	81.9	Confident	59 Å²	59	72.1 Å²	72.1	41%	0.413	44%	0.435	S	S	.	.	S	Bend	trans	-96.2	126.4	177.8	58.8	0	0	0	0	111.9	V6	V6-S9 PolarHBondContact O-N 2.8Å; V6-S9 PolarHBondContact O-OG 2.91Å
10	G	53.6	Low	82.7	Confident	75 Å²	75	70.3 Å²	70.3	77%	0.773	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	149.2	176.9	0	0	0	0	0	113.2
11	A	55.3	Low	83.4	Confident	111 Å²	111	69.9 Å²	69.9	92%	0.917	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	28.1	175.1	0	0	0	0	0	118.3
12	K	65.4	Low	85	Confident	56 Å²	56	64.1 Å²	64.1	24%	0.243	40%	0.399	C	S	.	.			trans	-117.8	125.5	162.5	-71.7	-174.3	177.3	-177.1	0	110.4	K3 A5 W14 Y67	K3-K12 PolarHBondContact O-NZ 3.33Å; A5-K12 VanDerWaalsContact CA-NZ 3.27Å; A5-K12 HydrophobicContact CB-CD 3.61Å; K12-W14 VanDerWaalsContact C-N 3.31Å; K12-W14 PolarHBondContact O-N 2.75Å; K12-Y67 HydrophobicContact CB-CD2 3.97Å; K12-Y67 HydrophobicContact CB-CE2 3.66Å; K12-Y67 HydrophobicContact CD-CE1 4.41Å; K12-Y67 HydrophobicContact CD-CE2 4.09Å; K12-Y67 HydrophobicContact CG-CE2 3.96Å
13	L	81.4	Confident	85.7	Confident	148 Å²	148	63.6 Å²	63.6	78%	0.775	39%	0.387	S	S	*	.			trans	-71.4	86.7	174.8	-87.1	112.1	0	0	0	109.8
14	W	91.5	Very high	86	Confident	37 Å²	37	57 Å²	57	14%	0.14	36%	0.358	C	S	.	.			trans	-71.2	142.8	164.8	-73.6	87.1	0	0	0	110	A5 L7 K12 H45 T56 T58 W65 Y66	A5-W14 HydrophobicContact CB-CH2 4.35Å; A5-W14 HydrophobicContact CB-CZ2 3.65Å; L7-W14 HydrophobicContact CB-CH2 4.48Å; L7-W14 HydrophobicContact CB-CZ2 4.11Å; L7-W14 HydrophobicContact CD1-CB 4.1Å; L7-W14 HydrophobicContact CD1-CD2 3.75Å; L7-W14 HydrophobicContact CD1-CE3 4.3Å; L7-W14 HydrophobicContact CD1-CG 3.65Å; K12-W14 VanDerWaalsContact C-N 3.31Å; K12-W14 PolarHBondContact O-N 2.75Å; W14-H45 AromaticContact CH2-CD2 3.84Å; W14-T56 HydrophobicContact CH2-CG2 3.85Å; W14-T58 HydrophobicContact CH2-CG2 4.07Å; W14-T58 HydrophobicContact CZ3-CG2 3.9Å; W14-W65 HydrophobicContact CB-CE3 4.16Å; W14-W65 HydrophobicContact CE3-CB 3.9Å; W14-W65 HydrophobicContact CZ3-CB 4.2Å; W14-Y66 VanDerWaalsContact CE3-C 3.42Å
15	R	94.1	Very high	86.2	Confident	63 Å²	63	57.8 Å²	57.8	24%	0.238	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	165.6	173.5	-65.7	169.8	178.8	163.5	-0.5	108.7	W65 Y66 S96 E99	R15-W65 CarbonylContact O-C 3.59Å; R15-W65 WeakPolarHBondContact O-CA 3.4Å; R15-Y66 HydrophobicContact CB-CD1 4.01Å; R15-Y66 HydrophobicContact CB-CD2 4.11Å; R15-Y66 HydrophobicContact CB-CE1 3.47Å; R15-Y66 VanDerWaalsContact CB-CE1 3.47Å; R15-Y66 HydrophobicContact CB-CE2 3.6Å; R15-Y66 HydrophobicContact CB-CG 4.31Å; R15-Y66 HydrophobicContact CG-CE2 4.26Å; R15-Y66 PolarHBondContact N-O 3.46Å; R15-Y66 WeakPolarHBondContact O-CD1 3.25Å; R15-Y66 PolarHBondContact O-N 3.38Å; R15-S96 WeakPolarHBondContact CD-OG 3.24Å; R15-S96 PolarHBondContact NE-OG 2.73Å; R15-E99 IonicContact CZ-OE2 3.7Å; R15-E99 IonicContact NH1-OE1 3.67Å; R15-E99 PolarHBondContact NH1-OE1 2.77Å; R15-E99 VanDerWaalsContact NH1-OE1 3.13Å; R15-E99 IonicContact NH1-OE2 3.82Å; R15-E99 PolarHBondContact NH1-OE2 3.04Å
16	S	94.8	Very high	86.6	Confident	59 Å²	59	57.8 Å²	57.8	41%	0.413	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	150.1	-173.1	58.3	0	0	0	0	113.3	L64	S16-L64 CarbonylContact C-O 3.6Å; S16-L64 VanDerWaalsContact CA-O 3.25Å; S16-L64 WeakPolarHBondContact CA-O 3.41Å
17	L	97	Very high	86.8	Confident	7 Å²	7	58.7 Å²	58.7	4%	0.037	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.4	168.4	-61.3	175.7	0	0	0	109.3	C19 L64 Y66 A100 L103 R104 L109	L17-C19 PolarHBondContact O-N 3.24Å; L17-C19 VanDerWaalsContact O-N 3.13Å; L17-L64 HydrophobicContact CB-CB 4.48Å; L17-L64 HydrophobicContact CD1-CD2 4.4Å; L17-L64 PolarHBondContact N-O 2.99Å; L17-L64 PolarHBondContact O-N 2.96Å; L17-Y66 HydrophobicContact CD2-CE1 4.46Å; L17-Y66 HydrophobicContact CG-CD1 4.47Å; L17-Y66 HydrophobicContact CG-CE1 4.02Å; L17-A100 HydrophobicContact CD2-CB 3.74Å; L17-L103 HydrophobicContact CD1-CB 3.85Å; L17-L103 HydrophobicContact CD1-CD1 4.22Å; L17-R104 HydrophobicContact CD1-CG 4.34Å; L17-L109 HydrophobicContact CD1-CD1 4.27Å
18	P	97.5	Very high	87.3	Confident	122 Å²	122	55.6 Å²	55.6	79%	0.792	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59	117.4	167.7	-20.5	32.4	0	0	0	109.4
19	C	98.1	Very high	88.4	Confident	14 Å²	14	50.4 Å²	50.4	10%	0.095	31%	0.309	C	S	.	.			trans	-162.1	105.8	-177.4	-168.6	0	0	0	0	110.1	L17 L24 D62 T63 L64	L17-C19 PolarHBondContact O-N 3.24Å; L17-C19 VanDerWaalsContact O-N 3.13Å; C19-L24 VanDerWaalsContact SG-CB 3.58Å; C19-D62 CarbonylContact C-O 3.51Å; C19-D62 VanDerWaalsContact C-O 3.23Å; C19-D62 PolarHBondContact N-O 3.39Å; C19-D62 CarbonylContact O-C 3.52Å; C19-T63 PolarHBondContact O-N 2.86Å; C19-L64 HydrophobicContact CB-CB 3.84Å
20	A	97.8	Very high	90.5	Very high	36 Å²	36	47.9 Å²	47.9	30%	0.298	29%	0.291	S	S	.	.			trans	-70.9	150.2	178	0	0	0	0	0	112.5	S22 E23 L24 E61	A20-S22 PolarHBondContact O-N 3.48Å; A20-S22 VanDerWaalsContact O-N 3.11Å; A20-E23 WeakPolarHBondContact O-CA 3.39Å; A20-E23 WeakPolarHBondContact O-CB 3.4Å; A20-E23 PolarHBondContact O-N 2.75Å; A20-L24 PolarHBondContact O-N 3.39Å; A20-E61 CarbonylContact C-O 3.08Å; A20-E61 VanDerWaalsContact CA-O 3.3Å; A20-E61 WeakPolarHBondContact CA-O 3.42Å
21	K	96.8	Very high	92.5	Very high	62 Å²	62	45.1 Å²	45.1	27%	0.27	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.1	173.5	-76.4	-173.4	-175.8	168.8	0	113.4	E23 L24 R25 T60 E61 G136	K21-E23 PolarHBondContact O-N 3.04Å; K21-L24 WeakPolarHBondContact CA-O 3.11Å; K21-L24 CarbonylContact O-C 3.54Å; K21-R25 HydrophobicContact CB-CG 4.2Å; K21-R25 WeakPolarHBondContact O-CG 3.29Å; K21-T60 VanDerWaalsContact CE-O 3.25Å; K21-T60 WeakPolarHBondContact CE-O 3.46Å; K21-E61 WeakPolarHBondContact CE-OE1 3.23Å; K21-E61 PolarHBondContact N-O 3.5Å; K21-E61 IonicContact NZ-OE1 3.26Å; K21-E61 PolarHBondContact NZ-OE1 2.85Å; K21-G136 WeakPolarHBondContact O-CA 3.26Å
22	S	96.2	Very high	94.2	Very high	65 Å²	65	39.9 Å²	39.9	46%	0.455	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.7	171.7	56.4	0	0	0	0	112.8	A20 G136	A20-S22 PolarHBondContact O-N 3.48Å; A20-S22 VanDerWaalsContact O-N 3.11Å; S22-G136 WeakPolarHBondContact O-CA 3.45Å; S22-G136 PolarHBondContact O-N 3.39Å
23	E	98.1	Very high	95.6	Very high	42 Å²	42	37.8 Å²	37.8	20%	0.196	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-31.5	179.6	-68.6	-62.7	125.9	0	0	112.6	A20 K21 L113 G114 R138	A20-E23 WeakPolarHBondContact O-CA 3.39Å; A20-E23 WeakPolarHBondContact O-CB 3.4Å; A20-E23 PolarHBondContact O-N 2.75Å; K21-E23 PolarHBondContact O-N 3.04Å; E23-L113 WeakPolarHBondContact O-CD2 3.4Å; E23-L113 PolarHBondContact OE1-N 2.98Å; E23-L113 WeakPolarHBondContact OE2-CB 3.48Å; E23-L113 PolarHBondContact OE2-N 3.21Å; E23-G114 PolarHBondContact OE1-N 3.23Å; E23-R138 VanDerWaalsContact O-CZ 3.29Å; E23-R138 PolarHBondContact O-NE 2.96Å; E23-R138 PolarHBondContact O-NH2 2.9Å; E23-R138 IonicContact OE2-CZ 3.38Å; E23-R138 IonicContact OE2-NH2 3.28Å; E23-R138 PolarHBondContact OE2-NH2 3.28Å
24	L	98.3	Very high	96.3	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	18%	0.175	C	C	.	.			trans	-152.2	126.2	177.3	178.2	63.9	0	0	0	111.2	C19 A20 K21 L26 T29 Q59 L64 F107 G136 R138	C19-L24 VanDerWaalsContact SG-CB 3.58Å; A20-L24 PolarHBondContact O-N 3.39Å; K21-L24 WeakPolarHBondContact CA-O 3.11Å; K21-L24 CarbonylContact O-C 3.54Å; L24-L26 HydrophobicContact CD2-CD2 4.17Å; L24-T29 HydrophobicContact CD1-CG2 4.07Å; L24-Q59 PolarHBondContact O-OE1 2.82Å; L24-Q59 VanDerWaalsContact O-OE1 3.14Å; L24-L64 HydrophobicContact CD2-CD1 4.44Å; L24-L64 HydrophobicContact CD2-CD2 4.09Å; L24-F107 HydrophobicContact CD1-CD1 3.7Å; L24-F107 HydrophobicContact CD1-CE1 3.96Å; L24-F107 HydrophobicContact CD1-CG 4.46Å; L24-F107 HydrophobicContact CD2-CB 4.48Å; L24-F107 HydrophobicContact CD2-CD1 3.87Å; L24-F107 HydrophobicContact CD2-CD2 4.19Å; L24-F107 HydrophobicContact CD2-CE1 4.07Å; L24-F107 HydrophobicContact CD2-CE2 4.37Å; L24-F107 HydrophobicContact CD2-CG 3.95Å; L24-F107 HydrophobicContact CD2-CZ 4.32Å; L24-F107 HydrophobicContact CG-CD1 4.47Å; L24-G136 CarbonylContact C-O 3.6Å; L24-G136 WeakPolarHBondContact CA-O 3.41Å; L24-R138 HydrophobicContact CD1-CB 4.06Å
25	R	97.8	Very high	96.5	Very high	42 Å²	42	29.2 Å²	29.2	16%	0.158	17%	0.17	C	C	.	.			trans	-114.7	108.8	163.8	-75.6	-179.3	60.1	-169.2	-3.8	109.4	K21 E27 L28 T29 I133 T135 G136	K21-R25 HydrophobicContact CB-CG 4.2Å; K21-R25 WeakPolarHBondContact O-CG 3.29Å; R25-E27 VanDerWaalsContact C-N 3.32Å; R25-E27 PolarHBondContact O-N 3.08Å; R25-L28 HydrophobicContact CB-CB 4.2Å; R25-L28 HydrophobicContact CB-CD1 4.3Å; R25-L28 HydrophobicContact CB-CG 4.18Å; R25-L28 VanDerWaalsContact CZ-CD1 3.45Å; R25-L28 PolarHBondContact O-N 3.04Å; R25-T29 VanDerWaalsContact O-CB 3.31Å; R25-T29 WeakPolarHBondContact O-CB 3.25Å; R25-T29 PolarHBondContact O-N 3.35Å; R25-T29 PolarHBondContact O-OG1 3.16Å; R25-I133 PolarHBondContact NH1-O 2.92Å; R25-I133 VanDerWaalsContact NH1-O 3.1Å; R25-T135 VanDerWaalsContact CD-O 3.24Å; R25-T135 WeakPolarHBondContact CD-O 3.4Å; R25-G136 PolarHBondContact N-O 3.22Å
26	L	98.2	Very high	96.7	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-51.2	-49.3	-179.6	-69.5	175.6	0	0	0	112.3	L24 L28 T29 L30 W46 L57 Q59 L64 F107	L24-L26 HydrophobicContact CD2-CD2 4.17Å; L26-L28 PolarHBondContact O-N 3.24Å; L26-T29 PolarHBondContact O-N 3.35Å; L26-L30 HydrophobicContact CB-CD1 4.28Å; L26-L30 HydrophobicContact CD2-CD1 3.89Å; L26-L30 HydrophobicContact CD2-CG 4.45Å; L26-L30 VanDerWaalsContact O-CB 3.27Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 WeakPolarHBondContact O-CG 3.21Å; L26-L30 PolarHBondContact O-N 3.04Å; L26-W46 HydrophobicContact CB-CG 4.41Å; L26-L57 HydrophobicContact CD1-CB 3.93Å; L26-L57 HydrophobicContact CD2-CB 4.25Å; L26-L57 HydrophobicContact CD2-CD1 4.06Å; L26-Q59 HydrophobicContact CD1-CB 4.08Å; L26-Q59 HydrophobicContact CD1-CG 4.04Å; L26-Q59 HydrophobicContact CG-CG 4.32Å; L26-Q59 VanDerWaalsContact N-OE1 3.1Å; L26-L64 HydrophobicContact CD1-CD1 3.98Å; L26-L64 HydrophobicContact CD2-CD1 3.98Å; L26-L64 HydrophobicContact CG-CD1 4.25Å; L26-F107 HydrophobicContact CD2-CE1 4.34Å; L26-F107 HydrophobicContact CD2-CZ 3.91Å
27	E	96.2	Very high	96.8	Very high	59 Å²	59	24.9 Å²	24.9	28%	0.276	14%	0.144	S	C	.	.	H	α-helix	trans	-58	-47.2	-178.9	-172.7	-162.2	174.4	0	0	112.7	R25 T29 A31 W46 F331	R25-E27 VanDerWaalsContact C-N 3.32Å; R25-E27 PolarHBondContact O-N 3.08Å; E27-T29 VanDerWaalsContact C-N 3.35Å; E27-A31 WeakPolarHBondContact O-CB 3.4Å; E27-A31 PolarHBondContact O-N 2.82Å; E27-W46 HydrophobicContact CB-CZ2 3.97Å; E27-W46 HydrophobicContact CG-CZ2 3.95Å; E27-F331 HydrophobicContact CG-CE1 4.02Å
28	L	97	Very high	96.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-74.4	-28	-178.4	-59.3	-173.5	0	0	0	112.4	R25 L26 C32 F134 V137 C325 F331 L334	R25-L28 HydrophobicContact CB-CB 4.2Å; R25-L28 HydrophobicContact CB-CD1 4.3Å; R25-L28 HydrophobicContact CB-CG 4.18Å; R25-L28 VanDerWaalsContact CZ-CD1 3.45Å; R25-L28 PolarHBondContact O-N 3.04Å; L26-L28 PolarHBondContact O-N 3.24Å; L28-C32 WeakPolarHBondContact O-CB 3.39Å; L28-C32 PolarHBondContact O-SG 3.44Å; L28-F134 HydrophobicContact CD1-CD1 4.03Å; L28-F134 HydrophobicContact CD2-CD1 4.33Å; L28-F134 HydrophobicContact CD2-CE1 4.39Å; L28-V137 HydrophobicContact CB-CG2 3.89Å; L28-V137 HydrophobicContact CD1-CG2 3.8Å; L28-C325 PolarHBondContact O-SG 2.89Å; L28-F331 HydrophobicContact CD2-CD1 3.7Å; L28-F331 HydrophobicContact CD2-CD2 4.25Å; L28-F331 HydrophobicContact CD2-CE1 3.74Å; L28-F331 HydrophobicContact CD2-CE2 4.28Å; L28-F331 HydrophobicContact CD2-CG 3.96Å; L28-F331 HydrophobicContact CD2-CZ 4.02Å; L28-L334 HydrophobicContact CD2-CD1 3.91Å
29	T	97.7	Very high	96.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-85.3	-46.2	-177.1	-60.7	0	0	0	0	111.5	L24 R25 L26 E27 C32 F107 G136 R138 L140	L24-T29 HydrophobicContact CD1-CG2 4.07Å; R25-T29 VanDerWaalsContact O-CB 3.31Å; R25-T29 WeakPolarHBondContact O-CB 3.25Å; R25-T29 PolarHBondContact O-N 3.35Å; R25-T29 PolarHBondContact O-OG1 3.16Å; L26-T29 PolarHBondContact O-N 3.35Å; E27-T29 VanDerWaalsContact C-N 3.35Å; T29-C32 PolarHBondContact O-SG 3.05Å; T29-F107 HydrophobicContact CG2-CE1 4.4Å; T29-G136 PolarHBondContact OG1-O 3.16Å; T29-R138 HydrophobicContact CG2-CB 4.44Å; T29-R138 WeakPolarHBondContact CG2-O 3.39Å; T29-R138 PolarHBondContact OG1-N 3.48Å; T29-L140 HydrophobicContact CG2-CD2 3.69Å; T29-L140 HydrophobicContact CG2-CG 4.1Å
30	L	97.6	Very high	96.8	Very high	5 Å²	5	25 Å²	25	3%	0.026	13%	0.13	C	C	.	.	H	α-helix	trans	-83.6	-19.2	-173.3	-59.1	-177.9	0	0	0	113.7	L26 T35 W38 W46 F107 L140	L26-L30 HydrophobicContact CB-CD1 4.28Å; L26-L30 HydrophobicContact CD2-CD1 3.89Å; L26-L30 HydrophobicContact CD2-CG 4.45Å; L26-L30 VanDerWaalsContact O-CB 3.27Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 WeakPolarHBondContact O-CG 3.21Å; L26-L30 PolarHBondContact O-N 3.04Å; L30-T35 HydrophobicContact CD2-CG2 4.33Å; L30-W38 HydrophobicContact CB-CB 4.09Å; L30-W38 HydrophobicContact CB-CG 4.24Å; L30-W38 HydrophobicContact CD1-CB 4.3Å; L30-W38 HydrophobicContact CD1-CD2 3.78Å; L30-W38 HydrophobicContact CD1-CE3 3.92Å; L30-W38 HydrophobicContact CD1-CG 3.96Å; L30-W38 HydrophobicContact CD2-CD2 4.12Å; L30-W38 HydrophobicContact CD2-CG 3.94Å; L30-W38 HydrophobicContact CG-CD2 4.48Å; L30-W38 HydrophobicContact CG-CG 4.27Å; L30-W46 HydrophobicContact CB-CD2 4.3Å; L30-W46 HydrophobicContact CB-CE3 3.81Å; L30-W46 HydrophobicContact CB-CZ3 4.11Å; L30-W46 HydrophobicContact CD1-CB 3.66Å; L30-W46 HydrophobicContact CD1-CD2 3.97Å; L30-W46 HydrophobicContact CD1-CE3 4.08Å; L30-W46 HydrophobicContact CD1-CG 3.78Å; L30-F107 HydrophobicContact CD2-CE1 3.98Å; L30-F107 HydrophobicContact CD2-CZ 4.22Å; L30-L140 HydrophobicContact CD2-CD1 4.3Å; L30-L140 HydrophobicContact CD2-CD2 4.48Å
31	A	94.9	Very high	96.5	Very high	17 Å²	17	26.2 Å²	26.2	14%	0.14	13%	0.132	C	C	.	.	S	Bend	trans	-112.7	9.2	-179.7	0	0	0	0	0	115.1	E27 G33 W46 K330 F331	E27-A31 WeakPolarHBondContact O-CB 3.4Å; E27-A31 PolarHBondContact O-N 2.82Å; A31-G33 VanDerWaalsContact C-N 3.33Å; A31-W46 HydrophobicContact CB-CH2 3.7Å; A31-W46 HydrophobicContact CB-CZ3 3.97Å; A31-K330 HydrophobicContact CB-CD 4.41Å; A31-F331 HydrophobicContact CB-CZ 4.15Å
32	C	92.6	Very high	96.3	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.014	13%	0.132	C	C	.	.	S	Bend	trans	-89.2	9.3	176.9	65.5	0	0	0	0	114.6	L28 T29 Q34 F324 C325 L328 F331	L28-C32 WeakPolarHBondContact O-CB 3.39Å; L28-C32 PolarHBondContact O-SG 3.44Å; T29-C32 PolarHBondContact O-SG 3.05Å; C32-Q34 PolarHBondContact SG-NE2 2.87Å; C32-F324 WeakPolarHBondContact O-CE1 3.19Å; C32-C325 HydrophobicContact CB-CB 3.95Å; C32-L328 HydrophobicContact CB-CD1 3.89Å; C32-F331 HydrophobicContact CB-CE2 4.39Å
33	G	93.1	Very high	96.2	Very high	11 Å²	11	29 Å²	29	11%	0.113	15%	0.149	C	C	.	.	S	Bend	trans	82.7	14.4	175.6	0	0	0	0	0	115.3	A31 F36	A31-G33 VanDerWaalsContact C-N 3.33Å; G33-F36 WeakPolarHBondContact O-CZ 3.32Å
34	Q	96.1	Very high	96.1	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.014	15%	0.152	C	C	.	.	S	Bend	trans	-71.8	-38.1	166.2	-65.5	-178.3	45.8	0	0	111.6	C32 R138 M139 L140 Q142 F151 M263	C32-Q34 PolarHBondContact SG-NE2 2.87Å; Q34-R138 PolarHBondContact NE2-O 2.97Å; Q34-R138 PolarHBondContact OE1-O 3.3Å; Q34-M139 PolarHBondContact OE1-SD 3.33Å; Q34-L140 HydrophobicContact CB-CD1 4.36Å; Q34-L140 VanDerWaalsContact OE1-N 3.1Å; Q34-Q142 PolarHBondContact O-NE2 2.84Å; Q34-Q142 PolarHBondContact O-OE1 3.37Å; Q34-F151 WeakPolarHBondContact O-CE2 3.34Å; Q34-M263 HydrophobicContact CB-CE 4.49Å; Q34-M263 HydrophobicContact CB-SD 4.05Å; Q34-M263 HydrophobicContact CG-CE 4.15Å; Q34-M263 HydrophobicContact CG-SD 4.28Å
35	T	97.6	Very high	96	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.018	16%	0.155	C	C	.	.			trans	-131.1	160.5	178	-178.6	0	0	0	0	109.6	L30 R37 L140 Q142	L30-T35 HydrophobicContact CD2-CG2 4.33Å; T35-R37 PolarHBondContact OG1-N 2.92Å; T35-L140 HydrophobicContact CG2-CD1 3.43Å; T35-L140 VanDerWaalsContact CG2-CD1 3.43Å; T35-Q142 PolarHBondContact OG1-OE1 2.69Å
36	F	97.7	Very high	96	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.026	15%	0.149	C	C	.	.	S	Bend	trans	-125.7	5.4	-178	-56	-72	0	0	0	112.9	G33 R39 F151 T154 I159 I162 Q163 V166	G33-F36 WeakPolarHBondContact O-CZ 3.32Å; F36-R39 PolarHBondContact O-NH1 3.48Å; F36-R39 VanDerWaalsContact O-NH1 3.08Å; F36-F151 HydrophobicContact CE2-CE1 4.47Å; F36-F151 HydrophobicContact CE2-CE2 4.44Å; F36-F151 HydrophobicContact CE2-CZ 4.22Å; F36-T154 HydrophobicContact CE2-CG2 3.87Å; F36-T154 HydrophobicContact CZ-CG2 3.69Å; F36-I159 HydrophobicContact CE1-CG2 4.4Å; F36-I162 HydrophobicContact CD1-CB 4.06Å; F36-I162 HydrophobicContact CD1-CG2 3.64Å; F36-I162 HydrophobicContact CD2-CG2 3.86Å; F36-I162 HydrophobicContact CE1-CB 3.95Å; F36-I162 HydrophobicContact CE1-CD1 4.24Å; F36-I162 HydrophobicContact CE1-CG2 3.58Å; F36-I162 HydrophobicContact CE2-CG2 3.8Å; F36-I162 HydrophobicContact CG-CG2 3.78Å; F36-I162 HydrophobicContact CZ-CB 4.42Å; F36-I162 HydrophobicContact CZ-CD1 4.4Å; F36-I162 HydrophobicContact CZ-CG2 3.67Å; F36-Q163 HydrophobicContact CB-CB 4.48Å; F36-Q163 HydrophobicContact CD1-CB 4.42Å; F36-V166 HydrophobicContact CB-CB 4.19Å; F36-V166 HydrophobicContact CB-CG1 4.37Å; F36-V166 HydrophobicContact CB-CG2 4.09Å; F36-V166 HydrophobicContact CD2-CG2 4.35Å; F36-V166 HydrophobicContact CG-CG2 4.43Å
37	R	97.4	Very high	96	Very high	25 Å²	25	27.4 Å²	27.4	9%	0.094	15%	0.149	C	C	.	.	S	Bend	trans	-100.5	2.4	-169.3	-61.4	-74.4	-74.8	148.5	0.6	114.1	T35 G48 E146 V166 C170 H186	T35-R37 PolarHBondContact OG1-N 2.92Å; R37-G48 WeakPolarHBondContact O-CA 3.27Å; R37-E146 WeakPolarHBondContact CG-OE1 3.38Å; R37-E146 IonicContact NE-OE2 3.68Å; R37-E146 PolarHBondContact NE-OE2 3.12Å; R37-V166 HydrophobicContact CG-CG1 4.34Å; R37-C170 PolarHBondContact NH1-SG 3.01Å; R37-H186 PolarHBondContact NH2-O 3.42Å
38	W	98	Very high	96.1	Very high	5 Å²	5	24.6 Å²	24.6	2%	0.019	14%	0.136	C	C	.	.			trans	-108.2	146.3	179.1	-65.9	87.3	0	0	0	111.7	L30 W46 T47 G48 I50 W55 L57 Y106	L30-W38 HydrophobicContact CB-CB 4.09Å; L30-W38 HydrophobicContact CB-CG 4.24Å; L30-W38 HydrophobicContact CD1-CB 4.3Å; L30-W38 HydrophobicContact CD1-CD2 3.78Å; L30-W38 HydrophobicContact CD1-CE3 3.92Å; L30-W38 HydrophobicContact CD1-CG 3.96Å; L30-W38 HydrophobicContact CD2-CD2 4.12Å; L30-W38 HydrophobicContact CD2-CG 3.94Å; L30-W38 HydrophobicContact CG-CD2 4.48Å; L30-W38 HydrophobicContact CG-CG 4.27Å; W38-W46 HydrophobicContact CB-CE3 4.22Å; W38-W46 HydrophobicContact CE3-CB 3.96Å; W38-W46 HydrophobicContact CZ3-CB 4.49Å; W38-W46 WeakPolarHBondContact CZ3-O 3.47Å; W38-T47 CarbonylContact C-O 3.49Å; W38-T47 WeakPolarHBondContact CA-O 3.5Å; W38-T47 VanDerWaalsContact CE3-C 3.44Å; W38-G48 VanDerWaalsContact CE3-N 3.34Å; W38-I50 HydrophobicContact CH2-CD1 4.03Å; W38-I50 HydrophobicContact CH2-CG1 4.42Å; W38-I50 HydrophobicContact CZ2-CD1 3.57Å; W38-I50 HydrophobicContact CZ2-CG1 3.75Å; W38-W55 HydrophobicContact CH2-CB 3.88Å; W38-W55 HydrophobicContact CZ3-CB 4.3Å; W38-L57 HydrophobicContact CE3-CD1 4.49Å; W38-L57 HydrophobicContact CH2-CD1 3.3Å; W38-L57 HydrophobicContact CH2-CD2 4.48Å; W38-L57 HydrophobicContact CH2-CG 3.62Å; W38-L57 HydrophobicContact CZ2-CD1 3.97Å; W38-L57 HydrophobicContact CZ3-CB 4.4Å; W38-L57 HydrophobicContact CZ3-CD1 3.62Å; W38-L57 HydrophobicContact CZ3-CG 3.63Å; W38-Y106 HydrophobicContact CZ2-CE1 4.2Å; W38-Y106 AromaticContact NE1-CE1 3.94Å; W38-Y106 AromaticContact NE1-CZ 3.87Å; W38-Y106 PolarHBondContact NE1-OH 2.75Å
39	R	96.7	Very high	96.1	Very high	55 Å²	55	24.7 Å²	24.7	21%	0.208	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	141.7	172.8	-64.6	-67.6	-177.7	-74.5	-8	109	F36 N41 W46 T47 Q163 E167	F36-R39 PolarHBondContact O-NH1 3.48Å; F36-R39 VanDerWaalsContact O-NH1 3.08Å; R39-N41 PolarHBondContact O-N 2.83Å; R39-N41 PolarHBondContact O-OD1 3.44Å; R39-W46 CarbonylContact O-C 3.55Å; R39-W46 VanDerWaalsContact O-CA 3.24Å; R39-W46 WeakPolarHBondContact O-CA 3.48Å; R39-T47 PolarHBondContact N-O 3.23Å; R39-T47 PolarHBondContact O-N 3.23Å; R39-Q163 VanDerWaalsContact CZ-CD 3.44Å; R39-Q163 PolarHBondContact NH2-O 2.95Å; R39-E167 IonicContact CZ-OE2 3.38Å; R39-E167 IonicContact NE-OE2 2.77Å; R39-E167 IonicContact NH2-OE2 3.91Å; R39-E167 PolarHBondContact NH2-OE2 3.39Å
40	E	96.2	Very high	96.1	Very high	85 Å²	85	25.5 Å²	25.5	40%	0.397	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	106.2	166.8	-171.8	168.6	-151.4	0	0	108	A42 G44 H45 W46	E40-A42 VanDerWaalsContact CG-O 3.22Å; E40-A42 WeakPolarHBondContact CG-O 3.49Å; E40-G44 WeakPolarHBondContact OE1-CA 3.32Å; E40-G44 PolarHBondContact OE1-N 3.11Å; E40-H45 CarbonylContact C-O 3.45Å; E40-H45 WeakPolarHBondContact CA-O 3.36Å; E40-W46 HydrophobicContact CB-CD2 4.23Å; E40-W46 HydrophobicContact CB-CE3 4.25Å; E40-W46 HydrophobicContact CB-CH2 3.99Å; E40-W46 HydrophobicContact CB-CZ2 3.94Å; E40-W46 HydrophobicContact CB-CZ3 4.16Å; E40-W46 HydrophobicContact CG-CZ2 4.21Å
41	N	93	Very high	95.8	Very high	61 Å²	61	28.2 Å²	28.2	33%	0.326	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-16.8	-175.4	-63.3	95.3	0	0	0	112.8	H4 R39 H45 T47	H4-N41 HydrophobicContact CB-CB 4.37Å; H4-N41 PolarHBondContact NE2-ND2 2.93Å; R39-N41 PolarHBondContact O-N 2.83Å; R39-N41 PolarHBondContact O-OD1 3.44Å; N41-H45 PolarHBondContact N-O 3.08Å; N41-T47 WeakPolarHBondContact OD1-CB 3.27Å; N41-T47 PolarHBondContact OD1-OG1 2.79Å
42	A	92.9	Very high	95.8	Very high	33 Å²	33	28.6 Å²	28.6	27%	0.273	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	166.3	167.9	0	0	0	0	0	108.2	V6 E40 G44 H45	V6-A42 HydrophobicContact CG2-CB 3.86Å; E40-A42 VanDerWaalsContact CG-O 3.22Å; E40-A42 WeakPolarHBondContact CG-O 3.49Å; A42-G44 PolarHBondContact O-N 3.29Å; A42-G44 VanDerWaalsContact O-N 3.08Å; A42-H45 HydrophobicContact CB-CB 4.01Å; A42-H45 PolarHBondContact O-N 3Å
43	D	93.7	Very high	95.9	Very high	153 Å²	153	31.8 Å²	31.8	82%	0.818	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	114.7	-176.7	-174.8	33.2	0	0	0	111.7	H45	D43-H45 PolarHBondContact O-N 3.48Å; D43-H45 PolarHBondContact O-ND1 2.56Å
44	G	95	Very high	96.1	Very high	25 Å²	25	31.3 Å²	31.3	26%	0.258	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	11.1	-177.6	0	0	0	0	0	115.6	E40 A42 T58	E40-G44 WeakPolarHBondContact OE1-CA 3.32Å; E40-G44 PolarHBondContact OE1-N 3.11Å; A42-G44 PolarHBondContact O-N 3.29Å; A42-G44 VanDerWaalsContact O-N 3.08Å; G44-T58 WeakPolarHBondContact O-CA 3.36Å; G44-T58 WeakPolarHBondContact O-CB 3.33Å; G44-T58 PolarHBondContact O-OG1 3.34Å
45	H	96.8	Very high	96.2	Very high	16 Å²	16	31.2 Å²	31.2	7%	0.074	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	111.3	-178.5	-70	71.1	0	0	0	111.5	L7 W14 E40 N41 A42 D43 T56 L57	L7-H45 WeakPolarHBondContact CB-NE2 3.21Å; L7-H45 PolarHBondContact N-NE2 3.13Å; W14-H45 AromaticContact CH2-CD2 3.84Å; E40-H45 CarbonylContact C-O 3.45Å; E40-H45 WeakPolarHBondContact CA-O 3.36Å; N41-H45 PolarHBondContact N-O 3.08Å; A42-H45 HydrophobicContact CB-CB 4.01Å; A42-H45 PolarHBondContact O-N 3Å; D43-H45 PolarHBondContact O-N 3.48Å; D43-H45 PolarHBondContact O-ND1 2.56Å; H45-T56 HydrophobicContact CB-CG2 4.21Å; H45-L57 CarbonylContact C-O 3.57Å; H45-L57 WeakPolarHBondContact CA-O 3.39Å
46	W	98.2	Very high	96.1	Very high	10 Å²	10	31 Å²	31	4%	0.038	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118.5	-173.6	-64.8	78.7	0	0	0	110.1	L26 E27 L30 A31 W38 R39 E40 T56 L57	L26-W46 HydrophobicContact CB-CG 4.41Å; E27-W46 HydrophobicContact CB-CZ2 3.97Å; E27-W46 HydrophobicContact CG-CZ2 3.95Å; L30-W46 HydrophobicContact CB-CD2 4.3Å; L30-W46 HydrophobicContact CB-CE3 3.81Å; L30-W46 HydrophobicContact CB-CZ3 4.11Å; L30-W46 HydrophobicContact CD1-CB 3.66Å; L30-W46 HydrophobicContact CD1-CD2 3.97Å; L30-W46 HydrophobicContact CD1-CE3 4.08Å; L30-W46 HydrophobicContact CD1-CG 3.78Å; A31-W46 HydrophobicContact CB-CH2 3.7Å; A31-W46 HydrophobicContact CB-CZ3 3.97Å; W38-W46 HydrophobicContact CB-CE3 4.22Å; W38-W46 HydrophobicContact CE3-CB 3.96Å; W38-W46 HydrophobicContact CZ3-CB 4.49Å; W38-W46 WeakPolarHBondContact CZ3-O 3.47Å; R39-W46 CarbonylContact O-C 3.55Å; R39-W46 VanDerWaalsContact O-CA 3.24Å; R39-W46 WeakPolarHBondContact O-CA 3.48Å; E40-W46 HydrophobicContact CB-CD2 4.23Å; E40-W46 HydrophobicContact CB-CE3 4.25Å; E40-W46 HydrophobicContact CB-CH2 3.99Å; E40-W46 HydrophobicContact CB-CZ2 3.94Å; E40-W46 HydrophobicContact CB-CZ3 4.16Å; E40-W46 HydrophobicContact CG-CZ2 4.21Å; W46-T56 CarbonylContact O-C 3.44Å; W46-T56 VanDerWaalsContact O-CA 3.29Å; W46-T56 WeakPolarHBondContact O-CA 3.38Å; W46-L57 PolarHBondContact N-O 2.88Å; W46-L57 PolarHBondContact O-N 3.08Å
47	T	98.1	Very high	96.2	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.3	174.9	-50	0	0	0	0	111	H4 W38 R39 N41 V54 W55 T56 Y69 L180 Y185	H4-T47 PolarHBondContact CD2-OG1 3.36Å; W38-T47 CarbonylContact C-O 3.49Å; W38-T47 WeakPolarHBondContact CA-O 3.5Å; W38-T47 VanDerWaalsContact CE3-C 3.44Å; R39-T47 PolarHBondContact N-O 3.23Å; R39-T47 PolarHBondContact O-N 3.23Å; N41-T47 WeakPolarHBondContact OD1-CB 3.27Å; N41-T47 PolarHBondContact OD1-OG1 2.79Å; T47-V54 HydrophobicContact CG2-CG1 3.82Å; T47-W55 CarbonylContact C-O 3.51Å; T47-W55 WeakPolarHBondContact CA-O 3.47Å; T47-W55 WeakPolarHBondContact CG2-O 3.36Å; T47-T56 PolarHBondContact OG1-OG1 3.17Å; T47-Y69 HydrophobicContact CG2-CE2 4.38Å; T47-L180 HydrophobicContact CG2-CD1 4.09Å; T47-Y185 HydrophobicContact CG2-CE1 3.93Å; T47-Y185 HydrophobicContact CG2-CE2 4.43Å; T47-Y185 WeakPolarHBondContact CG2-OH 3.32Å
48	G	97.8	Very high	96.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	-175	-177	0	0	0	0	0	112.7	R37 W38 V54 W55	R37-G48 WeakPolarHBondContact O-CA 3.27Å; W38-G48 VanDerWaalsContact CE3-N 3.34Å; G48-V54 WeakPolarHBondContact O-CA 3.25Å; G48-W55 PolarHBondContact N-O 2.8Å; G48-W55 PolarHBondContact O-N 3.2Å
49	V	97.8	Very high	96.1	Very high	2 Å²	2	32 Å²	32	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.4	-176.5	-175.8	0	0	0	0	109.7	R53 V54 L177 Y185	V49-R53 VanDerWaalsContact CA-O 3.27Å; V49-R53 WeakPolarHBondContact CA-O 3.3Å; V49-R53 WeakPolarHBondContact CG1-O 3.36Å; V49-V54 HydrophobicContact CG2-CG2 4.32Å; V49-L177 HydrophobicContact CG1-CD1 3.57Å; V49-L177 HydrophobicContact CG2-CD1 4.2Å; V49-Y185 HydrophobicContact CG2-CD1 4Å
50	I	96.3	Very high	96.1	Very high	18 Å²	18	31.9 Å²	31.9	9%	0.092	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	125.6	169.9	-54.7	162.5	0	0	0	107.5	W38 G52 R53 W55 M102 L103 Y106	W38-I50 HydrophobicContact CH2-CD1 4.03Å; W38-I50 HydrophobicContact CH2-CG1 4.42Å; W38-I50 HydrophobicContact CZ2-CD1 3.57Å; W38-I50 HydrophobicContact CZ2-CG1 3.75Å; I50-G52 PolarHBondContact O-N 2.88Å; I50-R53 PolarHBondContact N-O 3.25Å; I50-R53 PolarHBondContact O-N 3.13Å; I50-R53 VanDerWaalsContact O-N 3.08Å; I50-W55 HydrophobicContact CD1-CG 4.41Å; I50-W55 PolarHBondContact O-NE1 2.84Å; I50-W55 VanDerWaalsContact O-NE1 3.15Å; I50-M102 HydrophobicContact CG2-CE 4.14Å; I50-L103 HydrophobicContact CD1-CD2 3.74Å; I50-Y106 HydrophobicContact CD1-CD1 3.76Å; I50-Y106 HydrophobicContact CD1-CD2 4.38Å; I50-Y106 HydrophobicContact CD1-CE1 4.01Å; I50-Y106 HydrophobicContact CD1-CG 3.94Å; I50-Y106 HydrophobicContact CG1-CD1 4.35Å; I50-Y106 HydrophobicContact CG1-CD2 4.27Å; I50-Y106 HydrophobicContact CG1-CE1 4.26Å; I50-Y106 HydrophobicContact CG1-CE2 4.18Å; I50-Y106 HydrophobicContact CG1-CG 4.33Å; I50-Y106 HydrophobicContact CG2-CD2 4.06Å; I50-Y106 HydrophobicContact CG2-CG 4.39Å
51	G	92.3	Very high	96	Very high	61 Å²	61	33.9 Å²	33.9	63%	0.629	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	49.3	172	0	0	0	0	0	113.9	R53	G51-R53 PolarHBondContact O-N 2.89Å
52	G	94.3	Very high	96.2	Very high	26 Å²	26	35.9 Å²	35.9	27%	0.268	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	13	-180	0	0	0	0	0	115.4	I50 L177 D187	I50-G52 PolarHBondContact O-N 2.88Å; G52-L177 VanDerWaalsContact O-CD2 3.27Å; G52-L177 WeakPolarHBondContact O-CD2 3.4Å; G52-D187 VanDerWaalsContact CA-OD2 3.27Å; G52-D187 WeakPolarHBondContact CA-OD2 3.45Å
53	R	95.2	Very high	96.4	Very high	68 Å²	68	35.5 Å²	35.5	26%	0.257	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	144.8	177.9	-59.2	-177.1	-167.8	-168.6	9.1	110.7	V49 I50 G51 W55 V68 E99	V49-R53 VanDerWaalsContact CA-O 3.27Å; V49-R53 WeakPolarHBondContact CA-O 3.3Å; V49-R53 WeakPolarHBondContact CG1-O 3.36Å; I50-R53 PolarHBondContact N-O 3.25Å; I50-R53 PolarHBondContact O-N 3.13Å; I50-R53 VanDerWaalsContact O-N 3.08Å; G51-R53 PolarHBondContact O-N 2.89Å; R53-W55 HydrophobicContact CB-CZ2 4.38Å; R53-W55 PolarHBondContact O-NE1 2.92Å; R53-V68 HydrophobicContact CB-CG1 4.05Å; R53-E99 IonicContact NH1-OE1 3.72Å; R53-E99 PolarHBondContact NH1-OE1 3.38Å
54	V	97	Very high	96.6	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	134.8	171.6	-173.5	0	0	0	0	108.6	T47 G48 V49 Y69 L177 C178 L180 Y185	T47-V54 HydrophobicContact CG2-CG1 3.82Å; G48-V54 WeakPolarHBondContact O-CA 3.25Å; V49-V54 HydrophobicContact CG2-CG2 4.32Å; V54-Y69 HydrophobicContact CB-CD2 3.88Å; V54-Y69 HydrophobicContact CB-CG 4.41Å; V54-Y69 HydrophobicContact CG1-CD2 3.69Å; V54-Y69 HydrophobicContact CG1-CE2 4.08Å; V54-Y69 HydrophobicContact CG1-CG 4.46Å; V54-Y69 WeakPolarHBondContact O-CD2 3.49Å; V54-Y69 PolarHBondContact O-N 2.91Å; V54-L177 HydrophobicContact CG2-CB 3.91Å; V54-L177 HydrophobicContact CG2-CD1 3.95Å; V54-C178 VanDerWaalsContact CG2-SG 3.56Å; V54-L180 HydrophobicContact CG1-CD1 3.97Å; V54-Y185 HydrophobicContact CG1-CD1 3.99Å; V54-Y185 HydrophobicContact CG1-CD2 4.35Å; V54-Y185 HydrophobicContact CG1-CE1 4.28Å; V54-Y185 HydrophobicContact CG1-CG 4.02Å; V54-Y185 HydrophobicContact CG2-CD1 4.37Å; V54-Y185 HydrophobicContact CG2-CG 4.04Å
55	W	97.3	Very high	96.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143	-175.8	-58.6	76	0	0	0	109.4	W38 T47 G48 I50 R53 L57 Y66 Y67 V68 E99 M102 L103	W38-W55 HydrophobicContact CH2-CB 3.88Å; W38-W55 HydrophobicContact CZ3-CB 4.3Å; T47-W55 CarbonylContact C-O 3.51Å; T47-W55 WeakPolarHBondContact CA-O 3.47Å; T47-W55 WeakPolarHBondContact CG2-O 3.36Å; G48-W55 PolarHBondContact N-O 2.8Å; G48-W55 PolarHBondContact O-N 3.2Å; I50-W55 HydrophobicContact CD1-CG 4.41Å; I50-W55 PolarHBondContact O-NE1 2.84Å; I50-W55 VanDerWaalsContact O-NE1 3.15Å; R53-W55 HydrophobicContact CB-CZ2 4.38Å; R53-W55 PolarHBondContact O-NE1 2.92Å; W55-L57 HydrophobicContact CB-CD2 4.46Å; W55-Y66 AromaticContact CE3-CD2 3.99Å; W55-Y66 HydrophobicContact CE3-CD2 3.99Å; W55-Y66 AromaticContact CZ3-CD2 3.63Å; W55-Y66 HydrophobicContact CZ3-CD2 3.63Å; W55-Y66 AromaticContact CZ3-CE2 3.97Å; W55-Y66 HydrophobicContact CZ3-CE2 3.97Å; W55-Y66 HydrophobicContact CZ3-CG 4.42Å; W55-Y67 CarbonylContact C-O 3.23Å; W55-Y67 VanDerWaalsContact CA-O 3.32Å; W55-Y67 WeakPolarHBondContact CA-O 3.47Å; W55-V68 HydrophobicContact CD2-CG2 3.77Å; W55-V68 HydrophobicContact CE3-CG2 3.3Å; W55-V68 HydrophobicContact CH2-CG2 3.76Å; W55-V68 HydrophobicContact CZ2-CG2 4.17Å; W55-V68 HydrophobicContact CZ3-CG2 3.28Å; W55-E99 HydrophobicContact CH2-CB 3.55Å; W55-E99 HydrophobicContact CH2-CG 3.64Å; W55-E99 HydrophobicContact CZ2-CG 4.36Å; W55-E99 HydrophobicContact CZ3-CB 3.99Å; W55-E99 HydrophobicContact CZ3-CG 4.29Å; W55-M102 HydrophobicContact CH2-CB 4.47Å; W55-M102 HydrophobicContact CZ2-CE 4.17Å; W55-M102 HydrophobicContact CZ2-SD 4.24Å; W55-L103 HydrophobicContact CD2-CD2 4.47Å; W55-L103 HydrophobicContact CE3-CD1 4.01Å; W55-L103 HydrophobicContact CE3-CD2 3.94Å; W55-L103 HydrophobicContact CE3-CG 4.09Å; W55-L103 HydrophobicContact CH2-CG 4.15Å; W55-L103 HydrophobicContact CZ3-CD1 3.66Å; W55-L103 HydrophobicContact CZ3-CD2 3.98Å; W55-L103 HydrophobicContact CZ3-CG 3.63Å
56	T	97.4	Very high	96.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.8	157	-58.7	0	0	0	0	108.9	W14 H45 W46 T47 Y66 Y67 Y69	W14-T56 HydrophobicContact CH2-CG2 3.85Å; H45-T56 HydrophobicContact CB-CG2 4.21Å; W46-T56 CarbonylContact O-C 3.44Å; W46-T56 VanDerWaalsContact O-CA 3.29Å; W46-T56 WeakPolarHBondContact O-CA 3.38Å; T47-T56 PolarHBondContact OG1-OG1 3.17Å; T56-Y66 CarbonylContact O-C 3.56Å; T56-Y66 WeakPolarHBondContact O-CA 3.16Å; T56-Y67 PolarHBondContact N-O 3.17Å; T56-Y67 PolarHBondContact O-N 2.98Å; T56-Y69 VanDerWaalsContact OG1-CE2 3.31Å; T56-Y69 WeakPolarHBondContact OG1-CE2 3.39Å; T56-Y69 PolarHBondContact OG1-OH 2.89Å
57	L	98.1	Very high	96.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.7	179.2	-53.7	-178.6	0	0	0	110.1	L26 W38 H45 W46 W55 L64 W65 Y66 L103 F107	L26-L57 HydrophobicContact CD1-CB 3.93Å; L26-L57 HydrophobicContact CD2-CB 4.25Å; L26-L57 HydrophobicContact CD2-CD1 4.06Å; W38-L57 HydrophobicContact CE3-CD1 4.49Å; W38-L57 HydrophobicContact CH2-CD1 3.3Å; W38-L57 HydrophobicContact CH2-CD2 4.48Å; W38-L57 HydrophobicContact CH2-CG 3.62Å; W38-L57 HydrophobicContact CZ2-CD1 3.97Å; W38-L57 HydrophobicContact CZ3-CB 4.4Å; W38-L57 HydrophobicContact CZ3-CD1 3.62Å; W38-L57 HydrophobicContact CZ3-CG 3.63Å; H45-L57 CarbonylContact C-O 3.57Å; H45-L57 WeakPolarHBondContact CA-O 3.39Å; W46-L57 PolarHBondContact N-O 2.88Å; W46-L57 PolarHBondContact O-N 3.08Å; W55-L57 HydrophobicContact CB-CD2 4.46Å; L57-L64 HydrophobicContact CB-CD1 4.44Å; L57-W65 WeakPolarHBondContact CA-O 3.29Å; L57-Y66 VanDerWaalsContact CD2-CB 3.4Å; L57-L103 HydrophobicContact CD2-CD1 4.16Å; L57-L103 HydrophobicContact CD2-CD2 4.16Å; L57-F107 HydrophobicContact CD1-CE2 3.63Å; L57-F107 HydrophobicContact CD1-CZ 3.55Å
58	T	97.5	Very high	96.4	Very high	11 Å²	11	32.2 Å²	32.2	7%	0.067	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	168.6	165.9	-167.4	0	0	0	0	109.3	L7 W14 G44 W65	L7-T58 HydrophobicContact CB-CG2 3.83Å; L7-T58 HydrophobicContact CD2-CG2 3.72Å; L7-T58 HydrophobicContact CG-CG2 4.36Å; W14-T58 HydrophobicContact CH2-CG2 4.07Å; W14-T58 HydrophobicContact CZ3-CG2 3.9Å; G44-T58 WeakPolarHBondContact O-CA 3.36Å; G44-T58 WeakPolarHBondContact O-CB 3.33Å; G44-T58 PolarHBondContact O-OG1 3.34Å; T58-W65 HydrophobicContact CG2-CB 3.8Å; T58-W65 HydrophobicContact CG2-CG 4.5Å; T58-W65 PolarHBondContact N-O 2.92Å; T58-W65 PolarHBondContact O-N 3.22Å; T58-W65 VanDerWaalsContact O-O 3.05Å
59	Q	96.8	Very high	96.1	Very high	44 Å²	44	33.2 Å²	33.2	21%	0.206	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	145.5	-174.2	64.2	-179.9	22	0	0	112.1	L24 L26 T63	L24-Q59 PolarHBondContact O-OE1 2.82Å; L24-Q59 VanDerWaalsContact O-OE1 3.14Å; L26-Q59 HydrophobicContact CD1-CB 4.08Å; L26-Q59 HydrophobicContact CD1-CG 4.04Å; L26-Q59 HydrophobicContact CG-CG 4.32Å; L26-Q59 VanDerWaalsContact N-OE1 3.1Å; Q59-T63 WeakPolarHBondContact CA-O 3.44Å
60	T	95.7	Very high	95.4	Very high	54 Å²	54	38.3 Å²	38.3	33%	0.331	21%	0.212	S	C	.	.			trans	-100.1	-163.4	164.3	58.8	0	0	0	0	108.9	K21 T63	K21-T60 VanDerWaalsContact CE-O 3.25Å; K21-T60 WeakPolarHBondContact CE-O 3.46Å; T60-T63 PolarHBondContact N-O 3.06Å; T60-T63 WeakPolarHBondContact OG1-CB 3.42Å; T60-T63 PolarHBondContact OG1-N 2.85Å; T60-T63 PolarHBondContact OG1-O 2.78Å
61	E	95.8	Very high	93.7	Very high	127 Å²	127	42.9 Å²	42.9	59%	0.593	24%	0.237	S	C	*	.	S	Bend	trans	-68.1	-35.9	179.8	-71.5	-55.8	131.8	0	0	113.3	A20 K21	A20-E61 CarbonylContact C-O 3.08Å; A20-E61 VanDerWaalsContact CA-O 3.3Å; A20-E61 WeakPolarHBondContact CA-O 3.42Å; K21-E61 WeakPolarHBondContact CE-OE1 3.23Å; K21-E61 PolarHBondContact N-O 3.5Å; K21-E61 IonicContact NZ-OE1 3.26Å; K21-E61 PolarHBondContact NZ-OE1 2.85Å
62	D	97	Very high	91.5	Very high	103 Å²	103	49.3 Å²	49.3	55%	0.551	25%	0.251	S	S	*	.	S	Bend	trans	-123.8	-2.5	-171.8	64.9	-3.4	0	0	0	114.5	C19	C19-D62 CarbonylContact C-O 3.51Å; C19-D62 VanDerWaalsContact C-O 3.23Å; C19-D62 PolarHBondContact N-O 3.39Å; C19-D62 CarbonylContact O-C 3.52Å
63	T	97.3	Very high	88.9	Confident	25 Å²	25	51.2 Å²	51.2	15%	0.153	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128.2	-171.1	-52.3	0	0	0	0	111.6	C19 Q59 T60 W65	C19-T63 PolarHBondContact O-N 2.86Å; Q59-T63 WeakPolarHBondContact CA-O 3.44Å; T60-T63 PolarHBondContact N-O 3.06Å; T60-T63 WeakPolarHBondContact OG1-CB 3.42Å; T60-T63 PolarHBondContact OG1-N 2.85Å; T60-T63 PolarHBondContact OG1-O 2.78Å; T63-W65 HydrophobicContact CG2-CD2 4.31Å; T63-W65 HydrophobicContact CG2-CG 4.49Å; T63-W65 HydrophobicContact CG2-CZ2 4.12Å
64	L	98.1	Very high	86.1	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	120.7	166.9	173.4	66.8	0	0	0	109	S16 L17 C19 L24 L26 L57 F107	S16-L64 CarbonylContact C-O 3.6Å; S16-L64 VanDerWaalsContact CA-O 3.25Å; S16-L64 WeakPolarHBondContact CA-O 3.41Å; L17-L64 HydrophobicContact CB-CB 4.48Å; L17-L64 HydrophobicContact CD1-CD2 4.4Å; L17-L64 PolarHBondContact N-O 2.99Å; L17-L64 PolarHBondContact O-N 2.96Å; C19-L64 HydrophobicContact CB-CB 3.84Å; L24-L64 HydrophobicContact CD2-CD1 4.44Å; L24-L64 HydrophobicContact CD2-CD2 4.09Å; L26-L64 HydrophobicContact CD1-CD1 3.98Å; L26-L64 HydrophobicContact CD2-CD1 3.98Å; L26-L64 HydrophobicContact CG-CD1 4.25Å; L57-L64 HydrophobicContact CB-CD1 4.44Å; L64-F107 HydrophobicContact CD2-CD2 4.32Å; L64-F107 HydrophobicContact CD2-CE2 4.29Å
65	W	97.2	Very high	83	Confident	72 Å²	72	56.5 Å²	56.5	27%	0.273	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.3	176.4	-64.8	89.3	0	0	0	110.2	L7 W14 R15 L57 T58 T63	L7-W65 HydrophobicContact CD1-CD2 4.38Å; L7-W65 HydrophobicContact CD1-CE3 4.31Å; L7-W65 HydrophobicContact CD2-CB 4.25Å; L7-W65 HydrophobicContact CD2-CD2 4.13Å; L7-W65 HydrophobicContact CD2-CG 3.82Å; W14-W65 HydrophobicContact CB-CE3 4.16Å; W14-W65 HydrophobicContact CE3-CB 3.9Å; W14-W65 HydrophobicContact CZ3-CB 4.2Å; R15-W65 CarbonylContact O-C 3.59Å; R15-W65 WeakPolarHBondContact O-CA 3.4Å; L57-W65 WeakPolarHBondContact CA-O 3.29Å; T58-W65 HydrophobicContact CG2-CB 3.8Å; T58-W65 HydrophobicContact CG2-CG 4.5Å; T58-W65 PolarHBondContact N-O 2.92Å; T58-W65 PolarHBondContact O-N 3.22Å; T58-W65 VanDerWaalsContact O-O 3.05Å; T63-W65 HydrophobicContact CG2-CD2 4.31Å; T63-W65 HydrophobicContact CG2-CG 4.49Å; T63-W65 HydrophobicContact CG2-CZ2 4.12Å
66	Y	96.5	Very high	79.9	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.012	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	150.2	178.2	68.7	-85.1	0	0	0	112.7	W14 R15 L17 W55 T56 L57 V68 S96 E99 L103	W14-Y66 VanDerWaalsContact CE3-C 3.42Å; R15-Y66 HydrophobicContact CB-CD1 4.01Å; R15-Y66 HydrophobicContact CB-CD2 4.11Å; R15-Y66 HydrophobicContact CB-CE1 3.47Å; R15-Y66 VanDerWaalsContact CB-CE1 3.47Å; R15-Y66 HydrophobicContact CB-CE2 3.6Å; R15-Y66 HydrophobicContact CB-CG 4.31Å; R15-Y66 HydrophobicContact CG-CE2 4.26Å; R15-Y66 PolarHBondContact N-O 3.46Å; R15-Y66 WeakPolarHBondContact O-CD1 3.25Å; R15-Y66 PolarHBondContact O-N 3.38Å; L17-Y66 HydrophobicContact CD2-CE1 4.46Å; L17-Y66 HydrophobicContact CG-CD1 4.47Å; L17-Y66 HydrophobicContact CG-CE1 4.02Å; W55-Y66 AromaticContact CE3-CD2 3.99Å; W55-Y66 HydrophobicContact CE3-CD2 3.99Å; W55-Y66 AromaticContact CZ3-CD2 3.63Å; W55-Y66 HydrophobicContact CZ3-CD2 3.63Å; W55-Y66 AromaticContact CZ3-CE2 3.97Å; W55-Y66 HydrophobicContact CZ3-CE2 3.97Å; W55-Y66 HydrophobicContact CZ3-CG 4.42Å; T56-Y66 CarbonylContact O-C 3.56Å; T56-Y66 WeakPolarHBondContact O-CA 3.16Å; L57-Y66 VanDerWaalsContact CD2-CB 3.4Å; Y66-V68 HydrophobicContact CD2-CG2 4.03Å; Y66-V68 HydrophobicContact CE2-CG2 4.38Å; Y66-S96 PolarHBondContact OH-O 3.43Å; Y66-E99 HydrophobicContact CE2-CB 3.96Å; Y66-E99 WeakPolarHBondContact CE2-OE2 3.22Å; Y66-L103 HydrophobicContact CD1-CD1 3.61Å; Y66-L103 HydrophobicContact CD2-CD1 3.87Å; Y66-L103 HydrophobicContact CE1-CD1 4.12Å; Y66-L103 HydrophobicContact CE2-CD1 4.33Å; Y66-L103 HydrophobicContact CG-CD1 3.46Å; Y66-L103 VanDerWaalsContact CG-CD1 3.46Å
67	Y	94.7	Very high	76.8	Confident	44 Å²	44	64.4 Å²	64.4	17%	0.173	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	132.5	173.4	177.6	-92.6	0	0	0	108.9	A5 K12 W55 T56 Y69	A5-Y67 HydrophobicContact CB-CD1 3.7Å; A5-Y67 HydrophobicContact CB-CE1 4.28Å; A5-Y67 HydrophobicContact CB-CG 3.91Å; K12-Y67 HydrophobicContact CB-CD2 3.97Å; K12-Y67 HydrophobicContact CB-CE2 3.66Å; K12-Y67 HydrophobicContact CD-CE1 4.41Å; K12-Y67 HydrophobicContact CD-CE2 4.09Å; K12-Y67 HydrophobicContact CG-CE2 3.96Å; W55-Y67 CarbonylContact C-O 3.23Å; W55-Y67 VanDerWaalsContact CA-O 3.32Å; W55-Y67 WeakPolarHBondContact CA-O 3.47Å; T56-Y67 PolarHBondContact N-O 3.17Å; T56-Y67 PolarHBondContact O-N 2.98Å; Y67-Y69 HydrophobicContact CD1-CD1 4.27Å; Y67-Y69 HydrophobicContact CD1-CD2 4.06Å; Y67-Y69 AromaticContact CD1-CE1 3.99Å; Y67-Y69 HydrophobicContact CD1-CE1 3.99Å; Y67-Y69 AromaticContact CD1-CE2 3.76Å; Y67-Y69 HydrophobicContact CD1-CE2 3.76Å; Y67-Y69 HydrophobicContact CD1-CG 4.29Å; Y67-Y69 AromaticContact CD1-CZ 3.71Å; Y67-Y69 AromaticContact CE1-CD1 3.57Å; Y67-Y69 HydrophobicContact CE1-CD1 3.57Å; Y67-Y69 HydrophobicContact CE1-CD2 4.08Å; Y67-Y69 AromaticContact CE1-CE1 3.53Å; Y67-Y69 HydrophobicContact CE1-CE1 3.53Å; Y67-Y69 HydrophobicContact CE1-CE2 4.06Å; Y67-Y69 AromaticContact CE1-CG 3.84Å; Y67-Y69 HydrophobicContact CE1-CG 3.84Å; Y67-Y69 AromaticContact CE1-CZ 3.78Å
68	V	94.1	Very high	74.1	Confident	15 Å²	15	73.2 Å²	73.2	9%	0.091	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130	-180	-171.7	0	0	0	0	109.6	R53 W55 Y66 T70 E99	R53-V68 HydrophobicContact CB-CG1 4.05Å; W55-V68 HydrophobicContact CD2-CG2 3.77Å; W55-V68 HydrophobicContact CE3-CG2 3.3Å; W55-V68 HydrophobicContact CH2-CG2 3.76Å; W55-V68 HydrophobicContact CZ2-CG2 4.17Å; W55-V68 HydrophobicContact CZ3-CG2 3.28Å; Y66-V68 HydrophobicContact CD2-CG2 4.03Å; Y66-V68 HydrophobicContact CE2-CG2 4.38Å; V68-T70 PolarHBondContact O-N 2.88Å; V68-E99 HydrophobicContact CG2-CG 4.19Å; V68-E99 WeakPolarHBondContact CG2-OE2 3.42Å
69	Y	91.9	Very high	71.1	Confident	22 Å²	22	79.5 Å²	79.5	9%	0.086	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	113	176.2	-57.6	-99.6	0	0	0	108.7	H4 A5 T47 V54 T56 Y67 L180	H4-Y69 WeakPolarHBondContact CA-OH 3.31Å; A5-Y69 WeakPolarHBondContact CB-OH 3.37Å; A5-Y69 PolarHBondContact N-OH 2.69Å; T47-Y69 HydrophobicContact CG2-CE2 4.38Å; V54-Y69 HydrophobicContact CB-CD2 3.88Å; V54-Y69 HydrophobicContact CB-CG 4.41Å; V54-Y69 HydrophobicContact CG1-CD2 3.69Å; V54-Y69 HydrophobicContact CG1-CE2 4.08Å; V54-Y69 HydrophobicContact CG1-CG 4.46Å; V54-Y69 WeakPolarHBondContact O-CD2 3.49Å; V54-Y69 PolarHBondContact O-N 2.91Å; T56-Y69 VanDerWaalsContact OG1-CE2 3.31Å; T56-Y69 WeakPolarHBondContact OG1-CE2 3.39Å; T56-Y69 PolarHBondContact OG1-OH 2.89Å; Y67-Y69 HydrophobicContact CD1-CD1 4.27Å; Y67-Y69 HydrophobicContact CD1-CD2 4.06Å; Y67-Y69 AromaticContact CD1-CE1 3.99Å; Y67-Y69 HydrophobicContact CD1-CE1 3.99Å; Y67-Y69 AromaticContact CD1-CE2 3.76Å; Y67-Y69 HydrophobicContact CD1-CE2 3.76Å; Y67-Y69 HydrophobicContact CD1-CG 4.29Å; Y67-Y69 AromaticContact CD1-CZ 3.71Å; Y67-Y69 AromaticContact CE1-CD1 3.57Å; Y67-Y69 HydrophobicContact CE1-CD1 3.57Å; Y67-Y69 HydrophobicContact CE1-CD2 4.08Å; Y67-Y69 AromaticContact CE1-CE1 3.53Å; Y67-Y69 HydrophobicContact CE1-CE1 3.53Å; Y67-Y69 HydrophobicContact CE1-CE2 4.06Å; Y67-Y69 AromaticContact CE1-CG 3.84Å; Y67-Y69 HydrophobicContact CE1-CG 3.84Å; Y67-Y69 AromaticContact CE1-CZ 3.78Å; Y69-L180 HydrophobicContact CD1-CD1 3.94Å; Y69-L180 HydrophobicContact CD1-CD2 3.37Å; Y69-L180 HydrophobicContact CD1-CG 4.3Å; Y69-L180 HydrophobicContact CD2-CD1 4.01Å; Y69-L180 HydrophobicContact CE1-CD1 3.54Å; Y69-L180 HydrophobicContact CE1-CD2 3.42Å; Y69-L180 VanDerWaalsContact CE1-CD2 3.42Å; Y69-L180 HydrophobicContact CE1-CG 4.12Å; Y69-L180 HydrophobicContact CE2-CD1 3.64Å; Y69-L180 HydrophobicContact CG-CD1 4.17Å; Y69-L180 HydrophobicContact CG-CD2 4.12Å
70	T	82.2	Confident	68.4	Low	108 Å²	108	83.1 Å²	83.1	66%	0.663	52%	0.523	S	S	*	.			trans	-76.2	133	172.7	53.4	0	0	0	0	110	V68 Q72	V68-T70 PolarHBondContact O-N 2.88Å; T70-Q72 PolarHBondContact O-N 3.11Å; T70-Q72 VanDerWaalsContact O-N 3.17Å
71	N	61.3	Low	66	Low	115 Å²	115	83.9 Å²	83.9	62%	0.615	53%	0.53	S	S	*	.			trans	-68.6	110.9	177.1	-154	-1.1	0	0	0	109	G73 L177	N71-G73 PolarHBondContact O-N 3.28Å; N71-L177 PolarHBondContact OD1-O 2.93Å; N71-L177 VanDerWaalsContact OD1-O 3.08Å
72	Q	47	Very low	63.8	Low	195 Å²	195	86.1 Å²	86.1	91%	0.911	54%	0.541	S	S	*	.			trans	-75.8	34.7	177.4	-69.7	-162.2	-9.9	0	0	112.6	T70	T70-Q72 PolarHBondContact O-N 3.11Å; T70-Q72 VanDerWaalsContact O-N 3.17Å
73	G	39.7	Very low	61.1	Low	67 Å²	67	87 Å²	87	69%	0.691	55%	0.546	S	S	*	.	S	Bend	trans	-111.2	17.1	-166.9	0	0	0	0	0	116.1	N71	N71-G73 PolarHBondContact O-N 3.28Å
74	G	35.2	Very low	58.8	Low	76 Å²	76	87.7 Å²	87.7	78%	0.784	55%	0.551	S	S	*	*	S	Bend	trans	-177.4	68.9	-178.5	0	0	0	0	0	115.6
75	A	31.8	Very low	56.4	Low	104 Å²	104	92.8 Å²	92.8	86%	0.86	58%	0.578	S	S	*	*			trans	-162.6	93.7	154.1	0	0	0	0	0	108.1
76	G	33.2	Very low	54.1	Low	85 Å²	85	98.1 Å²	98.1	88%	0.876	60%	0.598	S	S	*	*			trans	-78.9	152.3	159.6	0	0	0	0	0	109.7
77	G	30.9	Very low	51.6	Low	82 Å²	82	100.7 Å²	100.7	85%	0.845	62%	0.62	S	S	*	*			trans	119.1	105.3	162.9	0	0	0	0	0	114.2
78	E	42	Very low	49.5	Very low	184 Å²	184	104.1 Å²	104.1	86%	0.86	64%	0.638	S	S	*	*			trans	-61.2	142	173.4	-59.2	162.1	144.8	0	0	112.6
79	N	35.3	Very low	47.7	Very low	144 Å²	144	106.8 Å²	106.8	77%	0.77	66%	0.657	S	S	*	*				157.3	103.4	125.7	-83.2	-21.1	0	0	0	110.4	S81	N79-S81 PolarHBondContact O-N 3.2Å
80	S	39.4	Very low	46.1	Very low	120 Å²	120	109.5 Å²	109.5	84%	0.839	68%	0.676	S	S	*	*			trans	-73.3	111.4	175.4	53.1	0	0	0	0	110.9
81	S	46.4	Very low	45.1	Very low	70 Å²	70	107.9 Å²	107.9	49%	0.49	67%	0.666	S	S	.	*			trans	-111.5	156.1	159.2	66	0	0	0	0	108.9	N79 D83 S84	N79-S81 PolarHBondContact O-N 3.2Å; S81-D83 PolarHBondContact O-N 2.87Å; S81-D83 VanDerWaalsContact O-N 3.09Å; S81-S84 VanDerWaalsContact O-CB 3.25Å; S81-S84 WeakPolarHBondContact O-CB 3.46Å; S81-S84 PolarHBondContact O-N 3.49Å; S81-S84 PolarHBondContact OG-OG 3.39Å
82	E	47.7	Very low	45.2	Very low	173 Å²	173	104.6 Å²	104.6	81%	0.808	66%	0.655	S	S	*	*	H	α-helix	trans	-60.8	-19.4	-176	-73.3	-179.9	143.7	0	0	114.2
83	D	41.8	Very low	46.1	Very low	123 Å²	123	98.7 Å²	98.7	66%	0.658	64%	0.635	S	S	*	*	H	α-helix	trans	-75.5	-27.6	173.4	-126.8	0.5	0	0	0	112.4	S81 L85 A87	S81-D83 PolarHBondContact O-N 2.87Å; S81-D83 VanDerWaalsContact O-N 3.09Å; D83-L85 VanDerWaalsContact C-N 3.34Å; D83-A87 PolarHBondContact O-N 2.7Å
84	S	49.1	Very low	47.5	Very low	39 Å²	39	101.7 Å²	101.7	27%	0.273	63%	0.63	S	S	.	*	H	α-helix	trans	-66.5	-34.8	172.4	-54.5	0	0	0	0	111.6	S81 R86 A87 E88	S81-S84 VanDerWaalsContact O-CB 3.25Å; S81-S84 WeakPolarHBondContact O-CB 3.46Å; S81-S84 PolarHBondContact O-N 3.49Å; S81-S84 PolarHBondContact OG-OG 3.39Å; S84-R86 PolarHBondContact O-N 3.49Å; S84-A87 PolarHBondContact O-N 2.89Å; S84-E88 VanDerWaalsContact O-CB 3.22Å; S84-E88 WeakPolarHBondContact O-CB 3.44Å; S84-E88 WeakPolarHBondContact O-CG 3.21Å; S84-E88 PolarHBondContact O-N 3.16Å
85	L	47.3	Very low	49.4	Very low	107 Å²	107	102.8 Å²	102.8	56%	0.56	62%	0.615	S	S	*	*	H	α-helix	trans	-68.5	-34.9	-179.7	-70.4	168.8	0	0	0	112.6	D83 S89	D83-L85 VanDerWaalsContact C-N 3.34Å; L85-S89 WeakPolarHBondContact O-CB 3.38Å; L85-S89 PolarHBondContact O-N 2.83Å
86	R	48.1	Very low	51.8	Low	185 Å²	185	99.5 Å²	99.5	70%	0.698	59%	0.585	S	S	*	*	H	α-helix	trans	-70.8	-44.5	174.2	-81.2	-178.1	173.4	163.8	-0.1	111.3	S84 S89 V90	S84-R86 PolarHBondContact O-N 3.49Å; R86-S89 PolarHBondContact O-N 3.02Å; R86-S89 PolarHBondContact O-OG 2.78Å; R86-V90 WeakPolarHBondContact O-CG2 3.47Å; R86-V90 PolarHBondContact O-N 2.78Å
87	A	44.2	Very low	54.5	Low	57 Å²	57	99.6 Å²	99.6	47%	0.471	56%	0.563	S	S	.	*	H	α-helix	trans	-63	-39.6	175.3	0	0	0	0	0	112.3	D83 S84 T91	D83-A87 PolarHBondContact O-N 2.7Å; S84-A87 PolarHBondContact O-N 2.89Å; A87-T91 WeakPolarHBondContact O-CB 3.41Å; A87-T91 VanDerWaalsContact O-CG2 3.26Å; A87-T91 WeakPolarHBondContact O-CG2 3.27Å; A87-T91 PolarHBondContact O-N 2.91Å; A87-T91 PolarHBondContact O-OG1 2.78Å
88	E	51.7	Low	57.4	Low	116 Å²	116	98.6 Å²	98.6	54%	0.542	54%	0.54	S	S	.	.	H	α-helix	trans	-65.7	-38.8	172.9	-77.9	172.3	-177.8	0	0	112.1	S84 T91 A92	S84-E88 VanDerWaalsContact O-CB 3.22Å; S84-E88 WeakPolarHBondContact O-CB 3.44Å; S84-E88 WeakPolarHBondContact O-CG 3.21Å; S84-E88 PolarHBondContact O-N 3.16Å; E88-T91 VanDerWaalsContact CA-OG1 3.29Å; E88-T91 WeakPolarHBondContact CA-OG1 3.27Å; E88-T91 PolarHBondContact O-OG1 2.79Å; E88-A92 WeakPolarHBondContact O-CB 3.27Å; E88-A92 PolarHBondContact O-N 2.81Å
89	S	56.6	Low	59.9	Low	71 Å²	71	90.2 Å²	90.2	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-69	-39.4	177.3	82.2	0	0	0	0	112.6	L85 R86 S93	L85-S89 WeakPolarHBondContact O-CB 3.38Å; L85-S89 PolarHBondContact O-N 2.83Å; R86-S89 PolarHBondContact O-N 3.02Å; R86-S89 PolarHBondContact O-OG 2.78Å; S89-S93 WeakPolarHBondContact O-CB 3.3Å; S89-S93 PolarHBondContact O-N 3.14Å; S89-S93 PolarHBondContact O-OG 2.77Å
90	V	57.8	Low	62.8	Low	79 Å²	79	83.5 Å²	83.5	48%	0.479	47%	0.466	S	S	.	.	H	α-helix	trans	-69.4	-44.8	178.4	172.9	0	0	0	0	110	R86 S93 H94	R86-V90 WeakPolarHBondContact O-CG2 3.47Å; R86-V90 PolarHBondContact O-N 2.78Å; V90-S93 PolarHBondContact O-N 2.74Å; V90-S93 PolarHBondContact O-OG 3.01Å; V90-H94 PolarHBondContact O-CD2 3.47Å; V90-H94 PolarHBondContact O-N 2.83Å
91	T	61.4	Low	65.6	Low	74 Å²	74	83.1 Å²	83.1	45%	0.454	45%	0.451	S	S	.	.	H	α-helix	trans	-64.6	-41.6	175.2	51.3	0	0	0	0	111.9	A87 E88 S93 H94 H95	A87-T91 WeakPolarHBondContact O-CB 3.41Å; A87-T91 VanDerWaalsContact O-CG2 3.26Å; A87-T91 WeakPolarHBondContact O-CG2 3.27Å; A87-T91 PolarHBondContact O-N 2.91Å; A87-T91 PolarHBondContact O-OG1 2.78Å; E88-T91 VanDerWaalsContact CA-OG1 3.29Å; E88-T91 WeakPolarHBondContact CA-OG1 3.27Å; E88-T91 PolarHBondContact O-OG1 2.79Å; T91-S93 VanDerWaalsContact C-N 3.35Å; T91-S93 PolarHBondContact O-N 3.06Å; T91-H94 PolarHBondContact O-N 2.97Å; T91-H95 WeakPolarHBondContact O-CB 3.33Å; T91-H95 PolarHBondContact O-CD2 2.96Å; T91-H95 PolarHBondContact O-N 3.43Å
92	A	63.5	Low	68	Low	46 Å²	46	82 Å²	82	38%	0.38	44%	0.438	S	S	.	.	H	α-helix	trans	-62.9	-38	175.6	0	0	0	0	0	113	E88 S96	E88-A92 WeakPolarHBondContact O-CB 3.27Å; E88-A92 PolarHBondContact O-N 2.81Å; A92-S96 PolarHBondContact O-N 3.34Å
93	S	65.7	Low	70.4	Confident	71 Å²	71	73.8 Å²	73.8	50%	0.497	40%	0.4	S	S	.	.	H	α-helix	trans	-66.7	-43.7	175.7	74.5	0	0	0	0	112.2	S89 V90 T91 S96 E97	S89-S93 WeakPolarHBondContact O-CB 3.3Å; S89-S93 PolarHBondContact O-N 3.14Å; S89-S93 PolarHBondContact O-OG 2.77Å; V90-S93 PolarHBondContact O-N 2.74Å; V90-S93 PolarHBondContact O-OG 3.01Å; T91-S93 VanDerWaalsContact C-N 3.35Å; T91-S93 PolarHBondContact O-N 3.06Å; S93-S96 WeakPolarHBondContact O-CB 3.08Å; S93-S96 PolarHBondContact O-N 2.86Å; S93-E97 PolarHBondContact O-N 2.82Å; S93-E97 VanDerWaalsContact O-N 3.16Å
94	H	67.8	Low	73.1	Confident	129 Å²	129	72.4 Å²	72.4	60%	0.597	39%	0.386	S	S	*	.	H	α-helix	trans	-63.9	-42.6	174.8	-92.3	-73.8	0	0	0	112.4	V90 T91 S96 E97 V98	V90-H94 PolarHBondContact O-CD2 3.47Å; V90-H94 PolarHBondContact O-N 2.83Å; T91-H94 PolarHBondContact O-N 2.97Å; H94-S96 VanDerWaalsContact C-N 3.27Å; H94-S96 PolarHBondContact O-N 2.87Å; H94-E97 PolarHBondContact O-N 2.93Å; H94-V98 WeakPolarHBondContact O-CG2 3.39Å; H94-V98 PolarHBondContact O-N 3.3Å; H94-V98 VanDerWaalsContact O-N 3.08Å
95	H	76.4	Confident	75.4	Confident	100 Å²	100	73.6 Å²	73.6	46%	0.463	39%	0.389	S	S	.	.	H	α-helix	trans	-61.3	-37.3	175.2	-80.8	-65.5	0	0	0	112.1	T91 E99	T91-H95 WeakPolarHBondContact O-CB 3.33Å; T91-H95 PolarHBondContact O-CD2 2.96Å; T91-H95 PolarHBondContact O-N 3.43Å; H95-E99 WeakPolarHBondContact O-CB 3.34Å; H95-E99 WeakPolarHBondContact O-CG 3.44Å; H95-E99 PolarHBondContact O-N 3.4Å; H95-E99 VanDerWaalsContact O-N 3.08Å
96	S	81.4	Confident	77.9	Confident	34 Å²	34	69 Å²	69	24%	0.238	36%	0.364	C	S	.	.	H	α-helix	trans	-63.8	-41.7	176.5	-171.7	0	0	0	0	112.5	R15 Y66 A92 S93 H94 E99 A100	R15-S96 WeakPolarHBondContact CD-OG 3.24Å; R15-S96 PolarHBondContact NE-OG 2.73Å; Y66-S96 PolarHBondContact OH-O 3.43Å; A92-S96 PolarHBondContact O-N 3.34Å; S93-S96 WeakPolarHBondContact O-CB 3.08Å; S93-S96 PolarHBondContact O-N 2.86Å; H94-S96 VanDerWaalsContact C-N 3.27Å; H94-S96 PolarHBondContact O-N 2.87Å; S96-E99 PolarHBondContact O-N 3.03Å; S96-A100 WeakPolarHBondContact O-CB 3.35Å; S96-A100 PolarHBondContact O-N 2.74Å
97	E	89.4	Confident	80.3	Confident	87 Å²	87	60.2 Å²	60.2	41%	0.407	33%	0.331	S	S	.	.	H	α-helix	trans	-70.5	-43.1	179.5	-166.4	59.2	-132.3	0	0	111.7	S93 H94 E99 A100 E101 R104	S93-E97 PolarHBondContact O-N 2.82Å; S93-E97 VanDerWaalsContact O-N 3.16Å; H94-E97 PolarHBondContact O-N 2.93Å; E97-E99 VanDerWaalsContact C-N 3.25Å; E97-E99 PolarHBondContact O-N 2.77Å; E97-A100 WeakPolarHBondContact O-CB 3.37Å; E97-A100 PolarHBondContact O-N 2.92Å; E97-A100 VanDerWaalsContact O-N 3.11Å; E97-E101 WeakPolarHBondContact O-CG 3.31Å; E97-E101 PolarHBondContact O-N 3.15Å; E97-R104 IonicContact OE1-CZ 3.7Å; E97-R104 IonicContact OE1-NH1 2.75Å; E97-R104 PolarHBondContact OE1-NH1 3.08Å; E97-R104 IonicContact OE1-NH2 3.74Å
98	V	92.6	Very high	82.9	Confident	61 Å²	61	58 Å²	58	37%	0.37	31%	0.311	S	S	.	.	H	α-helix	trans	-58	-41.3	175.2	172.2	0	0	0	0	111	H94 E101 M102	H94-V98 WeakPolarHBondContact O-CG2 3.39Å; H94-V98 PolarHBondContact O-N 3.3Å; H94-V98 VanDerWaalsContact O-N 3.08Å; V98-E101 PolarHBondContact O-N 3.27Å; V98-M102 HydrophobicContact CG1-SD 4.39Å; V98-M102 VanDerWaalsContact O-CG 3.27Å; V98-M102 WeakPolarHBondContact O-CG 3.46Å; V98-M102 PolarHBondContact O-N 2.99Å
99	E	94.4	Very high	85.1	Confident	9 Å²	9	54.4 Å²	54.4	4%	0.042	30%	0.295	C	S	.	.	H	α-helix	trans	-66.5	-40.8	176.5	-75.2	172.3	-160.9	0	0	113.1	R15 R53 W55 Y66 V68 H95 S96 E97 M102 L103	R15-E99 IonicContact CZ-OE2 3.7Å; R15-E99 IonicContact NH1-OE1 3.67Å; R15-E99 PolarHBondContact NH1-OE1 2.77Å; R15-E99 VanDerWaalsContact NH1-OE1 3.13Å; R15-E99 IonicContact NH1-OE2 3.82Å; R15-E99 PolarHBondContact NH1-OE2 3.04Å; R53-E99 IonicContact NH1-OE1 3.72Å; R53-E99 PolarHBondContact NH1-OE1 3.38Å; W55-E99 HydrophobicContact CH2-CB 3.55Å; W55-E99 HydrophobicContact CH2-CG 3.64Å; W55-E99 HydrophobicContact CZ2-CG 4.36Å; W55-E99 HydrophobicContact CZ3-CB 3.99Å; W55-E99 HydrophobicContact CZ3-CG 4.29Å; Y66-E99 HydrophobicContact CE2-CB 3.96Å; Y66-E99 WeakPolarHBondContact CE2-OE2 3.22Å; V68-E99 HydrophobicContact CG2-CG 4.19Å; V68-E99 WeakPolarHBondContact CG2-OE2 3.42Å; H95-E99 WeakPolarHBondContact O-CB 3.34Å; H95-E99 WeakPolarHBondContact O-CG 3.44Å; H95-E99 PolarHBondContact O-N 3.4Å; H95-E99 VanDerWaalsContact O-N 3.08Å; S96-E99 PolarHBondContact O-N 3.03Å; E97-E99 VanDerWaalsContact C-N 3.25Å; E97-E99 PolarHBondContact O-N 2.77Å; E99-M102 PolarHBondContact O-N 2.85Å; E99-L103 PolarHBondContact O-N 2.87Å
100	A	96	Very high	87.1	Confident	3 Å²	3	57.7 Å²	57.7	3%	0.025	30%	0.302	C	S	.	.	H	α-helix	trans	-61.7	-44.3	174.8	0	0	0	0	0	111.2	L17 S96 E97 L103 R104	L17-A100 HydrophobicContact CD2-CB 3.74Å; S96-A100 WeakPolarHBondContact O-CB 3.35Å; S96-A100 PolarHBondContact O-N 2.74Å; E97-A100 WeakPolarHBondContact O-CB 3.37Å; E97-A100 PolarHBondContact O-N 2.92Å; E97-A100 VanDerWaalsContact O-N 3.11Å; A100-L103 PolarHBondContact O-N 2.87Å; A100-R104 WeakPolarHBondContact O-CB 3.48Å; A100-R104 VanDerWaalsContact O-CG 3.27Å; A100-R104 WeakPolarHBondContact O-CG 3.22Å; A100-R104 PolarHBondContact O-N 3.08Å
101	E	97.4	Very high	89	Confident	112 Å²	112	54.5 Å²	54.5	52%	0.523	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-44	174.5	-72.7	176.6	174.5	0	0	112.3	E97 V98 L103 R104 D105	E97-E101 WeakPolarHBondContact O-CG 3.31Å; E97-E101 PolarHBondContact O-N 3.15Å; V98-E101 PolarHBondContact O-N 3.27Å; E101-L103 VanDerWaalsContact C-N 3.32Å; E101-L103 PolarHBondContact O-N 2.77Å; E101-R104 PolarHBondContact O-N 3.36Å; E101-D105 WeakPolarHBondContact O-CB 3.47Å; E101-D105 PolarHBondContact O-N 3.22Å
102	M	97.7	Very high	90.7	Very high	46 Å²	46	57.9 Å²	57.9	23%	0.227	29%	0.292	C	S	.	.	H	α-helix	trans	-57.8	-43.8	175.1	-74.7	177.8	72.9	0	0	111.9	I50 W55 V98 E99 D105 Y106	I50-M102 HydrophobicContact CG2-CE 4.14Å; W55-M102 HydrophobicContact CH2-CB 4.47Å; W55-M102 HydrophobicContact CZ2-CE 4.17Å; W55-M102 HydrophobicContact CZ2-SD 4.24Å; V98-M102 HydrophobicContact CG1-SD 4.39Å; V98-M102 VanDerWaalsContact O-CG 3.27Å; V98-M102 WeakPolarHBondContact O-CG 3.46Å; V98-M102 PolarHBondContact O-N 2.99Å; E99-M102 PolarHBondContact O-N 2.85Å; M102-D105 PolarHBondContact O-N 3.05Å; M102-Y106 WeakPolarHBondContact O-CB 3.41Å; M102-Y106 PolarHBondContact O-N 3.34Å
103	L	97.9	Very high	92.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-70	-39.7	176.8	-71.3	-179.6	0	0	0	112.3	L17 I50 W55 L57 Y66 E99 A100 E101 D105 Y106 F107	L17-L103 HydrophobicContact CD1-CB 3.85Å; L17-L103 HydrophobicContact CD1-CD1 4.22Å; I50-L103 HydrophobicContact CD1-CD2 3.74Å; W55-L103 HydrophobicContact CD2-CD2 4.47Å; W55-L103 HydrophobicContact CE3-CD1 4.01Å; W55-L103 HydrophobicContact CE3-CD2 3.94Å; W55-L103 HydrophobicContact CE3-CG 4.09Å; W55-L103 HydrophobicContact CH2-CG 4.15Å; W55-L103 HydrophobicContact CZ3-CD1 3.66Å; W55-L103 HydrophobicContact CZ3-CD2 3.98Å; W55-L103 HydrophobicContact CZ3-CG 3.63Å; L57-L103 HydrophobicContact CD2-CD1 4.16Å; L57-L103 HydrophobicContact CD2-CD2 4.16Å; Y66-L103 HydrophobicContact CD1-CD1 3.61Å; Y66-L103 HydrophobicContact CD2-CD1 3.87Å; Y66-L103 HydrophobicContact CE1-CD1 4.12Å; Y66-L103 HydrophobicContact CE2-CD1 4.33Å; Y66-L103 HydrophobicContact CG-CD1 3.46Å; Y66-L103 VanDerWaalsContact CG-CD1 3.46Å; E99-L103 PolarHBondContact O-N 2.87Å; A100-L103 PolarHBondContact O-N 2.87Å; E101-L103 VanDerWaalsContact C-N 3.32Å; E101-L103 PolarHBondContact O-N 2.77Å; L103-D105 VanDerWaalsContact C-N 3.28Å; L103-D105 PolarHBondContact O-N 3.38Å; L103-Y106 PolarHBondContact O-N 3.26Å; L103-F107 HydrophobicContact CD2-CD2 4.35Å; L103-F107 HydrophobicContact CD2-CE2 4Å; L103-F107 WeakPolarHBondContact O-CB 3.36Å; L103-F107 WeakPolarHBondContact O-CD2 3.24Å; L103-F107 PolarHBondContact O-N 3.27Å
104	R	98.6	Very high	93.9	Very high	94 Å²	94	53.4 Å²	53.4	36%	0.355	26%	0.261	S	S	.	.	H	α-helix	trans	-61.7	-37.3	175.3	-73.4	177.4	-164.8	118.5	-4.7	111.7	L17 E97 A100 E101 Q108 L109	L17-R104 HydrophobicContact CD1-CG 4.34Å; E97-R104 IonicContact OE1-CZ 3.7Å; E97-R104 IonicContact OE1-NH1 2.75Å; E97-R104 PolarHBondContact OE1-NH1 3.08Å; E97-R104 IonicContact OE1-NH2 3.74Å; A100-R104 WeakPolarHBondContact O-CB 3.48Å; A100-R104 VanDerWaalsContact O-CG 3.27Å; A100-R104 WeakPolarHBondContact O-CG 3.22Å; A100-R104 PolarHBondContact O-N 3.08Å; E101-R104 PolarHBondContact O-N 3.36Å; R104-Q108 CarbonylContact O-C 3.57Å; R104-Q108 VanDerWaalsContact O-CA 3.23Å; R104-Q108 WeakPolarHBondContact O-CA 3.35Å; R104-Q108 PolarHBondContact O-N 3.38Å; R104-L109 HydrophobicContact CB-CB 4.45Å; R104-L109 HydrophobicContact CG-CB 4.41Å; R104-L109 HydrophobicContact CG-CD1 4.14Å; R104-L109 PolarHBondContact O-N 2.91Å
105	D	98.4	Very high	95.3	Very high	65 Å²	65	50.3 Å²	50.3	35%	0.348	25%	0.249	S	C	.	.	H	α-helix	trans	-73	-51.1	175.3	-172.9	59.9	0	0	0	111.6	E101 M102 L103 F107 Q108 R141	E101-D105 WeakPolarHBondContact O-CB 3.47Å; E101-D105 PolarHBondContact O-N 3.22Å; M102-D105 PolarHBondContact O-N 3.05Å; L103-D105 VanDerWaalsContact C-N 3.28Å; L103-D105 PolarHBondContact O-N 3.38Å; D105-F107 VanDerWaalsContact C-N 3.3Å; D105-F107 PolarHBondContact O-N 3.42Å; D105-Q108 WeakPolarHBondContact O-CG 3.42Å; D105-Q108 PolarHBondContact O-N 2.92Å; D105-R141 VanDerWaalsContact CG-NH1 3.28Å; D105-R141 WeakPolarHBondContact O-CB 2.73Å; D105-R141 WeakPolarHBondContact OD1-CD 3.37Å; D105-R141 IonicContact OD1-CZ 2.72Å; D105-R141 IonicContact OD1-NE 3.23Å; D105-R141 IonicContact OD1-NH1 3.69Å; D105-R141 PolarHBondContact OD1-NH1 3.41Å; D105-R141 IonicContact OD2-NH1 3.94Å; D105-R141 PolarHBondContact OD2-NH1 2.94Å
106	Y	98.7	Very high	96.4	Very high	10 Å²	10	46.2 Å²	46.2	4%	0.039	23%	0.23	C	C	.	.	H	α-helix	trans	-58.4	-41.7	-178.5	-175.4	-103.2	0	0	0	112.5	W38 I50 M102 L103 L140 R141 Q142	W38-Y106 HydrophobicContact CZ2-CE1 4.2Å; W38-Y106 AromaticContact NE1-CE1 3.94Å; W38-Y106 AromaticContact NE1-CZ 3.87Å; W38-Y106 PolarHBondContact NE1-OH 2.75Å; I50-Y106 HydrophobicContact CD1-CD1 3.76Å; I50-Y106 HydrophobicContact CD1-CD2 4.38Å; I50-Y106 HydrophobicContact CD1-CE1 4.01Å; I50-Y106 HydrophobicContact CD1-CG 3.94Å; I50-Y106 HydrophobicContact CG1-CD1 4.35Å; I50-Y106 HydrophobicContact CG1-CD2 4.27Å; I50-Y106 HydrophobicContact CG1-CE1 4.26Å; I50-Y106 HydrophobicContact CG1-CE2 4.18Å; I50-Y106 HydrophobicContact CG1-CG 4.33Å; I50-Y106 HydrophobicContact CG2-CD2 4.06Å; I50-Y106 HydrophobicContact CG2-CG 4.39Å; M102-Y106 WeakPolarHBondContact O-CB 3.41Å; M102-Y106 PolarHBondContact O-N 3.34Å; L103-Y106 PolarHBondContact O-N 3.26Å; Y106-L140 HydrophobicContact CD1-CD2 4.04Å; Y106-L140 HydrophobicContact CE1-CD1 4.1Å; Y106-L140 HydrophobicContact CE1-CD2 3.7Å; Y106-L140 HydrophobicContact CE1-CG 4.37Å; Y106-L140 CarbonylContact O-C 3.47Å; Y106-L140 WeakPolarHBondContact O-CA 3.32Å; Y106-R141 PolarHBondContact O-N 3.12Å; Y106-Q142 HydrophobicContact CE2-CG 4.15Å
107	F	98.6	Very high	97.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	8.8	173.3	-67.4	-68.3	0	0	0	112.8	L24 L26 T29 L30 L57 L64 L103 D105 L109 R138 L140	L24-F107 HydrophobicContact CD1-CD1 3.7Å; L24-F107 HydrophobicContact CD1-CE1 3.96Å; L24-F107 HydrophobicContact CD1-CG 4.46Å; L24-F107 HydrophobicContact CD2-CB 4.48Å; L24-F107 HydrophobicContact CD2-CD1 3.87Å; L24-F107 HydrophobicContact CD2-CD2 4.19Å; L24-F107 HydrophobicContact CD2-CE1 4.07Å; L24-F107 HydrophobicContact CD2-CE2 4.37Å; L24-F107 HydrophobicContact CD2-CG 3.95Å; L24-F107 HydrophobicContact CD2-CZ 4.32Å; L24-F107 HydrophobicContact CG-CD1 4.47Å; L26-F107 HydrophobicContact CD2-CE1 4.34Å; L26-F107 HydrophobicContact CD2-CZ 3.91Å; T29-F107 HydrophobicContact CG2-CE1 4.4Å; L30-F107 HydrophobicContact CD2-CE1 3.98Å; L30-F107 HydrophobicContact CD2-CZ 4.22Å; L57-F107 HydrophobicContact CD1-CE2 3.63Å; L57-F107 HydrophobicContact CD1-CZ 3.55Å; L64-F107 HydrophobicContact CD2-CD2 4.32Å; L64-F107 HydrophobicContact CD2-CE2 4.29Å; L103-F107 HydrophobicContact CD2-CD2 4.35Å; L103-F107 HydrophobicContact CD2-CE2 4Å; L103-F107 WeakPolarHBondContact O-CB 3.36Å; L103-F107 WeakPolarHBondContact O-CD2 3.24Å; L103-F107 PolarHBondContact O-N 3.27Å; D105-F107 VanDerWaalsContact C-N 3.3Å; D105-F107 PolarHBondContact O-N 3.42Å; F107-L109 HydrophobicContact CB-CD1 4.49Å; F107-L109 HydrophobicContact CB-CD2 3.65Å; F107-L109 HydrophobicContact CB-CG 3.81Å; F107-L109 PolarHBondContact O-N 3.24Å; F107-R138 WeakPolarHBondContact O-CD 3.46Å; F107-L140 HydrophobicContact CD1-CD2 3.49Å; F107-L140 VanDerWaalsContact CD1-CD2 3.49Å; F107-L140 HydrophobicContact CE1-CD2 3.59Å
108	Q	98.5	Very high	97.6	Very high	12 Å²	12	47.8 Å²	47.8	6%	0.056	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.6	43.6	178.2	-56.6	-171.6	75.5	0	0	114.2	R104 D105 H110 V111 R138 M139 R141 W318	R104-Q108 CarbonylContact O-C 3.57Å; R104-Q108 VanDerWaalsContact O-CA 3.23Å; R104-Q108 WeakPolarHBondContact O-CA 3.35Å; R104-Q108 PolarHBondContact O-N 3.38Å; D105-Q108 WeakPolarHBondContact O-CG 3.42Å; D105-Q108 PolarHBondContact O-N 2.92Å; Q108-H110 PolarHBondContact O-N 3.27Å; Q108-H110 VanDerWaalsContact O-N 3.08Å; Q108-V111 PolarHBondContact O-N 2.78Å; Q108-R138 PolarHBondContact O-NH1 3.2Å; Q108-M139 PolarHBondContact NE2-O 3.02Å; Q108-R141 HydrophobicContact CG-CB 3.64Å; Q108-W318 HydrophobicContact CB-CH2 3.9Å; Q108-W318 HydrophobicContact CB-CZ2 4.41Å; Q108-W318 VanDerWaalsContact NE2-CZ2 3.35Å
109	L	98.2	Very high	97.8	Very high	40 Å²	40	50.8 Å²	50.8	21%	0.209	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-10	-170.6	-62.6	-177.1	0	0	0	113.5	L17 R104 F107 V111	L17-L109 HydrophobicContact CD1-CD1 4.27Å; R104-L109 HydrophobicContact CB-CB 4.45Å; R104-L109 HydrophobicContact CG-CB 4.41Å; R104-L109 HydrophobicContact CG-CD1 4.14Å; R104-L109 PolarHBondContact O-N 2.91Å; F107-L109 HydrophobicContact CB-CD1 4.49Å; F107-L109 HydrophobicContact CB-CD2 3.65Å; F107-L109 HydrophobicContact CB-CG 3.81Å; F107-L109 PolarHBondContact O-N 3.24Å; L109-V111 VanDerWaalsContact C-N 3.28Å
110	H	97.5	Very high	98	Very high	139 Å²	139	50.5 Å²	50.5	64%	0.644	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-23	172.1	64.2	-86.9	0	0	0	112.8	Q108	Q108-H110 PolarHBondContact O-N 3.27Å; Q108-H110 VanDerWaalsContact O-N 3.08Å
111	V	98.2	Very high	98.1	Very high	13 Å²	13	50.9 Å²	50.9	8%	0.079	24%	0.244	C	C	.	.	S	Bend	trans	-81.9	123.9	175.1	-177.1	0	0	0	0	109.3	Q108 L109 L113 L116 R138 Y315 W318	Q108-V111 PolarHBondContact O-N 2.78Å; L109-V111 VanDerWaalsContact C-N 3.28Å; V111-L113 PolarHBondContact O-N 3.31Å; V111-L113 VanDerWaalsContact O-N 3.16Å; V111-L116 HydrophobicContact CG1-CD1 3.67Å; V111-L116 HydrophobicContact CG1-CG 4.45Å; V111-R138 PolarHBondContact O-NH1 3.25Å; V111-R138 PolarHBondContact O-NH2 3.22Å; V111-Y315 HydrophobicContact CG1-CE1 4.27Å; V111-W318 HydrophobicContact CB-CH2 3.9Å; V111-W318 HydrophobicContact CB-CZ3 4.15Å; V111-W318 HydrophobicContact CG1-CH2 3.98Å; V111-W318 HydrophobicContact CG1-CZ3 3.9Å; V111-W318 HydrophobicContact CG2-CH2 3.86Å; V111-W318 HydrophobicContact CG2-CZ2 4.49Å
112	K	98	Very high	98.1	Very high	145 Å²	145	49.9 Å²	49.9	63%	0.63	26%	0.255	S	S	*	.			trans	-78.7	97.8	176.7	-64.6	-178.7	-178.9	178.2	0	110.2	G114 D115 L116	K112-G114 VanDerWaalsContact C-N 3.29Å; K112-G114 PolarHBondContact O-N 2.85Å; K112-D115 HydrophobicContact CB-CB 4.34Å; K112-D115 WeakPolarHBondContact CB-OD2 3.38Å; K112-D115 WeakPolarHBondContact CD-OD2 3.37Å; K112-D115 PolarHBondContact O-N 3.08Å; K112-L116 PolarHBondContact O-N 2.92Å
113	L	98.2	Very high	98.1	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-67.4	-33.5	-174.2	-173.3	64.6	0	0	0	111.7	E23 V111 D115 L116 Y117 W120 R138 W318	E23-L113 WeakPolarHBondContact O-CD2 3.4Å; E23-L113 PolarHBondContact OE1-N 2.98Å; E23-L113 WeakPolarHBondContact OE2-CB 3.48Å; E23-L113 PolarHBondContact OE2-N 3.21Å; V111-L113 PolarHBondContact O-N 3.31Å; V111-L113 VanDerWaalsContact O-N 3.16Å; L113-D115 PolarHBondContact O-N 2.91Å; L113-L116 HydrophobicContact CD1-CD1 4.3Å; L113-L116 PolarHBondContact O-N 3.23Å; L113-Y117 HydrophobicContact CD1-CD2 3.88Å; L113-Y117 HydrophobicContact CD1-CE2 3.68Å; L113-Y117 HydrophobicContact CD2-CD2 4.49Å; L113-Y117 HydrophobicContact CD2-CE2 3.91Å; L113-Y117 HydrophobicContact CG-CD2 3.73Å; L113-Y117 HydrophobicContact CG-CE2 3.59Å; L113-Y117 WeakPolarHBondContact O-CD2 3.38Å; L113-Y117 PolarHBondContact O-N 3.34Å; L113-W120 HydrophobicContact CD1-CH2 4.38Å; L113-W120 HydrophobicContact CD1-CZ3 4.35Å; L113-R138 VanDerWaalsContact CB-NH2 3.29Å; L113-R138 HydrophobicContact CD2-CB 4.31Å; L113-W318 HydrophobicContact CD1-CE3 4.06Å; L113-W318 HydrophobicContact CD1-CZ3 4.32Å
114	G	97.4	Very high	98.1	Very high	22 Å²	22	51 Å²	51	23%	0.227	27%	0.269	C	S	.	.	H	α-helix	trans	-58.4	-32.4	174.8	0	0	0	0	0	113.9	E23 K112 K118	E23-G114 PolarHBondContact OE1-N 3.23Å; K112-G114 VanDerWaalsContact C-N 3.29Å; K112-G114 PolarHBondContact O-N 2.85Å; G114-K118 VanDerWaalsContact O-CG 3.3Å; G114-K118 WeakPolarHBondContact O-CG 3.45Å; G114-K118 PolarHBondContact O-N 2.84Å
115	D	98.1	Very high	97.9	Very high	64 Å²	64	50.8 Å²	50.8	34%	0.342	28%	0.282	S	S	.	.	H	α-helix	trans	-74.7	-43.1	177.5	-65.9	-26.3	0	0	0	110.8	K112 L113 Y117 K118 E119	K112-D115 HydrophobicContact CB-CB 4.34Å; K112-D115 WeakPolarHBondContact CB-OD2 3.38Å; K112-D115 WeakPolarHBondContact CD-OD2 3.37Å; K112-D115 PolarHBondContact O-N 3.08Å; L113-D115 PolarHBondContact O-N 2.91Å; D115-Y117 VanDerWaalsContact C-N 3.34Å; D115-Y117 PolarHBondContact O-N 3.04Å; D115-K118 WeakPolarHBondContact O-CB 3.2Å; D115-K118 PolarHBondContact O-N 3.06Å; D115-K118 VanDerWaalsContact O-N 3.12Å; D115-K118 IonicContact OD1-NZ 3.7Å; D115-K118 PolarHBondContact OD1-NZ 3.43Å; D115-E119 PolarHBondContact O-N 3.15Å
116	L	98.4	Very high	97.7	Very high	13 Å²	13	49.6 Å²	49.6	7%	0.068	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-43.5	172.8	-64.6	179.4	0	0	0	112.4	V111 K112 L113 K118 E119 W120 Y315 W318	V111-L116 HydrophobicContact CG1-CD1 3.67Å; V111-L116 HydrophobicContact CG1-CG 4.45Å; K112-L116 PolarHBondContact O-N 2.92Å; L113-L116 HydrophobicContact CD1-CD1 4.3Å; L113-L116 PolarHBondContact O-N 3.23Å; L116-K118 VanDerWaalsContact C-N 3.28Å; L116-K118 PolarHBondContact O-N 2.89Å; L116-E119 PolarHBondContact O-N 2.69Å; L116-W120 HydrophobicContact CB-CD2 4.22Å; L116-W120 HydrophobicContact CB-CE3 4.1Å; L116-W120 HydrophobicContact CB-CH2 3.55Å; L116-W120 HydrophobicContact CB-CZ2 3.64Å; L116-W120 HydrophobicContact CB-CZ3 3.79Å; L116-W120 HydrophobicContact CD1-CH2 3.79Å; L116-W120 HydrophobicContact CD1-CZ2 3.9Å; L116-W120 HydrophobicContact CD2-CZ2 4.23Å; L116-W120 HydrophobicContact CG-CH2 4.24Å; L116-W120 HydrophobicContact CG-CZ2 4.14Å; L116-W120 PolarHBondContact O-N 2.97Å; L116-Y315 HydrophobicContact CD1-CD1 3.95Å; L116-Y315 HydrophobicContact CD1-CE1 4.38Å; L116-Y315 HydrophobicContact CD1-CG 4.14Å; L116-Y315 HydrophobicContact CD2-CD2 3.87Å; L116-Y315 HydrophobicContact CD2-CE2 4.38Å; L116-Y315 HydrophobicContact CD2-CG 3.96Å; L116-W318 HydrophobicContact CD1-CE3 4Å; L116-W318 HydrophobicContact CD1-CZ3 4.34Å
117	Y	98.4	Very high	97.7	Very high	19 Å²	19	49.1 Å²	49.1	8%	0.075	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-35.8	176.8	-92.6	-123.9	0	0	0	112.7	L113 D115 W120 G121 F127 F134 V137 V322	L113-Y117 HydrophobicContact CD1-CD2 3.88Å; L113-Y117 HydrophobicContact CD1-CE2 3.68Å; L113-Y117 HydrophobicContact CD2-CD2 4.49Å; L113-Y117 HydrophobicContact CD2-CE2 3.91Å; L113-Y117 HydrophobicContact CG-CD2 3.73Å; L113-Y117 HydrophobicContact CG-CE2 3.59Å; L113-Y117 WeakPolarHBondContact O-CD2 3.38Å; L113-Y117 PolarHBondContact O-N 3.34Å; D115-Y117 VanDerWaalsContact C-N 3.34Å; D115-Y117 PolarHBondContact O-N 3.04Å; Y117-W120 AromaticContact CD2-CE3 3.97Å; Y117-W120 HydrophobicContact CD2-CE3 3.97Å; Y117-W120 AromaticContact CD2-CZ3 3.65Å; Y117-W120 HydrophobicContact CD2-CZ3 3.65Å; Y117-W120 HydrophobicContact CE2-CE3 4.45Å; Y117-W120 AromaticContact CE2-CZ3 3.87Å; Y117-W120 HydrophobicContact CE2-CZ3 3.87Å; Y117-G121 PolarHBondContact O-N 3.45Å; Y117-F127 HydrophobicContact CD1-CE1 4.38Å; Y117-F127 HydrophobicContact CG-CE1 4.42Å; Y117-F134 WeakPolarHBondContact CE1-O 3.35Å; Y117-F134 PolarHBondContact OH-O 3.5Å; Y117-V137 PolarHBondContact OH-N 3.42Å; Y117-V322 HydrophobicContact CE2-CG2 4.04Å; Y117-V322 WeakPolarHBondContact OH-CG2 3.29Å
118	K	97.8	Very high	97.5	Very high	136 Å²	136	53.7 Å²	53.7	59%	0.591	29%	0.293	S	S	*	.	H	α-helix	trans	-67.7	-46.1	174.9	-68.2	165.6	-160.8	158.7	0	110.8	G114 D115 L116 G121 A122	G114-K118 VanDerWaalsContact O-CG 3.3Å; G114-K118 WeakPolarHBondContact O-CG 3.45Å; G114-K118 PolarHBondContact O-N 2.84Å; D115-K118 WeakPolarHBondContact O-CB 3.2Å; D115-K118 PolarHBondContact O-N 3.06Å; D115-K118 VanDerWaalsContact O-N 3.12Å; D115-K118 IonicContact OD1-NZ 3.7Å; D115-K118 PolarHBondContact OD1-NZ 3.43Å; L116-K118 VanDerWaalsContact C-N 3.28Å; L116-K118 PolarHBondContact O-N 2.89Å; K118-G121 PolarHBondContact O-N 2.78Å; K118-A122 WeakPolarHBondContact O-CB 3.16Å; K118-A122 PolarHBondContact O-N 3.31Å
119	E	97.9	Very high	97.3	Very high	123 Å²	123	60 Å²	60	58%	0.575	32%	0.32	S	S	*	.	H	α-helix	trans	-61.1	-51.2	179.5	-70.6	176.7	-169.3	0	0	111.6	D115 L116 G121 A122 A123	D115-E119 PolarHBondContact O-N 3.15Å; L116-E119 PolarHBondContact O-N 2.69Å; E119-G121 VanDerWaalsContact C-N 3.34Å; E119-G121 PolarHBondContact O-N 3.48Å; E119-A122 PolarHBondContact O-N 2.88Å; E119-A123 PolarHBondContact O-N 2.87Å
120	W	98.3	Very high	97.1	Very high	3 Å²	3	59 Å²	59	1%	0.011	32%	0.315	C	S	.	.	H	α-helix	trans	-64.8	-38.5	178.3	-56.7	-34	0	0	0	112.3	L113 L116 Y117 A122 A123 D124 F127 W312 Y315 W318 A319	L113-W120 HydrophobicContact CD1-CH2 4.38Å; L113-W120 HydrophobicContact CD1-CZ3 4.35Å; L116-W120 HydrophobicContact CB-CD2 4.22Å; L116-W120 HydrophobicContact CB-CE3 4.1Å; L116-W120 HydrophobicContact CB-CH2 3.55Å; L116-W120 HydrophobicContact CB-CZ2 3.64Å; L116-W120 HydrophobicContact CB-CZ3 3.79Å; L116-W120 HydrophobicContact CD1-CH2 3.79Å; L116-W120 HydrophobicContact CD1-CZ2 3.9Å; L116-W120 HydrophobicContact CD2-CZ2 4.23Å; L116-W120 HydrophobicContact CG-CH2 4.24Å; L116-W120 HydrophobicContact CG-CZ2 4.14Å; L116-W120 PolarHBondContact O-N 2.97Å; Y117-W120 AromaticContact CD2-CE3 3.97Å; Y117-W120 HydrophobicContact CD2-CE3 3.97Å; Y117-W120 AromaticContact CD2-CZ3 3.65Å; Y117-W120 HydrophobicContact CD2-CZ3 3.65Å; Y117-W120 HydrophobicContact CE2-CE3 4.45Å; Y117-W120 AromaticContact CE2-CZ3 3.87Å; Y117-W120 HydrophobicContact CE2-CZ3 3.87Å; W120-A122 VanDerWaalsContact C-N 3.3Å; W120-A122 PolarHBondContact O-N 2.91Å; W120-A123 PolarHBondContact O-N 3.11Å; W120-D124 WeakPolarHBondContact O-CB 3.39Å; W120-D124 PolarHBondContact O-N 2.77Å; W120-F127 HydrophobicContact CB-CD1 3.62Å; W120-F127 HydrophobicContact CB-CD2 4.44Å; W120-F127 HydrophobicContact CB-CE1 3.63Å; W120-F127 HydrophobicContact CB-CE2 4.43Å; W120-F127 HydrophobicContact CB-CG 4.08Å; W120-F127 HydrophobicContact CB-CZ 4.08Å; W120-F127 HydrophobicContact CD2-CE1 4.47Å; W120-F127 HydrophobicContact CD2-CZ 4.17Å; W120-F127 AromaticContact CE3-CE1 3.83Å; W120-F127 HydrophobicContact CE3-CE1 3.83Å; W120-F127 HydrophobicContact CE3-CE2 4.01Å; W120-F127 AromaticContact CE3-CZ 3.35Å; W120-F127 HydrophobicContact CE3-CZ 3.35Å; W120-F127 HydrophobicContact CG-CE1 4.47Å; W120-F127 HydrophobicContact CZ3-CZ 4.07Å; W120-W312 AromaticContact CD1-CD1 3.8Å; W120-W312 AromaticContact CD1-CG 3.92Å; W120-W312 HydrophobicContact CG-CB 4.49Å; W120-W312 HydrophobicContact CG-CG 4.34Å; W120-W312 PolarHBondContact NE1-O 3.38Å; W120-Y315 WeakPolarHBondContact CZ2-O 3.3Å; W120-W318 HydrophobicContact CH2-CB 3.53Å; W120-W318 HydrophobicContact CZ2-CB 3.85Å; W120-A319 HydrophobicContact CD2-CB 3.56Å; W120-A319 HydrophobicContact CE3-CB 3.95Å; W120-A319 HydrophobicContact CG-CB 3.89Å; W120-A319 HydrophobicContact CH2-CB 4.31Å; W120-A319 HydrophobicContact CZ2-CB 3.97Å; W120-A319 HydrophobicContact CZ3-CB 4.3Å
121	G	97.7	Very high	96.9	Very high	11 Å²	11	52.7 Å²	52.7	11%	0.113	29%	0.286	C	S	.	.	H	α-helix	trans	-67	-29.3	176	0	0	0	0	0	113.7	Y117 K118 E119	Y117-G121 PolarHBondContact O-N 3.45Å; K118-G121 PolarHBondContact O-N 2.78Å; E119-G121 VanDerWaalsContact C-N 3.34Å; E119-G121 PolarHBondContact O-N 3.48Å
122	A	97.7	Very high	96.4	Very high	92 Å²	92	56.2 Å²	56.2	76%	0.76	31%	0.305	S	S	*	.	H	α-helix	trans	-75.3	-37.3	173.6	0	0	0	0	0	112	K118 E119 W120	K118-A122 WeakPolarHBondContact O-CB 3.16Å; K118-A122 PolarHBondContact O-N 3.31Å; E119-A122 PolarHBondContact O-N 2.88Å; W120-A122 VanDerWaalsContact C-N 3.3Å; W120-A122 PolarHBondContact O-N 2.91Å
123	A	97.4	Very high	96.2	Very high	56 Å²	56	50.9 Å²	50.9	46%	0.463	28%	0.282	S	S	.	.	H	α-helix	trans	-76.4	-27.9	177.2	0	0	0	0	0	113.3	E119 W120 L311	E119-A123 PolarHBondContact O-N 2.87Å; W120-A123 PolarHBondContact O-N 3.11Å; A123-L311 WeakPolarHBondContact CB-O 3.5Å
124	D	97.6	Very high	96	Very high	12 Å²	12	50.8 Å²	50.8	6%	0.064	28%	0.282	C	S	.	.			trans	-140.7	108.1	-171.8	179.1	9.6	0	0	0	113.3	W120 H126 F127 K128 Y285 L311 W312	W120-D124 WeakPolarHBondContact O-CB 3.39Å; W120-D124 PolarHBondContact O-N 2.77Å; D124-H126 VanDerWaalsContact C-N 3.28Å; D124-H126 PolarHBondContact O-N 2.65Å; D124-H126 WeakPolarHBondContact OD1-CA 3.11Å; D124-H126 WeakPolarHBondContact OD1-CB 3.33Å; D124-H126 PolarHBondContact OD1-N 3.39Å; D124-F127 HydrophobicContact CB-CB 3.82Å; D124-F127 PolarHBondContact O-N 3.22Å; D124-F127 PolarHBondContact OD1-N 3.1Å; D124-F127 VanDerWaalsContact OD2-CB 3.25Å; D124-F127 WeakPolarHBondContact OD2-CB 3.45Å; D124-F127 PolarHBondContact OD2-N 2.71Å; D124-K128 PolarHBondContact O-N 2.87Å; D124-Y285 VanDerWaalsContact OD2-CE1 3.23Å; D124-Y285 WeakPolarHBondContact OD2-CE1 3.35Å; D124-Y285 VanDerWaalsContact OD2-CZ 3.27Å; D124-Y285 PolarHBondContact OD2-OH 3.39Å; D124-L311 HydrophobicContact CB-CD1 4.26Å; D124-L311 HydrophobicContact CB-CD2 4.1Å; D124-L311 HydrophobicContact CB-CG 4.29Å; D124-W312 WeakPolarHBondContact OD2-CZ2 3.35Å; D124-W312 PolarHBondContact OD2-NE1 2.92Å
125	S	95.1	Very high	95.9	Very high	90 Å²	90	52 Å²	52	63%	0.629	29%	0.285	S	S	*	.	H	α-helix	trans	-63.8	-27.5	177.3	70.4	0	0	0	0	114.3	K129	S125-K129 WeakPolarHBondContact O-CG 3.19Å; S125-K129 PolarHBondContact O-N 2.72Å
126	H	95	Very high	95.9	Very high	40 Å²	40	49 Å²	49	19%	0.185	27%	0.269	C	S	.	.	H	α-helix	trans	-70.5	-50.8	174.1	177.9	82.7	0	0	0	109.7	D124 K128 K129 I130 D284 Y285	D124-H126 VanDerWaalsContact C-N 3.28Å; D124-H126 PolarHBondContact O-N 2.65Å; D124-H126 WeakPolarHBondContact OD1-CA 3.11Å; D124-H126 WeakPolarHBondContact OD1-CB 3.33Å; D124-H126 PolarHBondContact OD1-N 3.39Å; H126-K128 PolarHBondContact O-N 2.83Å; H126-K129 PolarHBondContact O-N 3.22Å; H126-I130 PolarHBondContact O-N 3.12Å; H126-D284 VanDerWaalsContact CE1-CB 3.48Å; H126-D284 WeakPolarHBondContact CE1-CB 3.22Å; H126-D284 IonicContact CE1-OD1 3.65Å; H126-D284 IonicContact CE1-OD2 2.74Å; H126-D284 IonicContact NE2-OD2 3.04Å; H126-Y285 HydrophobicContact CB-CE1 4.42Å; H126-Y285 AromaticContact CD2-CZ 3.89Å; H126-Y285 PolarHBondContact CD2-OH 2.86Å
127	F	96.8	Very high	95.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-53	-45.3	174.3	-175.8	-84.7	0	0	0	111.1	Y117 W120 D124 K129 I130 S131 W312 A319 V322 L323	Y117-F127 HydrophobicContact CD1-CE1 4.38Å; Y117-F127 HydrophobicContact CG-CE1 4.42Å; W120-F127 HydrophobicContact CB-CD1 3.62Å; W120-F127 HydrophobicContact CB-CD2 4.44Å; W120-F127 HydrophobicContact CB-CE1 3.63Å; W120-F127 HydrophobicContact CB-CE2 4.43Å; W120-F127 HydrophobicContact CB-CG 4.08Å; W120-F127 HydrophobicContact CB-CZ 4.08Å; W120-F127 HydrophobicContact CD2-CE1 4.47Å; W120-F127 HydrophobicContact CD2-CZ 4.17Å; W120-F127 AromaticContact CE3-CE1 3.83Å; W120-F127 HydrophobicContact CE3-CE1 3.83Å; W120-F127 HydrophobicContact CE3-CE2 4.01Å; W120-F127 AromaticContact CE3-CZ 3.35Å; W120-F127 HydrophobicContact CE3-CZ 3.35Å; W120-F127 HydrophobicContact CG-CE1 4.47Å; W120-F127 HydrophobicContact CZ3-CZ 4.07Å; D124-F127 HydrophobicContact CB-CB 3.82Å; D124-F127 PolarHBondContact O-N 3.22Å; D124-F127 PolarHBondContact OD1-N 3.1Å; D124-F127 VanDerWaalsContact OD2-CB 3.25Å; D124-F127 WeakPolarHBondContact OD2-CB 3.45Å; D124-F127 PolarHBondContact OD2-N 2.71Å; F127-K129 VanDerWaalsContact C-N 3.32Å; F127-K129 PolarHBondContact O-N 3.39Å; F127-I130 PolarHBondContact O-N 3.06Å; F127-I130 VanDerWaalsContact O-N 3.08Å; F127-S131 VanDerWaalsContact O-CB 3.32Å; F127-S131 WeakPolarHBondContact O-CB 3.2Å; F127-S131 PolarHBondContact O-N 2.96Å; F127-W312 HydrophobicContact CD2-CZ2 4.22Å; F127-A319 HydrophobicContact CD2-CB 4.46Å; F127-A319 HydrophobicContact CE2-CB 4.04Å; F127-V322 HydrophobicContact CE2-CB 3.78Å; F127-V322 HydrophobicContact CE2-CG1 4.17Å; F127-V322 HydrophobicContact CE2-CG2 3.92Å; F127-V322 HydrophobicContact CZ-CB 4.16Å; F127-V322 HydrophobicContact CZ-CG1 4.26Å; F127-V322 HydrophobicContact CZ-CG2 3.97Å; F127-L323 HydrophobicContact CD2-CD2 3.92Å; F127-L323 HydrophobicContact CD2-CG 4.27Å
128	K	95.9	Very high	95.8	Very high	96 Å²	96	47.7 Å²	47.7	42%	0.417	26%	0.263	S	S	.	.	H	α-helix	trans	-53.6	-46.6	-180	-174.8	57.9	-178.8	162.2	0	112.6	D124 H126 I130 S131 D132	D124-K128 PolarHBondContact O-N 2.87Å; H126-K128 PolarHBondContact O-N 2.83Å; K128-I130 VanDerWaalsContact C-N 3.34Å; K128-I130 PolarHBondContact O-N 2.95Å; K128-S131 PolarHBondContact O-N 3.32Å; K128-S131 PolarHBondContact O-OG 3.11Å; K128-D132 IonicContact NZ-OD1 3.86Å; K128-D132 PolarHBondContact O-N 3.11Å
129	K	94.2	Very high	95.8	Very high	146 Å²	146	41.2 Å²	41.2	64%	0.635	24%	0.235	S	C	*	.	H	α-helix	trans	-62.3	-39.3	179	-68.4	171.7	-176.5	177.3	0	112.8	S125 H126 F127	S125-K129 WeakPolarHBondContact O-CG 3.19Å; S125-K129 PolarHBondContact O-N 2.72Å; H126-K129 PolarHBondContact O-N 3.22Å; F127-K129 VanDerWaalsContact C-N 3.32Å; F127-K129 PolarHBondContact O-N 3.39Å
130	I	93.6	Very high	95.9	Very high	19 Å²	19	35.4 Å²	35.4	10%	0.097	21%	0.208	C	C	.	.	H	α-helix	trans	-73	-40.4	178.7	-62.4	-61.2	0	0	0	110.9	H126 F127 K128 D132 I133 F134 V322 L323 A326	H126-I130 PolarHBondContact O-N 3.12Å; F127-I130 PolarHBondContact O-N 3.06Å; F127-I130 VanDerWaalsContact O-N 3.08Å; K128-I130 VanDerWaalsContact C-N 3.34Å; K128-I130 PolarHBondContact O-N 2.95Å; I130-D132 PolarHBondContact O-N 3.34Å; I130-I133 PolarHBondContact O-N 3.26Å; I130-F134 HydrophobicContact CG2-CB 4.26Å; I130-F134 HydrophobicContact CG2-CD2 3.89Å; I130-F134 HydrophobicContact CG2-CG 4.36Å; I130-F134 PolarHBondContact O-N 2.8Å; I130-V322 HydrophobicContact CG2-CG1 4.49Å; I130-L323 HydrophobicContact CB-CD2 4.11Å; I130-L323 HydrophobicContact CG1-CD2 4.14Å; I130-L323 HydrophobicContact CG2-CD2 4.01Å; I130-A326 HydrophobicContact CG2-CB 3.55Å
131	S	92.4	Very high	95.9	Very high	5 Å²	5	37.7 Å²	37.7	4%	0.035	22%	0.217	C	C	.	.	H	α-helix	trans	-59.8	-31.1	-175.1	77.3	0	0	0	0	113.2	F127 K128 I133 F134 T135	F127-S131 VanDerWaalsContact O-CB 3.32Å; F127-S131 WeakPolarHBondContact O-CB 3.2Å; F127-S131 PolarHBondContact O-N 2.96Å; K128-S131 PolarHBondContact O-N 3.32Å; K128-S131 PolarHBondContact O-OG 3.11Å; S131-I133 PolarHBondContact O-N 2.82Å; S131-F134 CarbonylContact O-C 3.15Å; S131-T135 WeakPolarHBondContact O-CG2 3.34Å; S131-T135 PolarHBondContact O-N 3.28Å
132	D	88.4	Confident	95.9	Very high	88 Å²	88	37.3 Å²	37.3	47%	0.471	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.4	177	-65.1	-16.8	0	0	0	113.7	K128 I130 K338	K128-D132 IonicContact NZ-OD1 3.86Å; K128-D132 PolarHBondContact O-N 3.11Å; I130-D132 PolarHBondContact O-N 3.34Å; D132-K338 IonicContact OD2-NZ 2.93Å
133	I	93.1	Very high	95.9	Very high	32 Å²	32	36.7 Å²	36.7	16%	0.164	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-43.4	177.1	-58.7	159.1	0	0	0	109.9	R25 I130 S131 L334 K335 K338	R25-I133 PolarHBondContact NH1-O 2.92Å; R25-I133 VanDerWaalsContact NH1-O 3.1Å; I130-I133 PolarHBondContact O-N 3.26Å; S131-I133 PolarHBondContact O-N 2.82Å; I133-L334 HydrophobicContact CG2-CB 3.86Å; I133-K335 HydrophobicContact CD1-CG 4.32Å; I133-K338 HydrophobicContact CD1-CB 4.49Å; I133-K338 HydrophobicContact CD1-CD 3.8Å; I133-K338 HydrophobicContact CG1-CB 4.33Å; I133-K338 HydrophobicContact CG1-CD 3.26Å; I133-K338 HydrophobicContact CG1-CG 4.41Å
134	F	95.4	Very high	96	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-103.6	57.6	-174.9	-68.8	-93	0	0	0	110.7	L28 Y117 I130 S131 V137 V322 A326 F331 L334 K335	L28-F134 HydrophobicContact CD1-CD1 4.03Å; L28-F134 HydrophobicContact CD2-CD1 4.33Å; L28-F134 HydrophobicContact CD2-CE1 4.39Å; Y117-F134 WeakPolarHBondContact CE1-O 3.35Å; Y117-F134 PolarHBondContact OH-O 3.5Å; I130-F134 HydrophobicContact CG2-CB 4.26Å; I130-F134 HydrophobicContact CG2-CD2 3.89Å; I130-F134 HydrophobicContact CG2-CG 4.36Å; I130-F134 PolarHBondContact O-N 2.8Å; S131-F134 CarbonylContact O-C 3.15Å; F134-V137 HydrophobicContact CB-CG2 4.21Å; F134-V322 HydrophobicContact CB-CG1 3.98Å; F134-A326 HydrophobicContact CD1-CB 4.04Å; F134-A326 HydrophobicContact CD2-CB 3.63Å; F134-A326 HydrophobicContact CE1-CB 4.03Å; F134-A326 HydrophobicContact CE2-CB 3.64Å; F134-A326 HydrophobicContact CG-CB 3.86Å; F134-A326 HydrophobicContact CZ-CB 3.85Å; F134-F331 HydrophobicContact CE1-CB 3.63Å; F134-F331 HydrophobicContact CE1-CG 4.36Å; F134-F331 HydrophobicContact CZ-CB 4Å; F134-L334 HydrophobicContact CE1-CD1 4.11Å; F134-L334 HydrophobicContact CZ-CB 4.25Å; F134-L334 HydrophobicContact CZ-CD1 4.32Å; F134-K335 HydrophobicContact CE2-CD 4.42Å; F134-K335 HydrophobicContact CE2-CG 3.88Å; F134-K335 HydrophobicContact CZ-CG 4.38Å
135	T	95.3	Very high	96	Very high	47 Å²	47	34.6 Å²	34.6	29%	0.288	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	159	170.1	51.8	0	0	0	0	111.5	R25 S131 V137	R25-T135 VanDerWaalsContact CD-O 3.24Å; R25-T135 WeakPolarHBondContact CD-O 3.4Å; S131-T135 WeakPolarHBondContact O-CG2 3.34Å; S131-T135 PolarHBondContact O-N 3.28Å; T135-V137 PolarHBondContact O-N 2.73Å; T135-V137 VanDerWaalsContact O-N 3.14Å
136	G	96.9	Very high	96.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	16	172.5	0	0	0	0	0	115.8	K21 S22 L24 R25 T29 R138	K21-G136 WeakPolarHBondContact O-CA 3.26Å; S22-G136 WeakPolarHBondContact O-CA 3.45Å; S22-G136 PolarHBondContact O-N 3.39Å; L24-G136 CarbonylContact C-O 3.6Å; L24-G136 WeakPolarHBondContact CA-O 3.41Å; R25-G136 PolarHBondContact N-O 3.22Å; T29-G136 PolarHBondContact OG1-O 3.16Å; G136-R138 PolarHBondContact O-N 3.32Å
137	V	98.1	Very high	96.4	Very high	4 Å²	4	29 Å²	29	2%	0.024	14%	0.142	C	C	.	.			trans	-78.6	104.1	172.8	-175.3	0	0	0	0	107.6	L28 Y117 F134 T135 V322 C325	L28-V137 HydrophobicContact CB-CG2 3.89Å; L28-V137 HydrophobicContact CD1-CG2 3.8Å; Y117-V137 PolarHBondContact OH-N 3.42Å; F134-V137 HydrophobicContact CB-CG2 4.21Å; T135-V137 PolarHBondContact O-N 2.73Å; T135-V137 VanDerWaalsContact O-N 3.14Å; V137-V322 HydrophobicContact CB-CG1 4.48Å; V137-V322 HydrophobicContact CB-CG2 4.18Å; V137-V322 HydrophobicContact CG2-CG1 4.36Å; V137-C325 HydrophobicContact CG1-CB 4Å; V137-C325 HydrophobicContact CG2-CB 4.41Å
138	R	97.4	Very high	96.5	Very high	1 Å²	1	29 Å²	29	0%	0.004	14%	0.142	C	C	.	.			trans	-105.9	153.3	-174	-169.3	169.8	-69.5	-108.8	1.8	112.2	E23 L24 T29 Q34 F107 Q108 V111 L113 G136 W318	E23-R138 VanDerWaalsContact O-CZ 3.29Å; E23-R138 PolarHBondContact O-NE 2.96Å; E23-R138 PolarHBondContact O-NH2 2.9Å; E23-R138 IonicContact OE2-CZ 3.38Å; E23-R138 IonicContact OE2-NH2 3.28Å; E23-R138 PolarHBondContact OE2-NH2 3.28Å; L24-R138 HydrophobicContact CD1-CB 4.06Å; T29-R138 HydrophobicContact CG2-CB 4.44Å; T29-R138 WeakPolarHBondContact CG2-O 3.39Å; T29-R138 PolarHBondContact OG1-N 3.48Å; Q34-R138 PolarHBondContact NE2-O 2.97Å; Q34-R138 PolarHBondContact OE1-O 3.3Å; F107-R138 WeakPolarHBondContact O-CD 3.46Å; Q108-R138 PolarHBondContact O-NH1 3.2Å; V111-R138 PolarHBondContact O-NH1 3.25Å; V111-R138 PolarHBondContact O-NH2 3.22Å; L113-R138 VanDerWaalsContact CB-NH2 3.29Å; L113-R138 HydrophobicContact CD2-CB 4.31Å; G136-R138 PolarHBondContact O-N 3.32Å; R138-W318 HydrophobicContact CG-CZ3 4.19Å
139	M	98.3	Very high	96.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.122	C	C	.	.			trans	-83.7	126.7	170.3	-170.7	54.2	58.9	0	0	111.4	Q34 Q108 L262 M263 W318 S321	Q34-M139 PolarHBondContact OE1-SD 3.33Å; Q108-M139 PolarHBondContact NE2-O 3.02Å; M139-L262 HydrophobicContact CE-CD1 3.98Å; M139-L262 HydrophobicContact CE-CD2 3.55Å; M139-L262 HydrophobicContact CE-CG 3.62Å; M139-L262 HydrophobicContact CG-CD1 4.45Å; M139-L262 HydrophobicContact CG-CG 4.49Å; M139-L262 HydrophobicContact SD-CD1 4.42Å; M139-L262 HydrophobicContact SD-CD2 4.36Å; M139-L262 HydrophobicContact SD-CG 3.89Å; M139-M263 HydrophobicContact SD-CB 4.35Å; M139-M263 HydrophobicContact SD-CG 3.69Å; M139-W318 HydrophobicContact CB-CD2 3.51Å; M139-W318 HydrophobicContact CB-CE3 4.03Å; M139-W318 HydrophobicContact CB-CG 3.88Å; M139-W318 HydrophobicContact CB-CH2 4.28Å; M139-W318 HydrophobicContact CB-CZ2 3.82Å; M139-W318 HydrophobicContact CB-CZ3 4.38Å; M139-W318 HydrophobicContact CG-CD2 4.44Å; M139-W318 HydrophobicContact CG-CZ2 4.47Å; M139-S321 WeakPolarHBondContact CE-OG 3.35Å
140	L	98.6	Very high	96.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.			trans	-76.3	149.8	172.7	-58.3	178.8	0	0	0	111.2	T29 L30 Q34 T35 Y106 F107 Q142	T29-L140 HydrophobicContact CG2-CD2 3.69Å; T29-L140 HydrophobicContact CG2-CG 4.1Å; L30-L140 HydrophobicContact CD2-CD1 4.3Å; L30-L140 HydrophobicContact CD2-CD2 4.48Å; Q34-L140 HydrophobicContact CB-CD1 4.36Å; Q34-L140 VanDerWaalsContact OE1-N 3.1Å; T35-L140 HydrophobicContact CG2-CD1 3.43Å; T35-L140 VanDerWaalsContact CG2-CD1 3.43Å; Y106-L140 HydrophobicContact CD1-CD2 4.04Å; Y106-L140 HydrophobicContact CE1-CD1 4.1Å; Y106-L140 HydrophobicContact CE1-CD2 3.7Å; Y106-L140 HydrophobicContact CE1-CG 4.37Å; Y106-L140 CarbonylContact O-C 3.47Å; Y106-L140 WeakPolarHBondContact O-CA 3.32Å; F107-L140 HydrophobicContact CD1-CD2 3.49Å; F107-L140 VanDerWaalsContact CD1-CD2 3.49Å; F107-L140 HydrophobicContact CE1-CD2 3.59Å; L140-Q142 HydrophobicContact CB-CG 3.98Å
141	R	98.5	Very high	97	Very high	52 Å²	52	16.9 Å²	16.9	20%	0.196	9%	0.089	C	C	.	.			trans	-107.7	87.2	168.1	-169.6	178.7	-171.6	-124.5	4.4	109.2	D105 Y106 Q108 D266	D105-R141 VanDerWaalsContact CG-NH1 3.28Å; D105-R141 WeakPolarHBondContact O-CB 2.73Å; D105-R141 WeakPolarHBondContact OD1-CD 3.37Å; D105-R141 IonicContact OD1-CZ 2.72Å; D105-R141 IonicContact OD1-NE 3.23Å; D105-R141 IonicContact OD1-NH1 3.69Å; D105-R141 PolarHBondContact OD1-NH1 3.41Å; D105-R141 IonicContact OD2-NH1 3.94Å; D105-R141 PolarHBondContact OD2-NH1 2.94Å; Y106-R141 PolarHBondContact O-N 3.12Å; Q108-R141 HydrophobicContact CG-CB 3.64Å; R141-D266 IonicContact CZ-OD1 3.73Å; R141-D266 IonicContact CZ-OD2 2.69Å; R141-D266 IonicContact NE-OD1 2.56Å; R141-D266 PolarHBondContact NE-OD1 3.21Å; R141-D266 IonicContact NE-OD2 3.13Å; R141-D266 PolarHBondContact NE-OD2 3.45Å; R141-D266 IonicContact NH2-OD1 3.66Å; R141-D266 IonicContact NH2-OD2 2.89Å; R141-D266 PolarHBondContact NH2-OD2 3.44Å
142	Q	98.6	Very high	97.3	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.009	9%	0.087	C	C	.	.			trans	-81.1	164.7	-172.9	-65.7	178.3	92.2	0	0	112.2	Q34 T35 Y106 L140 C147 R235 M263 C264	Q34-Q142 PolarHBondContact O-NE2 2.84Å; Q34-Q142 PolarHBondContact O-OE1 3.37Å; T35-Q142 PolarHBondContact OG1-OE1 2.69Å; Y106-Q142 HydrophobicContact CE2-CG 4.15Å; L140-Q142 HydrophobicContact CB-CG 3.98Å; Q142-C147 HydrophobicContact CB-CB 4.02Å; Q142-R235 PolarHBondContact O-NH2 3.34Å; Q142-R235 VanDerWaalsContact O-NH2 3.1Å; Q142-M263 PolarHBondContact N-O 3Å; Q142-C264 HydrophobicContact CB-CB 4.16Å; Q142-C264 WeakPolarHBondContact O-CB 3.46Å
143	D	98.3	Very high	97.7	Very high	79 Å²	79	12.4 Å²	12.4	42%	0.422	6%	0.064	S	C	.	.			trans	-62.6	131	165.3	171.5	-99.1	0	0	0	109.8	T145 E146 C147	D143-T145 VanDerWaalsContact C-N 3.29Å; D143-T145 PolarHBondContact O-N 2.95Å; D143-T145 WeakPolarHBondContact OD1-CA 3.44Å; D143-T145 WeakPolarHBondContact OD1-CB 3.33Å; D143-T145 PolarHBondContact OD1-N 3.4Å; D143-E146 HydrophobicContact CB-CB 4.09Å; D143-E146 PolarHBondContact O-N 3.1Å; D143-E146 PolarHBondContact OD1-N 3.3Å; D143-C147 WeakPolarHBondContact O-CB 3.47Å; D143-C147 PolarHBondContact O-N 2.88Å
144	P	98.6	Very high	97.8	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.013	6%	0.061	C	C	.	.	H	α-helix	trans	-60.2	-33.1	-177.8	-28.8	37.8	0	0	0	115	L148 L231 V232 C264 L265	P144-L148 VanDerWaalsContact O-CB 3.23Å; P144-L148 WeakPolarHBondContact O-CB 3.26Å; P144-L148 PolarHBondContact O-N 2.97Å; P144-L231 HydrophobicContact CB-CB 3.82Å; P144-V232 HydrophobicContact CG-CG2 4.26Å; P144-C264 HydrophobicContact CG-CB 4.42Å; P144-L265 HydrophobicContact CB-CD2 4.1Å; P144-L265 HydrophobicContact CG-CD2 4.16Å
145	T	98.3	Very high	97.4	Very high	22 Å²	22	13.3 Å²	13.3	14%	0.135	7%	0.073	C	C	.	.	H	α-helix	trans	-71.3	-54.5	177.8	-54.7	0	0	0	0	109.4	D143 C147 L148 F149 F188 L191	D143-T145 VanDerWaalsContact C-N 3.29Å; D143-T145 PolarHBondContact O-N 2.95Å; D143-T145 WeakPolarHBondContact OD1-CA 3.44Å; D143-T145 WeakPolarHBondContact OD1-CB 3.33Å; D143-T145 PolarHBondContact OD1-N 3.4Å; T145-C147 VanDerWaalsContact C-N 3.27Å; T145-C147 PolarHBondContact O-N 3.15Å; T145-L148 PolarHBondContact O-N 3.46Å; T145-F149 HydrophobicContact CG2-CD2 3.73Å; T145-F149 HydrophobicContact CG2-CE2 3.84Å; T145-F149 VanDerWaalsContact O-CD2 3.22Å; T145-F149 WeakPolarHBondContact O-CD2 3.39Å; T145-F149 PolarHBondContact O-N 3.14Å; T145-F149 VanDerWaalsContact O-N 3.11Å; T145-F188 HydrophobicContact CG2-CD1 4.38Å; T145-F188 HydrophobicContact CG2-CE1 4.33Å; T145-L191 HydrophobicContact CG2-CD2 4Å; T145-L191 HydrophobicContact CG2-CG 4.08Å
146	E	98.6	Very high	97.1	Very high	13 Å²	13	18 Å²	18	6%	0.061	10%	0.096	C	C	.	.	H	α-helix	trans	-53.5	-46.9	177	176.7	169.2	112.3	0	0	111.4	R37 D143 S150 F188	R37-E146 WeakPolarHBondContact CG-OE1 3.38Å; R37-E146 IonicContact NE-OE2 3.68Å; R37-E146 PolarHBondContact NE-OE2 3.12Å; D143-E146 HydrophobicContact CB-CB 4.09Å; D143-E146 PolarHBondContact O-N 3.1Å; D143-E146 PolarHBondContact OD1-N 3.3Å; E146-S150 WeakPolarHBondContact O-CB 3.44Å; E146-S150 PolarHBondContact O-N 3.38Å; E146-S150 PolarHBondContact O-OG 3.1Å; E146-F188 HydrophobicContact CB-CB 4.2Å; E146-F188 HydrophobicContact CB-CD1 4.02Å; E146-F188 HydrophobicContact CB-CD2 3.87Å; E146-F188 HydrophobicContact CB-CE1 4.43Å; E146-F188 HydrophobicContact CB-CE2 4.26Å; E146-F188 HydrophobicContact CB-CG 3.74Å; E146-F188 HydrophobicContact CG-CB 4.41Å; E146-F188 HydrophobicContact CG-CD2 3.5Å; E146-F188 HydrophobicContact CG-CE2 3.85Å; E146-F188 HydrophobicContact CG-CG 3.9Å
147	C	98.7	Very high	96.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.9	-53.6	-179.3	-173.9	0	0	0	0	111.4	Q142 D143 T145 F149 S150 F151 C264	Q142-C147 HydrophobicContact CB-CB 4.02Å; D143-C147 WeakPolarHBondContact O-CB 3.47Å; D143-C147 PolarHBondContact O-N 2.88Å; T145-C147 VanDerWaalsContact C-N 3.27Å; T145-C147 PolarHBondContact O-N 3.15Å; C147-F149 PolarHBondContact O-N 3.23Å; C147-S150 PolarHBondContact O-N 3.36Å; C147-F151 WeakPolarHBondContact O-CB 3.35Å; C147-F151 VanDerWaalsContact O-CD2 3.26Å; C147-F151 WeakPolarHBondContact O-CD2 3.19Å; C147-F151 PolarHBondContact O-N 2.91Å; C147-C264 HydrophobicContact CB-CB 3.67Å; C147-C264 VanDerWaalsContact CB-SG 3.54Å
148	L	98.7	Very high	96.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-55.7	-54.8	-178.7	173.3	62	0	0	0	112.4	P144 T145 S150 F151 I152 I222 L231 L246 L249 V252 V260	P144-L148 VanDerWaalsContact O-CB 3.23Å; P144-L148 WeakPolarHBondContact O-CB 3.26Å; P144-L148 PolarHBondContact O-N 2.97Å; T145-L148 PolarHBondContact O-N 3.46Å; L148-S150 VanDerWaalsContact C-N 3.33Å; L148-S150 PolarHBondContact O-N 3.44Å; L148-F151 PolarHBondContact O-N 3.27Å; L148-F151 VanDerWaalsContact O-N 3.14Å; L148-I152 HydrophobicContact CD1-CD1 4.18Å; L148-I152 HydrophobicContact CD1-CG1 4.37Å; L148-I152 HydrophobicContact CG-CD1 4.23Å; L148-I152 WeakPolarHBondContact O-CG1 3.14Å; L148-I152 PolarHBondContact O-N 3.11Å; L148-I222 HydrophobicContact CD2-CD1 3.87Å; L148-L231 HydrophobicContact CD2-CD1 3.98Å; L148-L231 HydrophobicContact CD2-CD2 3.69Å; L148-L231 HydrophobicContact CD2-CG 4.49Å; L148-L246 HydrophobicContact CD1-CD2 4.38Å; L148-L249 HydrophobicContact CD1-CD1 4.31Å; L148-L249 HydrophobicContact CD2-CD1 3.68Å; L148-V252 HydrophobicContact CD1-CG2 3.85Å; L148-V260 HydrophobicContact CB-CG2 4.34Å; L148-V260 HydrophobicContact CD1-CG2 4.05Å
149	F	98.6	Very high	96.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-71.9	-29.4	-174.3	-70.3	-76.5	0	0	0	112.1	T145 C147 I152 C153 F188 L191 L194 L215 A219 I222	T145-F149 HydrophobicContact CG2-CD2 3.73Å; T145-F149 HydrophobicContact CG2-CE2 3.84Å; T145-F149 VanDerWaalsContact O-CD2 3.22Å; T145-F149 WeakPolarHBondContact O-CD2 3.39Å; T145-F149 PolarHBondContact O-N 3.14Å; T145-F149 VanDerWaalsContact O-N 3.11Å; C147-F149 PolarHBondContact O-N 3.23Å; F149-I152 HydrophobicContact CD1-CD1 4.13Å; F149-I152 HydrophobicContact CE1-CD1 4.4Å; F149-C153 PolarHBondContact O-SG 3.43Å; F149-C153 VanDerWaalsContact O-SG 3.36Å; F149-F188 HydrophobicContact CB-CE1 3.95Å; F149-F188 HydrophobicContact CB-CZ 3.72Å; F149-F188 HydrophobicContact CD2-CE1 4.46Å; F149-L191 HydrophobicContact CE2-CD2 3.5Å; F149-L191 HydrophobicContact CZ-CD2 3.83Å; F149-L194 HydrophobicContact CB-CD1 4.44Å; F149-L194 HydrophobicContact CD1-CD1 3.99Å; F149-L194 HydrophobicContact CD2-CD1 3.6Å; F149-L194 HydrophobicContact CE1-CD1 4.17Å; F149-L194 HydrophobicContact CE2-CD1 3.84Å; F149-L194 HydrophobicContact CG-CD1 3.73Å; F149-L194 HydrophobicContact CZ-CD1 4.12Å; F149-L215 HydrophobicContact CB-CD2 3.96Å; F149-L215 HydrophobicContact CD1-CB 4.36Å; F149-L215 HydrophobicContact CD1-CD2 3.67Å; F149-L215 VanDerWaalsContact CE1-O 3.23Å; F149-L215 WeakPolarHBondContact CE1-O 3.38Å; F149-L215 HydrophobicContact CG-CD2 4.3Å; F149-L215 WeakPolarHBondContact O-CD2 3.27Å; F149-A219 HydrophobicContact CE1-CB 3.9Å; F149-A219 HydrophobicContact CZ-CB 3.69Å; F149-I222 HydrophobicContact CZ-CD1 4.17Å
150	S	98.5	Very high	95.9	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.014	17%	0.172	C	C	.	.	H	α-helix	trans	-64.1	-44.3	168.2	-64.5	0	0	0	0	111.6	E146 C147 L148 C153	E146-S150 WeakPolarHBondContact O-CB 3.44Å; E146-S150 PolarHBondContact O-N 3.38Å; E146-S150 PolarHBondContact O-OG 3.1Å; C147-S150 PolarHBondContact O-N 3.36Å; L148-S150 VanDerWaalsContact C-N 3.33Å; L148-S150 PolarHBondContact O-N 3.44Å; S150-C153 VanDerWaalsContact O-CB 3.24Å; S150-C153 WeakPolarHBondContact O-CB 3.41Å; S150-C153 PolarHBondContact O-N 3.25Å; S150-C153 VanDerWaalsContact O-N 3.09Å
151	F	98.2	Very high	95.8	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.018	19%	0.193	C	C	.	.	H	α-helix	trans	-73.3	-27.7	-178	-85.7	-78	0	0	0	114.2	Q34 F36 C147 L148 C153 T154 V256 C259 V260 M263	Q34-F151 WeakPolarHBondContact O-CE2 3.34Å; F36-F151 HydrophobicContact CE2-CE1 4.47Å; F36-F151 HydrophobicContact CE2-CE2 4.44Å; F36-F151 HydrophobicContact CE2-CZ 4.22Å; C147-F151 WeakPolarHBondContact O-CB 3.35Å; C147-F151 VanDerWaalsContact O-CD2 3.26Å; C147-F151 WeakPolarHBondContact O-CD2 3.19Å; C147-F151 PolarHBondContact O-N 2.91Å; L148-F151 PolarHBondContact O-N 3.27Å; L148-F151 VanDerWaalsContact O-N 3.14Å; F151-C153 PolarHBondContact O-N 3.23Å; F151-T154 HydrophobicContact CB-CG2 4.48Å; F151-T154 HydrophobicContact CD1-CG2 3.64Å; F151-T154 HydrophobicContact CE1-CG2 4.06Å; F151-T154 HydrophobicContact CG-CG2 4.27Å; F151-T154 WeakPolarHBondContact O-CB 3.28Å; F151-T154 PolarHBondContact O-N 3.08Å; F151-T154 PolarHBondContact O-OG1 2.8Å; F151-V256 HydrophobicContact CB-CG1 4.07Å; F151-C259 HydrophobicContact CD1-CB 3.51Å; F151-C259 HydrophobicContact CD2-CB 4.27Å; F151-C259 HydrophobicContact CE1-CB 3.7Å; F151-C259 HydrophobicContact CE2-CB 4.43Å; F151-C259 HydrophobicContact CG-CB 3.85Å; F151-C259 HydrophobicContact CZ-CB 4.2Å; F151-V260 HydrophobicContact CB-CG2 4.28Å; F151-M263 HydrophobicContact CE1-CE 4.36Å; F151-M263 HydrophobicContact CE1-SD 4.17Å; F151-M263 HydrophobicContact CE2-SD 3.43Å; F151-M263 WeakPolarHBondContact CE2-SD 3.48Å; F151-M263 HydrophobicContact CZ-CE 3.85Å; F151-M263 HydrophobicContact CZ-SD 3.19Å; F151-M263 WeakPolarHBondContact CZ-SD 3.26Å
152	I	98.2	Very high	95.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-56.5	-35.3	167.1	-70.6	170.2	0	0	0	110.5	L148 F149 T154 S155 R211 F214 L215 V252	L148-I152 HydrophobicContact CD1-CD1 4.18Å; L148-I152 HydrophobicContact CD1-CG1 4.37Å; L148-I152 HydrophobicContact CG-CD1 4.23Å; L148-I152 WeakPolarHBondContact O-CG1 3.14Å; L148-I152 PolarHBondContact O-N 3.11Å; F149-I152 HydrophobicContact CD1-CD1 4.13Å; F149-I152 HydrophobicContact CE1-CD1 4.4Å; I152-T154 PolarHBondContact O-N 3.32Å; I152-S155 PolarHBondContact O-OG 3.28Å; I152-R211 WeakPolarHBondContact O-CD 3.4Å; I152-F214 HydrophobicContact CG2-CB 3.73Å; I152-L215 HydrophobicContact CB-CD2 3.88Å; I152-L215 HydrophobicContact CD1-CD2 4.4Å; I152-L215 HydrophobicContact CG2-CD2 3.72Å; I152-L215 HydrophobicContact CG2-CG 4.14Å; I152-V252 HydrophobicContact CD1-CG2 4.1Å; I152-V252 HydrophobicContact CG1-CG2 3.96Å
153	C	96.9	Very high	95.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-13.6	177.2	-61.3	0	0	0	0	114.5	F149 S150 F151 N157 I162 M165	F149-C153 PolarHBondContact O-SG 3.43Å; F149-C153 VanDerWaalsContact O-SG 3.36Å; S150-C153 VanDerWaalsContact O-CB 3.24Å; S150-C153 WeakPolarHBondContact O-CB 3.41Å; S150-C153 PolarHBondContact O-N 3.25Å; S150-C153 VanDerWaalsContact O-N 3.09Å; F151-C153 PolarHBondContact O-N 3.23Å; C153-N157 PolarHBondContact O-ND2 3.26Å; C153-I162 HydrophobicContact CB-CG2 4.32Å; C153-M165 HydrophobicContact CB-CE 4.15Å
154	T	94.8	Very high	95.5	Very high	16 Å²	16	34.5 Å²	34.5	10%	0.098	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-22.6	-172.3	70.3	0	0	0	0	114.4	F36 F151 I152 N156 N157 I162	F36-T154 HydrophobicContact CE2-CG2 3.87Å; F36-T154 HydrophobicContact CZ-CG2 3.69Å; F151-T154 HydrophobicContact CB-CG2 4.48Å; F151-T154 HydrophobicContact CD1-CG2 3.64Å; F151-T154 HydrophobicContact CE1-CG2 4.06Å; F151-T154 HydrophobicContact CG-CG2 4.27Å; F151-T154 WeakPolarHBondContact O-CB 3.28Å; F151-T154 PolarHBondContact O-N 3.08Å; F151-T154 PolarHBondContact O-OG1 2.8Å; I152-T154 PolarHBondContact O-N 3.32Å; T154-N156 PolarHBondContact O-N 2.87Å; T154-N157 WeakPolarHBondContact O-CB 3.38Å; T154-N157 PolarHBondContact O-N 3.03Å; T154-I162 HydrophobicContact CG2-CD1 3.87Å; T154-I162 HydrophobicContact CG2-CG1 4.41Å; T154-I162 HydrophobicContact CG2-CG2 4Å
155	S	88.5	Confident	95.5	Very high	34 Å²	34	34.4 Å²	34.4	24%	0.238	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	125.3	-178.5	56	0	0	0	0	110.8	I152 N157 R211	I152-S155 PolarHBondContact O-OG 3.28Å; S155-N157 PolarHBondContact O-N 3.09Å; S155-R211 VanDerWaalsContact O-CZ 3.27Å; S155-R211 PolarHBondContact O-NE 3.45Å; S155-R211 VanDerWaalsContact O-NE 3.1Å; S155-R211 PolarHBondContact O-NH2 3.07Å; S155-R211 PolarHBondContact OG-NE 3.1Å
156	N	87.8	Confident	95.5	Very high	147 Å²	147	33.3 Å²	33.3	79%	0.786	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.5	56.2	-178.3	-169	23.8	0	0	0	113.8	T154 R211	T154-N156 PolarHBondContact O-N 2.87Å; N156-R211 PolarHBondContact O-NH2 3.27Å
157	N	91.1	Very high	95.4	Very high	38 Å²	38	35.8 Å²	35.8	20%	0.203	19%	0.189	C	C	.	.			trans	-150.1	175.1	-173.9	-152.6	-12.3	0	0	0	111	C153 T154 S155 R161 I162 M165	C153-N157 PolarHBondContact O-ND2 3.26Å; T154-N157 WeakPolarHBondContact O-CB 3.38Å; T154-N157 PolarHBondContact O-N 3.03Å; S155-N157 PolarHBondContact O-N 3.09Å; N157-R161 WeakPolarHBondContact OD1-CB 3.28Å; N157-R161 WeakPolarHBondContact OD1-CD 3.26Å; N157-R161 VanDerWaalsContact OD1-CG 3.24Å; N157-R161 WeakPolarHBondContact OD1-CG 3.22Å; N157-I162 HydrophobicContact CB-CD1 4.03Å; N157-I162 HydrophobicContact CB-CG1 3.76Å; N157-I162 WeakPolarHBondContact ND2-CG1 3.08Å; N157-M165 PolarHBondContact ND2-SD 2.95Å
158	H	90.8	Very high	95.4	Very high	116 Å²	116	40 Å²	40	54%	0.537	21%	0.205	S	C	.	.			trans	-128.3	153	176.1	63.7	75.4	0	0	0	111.7	S160 R161 I162	H158-S160 PolarHBondContact O-N 3.36Å; H158-R161 WeakPolarHBondContact CE1-CB 3.43Å; H158-R161 PolarHBondContact CE1-N 3.46Å; H158-R161 PolarHBondContact ND1-N 3.41Å; H158-R161 PolarHBondContact O-N 3.42Å; H158-I162 WeakPolarHBondContact O-CG1 3.44Å; H158-I162 PolarHBondContact O-N 3.39Å
159	I	91.3	Very high	95.4	Very high	51 Å²	51	40 Å²	40	26%	0.262	21%	0.205	S	C	.	.	H	α-helix	trans	-48.4	-51.8	-167.9	-63.7	174.9	0	0	0	112.4	F36 R161 I162 Q163 L328	F36-I159 HydrophobicContact CE1-CG2 4.4Å; I159-R161 VanDerWaalsContact C-N 3.35Å; I159-R161 PolarHBondContact O-N 3.11Å; I159-I162 PolarHBondContact O-N 2.93Å; I159-Q163 WeakPolarHBondContact O-CB 3.11Å; I159-Q163 PolarHBondContact O-N 3.44Å; I159-L328 HydrophobicContact CD1-CD1 4.2Å; I159-L328 HydrophobicContact CD1-CD2 4.02Å
160	S	92.9	Very high	95.4	Very high	89 Å²	89	40 Å²	40	62%	0.622	21%	0.205	S	C	*	.	H	α-helix	trans	-58.1	-40.1	-179.6	171	0	0	0	0	113.9	H158 G164	H158-S160 PolarHBondContact O-N 3.36Å; S160-G164 PolarHBondContact O-N 3.07Å
161	R	95.4	Very high	95.3	Very high	114 Å²	114	43.8 Å²	43.8	43%	0.43	22%	0.222	S	C	.	.	H	α-helix	trans	-73.6	-40.2	178.1	172.4	172.5	175.1	-164.6	8	111.3	N157 H158 I159 Q163 G164 M165	N157-R161 WeakPolarHBondContact OD1-CB 3.28Å; N157-R161 WeakPolarHBondContact OD1-CD 3.26Å; N157-R161 VanDerWaalsContact OD1-CG 3.24Å; N157-R161 WeakPolarHBondContact OD1-CG 3.22Å; H158-R161 WeakPolarHBondContact CE1-CB 3.43Å; H158-R161 PolarHBondContact CE1-N 3.46Å; H158-R161 PolarHBondContact ND1-N 3.41Å; H158-R161 PolarHBondContact O-N 3.42Å; I159-R161 VanDerWaalsContact C-N 3.35Å; I159-R161 PolarHBondContact O-N 3.11Å; R161-Q163 VanDerWaalsContact C-N 3.28Å; R161-Q163 PolarHBondContact O-N 3.11Å; R161-G164 PolarHBondContact O-N 2.88Å; R161-M165 HydrophobicContact CG-CG 4.44Å; R161-M165 HydrophobicContact CG-SD 4.16Å; R161-M165 VanDerWaalsContact O-CG 3.31Å; R161-M165 WeakPolarHBondContact O-CG 3.49Å; R161-M165 PolarHBondContact O-N 2.8Å
162	I	96.4	Very high	95.3	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.041	23%	0.228	C	C	.	.	H	α-helix	trans	-59.1	-46.1	175.8	-60.7	155.7	0	0	0	109.7	F36 C153 T154 N157 H158 I159 G164 M165 V166	F36-I162 HydrophobicContact CD1-CB 4.06Å; F36-I162 HydrophobicContact CD1-CG2 3.64Å; F36-I162 HydrophobicContact CD2-CG2 3.86Å; F36-I162 HydrophobicContact CE1-CB 3.95Å; F36-I162 HydrophobicContact CE1-CD1 4.24Å; F36-I162 HydrophobicContact CE1-CG2 3.58Å; F36-I162 HydrophobicContact CE2-CG2 3.8Å; F36-I162 HydrophobicContact CG-CG2 3.78Å; F36-I162 HydrophobicContact CZ-CB 4.42Å; F36-I162 HydrophobicContact CZ-CD1 4.4Å; F36-I162 HydrophobicContact CZ-CG2 3.67Å; C153-I162 HydrophobicContact CB-CG2 4.32Å; T154-I162 HydrophobicContact CG2-CD1 3.87Å; T154-I162 HydrophobicContact CG2-CG1 4.41Å; T154-I162 HydrophobicContact CG2-CG2 4Å; N157-I162 HydrophobicContact CB-CD1 4.03Å; N157-I162 HydrophobicContact CB-CG1 3.76Å; N157-I162 WeakPolarHBondContact ND2-CG1 3.08Å; H158-I162 WeakPolarHBondContact O-CG1 3.44Å; H158-I162 PolarHBondContact O-N 3.39Å; I159-I162 PolarHBondContact O-N 2.93Å; I162-G164 VanDerWaalsContact C-N 3.33Å; I162-G164 PolarHBondContact O-N 3.29Å; I162-M165 WeakPolarHBondContact O-CA 3.31Å; I162-M165 WeakPolarHBondContact O-CB 3.49Å; I162-M165 PolarHBondContact O-N 3.45Å; I162-V166 HydrophobicContact CG2-CG2 4.27Å; I162-V166 WeakPolarHBondContact O-CG2 3.19Å; I162-V166 PolarHBondContact O-N 3.26Å
163	Q	96.3	Very high	95.3	Very high	51 Å²	51	45.8 Å²	45.8	24%	0.238	24%	0.236	C	C	.	.	H	α-helix	trans	-57	-42.7	177.4	176.8	168.8	-27.6	0	0	113.1	F36 R39 I159 R161 E167	F36-Q163 HydrophobicContact CB-CB 4.48Å; F36-Q163 HydrophobicContact CD1-CB 4.42Å; R39-Q163 VanDerWaalsContact CZ-CD 3.44Å; R39-Q163 PolarHBondContact NH2-O 2.95Å; I159-Q163 WeakPolarHBondContact O-CB 3.11Å; I159-Q163 PolarHBondContact O-N 3.44Å; R161-Q163 VanDerWaalsContact C-N 3.28Å; R161-Q163 PolarHBondContact O-N 3.11Å; Q163-E167 WeakPolarHBondContact O-CB 3.5Å; Q163-E167 PolarHBondContact O-N 3.32Å; Q163-E167 VanDerWaalsContact O-N 3.17Å
164	G	97	Very high	95.3	Very high	17 Å²	17	46.4 Å²	46.4	18%	0.175	24%	0.241	C	C	.	.	H	α-helix	trans	-71.1	-32.8	172.4	0	0	0	0	0	114.1	S160 R161 I162 R168	S160-G164 PolarHBondContact O-N 3.07Å; R161-G164 PolarHBondContact O-N 2.88Å; I162-G164 VanDerWaalsContact C-N 3.33Å; I162-G164 PolarHBondContact O-N 3.29Å; G164-R168 WeakPolarHBondContact O-CG 3.37Å; G164-R168 PolarHBondContact O-N 3.49Å; G164-R168 VanDerWaalsContact O-N 3.11Å; G164-R168 PolarHBondContact O-NH1 3Å; G164-R168 VanDerWaalsContact O-NH1 3.17Å
165	M	97.8	Very high	95.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.2	-50.5	174.4	-72.2	176.1	64	0	0	111	C153 N157 R161 I162 E167 R168 L169 F208	C153-M165 HydrophobicContact CB-CE 4.15Å; N157-M165 PolarHBondContact ND2-SD 2.95Å; R161-M165 HydrophobicContact CG-CG 4.44Å; R161-M165 HydrophobicContact CG-SD 4.16Å; R161-M165 VanDerWaalsContact O-CG 3.31Å; R161-M165 WeakPolarHBondContact O-CG 3.49Å; R161-M165 PolarHBondContact O-N 2.8Å; I162-M165 WeakPolarHBondContact O-CA 3.31Å; I162-M165 WeakPolarHBondContact O-CB 3.49Å; I162-M165 PolarHBondContact O-N 3.45Å; M165-E167 VanDerWaalsContact C-N 3.27Å; M165-E167 PolarHBondContact O-N 3.19Å; M165-R168 PolarHBondContact O-N 2.7Å; M165-L169 PolarHBondContact O-N 3.39Å; M165-F208 HydrophobicContact CB-CE1 4.11Å; M165-F208 HydrophobicContact CB-CZ 4.09Å; M165-F208 HydrophobicContact CE-CB 4.07Å; M165-F208 HydrophobicContact CE-CD1 3.38Å; M165-F208 HydrophobicContact CE-CD2 4.49Å; M165-F208 HydrophobicContact CE-CE1 3.88Å; M165-F208 HydrophobicContact CE-CG 3.74Å; M165-F208 WeakPolarHBondContact O-CZ 3.48Å
166	V	98.3	Very high	95.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-38.2	178.7	173.6	0	0	0	0	111.2	F36 R37 I162 L169 C170 F188	F36-V166 HydrophobicContact CB-CB 4.19Å; F36-V166 HydrophobicContact CB-CG1 4.37Å; F36-V166 HydrophobicContact CB-CG2 4.09Å; F36-V166 HydrophobicContact CD2-CG2 4.35Å; F36-V166 HydrophobicContact CG-CG2 4.43Å; R37-V166 HydrophobicContact CG-CG1 4.34Å; I162-V166 HydrophobicContact CG2-CG2 4.27Å; I162-V166 WeakPolarHBondContact O-CG2 3.19Å; I162-V166 PolarHBondContact O-N 3.26Å; V166-L169 WeakPolarHBondContact O-CB 3.5Å; V166-L169 PolarHBondContact O-N 3.3Å; V166-C170 PolarHBondContact O-N 3.26Å; V166-C170 VanDerWaalsContact O-N 3.07Å; V166-C170 PolarHBondContact O-SG 2.81Å; V166-F188 HydrophobicContact CG1-CE2 4.28Å
167	E	97.3	Very high	96.2	Very high	64 Å²	64	46.3 Å²	46.3	30%	0.299	25%	0.249	S	C	.	.	H	α-helix	trans	-61.6	-48.7	174.5	-174.6	174.3	173.1	0	0	112.3	R39 Q163 M165 L169 C170 Q171	R39-E167 IonicContact CZ-OE2 3.38Å; R39-E167 IonicContact NE-OE2 2.77Å; R39-E167 IonicContact NH2-OE2 3.91Å; R39-E167 PolarHBondContact NH2-OE2 3.39Å; Q163-E167 WeakPolarHBondContact O-CB 3.5Å; Q163-E167 PolarHBondContact O-N 3.32Å; Q163-E167 VanDerWaalsContact O-N 3.17Å; M165-E167 VanDerWaalsContact C-N 3.27Å; M165-E167 PolarHBondContact O-N 3.19Å; E167-L169 VanDerWaalsContact C-N 3.3Å; E167-L169 PolarHBondContact O-N 3.13Å; E167-C170 PolarHBondContact O-N 3.42Å; E167-Q171 WeakPolarHBondContact O-CG 3.22Å; E167-Q171 PolarHBondContact O-N 3.11Å; E167-Q171 PolarHBondContact OE1-NE2 2.8Å
168	R	98.2	Very high	96.3	Very high	89 Å²	89	46.2 Å²	46.2	34%	0.336	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-35.2	175.5	-73.2	-168.6	-62.4	-76.9	1.5	112.8	G164 M165 Q171 A172 L206	G164-R168 WeakPolarHBondContact O-CG 3.37Å; G164-R168 PolarHBondContact O-N 3.49Å; G164-R168 VanDerWaalsContact O-N 3.11Å; G164-R168 PolarHBondContact O-NH1 3Å; G164-R168 VanDerWaalsContact O-NH1 3.17Å; M165-R168 PolarHBondContact O-N 2.7Å; R168-Q171 PolarHBondContact O-N 3.27Å; R168-A172 VanDerWaalsContact O-CB 3.22Å; R168-A172 WeakPolarHBondContact O-CB 3.38Å; R168-A172 PolarHBondContact O-N 3.11Å; R168-L206 PolarHBondContact NE-O 3.4Å
169	L	98.4	Very high	96.5	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.7	-50	175.1	-175.2	60.7	0	0	0	110.6	M165 V166 E167 A172 L173 F188 P189 L194 L203 F208	M165-L169 PolarHBondContact O-N 3.39Å; V166-L169 WeakPolarHBondContact O-CB 3.5Å; V166-L169 PolarHBondContact O-N 3.3Å; E167-L169 VanDerWaalsContact C-N 3.3Å; E167-L169 PolarHBondContact O-N 3.13Å; L169-A172 PolarHBondContact O-N 3Å; L169-L173 HydrophobicContact CD1-CD1 3.83Å; L169-L173 PolarHBondContact O-N 3.1Å; L169-F188 HydrophobicContact CD2-CE2 4.18Å; L169-F188 HydrophobicContact CD2-CZ 3.82Å; L169-P189 HydrophobicContact CG-CG 4.09Å; L169-L194 HydrophobicContact CD1-CD2 3.97Å; L169-L203 HydrophobicContact CD1-CD1 4.1Å; L169-L203 HydrophobicContact CD1-CD2 3.61Å; L169-F208 HydrophobicContact CB-CE1 4.29Å; L169-F208 HydrophobicContact CB-CZ 3.83Å; L169-F208 HydrophobicContact CD1-CE1 4.41Å; L169-F208 HydrophobicContact CD1-CZ 4.34Å
170	C	98.5	Very high	96.6	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.007	23%	0.233	C	C	.	.	H	α-helix	trans	-68.7	-40.2	-179.1	-58.2	0	0	0	0	111.7	R37 V166 E167 A172 G174 H186 D187	R37-C170 PolarHBondContact NH1-SG 3.01Å; V166-C170 PolarHBondContact O-N 3.26Å; V166-C170 VanDerWaalsContact O-N 3.07Å; V166-C170 PolarHBondContact O-SG 2.81Å; E167-C170 PolarHBondContact O-N 3.42Å; C170-A172 VanDerWaalsContact C-N 3.28Å; C170-A172 PolarHBondContact O-N 3.28Å; C170-G174 WeakPolarHBondContact O-CA 3.15Å; C170-G174 PolarHBondContact O-N 3.42Å; C170-H186 HydrophobicContact CB-CB 4.23Å; C170-H186 VanDerWaalsContact O-CB 3.28Å; C170-H186 WeakPolarHBondContact O-CB 3.49Å; C170-D187 WeakPolarHBondContact CB-O 3.23Å
171	Q	97.4	Very high	96.6	Very high	80 Å²	80	41.3 Å²	41.3	37%	0.374	22%	0.219	S	C	.	.	H	α-helix	trans	-63.3	-34.8	175.1	-73.2	172	-7	0	0	112.6	E167 R168	E167-Q171 WeakPolarHBondContact O-CG 3.22Å; E167-Q171 PolarHBondContact O-N 3.11Å; E167-Q171 PolarHBondContact OE1-NE2 2.8Å; R168-Q171 PolarHBondContact O-N 3.27Å
172	A	97.8	Very high	96.4	Very high	18 Å²	18	44.8 Å²	44.8	15%	0.149	24%	0.24	C	C	.	.	H	α-helix	trans	-78.8	-42.6	-178.1	0	0	0	0	0	112.8	R168 L169 C170 R202 L206	R168-A172 VanDerWaalsContact O-CB 3.22Å; R168-A172 WeakPolarHBondContact O-CB 3.38Å; R168-A172 PolarHBondContact O-N 3.11Å; L169-A172 PolarHBondContact O-N 3Å; C170-A172 VanDerWaalsContact C-N 3.28Å; C170-A172 PolarHBondContact O-N 3.28Å; A172-R202 VanDerWaalsContact CA-NH2 3.33Å; A172-R202 PolarHBondContact O-NH1 3.14Å; A172-R202 PolarHBondContact O-NH2 3.16Å; A172-L206 HydrophobicContact CB-CD1 3.64Å
173	L	97.9	Very high	96.3	Very high	29 Å²	29	46.5 Å²	46.5	15%	0.152	25%	0.251	C	S	.	.	H	α-helix	trans	-122.7	-9.6	-166.2	-57.7	175.1	0	0	0	114	L169 P189 L194 V199 R202 L203	L169-L173 HydrophobicContact CD1-CD1 3.83Å; L169-L173 PolarHBondContact O-N 3.1Å; L173-P189 HydrophobicContact CB-CB 3.71Å; L173-P189 HydrophobicContact CB-CG 3.57Å; L173-L194 HydrophobicContact CD1-CD2 3.99Å; L173-V199 HydrophobicContact CD1-CG1 3.76Å; L173-V199 HydrophobicContact CD1-CG2 4.31Å; L173-V199 HydrophobicContact CD2-CG2 4.19Å; L173-R202 VanDerWaalsContact CD2-NH1 3.3Å; L173-L203 HydrophobicContact CD1-CD2 4.34Å
174	G	97.6	Very high	96.3	Very high	12 Å²	12	46.4 Å²	46.4	12%	0.124	26%	0.256	C	S	.	.	S	Bend	trans	-90.8	155	-178.9	0	0	0	0	0	112.4	C170 D187	C170-G174 WeakPolarHBondContact O-CA 3.15Å; C170-G174 PolarHBondContact O-N 3.42Å; G174-D187 WeakPolarHBondContact CA-O 3.31Å
175	S	96.6	Very high	96.3	Very high	75 Å²	75	46.5 Å²	46.5	52%	0.524	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-70.8	135.4	175.9	-59.6	0	0	0	0	110.8	L177 H186 D187	S175-L177 PolarHBondContact O-N 3.34Å; S175-H186 CarbonylContact O-C 3.42Å; S175-H186 VanDerWaalsContact O-CA 3.22Å; S175-H186 WeakPolarHBondContact O-CA 3.44Å; S175-D187 PolarHBondContact O-N 3.49Å
176	P	96.8	Very high	96.3	Very high	99 Å²	99	48.1 Å²	48.1	64%	0.643	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	135.5	176.7	27.6	-34	0	0	0	110.7
177	L	95.6	Very high	96.3	Very high	22 Å²	22	50.3 Å²	50.3	12%	0.115	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-59.7	179.8	-63.4	179.2	0	0	0	111.5	V49 G52 V54 N71 S175 Y185 D187	V49-L177 HydrophobicContact CG1-CD1 3.57Å; V49-L177 HydrophobicContact CG2-CD1 4.2Å; G52-L177 VanDerWaalsContact O-CD2 3.27Å; G52-L177 WeakPolarHBondContact O-CD2 3.4Å; V54-L177 HydrophobicContact CG2-CB 3.91Å; V54-L177 HydrophobicContact CG2-CD1 3.95Å; N71-L177 PolarHBondContact OD1-O 2.93Å; N71-L177 VanDerWaalsContact OD1-O 3.08Å; S175-L177 PolarHBondContact O-N 3.34Å; L177-Y185 PolarHBondContact N-O 3.26Å; L177-D187 HydrophobicContact CD1-CB 4.12Å; L177-D187 HydrophobicContact CD2-CB 4.14Å; L177-D187 HydrophobicContact CG-CB 4.19Å
178	C	94.4	Very high	96.3	Very high	35 Å²	35	48.1 Å²	48.1	24%	0.236	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	169.2	175.2	68.6	0	0	0	0	111.4	V54 Y185	V54-C178 VanDerWaalsContact CG2-SG 3.56Å; C178-Y185 PolarHBondContact N-O 3.08Å; C178-Y185 PolarHBondContact O-N 3.29Å
179	Q	95.1	Very high	96.3	Very high	92 Å²	92	44 Å²	44	43%	0.43	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.9	170	-174.6	177.8	-17.5	0	0	110	D181 T183	Q179-D181 PolarHBondContact NE2-O 3.47Å; Q179-T183 WeakPolarHBondContact CA-O 3.28Å
180	L	93.3	Very high	96.3	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	120.9	176.6	-52.1	-179.5	0	0	0	108.9	A2 H4 T47 V54 Y69 Q182 T183 Y185	A2-L180 HydrophobicContact CB-CD2 3.63Å; A2-L180 CarbonylContact O-C 3.54Å; A2-L180 WeakPolarHBondContact O-CA 3.37Å; H4-L180 PolarHBondContact CE1-O 2.93Å; T47-L180 HydrophobicContact CG2-CD1 4.09Å; V54-L180 HydrophobicContact CG1-CD1 3.97Å; Y69-L180 HydrophobicContact CD1-CD1 3.94Å; Y69-L180 HydrophobicContact CD1-CD2 3.37Å; Y69-L180 HydrophobicContact CD1-CG 4.3Å; Y69-L180 HydrophobicContact CD2-CD1 4.01Å; Y69-L180 HydrophobicContact CE1-CD1 3.54Å; Y69-L180 HydrophobicContact CE1-CD2 3.42Å; Y69-L180 VanDerWaalsContact CE1-CD2 3.42Å; Y69-L180 HydrophobicContact CE1-CG 4.12Å; Y69-L180 HydrophobicContact CE2-CD1 3.64Å; Y69-L180 HydrophobicContact CG-CD1 4.17Å; Y69-L180 HydrophobicContact CG-CD2 4.12Å; L180-Q182 PolarHBondContact O-N 3.18Å; L180-Q182 VanDerWaalsContact O-N 3.11Å; L180-T183 PolarHBondContact N-O 3.45Å; L180-T183 PolarHBondContact O-N 3.33Å; L180-Y185 HydrophobicContact CB-CD2 4.39Å; L180-Y185 HydrophobicContact CB-CE2 3.96Å; L180-Y185 HydrophobicContact CD1-CD2 4.13Å; L180-Y185 HydrophobicContact CD1-CE2 3.75Å; L180-Y185 HydrophobicContact CG-CD2 4.05Å; L180-Y185 HydrophobicContact CG-CE2 3.93Å
181	D	92.1	Very high	96.2	Very high	61 Å²	61	48.7 Å²	48.7	33%	0.326	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	-115.3	-170.3	-57.4	-60.6	0	0	0	110.8	A2 K3 H4 Q179	A2-D181 PolarHBondContact O-N 3.09Å; K3-D181 WeakPolarHBondContact CG-OD1 3.33Å; H4-D181 IonicContact CE1-OD2 2.73Å; H4-D181 IonicContact CG-OD2 3.64Å; H4-D181 PolarHBondContact N-OD2 3.47Å; H4-D181 IonicContact ND1-OD2 3.69Å; H4-D181 PolarHBondContact ND1-OD2 3.15Å; Q179-D181 PolarHBondContact NE2-O 3.47Å
182	Q	92.4	Very high	96.3	Very high	186 Å²	186	48.8 Å²	48.8	87%	0.869	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	6.7	176.8	-64.1	-177.9	-11.8	0	0	113.4	L180	L180-Q182 PolarHBondContact O-N 3.18Å; L180-Q182 VanDerWaalsContact O-N 3.11Å
183	T	94.2	Very high	96.3	Very high	44 Å²	44	49.4 Å²	49.4	27%	0.27	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	120.7	-174.2	-53.4	0	0	0	0	111	Q179 L180 Y185	Q179-T183 WeakPolarHBondContact CA-O 3.28Å; L180-T183 PolarHBondContact N-O 3.45Å; L180-T183 PolarHBondContact O-N 3.33Å; T183-Y185 HydrophobicContact CG2-CD2 4.19Å; T183-Y185 HydrophobicContact CG2-CE2 3.62Å
184	S	95.5	Very high	96.3	Very high	49 Å²	49	48 Å²	48	34%	0.343	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	118.7	175.1	-59.3	0	0	0	0	111.1	H186	S184-H186 PolarHBondContact O-ND1 3.45Å
185	Y	97.1	Very high	96.3	Very high	19 Å²	19	48.3 Å²	48.3	8%	0.075	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131.1	177.3	-69.3	-94.1	0	0	0	110	H4 T47 V49 V54 L177 C178 L180 T183	H4-Y185 AromaticContact NE2-CE2 3.57Å; H4-Y185 AromaticContact NE2-CZ 3.57Å; H4-Y185 PolarHBondContact NE2-OH 3.39Å; T47-Y185 HydrophobicContact CG2-CE1 3.93Å; T47-Y185 HydrophobicContact CG2-CE2 4.43Å; T47-Y185 WeakPolarHBondContact CG2-OH 3.32Å; V49-Y185 HydrophobicContact CG2-CD1 4Å; V54-Y185 HydrophobicContact CG1-CD1 3.99Å; V54-Y185 HydrophobicContact CG1-CD2 4.35Å; V54-Y185 HydrophobicContact CG1-CE1 4.28Å; V54-Y185 HydrophobicContact CG1-CG 4.02Å; V54-Y185 HydrophobicContact CG2-CD1 4.37Å; V54-Y185 HydrophobicContact CG2-CG 4.04Å; L177-Y185 PolarHBondContact N-O 3.26Å; C178-Y185 PolarHBondContact N-O 3.08Å; C178-Y185 PolarHBondContact O-N 3.29Å; L180-Y185 HydrophobicContact CB-CD2 4.39Å; L180-Y185 HydrophobicContact CB-CE2 3.96Å; L180-Y185 HydrophobicContact CD1-CD2 4.13Å; L180-Y185 HydrophobicContact CD1-CE2 3.75Å; L180-Y185 HydrophobicContact CG-CD2 4.05Å; L180-Y185 HydrophobicContact CG-CE2 3.93Å; T183-Y185 HydrophobicContact CG2-CD2 4.19Å; T183-Y185 HydrophobicContact CG2-CE2 3.62Å
186	H	98.1	Very high	96.4	Very high	35 Å²	35	49.1 Å²	49.1	16%	0.162	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	151.4	176.6	-61.8	70.6	0	0	0	108.2	R37 C170 S175 S184	R37-H186 PolarHBondContact NH2-O 3.42Å; C170-H186 HydrophobicContact CB-CB 4.23Å; C170-H186 VanDerWaalsContact O-CB 3.28Å; C170-H186 WeakPolarHBondContact O-CB 3.49Å; S175-H186 CarbonylContact O-C 3.42Å; S175-H186 VanDerWaalsContact O-CA 3.22Å; S175-H186 WeakPolarHBondContact O-CA 3.44Å; S184-H186 PolarHBondContact O-ND1 3.45Å
187	D	97.8	Very high	96.3	Very high	46 Å²	46	49.6 Å²	49.6	25%	0.246	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-68.9	168.2	171.7	-153.3	1.1	0	0	0	111.2	G52 C170 G174 S175 L177	G52-D187 VanDerWaalsContact CA-OD2 3.27Å; G52-D187 WeakPolarHBondContact CA-OD2 3.45Å; C170-D187 WeakPolarHBondContact CB-O 3.23Å; G174-D187 WeakPolarHBondContact CA-O 3.31Å; S175-D187 PolarHBondContact O-N 3.49Å; L177-D187 HydrophobicContact CD1-CB 4.12Å; L177-D187 HydrophobicContact CD2-CB 4.14Å; L177-D187 HydrophobicContact CG-CB 4.19Å
188	F	98.3	Very high	96.4	Very high	17 Å²	17	50.2 Å²	50.2	8%	0.075	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-69.7	141.4	171.3	-158.2	-93.4	0	0	0	110.3	T145 E146 F149 V166 L169 L194	T145-F188 HydrophobicContact CG2-CD1 4.38Å; T145-F188 HydrophobicContact CG2-CE1 4.33Å; E146-F188 HydrophobicContact CB-CB 4.2Å; E146-F188 HydrophobicContact CB-CD1 4.02Å; E146-F188 HydrophobicContact CB-CD2 3.87Å; E146-F188 HydrophobicContact CB-CE1 4.43Å; E146-F188 HydrophobicContact CB-CE2 4.26Å; E146-F188 HydrophobicContact CB-CG 3.74Å; E146-F188 HydrophobicContact CG-CB 4.41Å; E146-F188 HydrophobicContact CG-CD2 3.5Å; E146-F188 HydrophobicContact CG-CE2 3.85Å; E146-F188 HydrophobicContact CG-CG 3.9Å; F149-F188 HydrophobicContact CB-CE1 3.95Å; F149-F188 HydrophobicContact CB-CZ 3.72Å; F149-F188 HydrophobicContact CD2-CE1 4.46Å; V166-F188 HydrophobicContact CG1-CE2 4.28Å; L169-F188 HydrophobicContact CD2-CE2 4.18Å; L169-F188 HydrophobicContact CD2-CZ 3.82Å; F188-L194 HydrophobicContact CE1-CD1 4.32Å
189	P	98	Very high	96.6	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.019	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-61.4	142.2	178.8	-24.7	35.8	0	0	0	112.7	L169 L173 A193 L194	L169-P189 HydrophobicContact CG-CG 4.09Å; L173-P189 HydrophobicContact CB-CB 3.71Å; L173-P189 HydrophobicContact CB-CG 3.57Å; P189-A193 HydrophobicContact CB-CB 4.37Å; P189-L194 HydrophobicContact CB-CD1 4.38Å; P189-L194 HydrophobicContact CB-CD2 4.07Å; P189-L194 HydrophobicContact CB-CG 3.9Å; P189-L194 HydrophobicContact CG-CD2 4.47Å
190	T	97.7	Very high	96.7	Very high	86 Å²	86	46.5 Å²	46.5	53%	0.528	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-69.4	160	172.9	67.1	0	0	0	0	111.2	S192 A193 L194	T190-S192 PolarHBondContact O-N 3.29Å; T190-A193 PolarHBondContact O-N 3.43Å; T190-A193 VanDerWaalsContact O-N 3.1Å; T190-A193 WeakPolarHBondContact OG1-CB 3.45Å; T190-A193 PolarHBondContact OG1-N 3.18Å; T190-A193 VanDerWaalsContact OG1-N 3.16Å; T190-L194 WeakPolarHBondContact O-CG 3.46Å; T190-L194 PolarHBondContact O-N 3.27Å
191	L	97.8	Very high	96.9	Very high	14 Å²	14	53.1 Å²	53.1	7%	0.073	31%	0.307	C	S	.	.	H	α-helix	trans	-54	-41.7	173.2	-75.9	172.8	0	0	0	112	T145 F149 L194 A195 A219 I222 L223 L231	T145-L191 HydrophobicContact CG2-CD2 4Å; T145-L191 HydrophobicContact CG2-CG 4.08Å; F149-L191 HydrophobicContact CE2-CD2 3.5Å; F149-L191 HydrophobicContact CZ-CD2 3.83Å; L191-L194 PolarHBondContact O-N 3.27Å; L191-A195 VanDerWaalsContact O-CB 3.31Å; L191-A195 WeakPolarHBondContact O-CB 3.25Å; L191-A195 PolarHBondContact O-N 3Å; L191-A219 HydrophobicContact CD2-CB 4.46Å; L191-I222 HydrophobicContact CD1-CG2 3.84Å; L191-I222 HydrophobicContact CD2-CD1 4.2Å; L191-I222 HydrophobicContact CD2-CG2 4.31Å; L191-L223 HydrophobicContact CB-CD1 4.33Å; L191-L223 HydrophobicContact CB-CD2 3.97Å; L191-L223 HydrophobicContact CB-CG 4.18Å; L191-L223 HydrophobicContact CD1-CD2 4.37Å; L191-L231 HydrophobicContact CD2-CD1 4.42Å
192	S	97.8	Very high	97.2	Very high	82 Å²	82	55.8 Å²	55.8	57%	0.573	31%	0.313	S	S	*	.	H	α-helix	trans	-63.9	-41.7	177.6	-55.5	0	0	0	0	112.1	T190 L194 A195 D196	T190-S192 PolarHBondContact O-N 3.29Å; S192-L194 VanDerWaalsContact C-N 3.29Å; S192-L194 PolarHBondContact O-N 2.94Å; S192-A195 PolarHBondContact O-N 3.4Å; S192-D196 PolarHBondContact O-N 2.99Å
193	A	98.1	Very high	97.5	Very high	30 Å²	30	47 Å²	47	25%	0.248	27%	0.272	C	S	.	.	H	α-helix	trans	-65.8	-31.6	176.3	0	0	0	0	0	112.5	P189 T190 V199	P189-A193 HydrophobicContact CB-CB 4.37Å; T190-A193 PolarHBondContact O-N 3.43Å; T190-A193 VanDerWaalsContact O-N 3.1Å; T190-A193 WeakPolarHBondContact OG1-CB 3.45Å; T190-A193 PolarHBondContact OG1-N 3.18Å; T190-A193 VanDerWaalsContact OG1-N 3.16Å; A193-V199 WeakPolarHBondContact O-CG2 3.45Å
194	L	98.3	Very high	97.7	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-78.1	-31.2	176.2	-70.7	165.3	0	0	0	113.1	F149 L169 L173 F188 P189 T190 L191 S192 D196 V199 Q216 A219	F149-L194 HydrophobicContact CB-CD1 4.44Å; F149-L194 HydrophobicContact CD1-CD1 3.99Å; F149-L194 HydrophobicContact CD2-CD1 3.6Å; F149-L194 HydrophobicContact CE1-CD1 4.17Å; F149-L194 HydrophobicContact CE2-CD1 3.84Å; F149-L194 HydrophobicContact CG-CD1 3.73Å; F149-L194 HydrophobicContact CZ-CD1 4.12Å; L169-L194 HydrophobicContact CD1-CD2 3.97Å; L173-L194 HydrophobicContact CD1-CD2 3.99Å; F188-L194 HydrophobicContact CE1-CD1 4.32Å; P189-L194 HydrophobicContact CB-CD1 4.38Å; P189-L194 HydrophobicContact CB-CD2 4.07Å; P189-L194 HydrophobicContact CB-CG 3.9Å; P189-L194 HydrophobicContact CG-CD2 4.47Å; T190-L194 WeakPolarHBondContact O-CG 3.46Å; T190-L194 PolarHBondContact O-N 3.27Å; L191-L194 PolarHBondContact O-N 3.27Å; S192-L194 VanDerWaalsContact C-N 3.29Å; S192-L194 PolarHBondContact O-N 2.94Å; L194-D196 VanDerWaalsContact C-N 3.35Å; L194-V199 WeakPolarHBondContact O-CG1 3.5Å; L194-Q216 WeakPolarHBondContact O-CA 3.44Å; L194-A219 HydrophobicContact CB-CB 3.44Å; L194-A219 VanDerWaalsContact CB-CB 3.44Å
195	A	98.2	Very high	97.8	Very high	18 Å²	18	54 Å²	54	15%	0.149	30%	0.296	C	S	.	.	H	α-helix	trans	-81.5	-11.5	-175.6	0	0	0	0	0	114.1	L191 S192 Q216 A219 K220 L223	L191-A195 VanDerWaalsContact O-CB 3.31Å; L191-A195 WeakPolarHBondContact O-CB 3.25Å; L191-A195 PolarHBondContact O-N 3Å; S192-A195 PolarHBondContact O-N 3.4Å; A195-Q216 PolarHBondContact O-NE2 3.29Å; A195-A219 HydrophobicContact CB-CB 4Å; A195-K220 HydrophobicContact CB-CB 4.21Å; A195-L223 HydrophobicContact CB-CD1 3.63Å
196	D	97.9	Very high	97.8	Very high	92 Å²	92	55.7 Å²	55.7	49%	0.492	31%	0.306	S	S	.	.	S	Bend	trans	-56.7	144	-179.1	-176.6	-79.4	0	0	0	112.2	S192 L194 G198 V199 Q216	S192-D196 PolarHBondContact O-N 2.99Å; L194-D196 VanDerWaalsContact C-N 3.35Å; D196-G198 VanDerWaalsContact C-N 3.27Å; D196-G198 PolarHBondContact O-N 3.35Å; D196-G198 PolarHBondContact OD1-N 3.32Å; D196-V199 HydrophobicContact CB-CG2 3.77Å; D196-V199 WeakPolarHBondContact O-CB 3.35Å; D196-V199 WeakPolarHBondContact O-CG2 3.49Å; D196-V199 PolarHBondContact O-N 3.26Å; D196-V199 VanDerWaalsContact O-N 3.17Å; D196-Q216 WeakPolarHBondContact O-CG 3.45Å
197	S	95.4	Very high	97.8	Very high	110 Å²	110	55.8 Å²	55.8	77%	0.769	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.2	-173.3	46.4	0	0	0	0	114.4	V199	S197-V199 VanDerWaalsContact C-N 3.34Å
198	G	96.6	Very high	97.7	Very high	34 Å²	34	53.6 Å²	53.6	35%	0.351	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-7.4	-179.7	0	0	0	0	0	114.3	D196 E200 R202	D196-G198 VanDerWaalsContact C-N 3.27Å; D196-G198 PolarHBondContact O-N 3.35Å; D196-G198 PolarHBondContact OD1-N 3.32Å; G198-E200 PolarHBondContact O-N 3.32Å; G198-R202 WeakPolarHBondContact O-CB 3.43Å; G198-R202 PolarHBondContact O-N 3.08Å
199	V	98.2	Very high	97.7	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.03	32%	0.318	C	S	.	.	H	α-helix	trans	-68.5	-38.9	-170.4	171.1	0	0	0	0	112.2	L173 A193 L194 D196 S197 E201 R202 L203 Q216	L173-V199 HydrophobicContact CD1-CG1 3.76Å; L173-V199 HydrophobicContact CD1-CG2 4.31Å; L173-V199 HydrophobicContact CD2-CG2 4.19Å; A193-V199 WeakPolarHBondContact O-CG2 3.45Å; L194-V199 WeakPolarHBondContact O-CG1 3.5Å; D196-V199 HydrophobicContact CB-CG2 3.77Å; D196-V199 WeakPolarHBondContact O-CB 3.35Å; D196-V199 WeakPolarHBondContact O-CG2 3.49Å; D196-V199 PolarHBondContact O-N 3.26Å; D196-V199 VanDerWaalsContact O-N 3.17Å; S197-V199 VanDerWaalsContact C-N 3.34Å; V199-E201 PolarHBondContact O-N 2.84Å; V199-R202 PolarHBondContact O-N 3.3Å; V199-L203 HydrophobicContact CG1-CD1 3.59Å; V199-L203 HydrophobicContact CG1-CG 3.95Å; V199-L203 WeakPolarHBondContact O-CB 3.23Å; V199-L203 VanDerWaalsContact O-CG 3.22Å; V199-L203 WeakPolarHBondContact O-CG 3.37Å; V199-L203 PolarHBondContact O-N 3.3Å; V199-Q216 HydrophobicContact CB-CB 4.39Å; V199-Q216 HydrophobicContact CB-CG 3.97Å; V199-Q216 HydrophobicContact CG1-CB 4.25Å; V199-Q216 HydrophobicContact CG1-CG 4.35Å
200	E	98.3	Very high	97.6	Very high	44 Å²	44	59.2 Å²	59.2	21%	0.206	34%	0.337	C	S	.	.	H	α-helix	trans	-59.7	-50.8	-179.8	179	176.2	158.5	0	0	111.2	G198 L203 R204 A212 R213 Q216	G198-E200 PolarHBondContact O-N 3.32Å; E200-L203 PolarHBondContact O-N 2.97Å; E200-R204 WeakPolarHBondContact O-CG 3.5Å; E200-R204 PolarHBondContact O-N 3.09Å; E200-R204 IonicContact OE1-CZ 3.56Å; E200-R204 VanDerWaalsContact OE1-CZ 3.27Å; E200-R204 IonicContact OE1-NE 3.69Å; E200-R204 PolarHBondContact OE1-NE 2.97Å; E200-R204 IonicContact OE1-NH2 3.68Å; E200-R204 PolarHBondContact OE1-NH2 3.18Å; E200-A212 HydrophobicContact CG-CB 4.24Å; E200-A212 WeakPolarHBondContact O-CB 3.11Å; E200-R213 HydrophobicContact CG-CB 4.37Å; E200-Q216 HydrophobicContact CB-CB 4.15Å; E200-Q216 HydrophobicContact CB-CG 4.36Å
201	E	98.3	Very high	97.6	Very high	140 Å²	140	55.5 Å²	55.5	65%	0.654	31%	0.313	S	S	*	.	H	α-helix	trans	-59.8	-50.2	179.6	-176.4	174.6	-160.1	0	0	110.9	V199 L203 R204 D205	V199-E201 PolarHBondContact O-N 2.84Å; E201-L203 VanDerWaalsContact C-N 3.29Å; E201-L203 PolarHBondContact O-N 3.5Å; E201-R204 WeakPolarHBondContact O-CA 3.47Å; E201-R204 WeakPolarHBondContact O-CB 3.49Å; E201-R204 PolarHBondContact O-N 3.42Å; E201-D205 PolarHBondContact O-N 2.8Å; E201-D205 VanDerWaalsContact O-N 3.1Å
202	R	98.1	Very high	97.6	Very high	118 Å²	118	54.9 Å²	54.9	45%	0.445	31%	0.31	S	S	.	.	H	α-helix	trans	-57.4	-39.8	178.2	-172.7	174.9	-178.7	-159.7	-4	112.9	A172 L173 G198 V199 D205 L206	A172-R202 VanDerWaalsContact CA-NH2 3.33Å; A172-R202 PolarHBondContact O-NH1 3.14Å; A172-R202 PolarHBondContact O-NH2 3.16Å; L173-R202 VanDerWaalsContact CD2-NH1 3.3Å; G198-R202 WeakPolarHBondContact O-CB 3.43Å; G198-R202 PolarHBondContact O-N 3.08Å; V199-R202 PolarHBondContact O-N 3.3Å; R202-D205 PolarHBondContact O-N 3.26Å; R202-L206 HydrophobicContact CG-CD1 4.45Å; R202-L206 WeakPolarHBondContact O-CG 3.25Å; R202-L206 PolarHBondContact O-N 3.32Å
203	L	98.3	Very high	97.6	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-73.2	-28.8	177.5	-68.5	-179	0	0	0	112.4	L169 L173 V199 E200 E201 L206 G207 F208 A212 L215	L169-L203 HydrophobicContact CD1-CD1 4.1Å; L169-L203 HydrophobicContact CD1-CD2 3.61Å; L173-L203 HydrophobicContact CD1-CD2 4.34Å; V199-L203 HydrophobicContact CG1-CD1 3.59Å; V199-L203 HydrophobicContact CG1-CG 3.95Å; V199-L203 WeakPolarHBondContact O-CB 3.23Å; V199-L203 VanDerWaalsContact O-CG 3.22Å; V199-L203 WeakPolarHBondContact O-CG 3.37Å; V199-L203 PolarHBondContact O-N 3.3Å; E200-L203 PolarHBondContact O-N 2.97Å; E201-L203 VanDerWaalsContact C-N 3.29Å; E201-L203 PolarHBondContact O-N 3.5Å; L203-L206 HydrophobicContact CD2-CD1 4.3Å; L203-L206 PolarHBondContact O-N 2.51Å; L203-G207 PolarHBondContact O-N 3.3Å; L203-F208 HydrophobicContact CB-CB 4.21Å; L203-F208 HydrophobicContact CB-CD2 4.16Å; L203-F208 HydrophobicContact CB-CG 4.12Å; L203-F208 HydrophobicContact CD2-CD2 4.07Å; L203-F208 HydrophobicContact CD2-CE1 4.42Å; L203-F208 HydrophobicContact CD2-CE2 3.88Å; L203-F208 HydrophobicContact CD2-CG 4.44Å; L203-F208 HydrophobicContact CD2-CZ 4.05Å; L203-F208 VanDerWaalsContact O-CB 3.29Å; L203-F208 WeakPolarHBondContact O-CB 3.33Å; L203-F208 VanDerWaalsContact O-CD2 3.24Å; L203-F208 WeakPolarHBondContact O-CD2 3.47Å; L203-F208 PolarHBondContact O-N 3.34Å; L203-A212 HydrophobicContact CB-CB 3.64Å; L203-L215 HydrophobicContact CD1-CB 4.07Å; L203-L215 HydrophobicContact CD1-CD1 3.74Å
204	R	98.1	Very high	97.6	Very high	108 Å²	108	58 Å²	58	41%	0.408	30%	0.304	S	S	.	.	H	α-helix	trans	-63.2	-44.9	171.6	-71.7	174.3	179.7	-75.1	0.6	110.6	E200 E201 L206 G207 A212	E200-R204 WeakPolarHBondContact O-CG 3.5Å; E200-R204 PolarHBondContact O-N 3.09Å; E200-R204 IonicContact OE1-CZ 3.56Å; E200-R204 VanDerWaalsContact OE1-CZ 3.27Å; E200-R204 IonicContact OE1-NE 3.69Å; E200-R204 PolarHBondContact OE1-NE 2.97Å; E200-R204 IonicContact OE1-NH2 3.68Å; E200-R204 PolarHBondContact OE1-NH2 3.18Å; E201-R204 WeakPolarHBondContact O-CA 3.47Å; E201-R204 WeakPolarHBondContact O-CB 3.49Å; E201-R204 PolarHBondContact O-N 3.42Å; R204-L206 VanDerWaalsContact C-N 3.25Å; R204-L206 PolarHBondContact O-N 3.09Å; R204-G207 PolarHBondContact O-N 3.38Å; R204-A212 HydrophobicContact CG-CB 3.65Å
205	D	98	Very high	97.6	Very high	132 Å²	132	58 Å²	58	71%	0.706	30%	0.304	S	S	*	.	H	α-helix	trans	-61.5	-34.4	176.3	-65.8	-18.1	0	0	0	112.3	E201 R202 G207	E201-D205 PolarHBondContact O-N 2.8Å; E201-D205 VanDerWaalsContact O-N 3.1Å; R202-D205 PolarHBondContact O-N 3.26Å; D205-G207 PolarHBondContact O-N 3.48Å
206	L	97.3	Very high	97.6	Very high	55 Å²	55	57.9 Å²	57.9	29%	0.288	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	6	175.4	-65.6	171.8	0	0	0	114.3	R168 A172 R202 L203 R204 F208	R168-L206 PolarHBondContact NE-O 3.4Å; A172-L206 HydrophobicContact CB-CD1 3.64Å; R202-L206 HydrophobicContact CG-CD1 4.45Å; R202-L206 WeakPolarHBondContact O-CG 3.25Å; R202-L206 PolarHBondContact O-N 3.32Å; L203-L206 HydrophobicContact CD2-CD1 4.3Å; L203-L206 PolarHBondContact O-N 2.51Å; R204-L206 VanDerWaalsContact C-N 3.25Å; R204-L206 PolarHBondContact O-N 3.09Å; L206-F208 HydrophobicContact CB-CD2 3.98Å; L206-F208 HydrophobicContact CB-CE2 3.95Å
207	G	96.5	Very high	97.7	Very high	37 Å²	37	56.3 Å²	56.3	38%	0.381	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	22.8	172	0	0	0	0	0	115.3	L203 R204 D205 G209	L203-G207 PolarHBondContact O-N 3.3Å; R204-G207 PolarHBondContact O-N 3.38Å; D205-G207 PolarHBondContact O-N 3.48Å; G207-G209 VanDerWaalsContact C-N 3.26Å; G207-G209 PolarHBondContact O-N 3.32Å
208	F	97.3	Very high	97.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.254	C	S	.	.			trans	-75.2	-18.1	176.1	-74.1	-114	0	0	0	112.9	M165 L169 L203 L206 R211 A212 L215	M165-F208 HydrophobicContact CB-CE1 4.11Å; M165-F208 HydrophobicContact CB-CZ 4.09Å; M165-F208 HydrophobicContact CE-CB 4.07Å; M165-F208 HydrophobicContact CE-CD1 3.38Å; M165-F208 HydrophobicContact CE-CD2 4.49Å; M165-F208 HydrophobicContact CE-CE1 3.88Å; M165-F208 HydrophobicContact CE-CG 3.74Å; M165-F208 WeakPolarHBondContact O-CZ 3.48Å; L169-F208 HydrophobicContact CB-CE1 4.29Å; L169-F208 HydrophobicContact CB-CZ 3.83Å; L169-F208 HydrophobicContact CD1-CE1 4.41Å; L169-F208 HydrophobicContact CD1-CZ 4.34Å; L203-F208 HydrophobicContact CB-CB 4.21Å; L203-F208 HydrophobicContact CB-CD2 4.16Å; L203-F208 HydrophobicContact CB-CG 4.12Å; L203-F208 HydrophobicContact CD2-CD2 4.07Å; L203-F208 HydrophobicContact CD2-CE1 4.42Å; L203-F208 HydrophobicContact CD2-CE2 3.88Å; L203-F208 HydrophobicContact CD2-CG 4.44Å; L203-F208 HydrophobicContact CD2-CZ 4.05Å; L203-F208 VanDerWaalsContact O-CB 3.29Å; L203-F208 WeakPolarHBondContact O-CB 3.33Å; L203-F208 VanDerWaalsContact O-CD2 3.24Å; L203-F208 WeakPolarHBondContact O-CD2 3.47Å; L203-F208 PolarHBondContact O-N 3.34Å; L206-F208 HydrophobicContact CB-CD2 3.98Å; L206-F208 HydrophobicContact CB-CE2 3.95Å; F208-R211 PolarHBondContact O-N 3.46Å; F208-A212 HydrophobicContact CB-CB 4.09Å; F208-L215 HydrophobicContact CD1-CD1 3.45Å; F208-L215 VanDerWaalsContact CD1-CD1 3.45Å; F208-L215 HydrophobicContact CE1-CD1 3.7Å
209	G	96.7	Very high	97.9	Very high	35 Å²	35	49.5 Å²	49.5	36%	0.361	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	-136.9	-179.4	0	0	0	0	0	111.5	G207 R211 A212	G207-G209 VanDerWaalsContact C-N 3.26Å; G207-G209 PolarHBondContact O-N 3.32Å; G209-R211 PolarHBondContact O-N 3.24Å; G209-R211 VanDerWaalsContact O-N 3.12Å; G209-A212 WeakPolarHBondContact O-CB 3.24Å; G209-A212 PolarHBondContact O-N 3.4Å
210	Y	96.3	Very high	97.9	Very high	103 Å²	103	53.6 Å²	53.6	40%	0.404	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.7	-179.1	68.7	-98.2	0	0	0	113.9	A212 R213 F214	Y210-A212 VanDerWaalsContact C-N 3.27Å; Y210-A212 PolarHBondContact O-N 2.91Å; Y210-R213 PolarHBondContact O-N 2.92Å; Y210-F214 HydrophobicContact CD2-CD2 4.05Å; Y210-F214 AromaticContact CD2-CE2 3.45Å; Y210-F214 HydrophobicContact CD2-CE2 3.45Å; Y210-F214 VanDerWaalsContact CD2-CE2 3.45Å; Y210-F214 HydrophobicContact CD2-CZ 4Å; Y210-F214 HydrophobicContact CE2-CD2 4.22Å; Y210-F214 AromaticContact CE2-CE2 3.6Å; Y210-F214 HydrophobicContact CE2-CE2 3.6Å; Y210-F214 HydrophobicContact CE2-CZ 4.46Å
211	R	97.4	Very high	97.9	Very high	8 Å²	8	54.1 Å²	54.1	3%	0.03	26%	0.257	C	S	.	.	H	α-helix	trans	-71.7	-22.1	-179	-58.4	-179.6	-164.1	74.5	-4.1	112.5	I152 S155 N156 F208 G209 R213 F214 L215	I152-R211 WeakPolarHBondContact O-CD 3.4Å; S155-R211 VanDerWaalsContact O-CZ 3.27Å; S155-R211 PolarHBondContact O-NE 3.45Å; S155-R211 VanDerWaalsContact O-NE 3.1Å; S155-R211 PolarHBondContact O-NH2 3.07Å; S155-R211 PolarHBondContact OG-NE 3.1Å; N156-R211 PolarHBondContact O-NH2 3.27Å; F208-R211 PolarHBondContact O-N 3.46Å; G209-R211 PolarHBondContact O-N 3.24Å; G209-R211 VanDerWaalsContact O-N 3.12Å; R211-R213 PolarHBondContact O-N 3.05Å; R211-F214 WeakPolarHBondContact O-CB 3.43Å; R211-F214 PolarHBondContact O-N 3.33Å; R211-L215 WeakPolarHBondContact O-CG 3.31Å; R211-L215 PolarHBondContact O-N 2.87Å
212	A	98.1	Very high	97.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-52.9	-46.1	175.3	0	0	0	0	0	111.5	E200 L203 R204 F208 G209 Y210 F214 L215 Q216	E200-A212 HydrophobicContact CG-CB 4.24Å; E200-A212 WeakPolarHBondContact O-CB 3.11Å; L203-A212 HydrophobicContact CB-CB 3.64Å; R204-A212 HydrophobicContact CG-CB 3.65Å; F208-A212 HydrophobicContact CB-CB 4.09Å; G209-A212 WeakPolarHBondContact O-CB 3.24Å; G209-A212 PolarHBondContact O-N 3.4Å; Y210-A212 VanDerWaalsContact C-N 3.27Å; Y210-A212 PolarHBondContact O-N 2.91Å; A212-F214 PolarHBondContact O-N 2.95Å; A212-L215 PolarHBondContact O-N 3.17Å; A212-Q216 PolarHBondContact O-N 3.29Å; A212-Q216 VanDerWaalsContact O-N 3.16Å
213	R	98.2	Very high	97.9	Very high	123 Å²	123	44.1 Å²	44.1	46%	0.464	22%	0.216	S	C	.	.	H	α-helix	trans	-59	-45.1	175	-178.9	179.7	166.7	174.4	2.2	112	E200 Y210 R211 L215 Q217	E200-R213 HydrophobicContact CG-CB 4.37Å; Y210-R213 PolarHBondContact O-N 2.92Å; R211-R213 PolarHBondContact O-N 3.05Å; R213-L215 PolarHBondContact O-N 2.88Å; R213-Q217 VanDerWaalsContact CG-CD 3.42Å; R213-Q217 HydrophobicContact CG-CG 4.09Å; R213-Q217 VanDerWaalsContact NE-NE2 3.15Å; R213-Q217 VanDerWaalsContact O-CB 3.24Å; R213-Q217 WeakPolarHBondContact O-CB 3.33Å; R213-Q217 VanDerWaalsContact O-CG 3.26Å; R213-Q217 WeakPolarHBondContact O-CG 3.33Å; R213-Q217 PolarHBondContact O-N 2.94Å
214	F	98.4	Very high	97.9	Very high	54 Å²	54	49.1 Å²	49.1	24%	0.237	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-40.5	-177.9	-62.2	-21.3	0	0	0	112.6	I152 Y210 R211 A212 S218 P250 G251	I152-F214 HydrophobicContact CG2-CB 3.73Å; Y210-F214 HydrophobicContact CD2-CD2 4.05Å; Y210-F214 AromaticContact CD2-CE2 3.45Å; Y210-F214 HydrophobicContact CD2-CE2 3.45Å; Y210-F214 VanDerWaalsContact CD2-CE2 3.45Å; Y210-F214 HydrophobicContact CD2-CZ 4Å; Y210-F214 HydrophobicContact CE2-CD2 4.22Å; Y210-F214 AromaticContact CE2-CE2 3.6Å; Y210-F214 HydrophobicContact CE2-CE2 3.6Å; Y210-F214 HydrophobicContact CE2-CZ 4.46Å; R211-F214 WeakPolarHBondContact O-CB 3.43Å; R211-F214 PolarHBondContact O-N 3.33Å; A212-F214 PolarHBondContact O-N 2.95Å; F214-S218 WeakPolarHBondContact O-CB 3.06Å; F214-S218 PolarHBondContact O-N 3.3Å; F214-S218 PolarHBondContact O-OG 3.08Å; F214-P250 WeakPolarHBondContact CB-O 3.33Å; F214-P250 HydrophobicContact CD1-CB 3.96Å; F214-G251 VanDerWaalsContact CD2-CA 3.41Å
215	L	98.4	Very high	97.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.7	-52.4	177.3	-64	170	0	0	0	110.9	F149 I152 L203 F208 R211 A212 R213 A219	F149-L215 HydrophobicContact CB-CD2 3.96Å; F149-L215 HydrophobicContact CD1-CB 4.36Å; F149-L215 HydrophobicContact CD1-CD2 3.67Å; F149-L215 VanDerWaalsContact CE1-O 3.23Å; F149-L215 WeakPolarHBondContact CE1-O 3.38Å; F149-L215 HydrophobicContact CG-CD2 4.3Å; F149-L215 WeakPolarHBondContact O-CD2 3.27Å; I152-L215 HydrophobicContact CB-CD2 3.88Å; I152-L215 HydrophobicContact CD1-CD2 4.4Å; I152-L215 HydrophobicContact CG2-CD2 3.72Å; I152-L215 HydrophobicContact CG2-CG 4.14Å; L203-L215 HydrophobicContact CD1-CB 4.07Å; L203-L215 HydrophobicContact CD1-CD1 3.74Å; F208-L215 HydrophobicContact CD1-CD1 3.45Å; F208-L215 VanDerWaalsContact CD1-CD1 3.45Å; F208-L215 HydrophobicContact CE1-CD1 3.7Å; R211-L215 WeakPolarHBondContact O-CG 3.31Å; R211-L215 PolarHBondContact O-N 2.87Å; A212-L215 PolarHBondContact O-N 3.17Å; R213-L215 PolarHBondContact O-N 2.88Å; L215-A219 PolarHBondContact O-N 2.94Å
216	Q	98.6	Very high	97.7	Very high	17 Å²	17	45.9 Å²	45.9	8%	0.079	24%	0.235	C	C	.	.	H	α-helix	trans	-65.6	-47	-177.9	-171.2	-79.5	-22	0	0	111.8	L194 A195 D196 V199 E200 A212 S218 A219 K220	L194-Q216 WeakPolarHBondContact O-CA 3.44Å; A195-Q216 PolarHBondContact O-NE2 3.29Å; D196-Q216 WeakPolarHBondContact O-CG 3.45Å; V199-Q216 HydrophobicContact CB-CB 4.39Å; V199-Q216 HydrophobicContact CB-CG 3.97Å; V199-Q216 HydrophobicContact CG1-CB 4.25Å; V199-Q216 HydrophobicContact CG1-CG 4.35Å; E200-Q216 HydrophobicContact CB-CB 4.15Å; E200-Q216 HydrophobicContact CB-CG 4.36Å; A212-Q216 PolarHBondContact O-N 3.29Å; A212-Q216 VanDerWaalsContact O-N 3.16Å; Q216-S218 PolarHBondContact O-N 3.28Å; Q216-A219 PolarHBondContact O-N 2.96Å; Q216-K220 WeakPolarHBondContact O-CB 3.46Å; Q216-K220 PolarHBondContact O-N 3.47Å
217	Q	98.4	Very high	97.6	Very high	59 Å²	59	44.2 Å²	44.2	28%	0.276	23%	0.231	S	C	.	.	H	α-helix	trans	-69.6	-36.1	-176.7	-67.6	-175.9	-6.1	0	0	112.6	R213 K220 Q221 P250	R213-Q217 VanDerWaalsContact CG-CD 3.42Å; R213-Q217 HydrophobicContact CG-CG 4.09Å; R213-Q217 VanDerWaalsContact NE-NE2 3.15Å; R213-Q217 VanDerWaalsContact O-CB 3.24Å; R213-Q217 WeakPolarHBondContact O-CB 3.33Å; R213-Q217 VanDerWaalsContact O-CG 3.26Å; R213-Q217 WeakPolarHBondContact O-CG 3.33Å; R213-Q217 PolarHBondContact O-N 2.94Å; Q217-K220 PolarHBondContact O-N 3.24Å; Q217-Q221 VanDerWaalsContact O-CB 3.3Å; Q217-Q221 WeakPolarHBondContact O-CB 3.19Å; Q217-Q221 PolarHBondContact O-N 3.35Å; Q217-P250 HydrophobicContact CB-CB 4.32Å; Q217-P250 HydrophobicContact CB-CG 3.91Å
218	S	98.6	Very high	97.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.2	-43.9	174.8	-61.4	0	0	0	0	111.3	F214 Q216 K220 Q221 I222 P250	F214-S218 WeakPolarHBondContact O-CB 3.06Å; F214-S218 PolarHBondContact O-N 3.3Å; F214-S218 PolarHBondContact O-OG 3.08Å; Q216-S218 PolarHBondContact O-N 3.28Å; S218-K220 VanDerWaalsContact C-N 3.35Å; S218-K220 PolarHBondContact O-N 3.44Å; S218-Q221 PolarHBondContact O-N 3.5Å; S218-I222 WeakPolarHBondContact O-CD1 3.48Å; S218-I222 WeakPolarHBondContact O-CG1 3.43Å; S218-I222 PolarHBondContact O-N 3.45Å; S218-P250 WeakPolarHBondContact OG-CD 3.42Å; S218-P250 PolarHBondContact OG-O 3.41Å
219	A	98.6	Very high	97.4	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-44.4	176.7	0	0	0	0	0	111.6	F149 L191 L194 A195 L215 Q216 I222 L223	F149-A219 HydrophobicContact CE1-CB 3.9Å; F149-A219 HydrophobicContact CZ-CB 3.69Å; L191-A219 HydrophobicContact CD2-CB 4.46Å; L194-A219 HydrophobicContact CB-CB 3.44Å; L194-A219 VanDerWaalsContact CB-CB 3.44Å; A195-A219 HydrophobicContact CB-CB 4Å; L215-A219 PolarHBondContact O-N 2.94Å; Q216-A219 PolarHBondContact O-N 2.96Å; A219-I222 PolarHBondContact O-N 3.48Å; A219-L223 PolarHBondContact O-N 3.46Å; A219-L223 VanDerWaalsContact O-N 3.11Å
220	K	98.4	Very high	97.4	Very high	91 Å²	91	53.3 Å²	53.3	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-61.1	-47.7	175.9	-178.1	165.1	178.3	50.5	0	112.2	A195 Q216 Q217 S218 I222 L223 D224	A195-K220 HydrophobicContact CB-CB 4.21Å; Q216-K220 WeakPolarHBondContact O-CB 3.46Å; Q216-K220 PolarHBondContact O-N 3.47Å; Q217-K220 PolarHBondContact O-N 3.24Å; S218-K220 VanDerWaalsContact C-N 3.35Å; S218-K220 PolarHBondContact O-N 3.44Å; K220-I222 VanDerWaalsContact C-N 3.33Å; K220-I222 PolarHBondContact O-N 2.9Å; K220-L223 PolarHBondContact O-N 3.44Å; K220-D224 WeakPolarHBondContact CE-OD2 3.45Å; K220-D224 WeakPolarHBondContact CG-OD2 3.26Å; K220-D224 IonicContact NZ-OD1 3.4Å; K220-D224 IonicContact NZ-OD2 3.49Å; K220-D224 PolarHBondContact NZ-OD2 3.35Å; K220-D224 WeakPolarHBondContact O-CB 3.36Å; K220-D224 VanDerWaalsContact O-CG 3.23Å; K220-D224 PolarHBondContact O-N 3.48Å
221	Q	98.4	Very high	97.5	Very high	55 Å²	55	48.5 Å²	48.5	26%	0.257	24%	0.241	S	C	.	.	H	α-helix	trans	-60.7	-41.7	178.2	-179.8	175.6	-19.3	0	0	112.1	Q217 S218 T225 T248 L249 P250	Q217-Q221 VanDerWaalsContact O-CB 3.3Å; Q217-Q221 WeakPolarHBondContact O-CB 3.19Å; Q217-Q221 PolarHBondContact O-N 3.35Å; S218-Q221 PolarHBondContact O-N 3.5Å; Q221-T225 VanDerWaalsContact O-CB 3.27Å; Q221-T225 WeakPolarHBondContact O-CB 3.35Å; Q221-T225 PolarHBondContact O-N 3.17Å; Q221-T225 PolarHBondContact O-OG1 2.72Å; Q221-T248 PolarHBondContact NE2-O 2.75Å; Q221-T248 VanDerWaalsContact NE2-O 3.17Å; Q221-L249 HydrophobicContact CB-CD2 4.45Å; Q221-L249 HydrophobicContact CG-CD2 4.24Å; Q221-P250 VanDerWaalsContact OE1-CD 3.25Å
222	I	98.4	Very high	97.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.255	C	S	.	.	I	π-helix	trans	-59.3	-49.8	176.5	-69.5	165.4	0	0	0	110.4	L148 F149 L191 S218 A219 K220 H226 G227 W230 L231 L249	L148-I222 HydrophobicContact CD2-CD1 3.87Å; F149-I222 HydrophobicContact CZ-CD1 4.17Å; L191-I222 HydrophobicContact CD1-CG2 3.84Å; L191-I222 HydrophobicContact CD2-CD1 4.2Å; L191-I222 HydrophobicContact CD2-CG2 4.31Å; S218-I222 WeakPolarHBondContact O-CD1 3.48Å; S218-I222 WeakPolarHBondContact O-CG1 3.43Å; S218-I222 PolarHBondContact O-N 3.45Å; A219-I222 PolarHBondContact O-N 3.48Å; K220-I222 VanDerWaalsContact C-N 3.33Å; K220-I222 PolarHBondContact O-N 2.9Å; I222-H226 CarbonylContact O-C 3.56Å; I222-H226 PolarHBondContact O-N 3.43Å; I222-G227 PolarHBondContact O-N 3.32Å; I222-W230 HydrophobicContact CD1-CE3 4.43Å; I222-W230 HydrophobicContact CD1-CZ3 4.14Å; I222-W230 HydrophobicContact CG1-CE3 3.91Å; I222-W230 HydrophobicContact CG1-CZ3 3.74Å; I222-W230 HydrophobicContact CG2-CE3 4.18Å; I222-L231 HydrophobicContact CD1-CD1 4Å; I222-L231 HydrophobicContact CD1-CD2 4.1Å; I222-L231 HydrophobicContact CD1-CG 4.14Å; I222-L249 HydrophobicContact CD1-CD1 4.04Å; I222-L249 HydrophobicContact CD1-CD2 4.37Å; I222-L249 HydrophobicContact CG1-CD1 4.37Å; I222-L249 HydrophobicContact CG1-CD2 3.89Å
223	L	98	Very high	97.5	Very high	48 Å²	48	52.2 Å²	52.2	25%	0.251	27%	0.27	S	S	.	.	I	π-helix	trans	-66.3	-44.3	-179.3	-70	178.8	0	0	0	112.8	L191 A195 A219 K220 P228	L191-L223 HydrophobicContact CB-CD1 4.33Å; L191-L223 HydrophobicContact CB-CD2 3.97Å; L191-L223 HydrophobicContact CB-CG 4.18Å; L191-L223 HydrophobicContact CD1-CD2 4.37Å; A195-L223 HydrophobicContact CB-CD1 3.63Å; A219-L223 PolarHBondContact O-N 3.46Å; A219-L223 VanDerWaalsContact O-N 3.11Å; K220-L223 PolarHBondContact O-N 3.44Å; L223-P228 HydrophobicContact CD2-CB 4.31Å
224	D	97.3	Very high	97.5	Very high	107 Å²	107	46.6 Å²	46.6	57%	0.572	25%	0.25	S	C	*	.	I	π-helix	trans	-73.8	-33.9	-174	-68.1	-10.4	0	0	0	112.3	K220	K220-D224 WeakPolarHBondContact CE-OD2 3.45Å; K220-D224 WeakPolarHBondContact CG-OD2 3.26Å; K220-D224 IonicContact NZ-OD1 3.4Å; K220-D224 IonicContact NZ-OD2 3.49Å; K220-D224 PolarHBondContact NZ-OD2 3.35Å; K220-D224 WeakPolarHBondContact O-CB 3.36Å; K220-D224 VanDerWaalsContact O-CG 3.23Å; K220-D224 PolarHBondContact O-N 3.48Å
225	T	96.9	Very high	97.5	Very high	97 Å²	97	46.3 Å²	46.3	60%	0.595	25%	0.247	S	C	*	.	I	π-helix	trans	-107	-35.8	-170.7	-49.8	0	0	0	0	113.7	Q221	Q221-T225 VanDerWaalsContact O-CB 3.27Å; Q221-T225 WeakPolarHBondContact O-CB 3.35Å; Q221-T225 PolarHBondContact O-N 3.17Å; Q221-T225 PolarHBondContact O-OG1 2.72Å
226	H	95	Very high	97.5	Very high	75 Å²	75	53.3 Å²	53.3	35%	0.347	28%	0.284	S	S	.	.	I	π-helix	trans	-119	-27.8	-168	-56.3	-72.6	0	0	0	114.1	I222 W230	I222-H226 CarbonylContact O-C 3.56Å; I222-H226 PolarHBondContact O-N 3.43Å; H226-W230 HydrophobicContact CB-CB 3.51Å; H226-W230 HydrophobicContact CB-CD2 3.76Å; H226-W230 HydrophobicContact CB-CE3 4.36Å; H226-W230 HydrophobicContact CB-CG 3.37Å; H226-W230 AromaticContact CG-CD1 3.95Å; H226-W230 AromaticContact CG-CD2 3.83Å; H226-W230 AromaticContact CG-CE2 3.86Å; H226-W230 AromaticContact CG-CG 3.87Å; H226-W230 AromaticContact CG-NE1 3.94Å; H226-W230 AromaticContact ND1-CD1 3.96Å; H226-W230 AromaticContact ND1-CE2 3.94Å; H226-W230 AromaticContact ND1-NE1 3.71Å
227	G	95.2	Very high	97.5	Very high	19 Å²	19	54.1 Å²	54.1	20%	0.196	29%	0.291	C	S	.	.			trans	89	167.3	-175.6	0	0	0	0	0	114.3	I222 Q229 W230	I222-G227 PolarHBondContact O-N 3.32Å; G227-Q229 VanDerWaalsContact C-N 3.27Å; G227-Q229 PolarHBondContact O-N 2.82Å; G227-W230 WeakPolarHBondContact O-CB 3.42Å; G227-W230 PolarHBondContact O-N 3.03Å
228	P	92.9	Very high	97.5	Very high	83 Å²	83	55.4 Å²	55.4	54%	0.539	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-20.3	-169.1	26.6	-35.6	0	0	0	114.6	L223	L223-P228 HydrophobicContact CD2-CB 4.31Å
229	Q	96.4	Very high	97.5	Very high	139 Å²	139	56 Å²	56	65%	0.65	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-5.2	-178.4	-64.2	-58.2	-38.9	0	0	113.6	G227 L231 V232 G233	G227-Q229 VanDerWaalsContact C-N 3.27Å; G227-Q229 PolarHBondContact O-N 2.82Å; Q229-L231 PolarHBondContact O-N 3.21Å; Q229-V232 PolarHBondContact O-N 3.43Å; Q229-G233 PolarHBondContact O-N 2.89Å
230	W	98.1	Very high	97.4	Very high	42 Å²	42	60.6 Å²	60.6	16%	0.159	33%	0.33	C	S	.	.	H	α-helix	trans	-59.1	-46.7	-174	173.7	73.6	0	0	0	112.9	I222 H226 G227 V232 G233 L234 L249	I222-W230 HydrophobicContact CD1-CE3 4.43Å; I222-W230 HydrophobicContact CD1-CZ3 4.14Å; I222-W230 HydrophobicContact CG1-CE3 3.91Å; I222-W230 HydrophobicContact CG1-CZ3 3.74Å; I222-W230 HydrophobicContact CG2-CE3 4.18Å; H226-W230 HydrophobicContact CB-CB 3.51Å; H226-W230 HydrophobicContact CB-CD2 3.76Å; H226-W230 HydrophobicContact CB-CE3 4.36Å; H226-W230 HydrophobicContact CB-CG 3.37Å; H226-W230 AromaticContact CG-CD1 3.95Å; H226-W230 AromaticContact CG-CD2 3.83Å; H226-W230 AromaticContact CG-CE2 3.86Å; H226-W230 AromaticContact CG-CG 3.87Å; H226-W230 AromaticContact CG-NE1 3.94Å; H226-W230 AromaticContact ND1-CD1 3.96Å; H226-W230 AromaticContact ND1-CE2 3.94Å; H226-W230 AromaticContact ND1-NE1 3.71Å; G227-W230 WeakPolarHBondContact O-CB 3.42Å; G227-W230 PolarHBondContact O-N 3.03Å; W230-V232 VanDerWaalsContact C-N 3.31Å; W230-V232 PolarHBondContact O-N 3.14Å; W230-G233 WeakPolarHBondContact O-CA 3.35Å; W230-G233 PolarHBondContact O-N 3.44Å; W230-L234 HydrophobicContact CH2-CD1 4.22Å; W230-L234 HydrophobicContact CZ2-CD1 4.15Å; W230-L234 HydrophobicContact CZ2-CD2 4.39Å; W230-L234 HydrophobicContact CZ3-CD1 4.43Å; W230-L234 WeakPolarHBondContact O-CG 3.48Å; W230-L234 PolarHBondContact O-N 3.36Å; W230-L234 VanDerWaalsContact O-N 3.12Å; W230-L249 HydrophobicContact CH2-CD1 4.16Å; W230-L249 HydrophobicContact CH2-CD2 4.35Å; W230-L249 HydrophobicContact CH2-CG 4.29Å; W230-L249 HydrophobicContact CZ3-CD1 4Å; W230-L249 HydrophobicContact CZ3-CD2 4.35Å; W230-L249 HydrophobicContact CZ3-CG 4.48Å
231	L	97.9	Very high	97.5	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-59.2	-41.5	179.8	-70.7	178	0	0	0	112.6	P144 L148 L191 I222 Q229 G233 L234 L246 L265	P144-L231 HydrophobicContact CB-CB 3.82Å; L148-L231 HydrophobicContact CD2-CD1 3.98Å; L148-L231 HydrophobicContact CD2-CD2 3.69Å; L148-L231 HydrophobicContact CD2-CG 4.49Å; L191-L231 HydrophobicContact CD2-CD1 4.42Å; I222-L231 HydrophobicContact CD1-CD1 4Å; I222-L231 HydrophobicContact CD1-CD2 4.1Å; I222-L231 HydrophobicContact CD1-CG 4.14Å; Q229-L231 PolarHBondContact O-N 3.21Å; L231-G233 VanDerWaalsContact C-N 3.35Å; L231-L234 HydrophobicContact CD2-CD1 4.44Å; L231-L234 PolarHBondContact O-N 2.96Å; L231-L246 HydrophobicContact CD2-CD2 4.19Å; L231-L265 VanDerWaalsContact O-CD2 3.31Å; L231-L265 WeakPolarHBondContact O-CD2 3.29Å
232	V	97.8	Very high	97.5	Very high	55 Å²	55	58.6 Å²	58.6	33%	0.333	32%	0.322	S	S	.	.	H	α-helix	trans	-67.3	-40.4	176.4	-179.9	0	0	0	0	110.3	P144 Q229 W230 L234 R235	P144-V232 HydrophobicContact CG-CG2 4.26Å; Q229-V232 PolarHBondContact O-N 3.43Å; W230-V232 VanDerWaalsContact C-N 3.31Å; W230-V232 PolarHBondContact O-N 3.14Å; V232-L234 PolarHBondContact O-N 3.32Å; V232-R235 WeakPolarHBondContact O-CB 3.32Å; V232-R235 PolarHBondContact O-N 3.02Å; V232-R235 VanDerWaalsContact O-N 3.11Å
233	G	98.2	Very high	97.5	Very high	31 Å²	31	60.3 Å²	60.3	32%	0.32	33%	0.329	S	S	.	.	H	α-helix	trans	-58.2	-28.7	176.6	0	0	0	0	0	114.1	Q229 W230 L231 R235 N236	Q229-G233 PolarHBondContact O-N 2.89Å; W230-G233 WeakPolarHBondContact O-CA 3.35Å; W230-G233 PolarHBondContact O-N 3.44Å; L231-G233 VanDerWaalsContact C-N 3.35Å; G233-R235 PolarHBondContact O-N 3.37Å; G233-R235 VanDerWaalsContact O-N 3.11Å; G233-N236 PolarHBondContact O-N 3.07Å
234	L	98.6	Very high	97.5	Very high	6 Å²	6	61.3 Å²	61.3	3%	0.031	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-63.6	-15.3	177.1	-62.1	179.9	0	0	0	113.7	W230 L231 V232 N236 V237 A242 L246 L265 K267	W230-L234 HydrophobicContact CH2-CD1 4.22Å; W230-L234 HydrophobicContact CZ2-CD1 4.15Å; W230-L234 HydrophobicContact CZ2-CD2 4.39Å; W230-L234 HydrophobicContact CZ3-CD1 4.43Å; W230-L234 WeakPolarHBondContact O-CG 3.48Å; W230-L234 PolarHBondContact O-N 3.36Å; W230-L234 VanDerWaalsContact O-N 3.12Å; L231-L234 HydrophobicContact CD2-CD1 4.44Å; L231-L234 PolarHBondContact O-N 2.96Å; V232-L234 PolarHBondContact O-N 3.32Å; L234-N236 PolarHBondContact O-N 3.34Å; L234-V237 HydrophobicContact CD2-CG2 4.14Å; L234-A242 HydrophobicContact CB-CB 4.35Å; L234-L246 HydrophobicContact CD1-CD2 3.79Å; L234-L246 HydrophobicContact CD1-CG 3.96Å; L234-L265 HydrophobicContact CB-CD1 3.77Å; L234-L265 HydrophobicContact CB-CD2 4.08Å; L234-L265 HydrophobicContact CB-CG 4.47Å; L234-L265 HydrophobicContact CD1-CD1 4.09Å; L234-K267 WeakPolarHBondContact O-CE 3.2Å
235	R	98.5	Very high	97.5	Very high	48 Å²	48	57.8 Å²	57.8	18%	0.181	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-60.2	-29.5	168.6	-74.9	174.4	176.3	177.2	-1.6	112.5	Q142 V232 G233 C264 L265 D266 K267	Q142-R235 PolarHBondContact O-NH2 3.34Å; Q142-R235 VanDerWaalsContact O-NH2 3.1Å; V232-R235 WeakPolarHBondContact O-CB 3.32Å; V232-R235 PolarHBondContact O-N 3.02Å; V232-R235 VanDerWaalsContact O-N 3.11Å; G233-R235 PolarHBondContact O-N 3.37Å; G233-R235 VanDerWaalsContact O-N 3.11Å; R235-C264 PolarHBondContact NE-O 3.44Å; R235-C264 PolarHBondContact NH2-O 3.08Å; R235-L265 HydrophobicContact CG-CB 4.46Å; R235-L265 HydrophobicContact CG-CD2 4.29Å; R235-D266 WeakPolarHBondContact CD-OD2 3.33Å; R235-D266 WeakPolarHBondContact CG-OD2 2.94Å; R235-D266 IonicContact NE-OD2 2.66Å; R235-K267 PolarHBondContact O-NZ 3.44Å
236	N	98.3	Very high	97.6	Very high	147 Å²	147	53.2 Å²	53.2	79%	0.786	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-95.4	-6.1	-172.2	-60.4	-38.9	0	0	0	114.2	G233 L234	G233-N236 PolarHBondContact O-N 3.07Å; L234-N236 PolarHBondContact O-N 3.34Å
237	V	98.4	Very high	97.7	Very high	34 Å²	34	53.5 Å²	53.5	21%	0.206	29%	0.288	C	S	.	.	S	Bend	trans	-98.8	158.3	178.2	-52.2	0	0	0	0	111.2	L234 E241 A242 K267	L234-V237 HydrophobicContact CD2-CG2 4.14Å; V237-E241 HydrophobicContact CB-CB 4.47Å; V237-E241 HydrophobicContact CB-CG 4.38Å; V237-E241 HydrophobicContact CG2-CB 4.27Å; V237-E241 HydrophobicContact CG2-CG 4.3Å; V237-A242 HydrophobicContact CG2-CB 3.76Å; V237-K267 WeakPolarHBondContact O-CE 3.38Å; V237-K267 PolarHBondContact O-NZ 3.39Å
238	P	98.4	Very high	97.9	Very high	85 Å²	85	56.4 Å²	56.4	55%	0.552	30%	0.302	S	S	*	.			trans	-56.9	151.8	176.3	-25.8	35.8	0	0	0	113.4	L240 E241 A242	P238-L240 PolarHBondContact O-N 2.87Å; P238-E241 WeakPolarHBondContact CD-OE2 3.17Å; P238-E241 PolarHBondContact O-N 3.18Å; P238-E241 VanDerWaalsContact O-N 3.11Å; P238-A242 PolarHBondContact O-N 3.11Å
239	Y	98.3	Very high	98.1	Very high	13 Å²	13	52.7 Å²	52.7	5%	0.051	28%	0.277	C	S	.	.	H	α-helix	trans	-51.8	-47.6	-177.1	159	-131.9	0	0	0	113.9	E241 A242 R243 D258 C261 K267 E269 A270	Y239-E241 VanDerWaalsContact C-N 3.32Å; Y239-E241 PolarHBondContact O-N 2.94Å; Y239-A242 PolarHBondContact O-N 3.27Å; Y239-R243 HydrophobicContact CD2-CB 4.4Å; Y239-R243 HydrophobicContact CE2-CB 4.12Å; Y239-R243 HydrophobicContact CE2-CG 4.48Å; Y239-R243 WeakPolarHBondContact O-CB 3.28Å; Y239-R243 PolarHBondContact O-N 3.45Å; Y239-D258 WeakPolarHBondContact CE2-OD1 3.44Å; Y239-D258 PolarHBondContact OH-OD1 3.41Å; Y239-C261 HydrophobicContact CD2-CB 4.01Å; Y239-C261 HydrophobicContact CE2-CB 4.05Å; Y239-K267 HydrophobicContact CD2-CB 4.01Å; Y239-K267 HydrophobicContact CD2-CG 4.23Å; Y239-K267 HydrophobicContact CG-CB 4.32Å; Y239-E269 WeakPolarHBondContact CB-OE1 3.48Å; Y239-E269 HydrophobicContact CD1-CG 3.7Å; Y239-E269 HydrophobicContact CE1-CG 4.32Å; Y239-E269 HydrophobicContact CG-CG 4.13Å; Y239-A270 HydrophobicContact CD2-CB 3.96Å; Y239-A270 HydrophobicContact CE2-CB 3.47Å; Y239-A270 VanDerWaalsContact CE2-CB 3.47Å
240	L	97.3	Very high	98.2	Very high	96 Å²	96	47.4 Å²	47.4	50%	0.503	26%	0.255	S	S	.	.	H	α-helix	trans	-64.6	-38.8	-178.3	-62.6	-179.4	0	0	0	111.9	P238 R243 D244	P238-L240 PolarHBondContact O-N 2.87Å; L240-R243 PolarHBondContact O-N 2.92Å; L240-D244 WeakPolarHBondContact O-CB 3.4Å; L240-D244 VanDerWaalsContact O-CG 3.23Å; L240-D244 PolarHBondContact O-N 3.3Å
241	E	98.4	Very high	98	Very high	105 Å²	105	46.5 Å²	46.5	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-66.4	-45.3	176.7	-173.1	-178.4	153.8	0	0	111.3	V237 P238 Y239 R243 D244 S245	V237-E241 HydrophobicContact CB-CB 4.47Å; V237-E241 HydrophobicContact CB-CG 4.38Å; V237-E241 HydrophobicContact CG2-CB 4.27Å; V237-E241 HydrophobicContact CG2-CG 4.3Å; P238-E241 WeakPolarHBondContact CD-OE2 3.17Å; P238-E241 PolarHBondContact O-N 3.18Å; P238-E241 VanDerWaalsContact O-N 3.11Å; Y239-E241 VanDerWaalsContact C-N 3.32Å; Y239-E241 PolarHBondContact O-N 2.94Å; E241-R243 VanDerWaalsContact C-N 3.34Å; E241-R243 PolarHBondContact O-N 2.95Å; E241-D244 PolarHBondContact O-N 3Å; E241-S245 WeakPolarHBondContact O-CB 3.22Å; E241-S245 PolarHBondContact O-N 2.88Å; E241-S245 PolarHBondContact O-OG 3.44Å
242	A	98.6	Very high	98	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.3	-46.2	175	0	0	0	0	0	111.3	L234 V237 P238 Y239 S245 L246 L265	L234-A242 HydrophobicContact CB-CB 4.35Å; V237-A242 HydrophobicContact CG2-CB 3.76Å; P238-A242 PolarHBondContact O-N 3.11Å; Y239-A242 PolarHBondContact O-N 3.27Å; A242-S245 PolarHBondContact O-N 3.34Å; A242-L246 VanDerWaalsContact O-CG 3.28Å; A242-L246 WeakPolarHBondContact O-CG 3.2Å; A242-L246 PolarHBondContact O-N 2.91Å; A242-L265 HydrophobicContact CB-CD1 4.34Å
243	R	98.3	Very high	97.9	Very high	35 Å²	35	46 Å²	46	13%	0.132	26%	0.264	C	S	.	.	H	α-helix	trans	-62.2	-48.7	179.8	-173.8	-163.8	68.8	-160.6	-6.1	111.7	Y239 L240 E241 S245 L246 R247 A257 D258	Y239-R243 HydrophobicContact CD2-CB 4.4Å; Y239-R243 HydrophobicContact CE2-CB 4.12Å; Y239-R243 HydrophobicContact CE2-CG 4.48Å; Y239-R243 WeakPolarHBondContact O-CB 3.28Å; Y239-R243 PolarHBondContact O-N 3.45Å; L240-R243 PolarHBondContact O-N 2.92Å; E241-R243 VanDerWaalsContact C-N 3.34Å; E241-R243 PolarHBondContact O-N 2.95Å; R243-S245 VanDerWaalsContact C-N 3.32Å; R243-L246 PolarHBondContact O-N 3.48Å; R243-R247 WeakPolarHBondContact O-CG 3.36Å; R243-R247 PolarHBondContact O-N 2.72Å; R243-R247 VanDerWaalsContact O-N 3.11Å; R243-A257 HydrophobicContact CG-CB 3.71Å; R243-D258 WeakPolarHBondContact CD-OD1 3.36Å; R243-D258 VanDerWaalsContact CG-OD1 3.31Å; R243-D258 WeakPolarHBondContact CG-OD1 3.48Å
244	D	98.3	Very high	97.7	Very high	70 Å²	70	45.6 Å²	45.6	37%	0.374	26%	0.255	S	S	.	.	H	α-helix	trans	-70.4	-33.3	-176.8	-66.1	-17.6	0	0	0	110.9	L240 E241 R247	L240-D244 WeakPolarHBondContact O-CB 3.4Å; L240-D244 VanDerWaalsContact O-CG 3.23Å; L240-D244 PolarHBondContact O-N 3.3Å; E241-D244 PolarHBondContact O-N 3Å; D244-R247 PolarHBondContact O-N 3.34Å; D244-R247 IonicContact OD1-NH1 3.56Å; D244-R247 PolarHBondContact OD1-NH1 2.96Å
245	S	98.4	Very high	97.5	Very high	33 Å²	33	47.9 Å²	47.9	23%	0.231	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-43.7	170.2	-62.3	0	0	0	0	112.5	E241 A242 R243 R247 T248	E241-S245 WeakPolarHBondContact O-CB 3.22Å; E241-S245 PolarHBondContact O-N 2.88Å; E241-S245 PolarHBondContact O-OG 3.44Å; A242-S245 PolarHBondContact O-N 3.34Å; R243-S245 VanDerWaalsContact C-N 3.32Å; S245-R247 VanDerWaalsContact C-N 3.3Å; S245-R247 PolarHBondContact O-N 3.42Å; S245-T248 PolarHBondContact O-N 2.98Å; S245-T248 PolarHBondContact O-OG1 3.38Å
246	L	98.6	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-35.6	176.6	-73.5	169.6	0	0	0	112.4	L148 L231 L234 A242 R243 T248 L249 V252 A257 V260 L265	L148-L246 HydrophobicContact CD1-CD2 4.38Å; L231-L246 HydrophobicContact CD2-CD2 4.19Å; L234-L246 HydrophobicContact CD1-CD2 3.79Å; L234-L246 HydrophobicContact CD1-CG 3.96Å; A242-L246 VanDerWaalsContact O-CG 3.28Å; A242-L246 WeakPolarHBondContact O-CG 3.2Å; A242-L246 PolarHBondContact O-N 2.91Å; R243-L246 PolarHBondContact O-N 3.48Å; L246-T248 PolarHBondContact O-N 3.18Å; L246-L249 HydrophobicContact CD2-CD1 4.48Å; L246-L249 WeakPolarHBondContact O-CB 3.46Å; L246-L249 WeakPolarHBondContact O-CG 3.21Å; L246-L249 PolarHBondContact O-N 3.35Å; L246-L249 VanDerWaalsContact O-N 3.09Å; L246-V252 HydrophobicContact CB-CG1 4.11Å; L246-V252 WeakPolarHBondContact O-CB 3.23Å; L246-V252 VanDerWaalsContact O-CG1 3.27Å; L246-V252 WeakPolarHBondContact O-CG1 3.27Å; L246-A257 HydrophobicContact CB-CB 4.02Å; L246-A257 HydrophobicContact CD1-CB 4.38Å; L246-V260 HydrophobicContact CD1-CB 3.8Å; L246-V260 HydrophobicContact CD1-CG1 3.59Å; L246-V260 HydrophobicContact CD2-CG1 4.02Å; L246-V260 HydrophobicContact CG-CG1 4.47Å; L246-L265 HydrophobicContact CD1-CD1 3.74Å; L246-L265 HydrophobicContact CG-CD1 4.44Å
247	R	97.9	Very high	97.5	Very high	82 Å²	82	39 Å²	39	31%	0.309	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.4	-179.2	-73.6	172.9	69.4	-154.7	5.6	114	R243 D244 S245 L249 A257 E298	R243-R247 WeakPolarHBondContact O-CG 3.36Å; R243-R247 PolarHBondContact O-N 2.72Å; R243-R247 VanDerWaalsContact O-N 3.11Å; D244-R247 PolarHBondContact O-N 3.34Å; D244-R247 IonicContact OD1-NH1 3.56Å; D244-R247 PolarHBondContact OD1-NH1 2.96Å; S245-R247 VanDerWaalsContact C-N 3.3Å; S245-R247 PolarHBondContact O-N 3.42Å; R247-L249 PolarHBondContact O-N 3.25Å; R247-A257 HydrophobicContact CG-CB 3.82Å; R247-E298 IonicContact CZ-OE1 3.27Å; R247-E298 IonicContact NH2-OE1 2.69Å; R247-E298 PolarHBondContact NH2-OE1 3.33Å; R247-E298 IonicContact NH2-OE2 2.71Å
248	T	97.9	Very high	97.5	Very high	79 Å²	79	37.5 Å²	37.5	49%	0.485	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-11.1	172.4	71.8	0	0	0	0	112.5	Q221 S245 L246	Q221-T248 PolarHBondContact NE2-O 2.75Å; Q221-T248 VanDerWaalsContact NE2-O 3.17Å; S245-T248 PolarHBondContact O-N 2.98Å; S245-T248 PolarHBondContact O-OG1 3.38Å; L246-T248 PolarHBondContact O-N 3.18Å
249	L	98.4	Very high	97.5	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.026	19%	0.186	C	C	.	.	S	Bend	trans	-85.9	142.4	-179.1	-59.9	176.5	0	0	0	112.1	L148 Q221 I222 W230 L246 R247 G251 V252	L148-L249 HydrophobicContact CD1-CD1 4.31Å; L148-L249 HydrophobicContact CD2-CD1 3.68Å; Q221-L249 HydrophobicContact CB-CD2 4.45Å; Q221-L249 HydrophobicContact CG-CD2 4.24Å; I222-L249 HydrophobicContact CD1-CD1 4.04Å; I222-L249 HydrophobicContact CD1-CD2 4.37Å; I222-L249 HydrophobicContact CG1-CD1 4.37Å; I222-L249 HydrophobicContact CG1-CD2 3.89Å; W230-L249 HydrophobicContact CH2-CD1 4.16Å; W230-L249 HydrophobicContact CH2-CD2 4.35Å; W230-L249 HydrophobicContact CH2-CG 4.29Å; W230-L249 HydrophobicContact CZ3-CD1 4Å; W230-L249 HydrophobicContact CZ3-CD2 4.35Å; W230-L249 HydrophobicContact CZ3-CG 4.48Å; L246-L249 HydrophobicContact CD2-CD1 4.48Å; L246-L249 WeakPolarHBondContact O-CB 3.46Å; L246-L249 WeakPolarHBondContact O-CG 3.21Å; L246-L249 PolarHBondContact O-N 3.35Å; L246-L249 VanDerWaalsContact O-N 3.09Å; R247-L249 PolarHBondContact O-N 3.25Å; L249-G251 PolarHBondContact O-N 2.84Å; L249-V252 HydrophobicContact CB-CB 4.23Å; L249-V252 HydrophobicContact CB-CG2 3.77Å; L249-V252 HydrophobicContact CD1-CG2 4.44Å; L249-V252 PolarHBondContact O-N 3.4Å; L249-V252 VanDerWaalsContact O-N 3.15Å
250	P	97.3	Very high	97.5	Very high	28 Å²	28	32.9 Å²	32.9	18%	0.182	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	125.7	174.6	-28.1	34.7	0	0	0	113.1	F214 Q217 S218 Q221 V252	F214-P250 WeakPolarHBondContact CB-O 3.33Å; F214-P250 HydrophobicContact CD1-CB 3.96Å; Q217-P250 HydrophobicContact CB-CB 4.32Å; Q217-P250 HydrophobicContact CB-CG 3.91Å; S218-P250 WeakPolarHBondContact OG-CD 3.42Å; S218-P250 PolarHBondContact OG-O 3.41Å; Q221-P250 VanDerWaalsContact OE1-CD 3.25Å; P250-V252 VanDerWaalsContact C-N 3.31Å; P250-V252 PolarHBondContact O-N 2.96Å
251	G	95.1	Very high	97.5	Very high	23 Å²	23	28.3 Å²	28.3	24%	0.237	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	4	177.5	0	0	0	0	0	115.2	F214 L249	F214-G251 VanDerWaalsContact CD2-CA 3.41Å; L249-G251 PolarHBondContact O-N 2.84Å
252	V	97.9	Very high	97.5	Very high	9 Å²	9	23.5 Å²	23.5	6%	0.055	14%	0.138	C	C	.	.			trans	-101.8	96.8	177.2	-176.3	0	0	0	0	110.5	L148 I152 L246 L249 P250 V256 A257	L148-V252 HydrophobicContact CD1-CG2 3.85Å; I152-V252 HydrophobicContact CD1-CG2 4.1Å; I152-V252 HydrophobicContact CG1-CG2 3.96Å; L246-V252 HydrophobicContact CB-CG1 4.11Å; L246-V252 WeakPolarHBondContact O-CB 3.23Å; L246-V252 VanDerWaalsContact O-CG1 3.27Å; L246-V252 WeakPolarHBondContact O-CG1 3.27Å; L249-V252 HydrophobicContact CB-CB 4.23Å; L249-V252 HydrophobicContact CB-CG2 3.77Å; L249-V252 HydrophobicContact CD1-CG2 4.44Å; L249-V252 PolarHBondContact O-N 3.4Å; L249-V252 VanDerWaalsContact O-N 3.15Å; P250-V252 VanDerWaalsContact C-N 3.31Å; P250-V252 PolarHBondContact O-N 2.96Å; V252-V256 HydrophobicContact CB-CG1 4.36Å; V252-V256 HydrophobicContact CG1-CB 4.18Å; V252-V256 HydrophobicContact CG1-CG1 3.92Å; V252-V256 HydrophobicContact CG2-CG1 4.21Å; V252-A257 HydrophobicContact CG1-CB 3.97Å
253	G	95.4	Very high	97.5	Very high	38 Å²	38	24.2 Å²	24.2	39%	0.392	14%	0.141	S	C	.	.			trans	-88.9	179.5	169.3	0	0	0	0	0	112.6	K255 V256 A257	G253-K255 VanDerWaalsContact C-N 3.33Å; G253-K255 PolarHBondContact O-N 2.88Å; G253-V256 PolarHBondContact O-N 3.24Å; G253-A257 PolarHBondContact O-N 3.24Å
254	T	94.4	Very high	97.5	Very high	22 Å²	22	22.5 Å²	22.5	14%	0.135	14%	0.135	C	C	.	.	H	α-helix	trans	-50.4	-48.4	-178	-46.4	0	0	0	0	113.1	V256 A257 D258	T254-V256 PolarHBondContact O-N 2.86Å; T254-A257 PolarHBondContact O-N 2.97Å; T254-D258 PolarHBondContact O-N 3.11Å
255	K	94.6	Very high	97.6	Very high	53 Å²	53	19.2 Å²	19.2	23%	0.23	12%	0.117	C	C	.	.	H	α-helix	trans	-62	-44.2	179.2	-172.2	-85.2	-178.3	-169	0	112.6	G253 D258 C259 P272 D274	G253-K255 VanDerWaalsContact C-N 3.33Å; G253-K255 PolarHBondContact O-N 2.88Å; K255-D258 PolarHBondContact O-N 3.46Å; K255-C259 VanDerWaalsContact CE-SG 3.58Å; K255-C259 PolarHBondContact NZ-SG 3.36Å; K255-C259 PolarHBondContact O-N 3.21Å; K255-C259 PolarHBondContact O-SG 2.96Å; K255-C259 VanDerWaalsContact O-SG 3.41Å; K255-P272 HydrophobicContact CG-CB 4.43Å; K255-D274 HydrophobicContact CD-CB 4.47Å; K255-D274 HydrophobicContact CG-CB 4.05Å
256	V	97.1	Very high	97.6	Very high	10 Å²	10	20.2 Å²	20.2	6%	0.061	12%	0.12	C	C	.	.	H	α-helix	trans	-66	-45.2	-179.8	174.2	0	0	0	0	109.6	F151 V252 G253 T254 D258 C259 V260	F151-V256 HydrophobicContact CB-CG1 4.07Å; V252-V256 HydrophobicContact CB-CG1 4.36Å; V252-V256 HydrophobicContact CG1-CB 4.18Å; V252-V256 HydrophobicContact CG1-CG1 3.92Å; V252-V256 HydrophobicContact CG2-CG1 4.21Å; G253-V256 PolarHBondContact O-N 3.24Å; T254-V256 PolarHBondContact O-N 2.86Å; V256-D258 VanDerWaalsContact C-N 3.33Å; V256-D258 PolarHBondContact O-N 3.17Å; V256-C259 WeakPolarHBondContact O-CB 3.42Å; V256-C259 PolarHBondContact O-N 2.9Å; V256-V260 WeakPolarHBondContact O-CG2 3.17Å; V256-V260 PolarHBondContact O-N 2.75Å
257	A	98.3	Very high	97.6	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58.1	-45.2	175.8	0	0	0	0	0	111.6	R243 L246 R247 V252 G253 T254 C259 V260 C261	R243-A257 HydrophobicContact CG-CB 3.71Å; L246-A257 HydrophobicContact CB-CB 4.02Å; L246-A257 HydrophobicContact CD1-CB 4.38Å; R247-A257 HydrophobicContact CG-CB 3.82Å; V252-A257 HydrophobicContact CG1-CB 3.97Å; G253-A257 PolarHBondContact O-N 3.24Å; T254-A257 PolarHBondContact O-N 2.97Å; A257-C259 PolarHBondContact O-N 3.49Å; A257-V260 PolarHBondContact O-N 2.73Å; A257-C261 WeakPolarHBondContact O-CB 3.22Å; A257-C261 PolarHBondContact O-N 3.49Å; A257-C261 PolarHBondContact O-SG 3.07Å; A257-C261 VanDerWaalsContact O-SG 3.32Å
258	D	98.2	Very high	97.6	Very high	1 Å²	1	18 Å²	18	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-67.5	-35.4	178.4	-72.8	-17.1	0	0	0	112.7	Y239 R243 T254 K255 V256 C261 L262 P272 H301	Y239-D258 WeakPolarHBondContact CE2-OD1 3.44Å; Y239-D258 PolarHBondContact OH-OD1 3.41Å; R243-D258 WeakPolarHBondContact CD-OD1 3.36Å; R243-D258 VanDerWaalsContact CG-OD1 3.31Å; R243-D258 WeakPolarHBondContact CG-OD1 3.48Å; T254-D258 PolarHBondContact O-N 3.11Å; K255-D258 PolarHBondContact O-N 3.46Å; V256-D258 VanDerWaalsContact C-N 3.33Å; V256-D258 PolarHBondContact O-N 3.17Å; D258-C261 PolarHBondContact O-N 2.93Å; D258-L262 VanDerWaalsContact O-CB 3.28Å; D258-L262 WeakPolarHBondContact O-CB 3.36Å; D258-L262 PolarHBondContact O-N 2.93Å; D258-P272 HydrophobicContact CB-CB 3.96Å; D258-P272 HydrophobicContact CB-CG 4.11Å; D258-H301 IonicContact OD2-CE1 3.52Å; D258-H301 PolarHBondContact OD2-CE1 3.17Å; D258-H301 IonicContact OD2-ND1 3.02Å; D258-H301 IonicContact OD2-NE2 2.82Å
259	C	98	Very high	97.6	Very high	2 Å²	2	17 Å²	17	1%	0.014	10%	0.104	C	C	.	.	H	α-helix	trans	-59.9	-45.9	171.1	-76.4	0	0	0	0	111.5	F151 K255 V256 A257 L262 M263 P272	F151-C259 HydrophobicContact CD1-CB 3.51Å; F151-C259 HydrophobicContact CD2-CB 4.27Å; F151-C259 HydrophobicContact CE1-CB 3.7Å; F151-C259 HydrophobicContact CE2-CB 4.43Å; F151-C259 HydrophobicContact CG-CB 3.85Å; F151-C259 HydrophobicContact CZ-CB 4.2Å; K255-C259 VanDerWaalsContact CE-SG 3.58Å; K255-C259 PolarHBondContact NZ-SG 3.36Å; K255-C259 PolarHBondContact O-N 3.21Å; K255-C259 PolarHBondContact O-SG 2.96Å; K255-C259 VanDerWaalsContact O-SG 3.41Å; V256-C259 WeakPolarHBondContact O-CB 3.42Å; V256-C259 PolarHBondContact O-N 2.9Å; A257-C259 PolarHBondContact O-N 3.49Å; C259-L262 PolarHBondContact O-N 3.03Å; C259-M263 HydrophobicContact CB-CE 4.47Å; C259-M263 VanDerWaalsContact O-CB 3.26Å; C259-M263 WeakPolarHBondContact O-CB 3.5Å; C259-M263 VanDerWaalsContact O-CG 3.22Å; C259-M263 WeakPolarHBondContact O-CG 3.39Å; C259-M263 PolarHBondContact O-N 3.34Å; C259-P272 HydrophobicContact CB-CG 4.46Å; C259-P272 WeakPolarHBondContact SG-CB 3.46Å
260	V	98.6	Very high	97.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.7	-44.5	179.4	175.8	0	0	0	0	110.5	L148 F151 L246 V256 A257 L262 M263 C264 L265	L148-V260 HydrophobicContact CB-CG2 4.34Å; L148-V260 HydrophobicContact CD1-CG2 4.05Å; F151-V260 HydrophobicContact CB-CG2 4.28Å; L246-V260 HydrophobicContact CD1-CB 3.8Å; L246-V260 HydrophobicContact CD1-CG1 3.59Å; L246-V260 HydrophobicContact CD2-CG1 4.02Å; L246-V260 HydrophobicContact CG-CG1 4.47Å; V256-V260 WeakPolarHBondContact O-CG2 3.17Å; V256-V260 PolarHBondContact O-N 2.75Å; A257-V260 PolarHBondContact O-N 2.73Å; V260-L262 VanDerWaalsContact C-N 3.33Å; V260-L262 PolarHBondContact O-N 3.31Å; V260-M263 PolarHBondContact O-N 3.18Å; V260-C264 WeakPolarHBondContact CG1-SG 3.22Å; V260-C264 PolarHBondContact O-N 3.39Å; V260-C264 VanDerWaalsContact O-N 3.11Å; V260-C264 PolarHBondContact O-SG 3.33Å; V260-L265 HydrophobicContact CG1-CD1 3.97Å; V260-L265 HydrophobicContact CG1-CG 4.15Å; V260-L265 PolarHBondContact O-N 2.92Å
261	C	98.8	Very high	97.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-53.3	-49.4	174	-76.4	0	0	0	0	112.1	Y239 A257 D258 L265 K267 A270	Y239-C261 HydrophobicContact CD2-CB 4.01Å; Y239-C261 HydrophobicContact CE2-CB 4.05Å; A257-C261 WeakPolarHBondContact O-CB 3.22Å; A257-C261 PolarHBondContact O-N 3.49Å; A257-C261 PolarHBondContact O-SG 3.07Å; A257-C261 VanDerWaalsContact O-SG 3.32Å; D258-C261 PolarHBondContact O-N 2.93Å; C261-L265 CarbonylContact O-C 3.57Å; C261-L265 PolarHBondContact O-N 3.03Å; C261-K267 HydrophobicContact CB-CB 3.92Å; C261-K267 HydrophobicContact CB-CG 3.92Å; C261-K267 WeakPolarHBondContact O-CB 3.39Å; C261-K267 PolarHBondContact O-N 3.49Å; C261-K267 VanDerWaalsContact O-N 3.09Å; C261-A270 HydrophobicContact CB-CB 3.81Å
262	L	98.7	Very high	97.7	Very high	4 Å²	4	14.6 Å²	14.6	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-69.9	-43.5	-177.2	-179.5	57.2	0	0	0	113.2	M139 D258 C259 V260 A270 P272	M139-L262 HydrophobicContact CE-CD1 3.98Å; M139-L262 HydrophobicContact CE-CD2 3.55Å; M139-L262 HydrophobicContact CE-CG 3.62Å; M139-L262 HydrophobicContact CG-CD1 4.45Å; M139-L262 HydrophobicContact CG-CG 4.49Å; M139-L262 HydrophobicContact SD-CD1 4.42Å; M139-L262 HydrophobicContact SD-CD2 4.36Å; M139-L262 HydrophobicContact SD-CG 3.89Å; D258-L262 VanDerWaalsContact O-CB 3.28Å; D258-L262 WeakPolarHBondContact O-CB 3.36Å; D258-L262 PolarHBondContact O-N 2.93Å; C259-L262 PolarHBondContact O-N 3.03Å; V260-L262 VanDerWaalsContact C-N 3.33Å; V260-L262 PolarHBondContact O-N 3.31Å; L262-A270 HydrophobicContact CB-CB 4.04Å; L262-P272 HydrophobicContact CD2-CG 3.98Å
263	M	98.4	Very high	97.5	Very high	14 Å²	14	14.2 Å²	14.2	7%	0.069	8%	0.082	C	C	.	.	H	α-helix	trans	-98.9	-9.3	-163.8	-58.7	-178.6	-170.3	0	0	114.5	Q34 M139 Q142 F151 C259 V260	Q34-M263 HydrophobicContact CB-CE 4.49Å; Q34-M263 HydrophobicContact CB-SD 4.05Å; Q34-M263 HydrophobicContact CG-CE 4.15Å; Q34-M263 HydrophobicContact CG-SD 4.28Å; M139-M263 HydrophobicContact SD-CB 4.35Å; M139-M263 HydrophobicContact SD-CG 3.69Å; Q142-M263 PolarHBondContact N-O 3Å; F151-M263 HydrophobicContact CE1-CE 4.36Å; F151-M263 HydrophobicContact CE1-SD 4.17Å; F151-M263 HydrophobicContact CE2-SD 3.43Å; F151-M263 WeakPolarHBondContact CE2-SD 3.48Å; F151-M263 HydrophobicContact CZ-CE 3.85Å; F151-M263 HydrophobicContact CZ-SD 3.19Å; F151-M263 WeakPolarHBondContact CZ-SD 3.26Å; C259-M263 HydrophobicContact CB-CE 4.47Å; C259-M263 VanDerWaalsContact O-CB 3.26Å; C259-M263 WeakPolarHBondContact O-CB 3.5Å; C259-M263 VanDerWaalsContact O-CG 3.22Å; C259-M263 WeakPolarHBondContact O-CG 3.39Å; C259-M263 PolarHBondContact O-N 3.34Å; V260-M263 PolarHBondContact O-N 3.18Å
264	C	98.2	Very high	97.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-147.6	-10.9	176.9	67.9	0	0	0	0	116	Q142 P144 C147 R235 V260	Q142-C264 HydrophobicContact CB-CB 4.16Å; Q142-C264 WeakPolarHBondContact O-CB 3.46Å; P144-C264 HydrophobicContact CG-CB 4.42Å; C147-C264 HydrophobicContact CB-CB 3.67Å; C147-C264 VanDerWaalsContact CB-SG 3.54Å; R235-C264 PolarHBondContact NE-O 3.44Å; R235-C264 PolarHBondContact NH2-O 3.08Å; V260-C264 WeakPolarHBondContact CG1-SG 3.22Å; V260-C264 PolarHBondContact O-N 3.39Å; V260-C264 VanDerWaalsContact O-N 3.11Å; V260-C264 PolarHBondContact O-SG 3.33Å
265	L	98.7	Very high	96.9	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.09	C	C	.	.	S	Bend	trans	-110.1	16.1	-177	-51.7	-178	0	0	0	114.4	P144 L231 L234 R235 A242 L246 V260 C261 K267	P144-L265 HydrophobicContact CB-CD2 4.1Å; P144-L265 HydrophobicContact CG-CD2 4.16Å; L231-L265 VanDerWaalsContact O-CD2 3.31Å; L231-L265 WeakPolarHBondContact O-CD2 3.29Å; L234-L265 HydrophobicContact CB-CD1 3.77Å; L234-L265 HydrophobicContact CB-CD2 4.08Å; L234-L265 HydrophobicContact CB-CG 4.47Å; L234-L265 HydrophobicContact CD1-CD1 4.09Å; R235-L265 HydrophobicContact CG-CB 4.46Å; R235-L265 HydrophobicContact CG-CD2 4.29Å; A242-L265 HydrophobicContact CB-CD1 4.34Å; L246-L265 HydrophobicContact CD1-CD1 3.74Å; L246-L265 HydrophobicContact CG-CD1 4.44Å; V260-L265 HydrophobicContact CG1-CD1 3.97Å; V260-L265 HydrophobicContact CG1-CG 4.15Å; V260-L265 PolarHBondContact O-N 2.92Å; C261-L265 CarbonylContact O-C 3.57Å; C261-L265 PolarHBondContact O-N 3.03Å; L265-K267 VanDerWaalsContact C-N 3.26Å; L265-K267 HydrophobicContact CB-CG 4.31Å; L265-K267 WeakPolarHBondContact O-CD 3.38Å; L265-K267 WeakPolarHBondContact O-CE 3.45Å; L265-K267 PolarHBondContact O-N 2.66Å; L265-K267 PolarHBondContact O-NZ 3.11Å
266	D	98.5	Very high	96.6	Very high	54 Å²	54	18.1 Å²	18.1	29%	0.289	10%	0.096	S	C	.	.			trans	62.2	26.6	174.2	-50.9	-32.1	0	0	0	114.2	R141 R235 C268	R141-D266 IonicContact CZ-OD1 3.73Å; R141-D266 IonicContact CZ-OD2 2.69Å; R141-D266 IonicContact NE-OD1 2.56Å; R141-D266 PolarHBondContact NE-OD1 3.21Å; R141-D266 IonicContact NE-OD2 3.13Å; R141-D266 PolarHBondContact NE-OD2 3.45Å; R141-D266 IonicContact NH2-OD1 3.66Å; R141-D266 IonicContact NH2-OD2 2.89Å; R141-D266 PolarHBondContact NH2-OD2 3.44Å; R235-D266 WeakPolarHBondContact CD-OD2 3.33Å; R235-D266 WeakPolarHBondContact CG-OD2 2.94Å; R235-D266 IonicContact NE-OD2 2.66Å; D266-C268 PolarHBondContact O-N 3.37Å
267	K	98.6	Very high	96.3	Very high	16 Å²	16	17.7 Å²	17.7	7%	0.07	9%	0.094	C	C	.	.			trans	-98.3	77	178.6	-46.5	-49.9	176.4	-159.4	0	110.8	L234 R235 V237 Y239 C261 L265 E269 A270	L234-K267 WeakPolarHBondContact O-CE 3.2Å; R235-K267 PolarHBondContact O-NZ 3.44Å; V237-K267 WeakPolarHBondContact O-CE 3.38Å; V237-K267 PolarHBondContact O-NZ 3.39Å; Y239-K267 HydrophobicContact CD2-CB 4.01Å; Y239-K267 HydrophobicContact CD2-CG 4.23Å; Y239-K267 HydrophobicContact CG-CB 4.32Å; C261-K267 HydrophobicContact CB-CB 3.92Å; C261-K267 HydrophobicContact CB-CG 3.92Å; C261-K267 WeakPolarHBondContact O-CB 3.39Å; C261-K267 PolarHBondContact O-N 3.49Å; C261-K267 VanDerWaalsContact O-N 3.09Å; L265-K267 VanDerWaalsContact C-N 3.26Å; L265-K267 HydrophobicContact CB-CG 4.31Å; L265-K267 WeakPolarHBondContact O-CD 3.38Å; L265-K267 WeakPolarHBondContact O-CE 3.45Å; L265-K267 PolarHBondContact O-N 2.66Å; L265-K267 PolarHBondContact O-NZ 3.11Å; K267-E269 WeakPolarHBondContact CA-OE2 3.41Å; K267-E269 PolarHBondContact O-N 3.14Å; K267-E269 VanDerWaalsContact O-N 3.1Å; K267-A270 HydrophobicContact CB-CB 4.17Å; K267-A270 VanDerWaalsContact O-CB 3.28Å; K267-A270 WeakPolarHBondContact O-CB 3.48Å; K267-A270 PolarHBondContact O-N 2.81Å
268	C	98.3	Very high	95.9	Very high	18 Å²	18	18.7 Å²	18.7	12%	0.122	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.8	-174.1	-61.5	0	0	0	0	113.6	D266 P314 Y315 G317 W318	D266-C268 PolarHBondContact O-N 3.37Å; C268-P314 CarbonylContact C-O 3.54Å; C268-P314 WeakPolarHBondContact CB-O 3.01Å; C268-Y315 HydrophobicContact CB-CD1 3.6Å; C268-Y315 HydrophobicContact CB-CE1 3.92Å; C268-Y315 HydrophobicContact CB-CG 4.06Å; C268-Y315 CarbonylContact O-C 3.55Å; C268-Y315 VanDerWaalsContact SG-CE1 3.57Å; C268-G317 WeakPolarHBondContact O-CA 3.31Å; C268-G317 PolarHBondContact O-N 3.06Å; C268-W318 PolarHBondContact SG-NE1 3.15Å
269	E	98.1	Very high	95.5	Very high	60 Å²	60	23.2 Å²	23.2	28%	0.28	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-10.1	178	72.2	-87.5	-145.4	0	0	113.9	Y239 K267 V271 R309 P314	Y239-E269 WeakPolarHBondContact CB-OE1 3.48Å; Y239-E269 HydrophobicContact CD1-CG 3.7Å; Y239-E269 HydrophobicContact CE1-CG 4.32Å; Y239-E269 HydrophobicContact CG-CG 4.13Å; K267-E269 WeakPolarHBondContact CA-OE2 3.41Å; K267-E269 PolarHBondContact O-N 3.14Å; K267-E269 VanDerWaalsContact O-N 3.1Å; E269-V271 PolarHBondContact O-N 2.87Å; E269-R309 HydrophobicContact CB-CG 4.49Å; E269-R309 WeakPolarHBondContact O-CD 3.47Å; E269-R309 VanDerWaalsContact O-CG 3.31Å; E269-R309 WeakPolarHBondContact O-CG 3.28Å; E269-R309 PolarHBondContact O-NH1 3.3Å; E269-P314 WeakPolarHBondContact CA-O 3.46Å; E269-P314 PolarHBondContact N-O 2.81Å; E269-P314 VanDerWaalsContact N-O 3.07Å
270	A	98.3	Very high	95.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.			trans	-69.6	127.7	179.3	0	0	0	0	0	110.4	Y239 C261 L262 K267 G317	Y239-A270 HydrophobicContact CD2-CB 3.96Å; Y239-A270 HydrophobicContact CE2-CB 3.47Å; Y239-A270 VanDerWaalsContact CE2-CB 3.47Å; C261-A270 HydrophobicContact CB-CB 3.81Å; L262-A270 HydrophobicContact CB-CB 4.04Å; K267-A270 HydrophobicContact CB-CB 4.17Å; K267-A270 VanDerWaalsContact O-CB 3.28Å; K267-A270 WeakPolarHBondContact O-CB 3.48Å; K267-A270 PolarHBondContact O-N 2.81Å; A270-G317 WeakPolarHBondContact O-CA 3.16Å
271	V	97.9	Very high	94.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.			trans	-120.5	98.8	-178.7	-178.8	0	0	0	0	108	E269 V273 F308 R309 A316 H320	E269-V271 PolarHBondContact O-N 2.87Å; V271-V273 HydrophobicContact CG1-CG2 4.3Å; V271-V273 PolarHBondContact O-N 3.22Å; V271-V273 VanDerWaalsContact O-N 3.15Å; V271-F308 HydrophobicContact CG1-CB 4.37Å; V271-F308 HydrophobicContact CG1-CD2 4.15Å; V271-F308 HydrophobicContact CG2-CB 4.29Å; V271-R309 HydrophobicContact CG2-CG 4.34Å; V271-A316 HydrophobicContact CG2-CB 4Å; V271-H320 HydrophobicContact CG1-CB 4.21Å
272	P	96.2	Very high	94.4	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.032	13%	0.134	C	C	.	.			trans	-72	107.6	-179.2	-10.4	24.5	0	0	0	109.9	K255 D258 C259 L262 V277	K255-P272 HydrophobicContact CG-CB 4.43Å; D258-P272 HydrophobicContact CB-CB 3.96Å; D258-P272 HydrophobicContact CB-CG 4.11Å; C259-P272 HydrophobicContact CB-CG 4.46Å; C259-P272 WeakPolarHBondContact SG-CB 3.46Å; L262-P272 HydrophobicContact CD2-CG 3.98Å; P272-V277 WeakPolarHBondContact O-CG2 3.24Å
273	V	93.6	Very high	94.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.			trans	-92.6	110.8	-177.7	-173.6	0	0	0	0	109.4	V271 V277 L296 H301 I304	V271-V273 HydrophobicContact CG1-CG2 4.3Å; V271-V273 PolarHBondContact O-N 3.22Å; V271-V273 VanDerWaalsContact O-N 3.15Å; V273-V277 HydrophobicContact CB-CG1 4.47Å; V273-V277 HydrophobicContact CG1-CB 4.13Å; V273-V277 HydrophobicContact CG1-CG1 4.16Å; V273-V277 HydrophobicContact CG2-CG1 4.34Å; V273-L296 HydrophobicContact CG1-CD1 3.97Å; V273-L296 HydrophobicContact CG1-CD2 4.45Å; V273-L296 WeakPolarHBondContact O-CD2 3.24Å; V273-H301 PolarHBondContact N-NE2 3.32Å; V273-H301 VanDerWaalsContact N-NE2 3.14Å; V273-H301 PolarHBondContact O-CD2 3.03Å; V273-H301 PolarHBondContact O-NE2 2.97Å; V273-I304 HydrophobicContact CG1-CB 4.25Å; V273-I304 HydrophobicContact CG1-CD1 4.07Å; V273-I304 HydrophobicContact CG1-CG2 3.96Å; V273-I304 HydrophobicContact CG2-CB 4.15Å; V273-I304 HydrophobicContact CG2-CG2 3.81Å
274	D	90.3	Very high	93.8	Very high	29 Å²	29	34.1 Å²	34.1	16%	0.155	16%	0.164	C	C	.	.			trans	-111.6	-167.9	168.8	72.7	14	0	0	0	111.4	K255 H276 V277 W278	K255-D274 HydrophobicContact CD-CB 4.47Å; K255-D274 HydrophobicContact CG-CB 4.05Å; D274-H276 VanDerWaalsContact C-N 3.32Å; D274-H276 PolarHBondContact O-N 3.18Å; D274-H276 WeakPolarHBondContact OD1-CA 3.49Å; D274-H276 VanDerWaalsContact OD1-CB 3.26Å; D274-H276 WeakPolarHBondContact OD1-CB 3.45Å; D274-H276 PolarHBondContact OD1-N 3.4Å; D274-V277 PolarHBondContact O-N 3.3Å; D274-V277 WeakPolarHBondContact OD1-CG2 3.5Å; D274-V277 PolarHBondContact OD1-N 2.93Å; D274-W278 VanDerWaalsContact O-CB 3.3Å; D274-W278 WeakPolarHBondContact O-CB 3.35Å; D274-W278 PolarHBondContact O-N 3.43Å
275	T	87.5	Confident	93.5	Very high	89 Å²	89	35.9 Å²	35.9	55%	0.546	17%	0.171	S	C	.	.	H	α-helix	trans	-62.8	-35.8	177.5	51	0	0	0	0	112.9	Q279	T275-Q279 VanDerWaalsContact O-CG 3.3Å; T275-Q279 WeakPolarHBondContact O-CG 3.41Å; T275-Q279 PolarHBondContact O-N 3.24Å
276	H	88.5	Confident	92.9	Very high	77 Å²	77	44.1 Å²	44.1	36%	0.356	21%	0.207	S	C	.	.	H	α-helix	trans	-66.6	-49.2	176.8	-73.8	-88.5	0	0	0	110.8	D274 W278 Q279 I280 F324 D327	D274-H276 VanDerWaalsContact C-N 3.32Å; D274-H276 PolarHBondContact O-N 3.18Å; D274-H276 WeakPolarHBondContact OD1-CA 3.49Å; D274-H276 VanDerWaalsContact OD1-CB 3.26Å; D274-H276 WeakPolarHBondContact OD1-CB 3.45Å; D274-H276 PolarHBondContact OD1-N 3.4Å; H276-W278 PolarHBondContact O-N 3.41Å; H276-Q279 WeakPolarHBondContact O-CA 3.31Å; H276-Q279 WeakPolarHBondContact O-CB 3.49Å; H276-Q279 PolarHBondContact O-N 3.18Å; H276-I280 WeakPolarHBondContact O-CG1 3.47Å; H276-I280 PolarHBondContact O-N 3.38Å; H276-F324 HydrophobicContact CB-CD2 4.17Å; H276-F324 HydrophobicContact CB-CE2 3.93Å; H276-D327 IonicContact ND1-OD2 3.95Å; H276-D327 PolarHBondContact ND1-OD2 3.1Å; H276-D327 VanDerWaalsContact ND1-OD2 3.1Å
277	V	90.7	Very high	92.1	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-59.7	-40	178.4	-171.6	0	0	0	0	111.1	P272 V273 D274 I280 A281 I304 F308 H320 F324	P272-V277 WeakPolarHBondContact O-CG2 3.24Å; V273-V277 HydrophobicContact CB-CG1 4.47Å; V273-V277 HydrophobicContact CG1-CB 4.13Å; V273-V277 HydrophobicContact CG1-CG1 4.16Å; V273-V277 HydrophobicContact CG2-CG1 4.34Å; D274-V277 PolarHBondContact O-N 3.3Å; D274-V277 WeakPolarHBondContact OD1-CG2 3.5Å; D274-V277 PolarHBondContact OD1-N 2.93Å; V277-I280 PolarHBondContact O-N 3.28Å; V277-A281 WeakPolarHBondContact O-CB 3.27Å; V277-A281 PolarHBondContact O-N 3.46Å; V277-I304 HydrophobicContact CG1-CG2 4.42Å; V277-F308 HydrophobicContact CG1-CE2 4.01Å; V277-H320 WeakPolarHBondContact CG2-NE2 3.47Å; V277-F324 HydrophobicContact CG2-CD2 4.41Å
278	W	90	Very high	90.7	Very high	22 Å²	22	48.4 Å²	48.4	8%	0.083	23%	0.231	C	C	.	.	H	α-helix	trans	-64	-39.3	175	-173.8	35.5	0	0	0	112.8	D274 H276 K282 K294 L296 I304	D274-W278 VanDerWaalsContact O-CB 3.3Å; D274-W278 WeakPolarHBondContact O-CB 3.35Å; D274-W278 PolarHBondContact O-N 3.43Å; H276-W278 PolarHBondContact O-N 3.41Å; W278-K282 VanDerWaalsContact CE2-CE 3.48Å; W278-K282 VanDerWaalsContact CE2-NZ 3.34Å; W278-K282 VanDerWaalsContact NE1-CE 3.34Å; W278-K282 WeakPolarHBondContact O-CG 3.34Å; W278-K282 PolarHBondContact O-N 2.86Å; W278-K282 VanDerWaalsContact O-N 3.1Å; W278-K294 WeakPolarHBondContact CH2-O 3.26Å; W278-L296 HydrophobicContact CB-CD1 4.4Å; W278-L296 HydrophobicContact CG-CD1 4.29Å; W278-I304 HydrophobicContact CB-CD1 4.48Å; W278-I304 VanDerWaalsContact CD1-CD1 3.41Å; W278-I304 HydrophobicContact CG-CD1 4.24Å
279	Q	89.6	Confident	88.8	Confident	95 Å²	95	48.6 Å²	48.6	44%	0.444	23%	0.233	S	C	.	.	H	α-helix	trans	-66.3	-40.9	173.5	-68.3	-48.4	-44.6	0	0	112	T275 H276 K282 R283	T275-Q279 VanDerWaalsContact O-CG 3.3Å; T275-Q279 WeakPolarHBondContact O-CG 3.41Å; T275-Q279 PolarHBondContact O-N 3.24Å; H276-Q279 WeakPolarHBondContact O-CA 3.31Å; H276-Q279 WeakPolarHBondContact O-CB 3.49Å; H276-Q279 PolarHBondContact O-N 3.18Å; Q279-K282 PolarHBondContact O-N 2.91Å; Q279-R283 WeakPolarHBondContact O-CB 3.34Å; Q279-R283 PolarHBondContact O-N 2.67Å
280	I	91.9	Very high	86.7	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.015	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-50.5	175.4	-67.8	165.3	0	0	0	109.9	H276 V277 K282 R283 D284 Y285 L323 D327	H276-I280 WeakPolarHBondContact O-CG1 3.47Å; H276-I280 PolarHBondContact O-N 3.38Å; V277-I280 PolarHBondContact O-N 3.28Å; I280-K282 VanDerWaalsContact C-N 3.28Å; I280-K282 PolarHBondContact O-N 2.91Å; I280-R283 PolarHBondContact O-N 3.18Å; I280-D284 WeakPolarHBondContact O-CB 3.44Å; I280-D284 PolarHBondContact O-N 3.36Å; I280-Y285 HydrophobicContact CG2-CD2 4.33Å; I280-Y285 HydrophobicContact CG2-CE2 3.97Å; I280-L323 HydrophobicContact CD1-CB 4.34Å; I280-L323 HydrophobicContact CG2-CD1 4.06Å; I280-D327 HydrophobicContact CD1-CB 3.92Å; I280-D327 HydrophobicContact CG1-CB 4.31Å
281	A	91.6	Very high	84.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-56.3	-42.2	178	0	0	0	0	0	112.2	V277 Y285 K286 Y287 I304 F308	V277-A281 WeakPolarHBondContact O-CB 3.27Å; V277-A281 PolarHBondContact O-N 3.46Å; A281-Y285 CarbonylContact O-C 3.47Å; A281-Y285 WeakPolarHBondContact O-CB 3.4Å; A281-Y285 PolarHBondContact O-N 2.91Å; A281-K286 PolarHBondContact O-N 3.06Å; A281-Y287 VanDerWaalsContact O-CB 3.26Å; A281-Y287 WeakPolarHBondContact O-CB 3.45Å; A281-Y287 PolarHBondContact O-N 3.04Å; A281-I304 HydrophobicContact CB-CD1 4.46Å; A281-I304 HydrophobicContact CB-CG2 4.22Å; A281-F308 HydrophobicContact CB-CE2 4.18Å; A281-F308 HydrophobicContact CB-CZ 4.11Å
282	K	89.6	Confident	82.7	Confident	73 Å²	73	62.9 Å²	62.9	32%	0.317	33%	0.327	S	S	.	.	H	α-helix	trans	-70.8	-49.7	178	-78.4	178.2	161.5	-178.6	0	113.3	W278 Q279 I280 K286	W278-K282 VanDerWaalsContact CE2-CE 3.48Å; W278-K282 VanDerWaalsContact CE2-NZ 3.34Å; W278-K282 VanDerWaalsContact NE1-CE 3.34Å; W278-K282 WeakPolarHBondContact O-CG 3.34Å; W278-K282 PolarHBondContact O-N 2.86Å; W278-K282 VanDerWaalsContact O-N 3.1Å; Q279-K282 PolarHBondContact O-N 2.91Å; I280-K282 VanDerWaalsContact C-N 3.28Å; I280-K282 PolarHBondContact O-N 2.91Å; K282-K286 WeakPolarHBondContact O-CA 3.34Å; K282-K286 PolarHBondContact O-N 3.3Å
283	R	91.8	Very high	81.2	Confident	130 Å²	130	65.5 Å²	65.5	49%	0.491	34%	0.339	S	S	.	.	H	α-helix	trans	-71	-47.6	-173	-177.7	-173	66.6	-150.2	-6.6	111.6	Q279 I280 D327	Q279-R283 WeakPolarHBondContact O-CB 3.34Å; Q279-R283 PolarHBondContact O-N 2.67Å; I280-R283 PolarHBondContact O-N 3.18Å; R283-D327 IonicContact CZ-OD1 2.77Å; R283-D327 IonicContact NH1-OD1 2.99Å; R283-D327 PolarHBondContact NH1-OD1 3.28Å; R283-D327 IonicContact NH2-OD1 2.77Å; R283-D327 PolarHBondContact NH2-OD1 2.64Å
284	D	92.2	Very high	79.9	Confident	43 Å²	43	74.4 Å²	74.4	23%	0.23	38%	0.378	C	S	.	.	H	α-helix	trans	-100.2	-30.8	-164.7	-58.5	-35.2	0	0	0	112.1	H126 I280	H126-D284 VanDerWaalsContact CE1-CB 3.48Å; H126-D284 WeakPolarHBondContact CE1-CB 3.22Å; H126-D284 IonicContact CE1-OD1 3.65Å; H126-D284 IonicContact CE1-OD2 2.74Å; H126-D284 IonicContact NE2-OD2 3.04Å; I280-D284 WeakPolarHBondContact O-CB 3.44Å; I280-D284 PolarHBondContact O-N 3.36Å
285	Y	91.8	Very high	79.2	Confident	37 Å²	37	77.3 Å²	77.3	15%	0.145	40%	0.397	C	S	.	.	H	α-helix	trans	-107.6	0.3	-179.1	-61.4	-89	0	0	0	113.5	D124 H126 I280 A281 Y287 F307 F308 L311 W312 L323	D124-Y285 VanDerWaalsContact OD2-CE1 3.23Å; D124-Y285 WeakPolarHBondContact OD2-CE1 3.35Å; D124-Y285 VanDerWaalsContact OD2-CZ 3.27Å; D124-Y285 PolarHBondContact OD2-OH 3.39Å; H126-Y285 HydrophobicContact CB-CE1 4.42Å; H126-Y285 AromaticContact CD2-CZ 3.89Å; H126-Y285 PolarHBondContact CD2-OH 2.86Å; I280-Y285 HydrophobicContact CG2-CD2 4.33Å; I280-Y285 HydrophobicContact CG2-CE2 3.97Å; A281-Y285 CarbonylContact O-C 3.47Å; A281-Y285 WeakPolarHBondContact O-CB 3.4Å; A281-Y285 PolarHBondContact O-N 2.91Å; Y285-Y287 PolarHBondContact O-N 3.45Å; Y285-Y287 VanDerWaalsContact O-N 3.1Å; Y285-F307 AromaticContact CD1-CE1 3.92Å; Y285-F307 HydrophobicContact CD1-CE1 3.92Å; Y285-F307 AromaticContact CD1-CZ 3.88Å; Y285-F307 HydrophobicContact CD1-CZ 3.88Å; Y285-F307 AromaticContact CG-CE1 3.93Å; Y285-F307 HydrophobicContact CG-CE1 3.93Å; Y285-F307 HydrophobicContact CG-CZ 4.15Å; Y285-F308 AromaticContact CD2-CE1 3.94Å; Y285-F308 HydrophobicContact CD2-CE1 3.94Å; Y285-F308 HydrophobicContact CD2-CZ 4.07Å; Y285-F308 HydrophobicContact CE1-CE1 4.39Å; Y285-F308 AromaticContact CE2-CE1 3.78Å; Y285-F308 HydrophobicContact CE2-CE1 3.78Å; Y285-F308 HydrophobicContact CE2-CZ 4.14Å; Y285-F308 HydrophobicContact CG-CE1 4.33Å; Y285-L311 HydrophobicContact CD1-CD2 4.29Å; Y285-L311 HydrophobicContact CE1-CD2 3.76Å; Y285-W312 WeakPolarHBondContact OH-CZ2 3.3Å; Y285-L323 HydrophobicContact CE2-CD1 3.94Å; Y285-L323 WeakPolarHBondContact OH-CD1 3.24Å
286	K	86.8	Confident	79	Confident	175 Å²	175	75.9 Å²	75.9	76%	0.761	39%	0.385	S	S	*	.			trans	50.9	33.4	-176.5	-56.7	-179.8	-178.8	179	0	112.2	A281 K282 T288	A281-K286 PolarHBondContact O-N 3.06Å; K282-K286 WeakPolarHBondContact O-CA 3.34Å; K282-K286 PolarHBondContact O-N 3.3Å; K286-T288 PolarHBondContact O-N 2.99Å
287	Y	80.4	Confident	78.9	Confident	49 Å²	49	74.5 Å²	74.5	19%	0.192	38%	0.382	C	S	.	.			trans	-66.7	103.6	179.1	-173.1	-88.2	0	0	0	109.4	A281 Y285 D303 I304 F307	A281-Y287 VanDerWaalsContact O-CB 3.26Å; A281-Y287 WeakPolarHBondContact O-CB 3.45Å; A281-Y287 PolarHBondContact O-N 3.04Å; Y285-Y287 PolarHBondContact O-N 3.45Å; Y285-Y287 VanDerWaalsContact O-N 3.1Å; Y287-D303 WeakPolarHBondContact OH-CB 3.14Å; Y287-I304 HydrophobicContact CD1-CG1 4.07Å; Y287-I304 HydrophobicContact CE1-CG1 3.8Å; Y287-F307 HydrophobicContact CD2-CD2 4.33Å; Y287-F307 HydrophobicContact CD2-CG 4.2Å; Y287-F307 HydrophobicContact CE2-CB 4.22Å; Y287-F307 HydrophobicContact CE2-CG 4.36Å
288	T	68.9	Low	78.7	Confident	110 Å²	110	80 Å²	80	68%	0.675	41%	0.408	S	S	*	.			trans	-90.8	111.1	173.3	50.9	0	0	0	0	108.4	K286 D290	K286-T288 PolarHBondContact O-N 2.99Å; T288-D290 PolarHBondContact O-N 3.26Å
289	S	59.9	Low	78.6	Confident	22 Å²	22	84.2 Å²	84.2	15%	0.154	43%	0.427	C	S	.	.			trans	-66.1	124.2	162.2	-175.6	0	0	0	0	107	N291 Q293	S289-N291 PolarHBondContact O-N 3.26Å; S289-Q293 PolarHBondContact OG-OE1 3.09Å
290	D	53.7	Low	78.5	Confident	148 Å²	148	79.8 Å²	79.8	79%	0.791	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	3.8	-167.1	-85.1	-27.3	0	0	0	117.5	T288	T288-D290 PolarHBondContact O-N 3.26Å
291	N	53	Low	78.4	Confident	145 Å²	145	80.2 Å²	80.2	78%	0.775	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.2	40.2	-173.7	-81.4	-44.7	0	0	0	115.5	S289 Q293	S289-N291 PolarHBondContact O-N 3.26Å; N291-Q293 PolarHBondContact O-N 3.19Å
292	G	58.5	Low	78.4	Confident	68 Å²	68	85.7 Å²	85.7	70%	0.701	43%	0.429	S	S	*	.			trans	60	22.4	171.8	0	0	0	0	0	114.8	K294	G292-K294 PolarHBondContact O-N 3.17Å
293	Q	64.4	Low	78.5	Confident	59 Å²	59	83.9 Å²	83.9	28%	0.276	42%	0.423	S	S	.	.			trans	-61.1	124.4	-176.1	-97.9	176.6	-36.6	0	0	111.8	S289 N291	S289-Q293 PolarHBondContact OG-OE1 3.09Å; N291-Q293 PolarHBondContact O-N 3.19Å
294	K	67	Low	78.6	Confident	188 Å²	188	77.7 Å²	77.7	82%	0.817	40%	0.399	S	S	*	.			trans	-94.5	-5.8	-179.9	-63.4	-175	-179.1	179.1	0	114.1	W278 G292	W278-K294 WeakPolarHBondContact CH2-O 3.26Å; G292-K294 PolarHBondContact O-N 3.17Å
295	T	76.3	Confident	78.7	Confident	90 Å²	90	75.7 Å²	75.7	55%	0.552	39%	0.388	S	S	*	.	S	Bend	trans	-128.1	149	-175.4	56.5	0	0	0	0	112.2	T297	T295-T297 PolarHBondContact O-N 3.49Å
296	L	82.8	Confident	78.9	Confident	59 Å²	59	77.4 Å²	77.4	31%	0.309	40%	0.4	S	S	.	.			trans	-82	90.9	176.2	-172.2	65	0	0	0	109.6	V273 W278 V300	V273-L296 HydrophobicContact CG1-CD1 3.97Å; V273-L296 HydrophobicContact CG1-CD2 4.45Å; V273-L296 WeakPolarHBondContact O-CD2 3.24Å; W278-L296 HydrophobicContact CB-CD1 4.4Å; W278-L296 HydrophobicContact CG-CD1 4.29Å; L296-V300 HydrophobicContact CD1-CB 4.28Å; L296-V300 HydrophobicContact CD1-CG1 3.77Å
297	T	86.3	Confident	79.3	Confident	47 Å²	47	72.2 Å²	72.2	29%	0.288	38%	0.378	S	S	.	.			trans	-83.8	164.3	175.4	63.5	0	0	0	0	111.1	T295 K299 V300 H301	T295-T297 PolarHBondContact O-N 3.49Å; T297-K299 PolarHBondContact O-N 3.11Å; T297-V300 PolarHBondContact O-N 3.19Å; T297-V300 VanDerWaalsContact O-N 3.09Å; T297-V300 WeakPolarHBondContact OG1-CG2 3.46Å; T297-V300 PolarHBondContact OG1-N 3.49Å; T297-H301 PolarHBondContact O-N 2.95Å
298	E	85.9	Confident	80.1	Confident	118 Å²	118	70 Å²	70	55%	0.551	37%	0.369	S	S	*	.	H	α-helix	trans	-57.7	-36.1	175.1	-65.2	-167.1	164.8	0	0	112.7	R247 H301 R302	R247-E298 IonicContact CZ-OE1 3.27Å; R247-E298 IonicContact NH2-OE1 2.69Å; R247-E298 PolarHBondContact NH2-OE1 3.33Å; R247-E298 IonicContact NH2-OE2 2.71Å; E298-H301 PolarHBondContact O-N 3.28Å; E298-R302 WeakPolarHBondContact O-CB 3.22Å; E298-R302 PolarHBondContact O-N 2.73Å
299	K	87.9	Confident	81.5	Confident	110 Å²	110	66.9 Å²	66.9	48%	0.478	35%	0.345	S	S	.	.	H	α-helix	trans	-60.4	-50.7	173.1	175.2	171.3	-167.6	-57.1	0	111.1	T297 H301 R302 D303	T297-K299 PolarHBondContact O-N 3.11Å; K299-H301 VanDerWaalsContact C-N 3.33Å; K299-H301 PolarHBondContact O-N 3.43Å; K299-R302 PolarHBondContact O-N 3.41Å; K299-D303 VanDerWaalsContact CG-OD2 3.32Å; K299-D303 WeakPolarHBondContact CG-OD2 3.47Å; K299-D303 IonicContact NZ-OD2 2.69Å; K299-D303 PolarHBondContact NZ-OD2 3.09Å; K299-D303 WeakPolarHBondContact O-CB 3.37Å; K299-D303 PolarHBondContact O-N 2.92Å
300	V	87.2	Confident	83.3	Confident	1 Å²	1	75.1 Å²	75.1	1%	0.006	38%	0.378	C	S	.	.	H	α-helix	trans	-62.8	-41.5	179.8	175.9	0	0	0	0	111.1	L296 T297 R302 D303 I304	L296-V300 HydrophobicContact CD1-CB 4.28Å; L296-V300 HydrophobicContact CD1-CG1 3.77Å; T297-V300 PolarHBondContact O-N 3.19Å; T297-V300 VanDerWaalsContact O-N 3.09Å; T297-V300 WeakPolarHBondContact OG1-CG2 3.46Å; T297-V300 PolarHBondContact OG1-N 3.49Å; V300-R302 PolarHBondContact O-N 3.15Å; V300-D303 PolarHBondContact O-N 3.5Å; V300-I304 HydrophobicContact CG1-CD1 3.6Å; V300-I304 HydrophobicContact CG1-CG1 4.3Å; V300-I304 WeakPolarHBondContact O-CB 3.44Å; V300-I304 VanDerWaalsContact O-CG1 3.28Å; V300-I304 WeakPolarHBondContact O-CG1 3.3Å; V300-I304 PolarHBondContact O-N 3.4Å
301	H	90.3	Very high	85.4	Confident	12 Å²	12	70.2 Å²	70.2	6%	0.056	35%	0.352	C	S	.	.	H	α-helix	trans	-58.1	-47.9	174.9	-175.4	-54.1	0	0	0	111.3	D258 V273 T297 E298 K299 G305	D258-H301 IonicContact OD2-CE1 3.52Å; D258-H301 PolarHBondContact OD2-CE1 3.17Å; D258-H301 IonicContact OD2-ND1 3.02Å; D258-H301 IonicContact OD2-NE2 2.82Å; V273-H301 PolarHBondContact N-NE2 3.32Å; V273-H301 VanDerWaalsContact N-NE2 3.14Å; V273-H301 PolarHBondContact O-CD2 3.03Å; V273-H301 PolarHBondContact O-NE2 2.97Å; T297-H301 PolarHBondContact O-N 2.95Å; E298-H301 PolarHBondContact O-N 3.28Å; K299-H301 VanDerWaalsContact C-N 3.33Å; K299-H301 PolarHBondContact O-N 3.43Å; H301-G305 PolarHBondContact O-N 3.45Å
302	R	91.4	Very high	87.5	Confident	116 Å²	116	63.9 Å²	63.9	44%	0.438	32%	0.317	S	S	.	.	H	α-helix	trans	-63.7	-50.5	178.9	-176.7	-173.4	61.3	-114.7	-10	111.3	E298 K299 V300 I304 G305 D306	E298-R302 WeakPolarHBondContact O-CB 3.22Å; E298-R302 PolarHBondContact O-N 2.73Å; K299-R302 PolarHBondContact O-N 3.41Å; V300-R302 PolarHBondContact O-N 3.15Å; R302-I304 VanDerWaalsContact C-N 3.34Å; R302-I304 PolarHBondContact O-N 3Å; R302-G305 CarbonylContact O-C 3.59Å; R302-G305 PolarHBondContact O-N 3.5Å; R302-G305 VanDerWaalsContact O-N 3.11Å; R302-D306 WeakPolarHBondContact CG-OD2 3.36Å; R302-D306 PolarHBondContact O-N 2.91Å
303	D	92.3	Very high	89.4	Confident	35 Å²	35	62 Å²	62	19%	0.187	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-38.9	-174.5	-57.2	-10.9	0	0	0	111.3	Y287 K299 V300 D306 F307	Y287-D303 WeakPolarHBondContact OH-CB 3.14Å; K299-D303 VanDerWaalsContact CG-OD2 3.32Å; K299-D303 WeakPolarHBondContact CG-OD2 3.47Å; K299-D303 IonicContact NZ-OD2 2.69Å; K299-D303 PolarHBondContact NZ-OD2 3.09Å; K299-D303 WeakPolarHBondContact O-CB 3.37Å; K299-D303 PolarHBondContact O-N 2.92Å; V300-D303 PolarHBondContact O-N 3.5Å; D303-D306 PolarHBondContact O-N 3.24Å; D303-F307 WeakPolarHBondContact O-CB 3.26Å; D303-F307 PolarHBondContact O-N 3.44Å
304	I	93.4	Very high	90.9	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-66.1	-43	173.1	-69.3	171	0	0	0	111.2	V273 V277 W278 A281 Y287 V300 R302 D306 F307 F308	V273-I304 HydrophobicContact CG1-CB 4.25Å; V273-I304 HydrophobicContact CG1-CD1 4.07Å; V273-I304 HydrophobicContact CG1-CG2 3.96Å; V273-I304 HydrophobicContact CG2-CB 4.15Å; V273-I304 HydrophobicContact CG2-CG2 3.81Å; V277-I304 HydrophobicContact CG1-CG2 4.42Å; W278-I304 HydrophobicContact CB-CD1 4.48Å; W278-I304 VanDerWaalsContact CD1-CD1 3.41Å; W278-I304 HydrophobicContact CG-CD1 4.24Å; A281-I304 HydrophobicContact CB-CD1 4.46Å; A281-I304 HydrophobicContact CB-CG2 4.22Å; Y287-I304 HydrophobicContact CD1-CG1 4.07Å; Y287-I304 HydrophobicContact CE1-CG1 3.8Å; V300-I304 HydrophobicContact CG1-CD1 3.6Å; V300-I304 HydrophobicContact CG1-CG1 4.3Å; V300-I304 WeakPolarHBondContact O-CB 3.44Å; V300-I304 VanDerWaalsContact O-CG1 3.28Å; V300-I304 WeakPolarHBondContact O-CG1 3.3Å; V300-I304 PolarHBondContact O-N 3.4Å; R302-I304 VanDerWaalsContact C-N 3.34Å; R302-I304 PolarHBondContact O-N 3Å; I304-D306 VanDerWaalsContact C-N 3.33Å; I304-D306 PolarHBondContact O-N 3.16Å; I304-F307 WeakPolarHBondContact O-CB 3.36Å; I304-F307 PolarHBondContact O-N 3.17Å; I304-F308 HydrophobicContact CG2-CD2 3.74Å; I304-F308 HydrophobicContact CG2-CE2 3.57Å; I304-F308 VanDerWaalsContact O-CD2 3.29Å; I304-F308 WeakPolarHBondContact O-CD2 3.17Å; I304-F308 PolarHBondContact O-N 3.48Å; I304-F308 VanDerWaalsContact O-N 3.08Å
305	G	95.3	Very high	92.4	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.2	-42.8	176.1	0	0	0	0	0	112.1	H301 R302 F308 R309	H301-G305 PolarHBondContact O-N 3.45Å; R302-G305 CarbonylContact O-C 3.59Å; R302-G305 PolarHBondContact O-N 3.5Å; R302-G305 VanDerWaalsContact O-N 3.11Å; G305-F308 PolarHBondContact O-N 3.46Å; G305-R309 WeakPolarHBondContact O-CB 3.19Å; G305-R309 WeakPolarHBondContact O-CG 3.48Å; G305-R309 PolarHBondContact O-N 3.48Å; G305-R309 PolarHBondContact O-NH1 3.33Å
306	D	95.6	Very high	93.5	Very high	73 Å²	73	54.4 Å²	54.4	39%	0.39	26%	0.264	S	S	.	.	H	α-helix	trans	-66.9	-39	178.1	-72.2	-24	0	0	0	111.5	R302 D303 I304 R309 K310	R302-D306 WeakPolarHBondContact CG-OD2 3.36Å; R302-D306 PolarHBondContact O-N 2.91Å; D303-D306 PolarHBondContact O-N 3.24Å; I304-D306 VanDerWaalsContact C-N 3.33Å; I304-D306 PolarHBondContact O-N 3.16Å; D306-R309 VanDerWaalsContact N-NH2 3.2Å; D306-R309 PolarHBondContact O-N 2.94Å; D306-R309 IonicContact OD1-CZ 3.93Å; D306-R309 IonicContact OD1-NE 2.7Å; D306-R309 PolarHBondContact OD1-NE 3.38Å; D306-R309 IonicContact OD1-NH2 3.1Å; D306-R309 PolarHBondContact OD1-NH2 3.31Å; D306-K310 WeakPolarHBondContact O-CB 3.48Å; D306-K310 PolarHBondContact O-N 2.87Å
307	F	95.8	Very high	94.2	Very high	67 Å²	67	51.6 Å²	51.6	29%	0.294	25%	0.249	S	C	.	.	H	α-helix	trans	-55.6	-51.8	172.3	169.9	-98.8	0	0	0	111.5	Y285 Y287 D303 I304 K310 L311	Y285-F307 AromaticContact CD1-CE1 3.92Å; Y285-F307 HydrophobicContact CD1-CE1 3.92Å; Y285-F307 AromaticContact CD1-CZ 3.88Å; Y285-F307 HydrophobicContact CD1-CZ 3.88Å; Y285-F307 AromaticContact CG-CE1 3.93Å; Y285-F307 HydrophobicContact CG-CE1 3.93Å; Y285-F307 HydrophobicContact CG-CZ 4.15Å; Y287-F307 HydrophobicContact CD2-CD2 4.33Å; Y287-F307 HydrophobicContact CD2-CG 4.2Å; Y287-F307 HydrophobicContact CE2-CB 4.22Å; Y287-F307 HydrophobicContact CE2-CG 4.36Å; D303-F307 WeakPolarHBondContact O-CB 3.26Å; D303-F307 PolarHBondContact O-N 3.44Å; I304-F307 WeakPolarHBondContact O-CB 3.36Å; I304-F307 PolarHBondContact O-N 3.17Å; F307-K310 PolarHBondContact O-N 3.1Å; F307-L311 HydrophobicContact CE1-CD2 4.47Å; F307-L311 WeakPolarHBondContact O-CB 3.26Å; F307-L311 PolarHBondContact O-N 3.1Å
308	F	97.2	Very high	94.8	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-69.9	-35.1	179.9	-73.1	-54.9	0	0	0	113.3	V271 V277 A281 Y285 I304 G305 L311 W312 A316	V271-F308 HydrophobicContact CG1-CB 4.37Å; V271-F308 HydrophobicContact CG1-CD2 4.15Å; V271-F308 HydrophobicContact CG2-CB 4.29Å; V277-F308 HydrophobicContact CG1-CE2 4.01Å; A281-F308 HydrophobicContact CB-CE2 4.18Å; A281-F308 HydrophobicContact CB-CZ 4.11Å; Y285-F308 AromaticContact CD2-CE1 3.94Å; Y285-F308 HydrophobicContact CD2-CE1 3.94Å; Y285-F308 HydrophobicContact CD2-CZ 4.07Å; Y285-F308 HydrophobicContact CE1-CE1 4.39Å; Y285-F308 AromaticContact CE2-CE1 3.78Å; Y285-F308 HydrophobicContact CE2-CE1 3.78Å; Y285-F308 HydrophobicContact CE2-CZ 4.14Å; Y285-F308 HydrophobicContact CG-CE1 4.33Å; I304-F308 HydrophobicContact CG2-CD2 3.74Å; I304-F308 HydrophobicContact CG2-CE2 3.57Å; I304-F308 VanDerWaalsContact O-CD2 3.29Å; I304-F308 WeakPolarHBondContact O-CD2 3.17Å; I304-F308 PolarHBondContact O-N 3.48Å; I304-F308 VanDerWaalsContact O-N 3.08Å; G305-F308 PolarHBondContact O-N 3.46Å; F308-L311 HydrophobicContact CD1-CD2 4.43Å; F308-L311 PolarHBondContact O-N 3.28Å; F308-W312 HydrophobicContact CB-CE3 3.86Å; F308-W312 HydrophobicContact CB-CZ3 3.75Å; F308-W312 AromaticContact CD1-CE3 3.84Å; F308-W312 HydrophobicContact CD1-CE3 3.84Å; F308-W312 AromaticContact CD1-CH2 3.25Å; F308-W312 HydrophobicContact CD1-CH2 3.25Å; F308-W312 HydrophobicContact CD1-CZ2 4.03Å; F308-W312 AromaticContact CD1-CZ3 3.15Å; F308-W312 HydrophobicContact CD1-CZ3 3.15Å; F308-W312 HydrophobicContact CD2-CZ3 4.49Å; F308-W312 AromaticContact CE1-CH2 3.43Å; F308-W312 HydrophobicContact CE1-CH2 3.43Å; F308-W312 VanDerWaalsContact CE1-CH2 3.43Å; F308-W312 HydrophobicContact CE1-CZ2 4.2Å; F308-W312 AromaticContact CE1-CZ3 3.8Å; F308-W312 HydrophobicContact CE1-CZ3 3.8Å; F308-W312 HydrophobicContact CG-CE3 4.17Å; F308-W312 HydrophobicContact CG-CH2 4.11Å; F308-W312 AromaticContact CG-CZ3 3.57Å; F308-W312 HydrophobicContact CG-CZ3 3.57Å; F308-W312 HydrophobicContact CZ-CH2 4.39Å; F308-W312 PolarHBondContact O-N 2.97Å; F308-A316 WeakPolarHBondContact O-CB 3.41Å
309	R	97.7	Very high	95.4	Very high	45 Å²	45	44 Å²	44	17%	0.17	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-41.8	171.4	-80.6	-175.3	-73.4	-79.4	1.9	112.3	E269 V271 G305 D306 L311 G313 A316	E269-R309 HydrophobicContact CB-CG 4.49Å; E269-R309 WeakPolarHBondContact O-CD 3.47Å; E269-R309 VanDerWaalsContact O-CG 3.31Å; E269-R309 WeakPolarHBondContact O-CG 3.28Å; E269-R309 PolarHBondContact O-NH1 3.3Å; V271-R309 HydrophobicContact CG2-CG 4.34Å; G305-R309 WeakPolarHBondContact O-CB 3.19Å; G305-R309 WeakPolarHBondContact O-CG 3.48Å; G305-R309 PolarHBondContact O-N 3.48Å; G305-R309 PolarHBondContact O-NH1 3.33Å; D306-R309 VanDerWaalsContact N-NH2 3.2Å; D306-R309 PolarHBondContact O-N 2.94Å; D306-R309 IonicContact OD1-CZ 3.93Å; D306-R309 IonicContact OD1-NE 2.7Å; D306-R309 PolarHBondContact OD1-NE 3.38Å; D306-R309 IonicContact OD1-NH2 3.1Å; D306-R309 PolarHBondContact OD1-NH2 3.31Å; R309-L311 VanDerWaalsContact C-N 3.29Å; R309-L311 PolarHBondContact O-N 3.3Å; R309-G313 VanDerWaalsContact O-CA 3.26Å; R309-G313 WeakPolarHBondContact O-CA 3.45Å; R309-G313 PolarHBondContact O-N 3.36Å; R309-A316 HydrophobicContact CB-CB 4.46Å; R309-A316 HydrophobicContact CG-CB 4.07Å
310	K	97.5	Very high	95.7	Very high	195 Å²	195	39.1 Å²	39.1	85%	0.848	19%	0.189	S	C	*	.	H	α-helix	trans	-66.1	-33.2	175.9	-173.6	177.1	178.9	-179.1	0	112	D306 F307	D306-K310 WeakPolarHBondContact O-CB 3.48Å; D306-K310 PolarHBondContact O-N 2.87Å; F307-K310 PolarHBondContact O-N 3.1Å
311	L	97.3	Very high	96.1	Very high	46 Å²	46	39.4 Å²	39.4	24%	0.241	19%	0.192	C	C	.	.	H	α-helix	trans	-76.6	-46.2	-179	-176	60.9	0	0	0	113.1	A123 D124 Y285 F307 F308 R309	A123-L311 WeakPolarHBondContact CB-O 3.5Å; D124-L311 HydrophobicContact CB-CD1 4.26Å; D124-L311 HydrophobicContact CB-CD2 4.1Å; D124-L311 HydrophobicContact CB-CG 4.29Å; Y285-L311 HydrophobicContact CD1-CD2 4.29Å; Y285-L311 HydrophobicContact CE1-CD2 3.76Å; F307-L311 HydrophobicContact CE1-CD2 4.47Å; F307-L311 WeakPolarHBondContact O-CB 3.26Å; F307-L311 PolarHBondContact O-N 3.1Å; F308-L311 HydrophobicContact CD1-CD2 4.43Å; F308-L311 PolarHBondContact O-N 3.28Å; R309-L311 VanDerWaalsContact C-N 3.29Å; R309-L311 PolarHBondContact O-N 3.3Å
312	W	98	Very high	96.5	Very high	12 Å²	12	38.9 Å²	38.9	5%	0.045	19%	0.189	C	C	.	.	H	α-helix	trans	-111.2	-2.4	-171	-63.9	-42.3	0	0	0	114.8	W120 D124 F127 Y285 F308 A316 A319 H320 L323	W120-W312 AromaticContact CD1-CD1 3.8Å; W120-W312 AromaticContact CD1-CG 3.92Å; W120-W312 HydrophobicContact CG-CB 4.49Å; W120-W312 HydrophobicContact CG-CG 4.34Å; W120-W312 PolarHBondContact NE1-O 3.38Å; D124-W312 WeakPolarHBondContact OD2-CZ2 3.35Å; D124-W312 PolarHBondContact OD2-NE1 2.92Å; F127-W312 HydrophobicContact CD2-CZ2 4.22Å; Y285-W312 WeakPolarHBondContact OH-CZ2 3.3Å; F308-W312 HydrophobicContact CB-CE3 3.86Å; F308-W312 HydrophobicContact CB-CZ3 3.75Å; F308-W312 AromaticContact CD1-CE3 3.84Å; F308-W312 HydrophobicContact CD1-CE3 3.84Å; F308-W312 AromaticContact CD1-CH2 3.25Å; F308-W312 HydrophobicContact CD1-CH2 3.25Å; F308-W312 HydrophobicContact CD1-CZ2 4.03Å; F308-W312 AromaticContact CD1-CZ3 3.15Å; F308-W312 HydrophobicContact CD1-CZ3 3.15Å; F308-W312 HydrophobicContact CD2-CZ3 4.49Å; F308-W312 AromaticContact CE1-CH2 3.43Å; F308-W312 HydrophobicContact CE1-CH2 3.43Å; F308-W312 VanDerWaalsContact CE1-CH2 3.43Å; F308-W312 HydrophobicContact CE1-CZ2 4.2Å; F308-W312 AromaticContact CE1-CZ3 3.8Å; F308-W312 HydrophobicContact CE1-CZ3 3.8Å; F308-W312 HydrophobicContact CG-CE3 4.17Å; F308-W312 HydrophobicContact CG-CH2 4.11Å; F308-W312 AromaticContact CG-CZ3 3.57Å; F308-W312 HydrophobicContact CG-CZ3 3.57Å; F308-W312 HydrophobicContact CZ-CH2 4.39Å; F308-W312 PolarHBondContact O-N 2.97Å; W312-A316 HydrophobicContact CB-CB 3.96Å; W312-A316 HydrophobicContact CE3-CB 4.34Å; W312-A319 HydrophobicContact CB-CB 3.98Å; W312-A319 HydrophobicContact CD2-CB 3.39Å; W312-A319 HydrophobicContact CE3-CB 3.51Å; W312-A319 HydrophobicContact CG-CB 3.62Å; W312-A319 HydrophobicContact CZ3-CB 4.14Å; W312-H320 HydrophobicContact CZ3-CB 3.96Å; W312-L323 HydrophobicContact CH2-CD1 3.43Å; W312-L323 VanDerWaalsContact CH2-CD1 3.43Å; W312-L323 HydrophobicContact CH2-CG 4.22Å; W312-L323 HydrophobicContact CZ2-CD1 3.72Å; W312-L323 HydrophobicContact CZ2-CG 4.46Å
313	G	97.2	Very high	96.7	Very high	28 Å²	28	33.7 Å²	33.7	29%	0.289	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	72.5	-148.8	174.2	0	0	0	0	0	114.1	R309 Y315 A316	R309-G313 VanDerWaalsContact O-CA 3.26Å; R309-G313 WeakPolarHBondContact O-CA 3.45Å; R309-G313 PolarHBondContact O-N 3.36Å; G313-Y315 PolarHBondContact O-N 3.31Å; G313-Y315 VanDerWaalsContact O-N 3.12Å; G313-A316 WeakPolarHBondContact O-CB 3.41Å; G313-A316 PolarHBondContact O-N 2.87Å; G313-A316 VanDerWaalsContact O-N 3.1Å
314	P	97.5	Very high	96.8	Very high	100 Å²	100	33.7 Å²	33.7	65%	0.649	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-61.9	-21.5	-170.7	-25.4	35	0	0	0	115.6	C268 E269	C268-P314 CarbonylContact C-O 3.54Å; C268-P314 WeakPolarHBondContact CB-O 3.01Å; E269-P314 WeakPolarHBondContact CA-O 3.46Å; E269-P314 PolarHBondContact N-O 2.81Å; E269-P314 VanDerWaalsContact N-O 3.07Å
315	Y	98.4	Very high	96.9	Very high	77 Å²	77	33.7 Å²	33.7	30%	0.302	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-107.3	26.7	177.8	-71.7	-98.4	0	0	0	113	V111 L116 W120 C268 G313 G317 W318 A319	V111-Y315 HydrophobicContact CG1-CE1 4.27Å; L116-Y315 HydrophobicContact CD1-CD1 3.95Å; L116-Y315 HydrophobicContact CD1-CE1 4.38Å; L116-Y315 HydrophobicContact CD1-CG 4.14Å; L116-Y315 HydrophobicContact CD2-CD2 3.87Å; L116-Y315 HydrophobicContact CD2-CE2 4.38Å; L116-Y315 HydrophobicContact CD2-CG 3.96Å; W120-Y315 WeakPolarHBondContact CZ2-O 3.3Å; C268-Y315 HydrophobicContact CB-CD1 3.6Å; C268-Y315 HydrophobicContact CB-CE1 3.92Å; C268-Y315 HydrophobicContact CB-CG 4.06Å; C268-Y315 CarbonylContact O-C 3.55Å; C268-Y315 VanDerWaalsContact SG-CE1 3.57Å; G313-Y315 PolarHBondContact O-N 3.31Å; G313-Y315 VanDerWaalsContact O-N 3.12Å; Y315-G317 PolarHBondContact O-N 3.1Å; Y315-G317 VanDerWaalsContact O-N 3.15Å; Y315-W318 AromaticContact CD1-CD2 3.92Å; Y315-W318 HydrophobicContact CD1-CD2 3.92Å; Y315-W318 AromaticContact CD1-CE2 3.87Å; Y315-W318 HydrophobicContact CD1-CE3 4.48Å; Y315-W318 HydrophobicContact CD1-CG 4.03Å; Y315-W318 HydrophobicContact CD1-CZ2 4.39Å; Y315-W318 AromaticContact CD1-NE1 3.93Å; Y315-W318 HydrophobicContact CE1-CD2 4.49Å; Y315-W318 HydrophobicContact CE1-CZ2 4.17Å; Y315-W318 WeakPolarHBondContact O-CB 3.42Å; Y315-W318 PolarHBondContact O-N 3.02Å; Y315-A319 PolarHBondContact O-N 2.82Å
316	A	98.4	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-56.1	-32.5	-178.6	0	0	0	0	0	114.3	V271 F308 R309 W312 G313 W318 A319 H320	V271-A316 HydrophobicContact CG2-CB 4Å; F308-A316 WeakPolarHBondContact O-CB 3.41Å; R309-A316 HydrophobicContact CB-CB 4.46Å; R309-A316 HydrophobicContact CG-CB 4.07Å; W312-A316 HydrophobicContact CB-CB 3.96Å; W312-A316 HydrophobicContact CE3-CB 4.34Å; G313-A316 WeakPolarHBondContact O-CB 3.41Å; G313-A316 PolarHBondContact O-N 2.87Å; G313-A316 VanDerWaalsContact O-N 3.1Å; A316-W318 VanDerWaalsContact C-N 3.3Å; A316-W318 PolarHBondContact O-N 3.01Å; A316-A319 PolarHBondContact O-N 3.46Å; A316-H320 VanDerWaalsContact O-CB 3.24Å; A316-H320 WeakPolarHBondContact O-CB 3.4Å; A316-H320 PolarHBondContact O-N 3.02Å
317	G	98.1	Very high	96.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.7	-34.6	175.2	0	0	0	0	0	113.3	C268 A270 Y315 S321	C268-G317 WeakPolarHBondContact O-CA 3.31Å; C268-G317 PolarHBondContact O-N 3.06Å; A270-G317 WeakPolarHBondContact O-CA 3.16Å; Y315-G317 PolarHBondContact O-N 3.1Å; Y315-G317 VanDerWaalsContact O-N 3.15Å; G317-S321 PolarHBondContact O-N 3.49Å; G317-S321 VanDerWaalsContact O-N 3.17Å; G317-S321 PolarHBondContact O-OG 3.22Å
318	W	98.6	Very high	96.4	Very high	5 Å²	5	28.9 Å²	28.9	2%	0.019	15%	0.146	C	C	.	.	H	α-helix	trans	-72.5	-45.8	176.9	-69.6	44.1	0	0	0	111.3	Q108 V111 L113 L116 W120 R138 M139 C268 Y315 A316 H320 S321 V322	Q108-W318 HydrophobicContact CB-CH2 3.9Å; Q108-W318 HydrophobicContact CB-CZ2 4.41Å; Q108-W318 VanDerWaalsContact NE2-CZ2 3.35Å; V111-W318 HydrophobicContact CB-CH2 3.9Å; V111-W318 HydrophobicContact CB-CZ3 4.15Å; V111-W318 HydrophobicContact CG1-CH2 3.98Å; V111-W318 HydrophobicContact CG1-CZ3 3.9Å; V111-W318 HydrophobicContact CG2-CH2 3.86Å; V111-W318 HydrophobicContact CG2-CZ2 4.49Å; L113-W318 HydrophobicContact CD1-CE3 4.06Å; L113-W318 HydrophobicContact CD1-CZ3 4.32Å; L116-W318 HydrophobicContact CD1-CE3 4Å; L116-W318 HydrophobicContact CD1-CZ3 4.34Å; W120-W318 HydrophobicContact CH2-CB 3.53Å; W120-W318 HydrophobicContact CZ2-CB 3.85Å; R138-W318 HydrophobicContact CG-CZ3 4.19Å; M139-W318 HydrophobicContact CB-CD2 3.51Å; M139-W318 HydrophobicContact CB-CE3 4.03Å; M139-W318 HydrophobicContact CB-CG 3.88Å; M139-W318 HydrophobicContact CB-CH2 4.28Å; M139-W318 HydrophobicContact CB-CZ2 3.82Å; M139-W318 HydrophobicContact CB-CZ3 4.38Å; M139-W318 HydrophobicContact CG-CD2 4.44Å; M139-W318 HydrophobicContact CG-CZ2 4.47Å; C268-W318 PolarHBondContact SG-NE1 3.15Å; Y315-W318 AromaticContact CD1-CD2 3.92Å; Y315-W318 HydrophobicContact CD1-CD2 3.92Å; Y315-W318 AromaticContact CD1-CE2 3.87Å; Y315-W318 HydrophobicContact CD1-CE3 4.48Å; Y315-W318 HydrophobicContact CD1-CG 4.03Å; Y315-W318 HydrophobicContact CD1-CZ2 4.39Å; Y315-W318 AromaticContact CD1-NE1 3.93Å; Y315-W318 HydrophobicContact CE1-CD2 4.49Å; Y315-W318 HydrophobicContact CE1-CZ2 4.17Å; Y315-W318 WeakPolarHBondContact O-CB 3.42Å; Y315-W318 PolarHBondContact O-N 3.02Å; A316-W318 VanDerWaalsContact C-N 3.3Å; A316-W318 PolarHBondContact O-N 3.01Å; W318-H320 VanDerWaalsContact C-N 3.32Å; W318-H320 PolarHBondContact O-N 2.96Å; W318-S321 WeakPolarHBondContact O-CB 3.24Å; W318-S321 PolarHBondContact O-N 3.31Å; W318-S321 VanDerWaalsContact O-N 3.11Å; W318-V322 PolarHBondContact O-N 3Å
319	A	98.1	Very high	96	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.5	-47	175.4	0	0	0	0	0	111.4	W120 F127 W312 Y315 A316 S321 V322 L323	W120-A319 HydrophobicContact CD2-CB 3.56Å; W120-A319 HydrophobicContact CE3-CB 3.95Å; W120-A319 HydrophobicContact CG-CB 3.89Å; W120-A319 HydrophobicContact CH2-CB 4.31Å; W120-A319 HydrophobicContact CZ2-CB 3.97Å; W120-A319 HydrophobicContact CZ3-CB 4.3Å; F127-A319 HydrophobicContact CD2-CB 4.46Å; F127-A319 HydrophobicContact CE2-CB 4.04Å; W312-A319 HydrophobicContact CB-CB 3.98Å; W312-A319 HydrophobicContact CD2-CB 3.39Å; W312-A319 HydrophobicContact CE3-CB 3.51Å; W312-A319 HydrophobicContact CG-CB 3.62Å; W312-A319 HydrophobicContact CZ3-CB 4.14Å; Y315-A319 PolarHBondContact O-N 2.82Å; A316-A319 PolarHBondContact O-N 3.46Å; A319-S321 VanDerWaalsContact C-N 3.27Å; A319-S321 PolarHBondContact O-N 2.75Å; A319-V322 WeakPolarHBondContact O-CB 3.34Å; A319-V322 PolarHBondContact O-N 3.44Å; A319-V322 VanDerWaalsContact O-N 3.09Å; A319-L323 PolarHBondContact O-N 3Å
320	H	95.1	Very high	95.5	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.037	20%	0.197	C	C	.	.	H	α-helix	trans	-53.6	-43.6	174.7	160.9	-95.3	0	0	0	112	V271 V277 W312 A316 W318 V322 L323 F324	V271-H320 HydrophobicContact CG1-CB 4.21Å; V277-H320 WeakPolarHBondContact CG2-NE2 3.47Å; W312-H320 HydrophobicContact CZ3-CB 3.96Å; A316-H320 VanDerWaalsContact O-CB 3.24Å; A316-H320 WeakPolarHBondContact O-CB 3.4Å; A316-H320 PolarHBondContact O-N 3.02Å; W318-H320 VanDerWaalsContact C-N 3.32Å; W318-H320 PolarHBondContact O-N 2.96Å; H320-V322 VanDerWaalsContact C-N 3.25Å; H320-V322 PolarHBondContact O-N 2.87Å; H320-L323 PolarHBondContact O-N 3.22Å; H320-L323 VanDerWaalsContact O-N 3.09Å; H320-F324 PolarHBondContact O-N 3.47Å
321	S	96.3	Very high	95.2	Very high	8 Å²	8	31.1 Å²	31.1	6%	0.056	16%	0.157	C	C	.	.	H	α-helix	trans	-63.8	-28.1	-179.9	-76	0	0	0	0	113.9	M139 G317 W318 A319 C325	M139-S321 WeakPolarHBondContact CE-OG 3.35Å; G317-S321 PolarHBondContact O-N 3.49Å; G317-S321 VanDerWaalsContact O-N 3.17Å; G317-S321 PolarHBondContact O-OG 3.22Å; W318-S321 WeakPolarHBondContact O-CB 3.24Å; W318-S321 PolarHBondContact O-N 3.31Å; W318-S321 VanDerWaalsContact O-N 3.11Å; A319-S321 VanDerWaalsContact C-N 3.27Å; A319-S321 PolarHBondContact O-N 2.75Å; S321-C325 VanDerWaalsContact O-CB 3.25Å; S321-C325 WeakPolarHBondContact O-CB 3.46Å; S321-C325 PolarHBondContact O-N 3.43Å
322	V	97.4	Very high	94.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-47.1	171.6	-171.5	0	0	0	0	110.5	Y117 F127 I130 F134 V137 W318 A319 H320 C325 A326	Y117-V322 HydrophobicContact CE2-CG2 4.04Å; Y117-V322 WeakPolarHBondContact OH-CG2 3.29Å; F127-V322 HydrophobicContact CE2-CB 3.78Å; F127-V322 HydrophobicContact CE2-CG1 4.17Å; F127-V322 HydrophobicContact CE2-CG2 3.92Å; F127-V322 HydrophobicContact CZ-CB 4.16Å; F127-V322 HydrophobicContact CZ-CG1 4.26Å; F127-V322 HydrophobicContact CZ-CG2 3.97Å; I130-V322 HydrophobicContact CG2-CG1 4.49Å; F134-V322 HydrophobicContact CB-CG1 3.98Å; V137-V322 HydrophobicContact CB-CG1 4.48Å; V137-V322 HydrophobicContact CB-CG2 4.18Å; V137-V322 HydrophobicContact CG2-CG1 4.36Å; W318-V322 PolarHBondContact O-N 3Å; A319-V322 WeakPolarHBondContact O-CB 3.34Å; A319-V322 PolarHBondContact O-N 3.44Å; A319-V322 VanDerWaalsContact O-N 3.09Å; H320-V322 VanDerWaalsContact C-N 3.25Å; H320-V322 PolarHBondContact O-N 2.87Å; V322-C325 PolarHBondContact O-N 3.38Å; V322-A326 WeakPolarHBondContact O-CB 3.34Å; V322-A326 PolarHBondContact O-N 3.31Å
323	L	95.8	Very high	94.1	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.037	18%	0.176	C	C	.	.	H	α-helix	trans	-66.9	-41	179	-59	-168.6	0	0	0	111.9	F127 I130 I280 Y285 W312 A319 H320 A326 D327	F127-L323 HydrophobicContact CD2-CD2 3.92Å; F127-L323 HydrophobicContact CD2-CG 4.27Å; I130-L323 HydrophobicContact CB-CD2 4.11Å; I130-L323 HydrophobicContact CG1-CD2 4.14Å; I130-L323 HydrophobicContact CG2-CD2 4.01Å; I280-L323 HydrophobicContact CD1-CB 4.34Å; I280-L323 HydrophobicContact CG2-CD1 4.06Å; Y285-L323 HydrophobicContact CE2-CD1 3.94Å; Y285-L323 WeakPolarHBondContact OH-CD1 3.24Å; W312-L323 HydrophobicContact CH2-CD1 3.43Å; W312-L323 VanDerWaalsContact CH2-CD1 3.43Å; W312-L323 HydrophobicContact CH2-CG 4.22Å; W312-L323 HydrophobicContact CZ2-CD1 3.72Å; W312-L323 HydrophobicContact CZ2-CG 4.46Å; A319-L323 PolarHBondContact O-N 3Å; H320-L323 PolarHBondContact O-N 3.22Å; H320-L323 VanDerWaalsContact O-N 3.09Å; L323-A326 PolarHBondContact O-N 3.38Å; L323-D327 PolarHBondContact O-N 2.95Å
324	F	94.6	Very high	93.5	Very high	36 Å²	36	35.6 Å²	35.6	16%	0.158	17%	0.17	C	C	.	.	H	α-helix	trans	-58.1	-49.4	174.4	-178.4	-92.7	0	0	0	110.8	C32 H276 V277 H320 A326 D327 L328	C32-F324 WeakPolarHBondContact O-CE1 3.19Å; H276-F324 HydrophobicContact CB-CD2 4.17Å; H276-F324 HydrophobicContact CB-CE2 3.93Å; V277-F324 HydrophobicContact CG2-CD2 4.41Å; H320-F324 PolarHBondContact O-N 3.47Å; F324-A326 VanDerWaalsContact C-N 3.27Å; F324-A326 PolarHBondContact O-N 3.26Å; F324-D327 PolarHBondContact O-N 3.32Å; F324-L328 HydrophobicContact CD1-CG 4.49Å; F324-L328 HydrophobicContact CE1-CD1 4.2Å; F324-L328 HydrophobicContact CE1-CD2 3.87Å; F324-L328 HydrophobicContact CE1-CG 4.22Å; F324-L328 HydrophobicContact CZ-CD2 4.03Å; F324-L328 PolarHBondContact O-N 3.5Å
325	C	94.9	Very high	92.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-56.3	-42.5	175.6	-175.5	0	0	0	0	111.5	L28 C32 V137 S321 V322 D327 L328 F331	L28-C325 PolarHBondContact O-SG 2.89Å; C32-C325 HydrophobicContact CB-CB 3.95Å; V137-C325 HydrophobicContact CG1-CB 4Å; V137-C325 HydrophobicContact CG2-CB 4.41Å; S321-C325 VanDerWaalsContact O-CB 3.25Å; S321-C325 WeakPolarHBondContact O-CB 3.46Å; S321-C325 PolarHBondContact O-N 3.43Å; V322-C325 PolarHBondContact O-N 3.38Å; C325-D327 VanDerWaalsContact C-N 3.29Å; C325-D327 PolarHBondContact O-N 2.93Å; C325-L328 WeakPolarHBondContact O-CB 3.35Å; C325-L328 PolarHBondContact O-N 3.45Å; C325-F331 WeakPolarHBondContact O-CD2 3.49Å
326	A	94	Very high	92	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-68.3	-21.4	178.1	0	0	0	0	0	114.8	I130 F134 V322 L323 F324 K335	I130-A326 HydrophobicContact CG2-CB 3.55Å; F134-A326 HydrophobicContact CD1-CB 4.04Å; F134-A326 HydrophobicContact CD2-CB 3.63Å; F134-A326 HydrophobicContact CE1-CB 4.03Å; F134-A326 HydrophobicContact CE2-CB 3.64Å; F134-A326 HydrophobicContact CG-CB 3.86Å; F134-A326 HydrophobicContact CZ-CB 3.85Å; V322-A326 WeakPolarHBondContact O-CB 3.34Å; V322-A326 PolarHBondContact O-N 3.31Å; L323-A326 PolarHBondContact O-N 3.38Å; F324-A326 VanDerWaalsContact C-N 3.27Å; F324-A326 PolarHBondContact O-N 3.26Å; A326-K335 VanDerWaalsContact O-CE 3.26Å; A326-K335 WeakPolarHBondContact O-CE 3.3Å; A326-K335 PolarHBondContact O-NZ 3.34Å
327	D	92.2	Very high	90.9	Very high	21 Å²	21	41 Å²	41	11%	0.112	19%	0.189	C	C	.	.	H	α-helix	trans	-86.3	-19	177.8	-162.7	70	0	0	0	112.7	H276 I280 R283 L323 F324 C325 K329	H276-D327 IonicContact ND1-OD2 3.95Å; H276-D327 PolarHBondContact ND1-OD2 3.1Å; H276-D327 VanDerWaalsContact ND1-OD2 3.1Å; I280-D327 HydrophobicContact CD1-CB 3.92Å; I280-D327 HydrophobicContact CG1-CB 4.31Å; R283-D327 IonicContact CZ-OD1 2.77Å; R283-D327 IonicContact NH1-OD1 2.99Å; R283-D327 PolarHBondContact NH1-OD1 3.28Å; R283-D327 IonicContact NH2-OD1 2.77Å; R283-D327 PolarHBondContact NH2-OD1 2.64Å; L323-D327 PolarHBondContact O-N 2.95Å; F324-D327 PolarHBondContact O-N 3.32Å; C325-D327 VanDerWaalsContact C-N 3.29Å; C325-D327 PolarHBondContact O-N 2.93Å; D327-K329 PolarHBondContact O-N 2.77Å
328	L	90.8	Very high	89.7	Confident	16 Å²	16	44 Å²	44	8%	0.084	20%	0.203	C	C	.	.	S	Bend	trans	-61.7	128.8	178.6	-65.8	178.3	0	0	0	111.6	C32 I159 F324 C325 K330 F331 Q332	C32-L328 HydrophobicContact CB-CD1 3.89Å; I159-L328 HydrophobicContact CD1-CD1 4.2Å; I159-L328 HydrophobicContact CD1-CD2 4.02Å; F324-L328 HydrophobicContact CD1-CG 4.49Å; F324-L328 HydrophobicContact CE1-CD1 4.2Å; F324-L328 HydrophobicContact CE1-CD2 3.87Å; F324-L328 HydrophobicContact CE1-CG 4.22Å; F324-L328 HydrophobicContact CZ-CD2 4.03Å; F324-L328 PolarHBondContact O-N 3.5Å; C325-L328 WeakPolarHBondContact O-CB 3.35Å; C325-L328 PolarHBondContact O-N 3.45Å; L328-K330 PolarHBondContact O-N 3.41Å; L328-F331 HydrophobicContact CB-CD2 4.15Å; L328-F331 HydrophobicContact CD1-CD2 4.31Å; L328-F331 HydrophobicContact CD1-CE2 4.17Å; L328-F331 PolarHBondContact O-N 3.2Å; L328-Q332 PolarHBondContact O-N 3.12Å
329	K	87.7	Confident	88.2	Confident	183 Å²	183	47.4 Å²	47.4	80%	0.796	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-49	-36.7	177.1	-68.9	-174	178.3	-177.3	0	113.3	D327 F331 Q332	D327-K329 PolarHBondContact O-N 2.77Å; K329-F331 PolarHBondContact O-N 3.32Å; K329-Q332 PolarHBondContact O-N 3.33Å
330	K	87.8	Confident	86.4	Confident	105 Å²	105	54.3 Å²	54.3	46%	0.457	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-53.6	-36.5	178.7	-175.3	174.8	178.5	178	0	112.4	A31 L328 H333	A31-K330 HydrophobicContact CB-CD 4.41Å; L328-K330 PolarHBondContact O-N 3.41Å; K330-H333 PolarHBondContact O-CE1 3.34Å; K330-H333 VanDerWaalsContact O-CE1 3.3Å; K330-H333 PolarHBondContact O-ND1 3.02Å
331	F	90.4	Very high	84.6	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-108.3	7	-172	-55.1	-56.4	0	0	0	114.2	E27 L28 A31 C32 F134 C325 L328 K329 H333 L334	E27-F331 HydrophobicContact CG-CE1 4.02Å; L28-F331 HydrophobicContact CD2-CD1 3.7Å; L28-F331 HydrophobicContact CD2-CD2 4.25Å; L28-F331 HydrophobicContact CD2-CE1 3.74Å; L28-F331 HydrophobicContact CD2-CE2 4.28Å; L28-F331 HydrophobicContact CD2-CG 3.96Å; L28-F331 HydrophobicContact CD2-CZ 4.02Å; A31-F331 HydrophobicContact CB-CZ 4.15Å; C32-F331 HydrophobicContact CB-CE2 4.39Å; F134-F331 HydrophobicContact CE1-CB 3.63Å; F134-F331 HydrophobicContact CE1-CG 4.36Å; F134-F331 HydrophobicContact CZ-CB 4Å; C325-F331 WeakPolarHBondContact O-CD2 3.49Å; L328-F331 HydrophobicContact CB-CD2 4.15Å; L328-F331 HydrophobicContact CD1-CD2 4.31Å; L328-F331 HydrophobicContact CD1-CE2 4.17Å; L328-F331 PolarHBondContact O-N 3.2Å; K329-F331 PolarHBondContact O-N 3.32Å; F331-H333 PolarHBondContact O-N 3.03Å; F331-L334 HydrophobicContact CB-CD1 4.28Å; F331-L334 HydrophobicContact CD1-CD1 4.46Å; F331-L334 WeakPolarHBondContact O-CB 3.34Å; F331-L334 PolarHBondContact O-N 3Å; F331-L334 VanDerWaalsContact O-N 3.14Å
332	Q	86.2	Confident	82	Confident	84 Å²	84	68.1 Å²	68.1	39%	0.393	32%	0.324	S	S	.	.	H	α-helix	trans	-61.1	-32.3	179.4	-73.1	-179.6	-13.6	0	0	112.6	L328 K329 L334 K335 E336	L328-Q332 PolarHBondContact O-N 3.12Å; K329-Q332 PolarHBondContact O-N 3.33Å; Q332-L334 PolarHBondContact O-N 3.35Å; Q332-L334 VanDerWaalsContact O-N 3.16Å; Q332-K335 WeakPolarHBondContact O-CB 3.46Å; Q332-K335 PolarHBondContact O-N 3.28Å; Q332-E336 PolarHBondContact O-N 3.19Å
333	H	86.6	Confident	79.3	Confident	67 Å²	67	73.5 Å²	73.5	31%	0.31	36%	0.359	S	S	.	.	H	α-helix	trans	-57.6	-28.8	176.4	71.7	-88.6	0	0	0	113.7	K330 F331 K335 E336 M337	K330-H333 PolarHBondContact O-CE1 3.34Å; K330-H333 VanDerWaalsContact O-CE1 3.3Å; K330-H333 PolarHBondContact O-ND1 3.02Å; F331-H333 PolarHBondContact O-N 3.03Å; H333-K335 VanDerWaalsContact C-N 3.27Å; H333-K335 PolarHBondContact O-N 2.98Å; H333-E336 PolarHBondContact O-N 3.49Å; H333-M337 WeakPolarHBondContact O-CG 3.32Å; H333-M337 PolarHBondContact O-N 2.99Å
334	L	85.3	Confident	76.6	Confident	29 Å²	29	81.5 Å²	81.5	15%	0.152	40%	0.396	C	S	.	.	H	α-helix	trans	-67.1	-30.3	177.5	-63.8	178.1	0	0	0	112.1	L28 I133 F134 F331 Q332 K338	L28-L334 HydrophobicContact CD2-CD1 3.91Å; I133-L334 HydrophobicContact CG2-CB 3.86Å; F134-L334 HydrophobicContact CE1-CD1 4.11Å; F134-L334 HydrophobicContact CZ-CB 4.25Å; F134-L334 HydrophobicContact CZ-CD1 4.32Å; F331-L334 HydrophobicContact CB-CD1 4.28Å; F331-L334 HydrophobicContact CD1-CD1 4.46Å; F331-L334 WeakPolarHBondContact O-CB 3.34Å; F331-L334 PolarHBondContact O-N 3Å; F331-L334 VanDerWaalsContact O-N 3.14Å; Q332-L334 PolarHBondContact O-N 3.35Å; Q332-L334 VanDerWaalsContact O-N 3.16Å; L334-K338 PolarHBondContact O-N 2.99Å
335	K	82.8	Confident	73.6	Confident	64 Å²	64	87.1 Å²	87.1	28%	0.278	43%	0.428	S	S	.	.	H	α-helix	trans	-71.2	-39.8	175.1	-64.7	177.4	170.3	172.5	0	110.8	I133 F134 A326 Q332 H333 K338 S339	I133-K335 HydrophobicContact CD1-CG 4.32Å; F134-K335 HydrophobicContact CE2-CD 4.42Å; F134-K335 HydrophobicContact CE2-CG 3.88Å; F134-K335 HydrophobicContact CZ-CG 4.38Å; A326-K335 VanDerWaalsContact O-CE 3.26Å; A326-K335 WeakPolarHBondContact O-CE 3.3Å; A326-K335 PolarHBondContact O-NZ 3.34Å; Q332-K335 WeakPolarHBondContact O-CB 3.46Å; Q332-K335 PolarHBondContact O-N 3.28Å; H333-K335 VanDerWaalsContact C-N 3.27Å; H333-K335 PolarHBondContact O-N 2.98Å; K335-K338 PolarHBondContact O-N 3.01Å; K335-S339 PolarHBondContact O-N 3.31Å
336	E	81	Confident	70.7	Confident	120 Å²	120	95.6 Å²	95.6	56%	0.561	47%	0.468	S	S	*	.	H	α-helix	trans	-68.3	-41.8	178.8	-63	170.6	-177.5	0	0	112.1	Q332 H333 K338 S339 L340	Q332-E336 PolarHBondContact O-N 3.19Å; H333-E336 PolarHBondContact O-N 3.49Å; E336-K338 VanDerWaalsContact C-N 3.26Å; E336-K338 PolarHBondContact O-N 3.1Å; E336-S339 PolarHBondContact O-N 2.71Å; E336-S339 PolarHBondContact O-OG 2.86Å; E336-L340 WeakPolarHBondContact O-CG 3.37Å; E336-L340 PolarHBondContact O-N 3.27Å
337	M	74.4	Confident	67.9	Low	106 Å²	106	104.2 Å²	104.2	52%	0.522	51%	0.508	S	S	.	.	H	α-helix	trans	-63.3	-30.9	177.3	-72.4	-178.5	-165.8	0	0	113.1	H333 K341	H333-M337 WeakPolarHBondContact O-CG 3.32Å; H333-M337 PolarHBondContact O-N 2.99Å; M337-K341 WeakPolarHBondContact O-CG 3.38Å; M337-K341 PolarHBondContact O-N 3.32Å
338	K	73.2	Confident	65.1	Low	64 Å²	64	112.1 Å²	112.1	28%	0.278	54%	0.544	S	S	.	.	H	α-helix	trans	-75.8	-36.6	176.6	-171.5	174.3	175.3	-177.8	0	112.1	D132 I133 L334 K335 E336 L340 K341 Q342	D132-K338 IonicContact OD2-NZ 2.93Å; I133-K338 HydrophobicContact CD1-CB 4.49Å; I133-K338 HydrophobicContact CD1-CD 3.8Å; I133-K338 HydrophobicContact CG1-CB 4.33Å; I133-K338 HydrophobicContact CG1-CD 3.26Å; I133-K338 HydrophobicContact CG1-CG 4.41Å; L334-K338 PolarHBondContact O-N 2.99Å; K335-K338 PolarHBondContact O-N 3.01Å; E336-K338 VanDerWaalsContact C-N 3.26Å; E336-K338 PolarHBondContact O-N 3.1Å; K338-L340 VanDerWaalsContact C-N 3.27Å; K338-L340 PolarHBondContact O-N 2.97Å; K338-K341 PolarHBondContact O-N 3.09Å; K338-K341 VanDerWaalsContact O-N 3.15Å; K338-Q342 PolarHBondContact O-N 2.69Å
339	S	67.8	Low	62.1	Low	76 Å²	76	123.4 Å²	123.4	53%	0.531	59%	0.586	S	S	.	*	H	α-helix	trans	-65.1	-33.3	176.7	68.8	0	0	0	0	112	K335 E336 K341	K335-S339 PolarHBondContact O-N 3.31Å; E336-S339 PolarHBondContact O-N 2.71Å; E336-S339 PolarHBondContact O-OG 2.86Å; S339-K341 VanDerWaalsContact C-N 3.31Å; S339-K341 PolarHBondContact O-N 3.04Å
340	L	60.9	Low	59.2	Low	146 Å²	146	124.4 Å²	124.4	76%	0.764	59%	0.593	S	S	*	*	H	α-helix	trans	-70.9	-22	174.2	-69.8	166.5	0	0	0	114	E336 K338	E336-L340 WeakPolarHBondContact O-CG 3.37Å; E336-L340 PolarHBondContact O-N 3.27Å; K338-L340 VanDerWaalsContact C-N 3.27Å; K338-L340 PolarHBondContact O-N 2.97Å
341	K	56.9	Low	56.3	Low	179 Å²	179	123 Å²	123	78%	0.778	61%	0.608	S	S	*	*	H	α-helix	trans	-94.3	-5.3	-179.8	-73.7	-177.7	180	-175.9	0	113.8	M337 K338 S339	M337-K341 WeakPolarHBondContact O-CG 3.38Å; M337-K341 PolarHBondContact O-N 3.32Å; K338-K341 PolarHBondContact O-N 3.09Å; K338-K341 VanDerWaalsContact O-N 3.15Å; S339-K341 VanDerWaalsContact C-N 3.31Å; S339-K341 PolarHBondContact O-N 3.04Å
342	Q	42.3	Very low	53.2	Low	126 Å²	126	132.5 Å²	132.5	59%	0.589	65%	0.653	S	S	*	*	S	Bend	trans	-80.2	128.4	170	-73.5	-176.9	-22	0	0	108.8	K338 Q344	K338-Q342 PolarHBondContact O-N 2.69Å; Q342-Q344 PolarHBondContact O-N 2.96Å
343	P	40.4	Very low	50.2	Low	114 Å²	114	134.5 Å²	134.5	74%	0.74	67%	0.674	S	S	*	*			trans	-60.6	124.6	172.1	24.3	-29.2	0	0	0	107.8	N345	P343-N345 PolarHBondContact O-N 2.72Å; P343-N345 VanDerWaalsContact O-N 3.08Å
344	Q	38.7	Very low	47.5	Very low	174 Å²	174	141.6 Å²	141.6	81%	0.813	70%	0.704	S	S	*	*			trans	-60.9	112.9	166.9	-70.4	178.6	-21.5	0	0	106.3	Q342 E346	Q342-Q344 PolarHBondContact O-N 2.96Å; Q344-E346 VanDerWaalsContact C-N 3.25Å; Q344-E346 PolarHBondContact O-N 3.18Å
345	N	30.9	Very low	44.8	Very low	155 Å²	155	144 Å²	144	83%	0.829	74%	0.736	S	S	*	*			trans	-63.8	97.6	160.3	-82.4	-3.2	0	0	0	106.2	P343 E347	P343-N345 PolarHBondContact O-N 2.72Å; P343-N345 VanDerWaalsContact O-N 3.08Å; N345-E347 VanDerWaalsContact C-N 3.29Å; N345-E347 PolarHBondContact O-N 3.31Å; N345-E347 VanDerWaalsContact O-N 3.11Å
346	E	34.8	Very low	42	Very low	178 Å²	178	148.4 Å²	148.4	83%	0.832	76%	0.762	S	S	*	*			trans	-71.5	88.5	162.6	-75.3	-175.1	160	0	0	107.9	Q344	Q344-E346 VanDerWaalsContact C-N 3.25Å; Q344-E346 PolarHBondContact O-N 3.18Å
347	E	33.9	Very low	39.3	Very low	182 Å²	182	152.9 Å²	152.9	85%	0.85	78%	0.779	S	S	*	*			trans	-134.7	133.8	153.3	-90.6	-177.7	167.8	0	0	108.9	N345	N345-E347 VanDerWaalsContact C-N 3.29Å; N345-E347 PolarHBondContact O-N 3.31Å; N345-E347 VanDerWaalsContact O-N 3.11Å
348	E	34.6	Very low	37	Very low	187 Å²	187	152.7 Å²	152.7	87%	0.874	78%	0.784	S	S	*	*			trans	82.1	76.4	176.3	-56.8	-172.4	171.1	0	0	118.4
349	R	27.5	Very low	34.7	Very low	253 Å²	253	159.3 Å²	159.3	96%	0.955	81%	0.813	S	S	*	*			trans	-143	83.9	133.6	-73.4	-163.5	-174.9	-178.6	1.5	111.3
350	E	27.2	Very low	32.6	Very low	204 Å²	204	165.9 Å²	165.9	95%	0.953	83%	0.826	S	S	*	*			trans	-112.1	130.8	151.7	-78.2	-167.1	156.5	0	0	108.7
351	G	26.6	Very low	30.9	Very low	74 Å²	74	167.2 Å²	167.2	76%	0.763	83%	0.828	S	S	*	*			trans	131.8	72.8	169.2	0	0	0	0	0	115.3
352	E	25.9	Very low	29.3	Very low	201 Å²	201	168 Å²	168	94%	0.939	83%	0.832	S	S	*	*				150.4	105.3	121.2	-81	-166	152.4	0	0	112
353	C	23.4	Very low	28.5	Very low	125 Å²	125	169.1 Å²	169.1	85%	0.845	84%	0.842	S	S	*	*			trans	-95.9	115.3	173.1	-168.1	0	0	0	0	108.8
354	K	29.5	Very low	27.8	Very low	216 Å²	216	166.9 Å²	166.9	94%	0.939	84%	0.839	S	S	*	*			trans	-149.1	123.4	152.8	-73.5	-165.5	179.6	169.1	0	111.8
355	G	27.2	Very low	27.2	Very low	79 Å²	79	167.4 Å²	167.4	81%	0.814	84%	0.841	S	S	*	*			trans	117.1	62.4	146.9	0	0	0	0	0	118.4
356	L	24.2	Very low	26.9	Very low	157 Å²	157	166.3 Å²	166.3	82%	0.822	83%	0.831	S	S	*	*			trans	-68.4	128.6	161.6	-85.9	147.4	0	0	0	111.3	V358	L356-V358 HydrophobicContact CD2-CG2 3.97Å
357	K	26	Very low	26.5	Very low	215 Å²	215	165 Å²	165	94%	0.935	82%	0.823	S	S	*	*			trans	-133.1	115.2	147.4	-89.9	-171.9	178.1	177.7	0	109.4
358	V	25.3	Very low	26	Very low	102 Å²	102	164.8 Å²	164.8	62%	0.618	82%	0.819	S	S	*	*			trans	-100.6	138.9	178.4	171.5	0	0	0	0	109.9	L356 R360	L356-V358 HydrophobicContact CD2-CG2 3.97Å; V358-R360 HydrophobicContact CG1-CG 4.27Å
359	K	24.6	Very low	25.6	Very low	202 Å²	202	165.3 Å²	165.3	88%	0.878	82%	0.818	S	S	*	*			trans	-155.8	111.4	145.8	-86.5	-169.9	175.5	-176.2	0	105.3
360	R	24.1	Very low	25.5	Very low	214 Å²	214	162.8 Å²	162.8	81%	0.808	81%	0.814	S	S	*	*				45.5	123.1	65.8	-77.3	-164.2	-169.7	-169.1	4.6	111.1	V358	V358-R360 HydrophobicContact CG1-CG 4.27Å
361	E	24.5	Very low	25.7	Very low	175 Å²	175	159.1 Å²	159.1	82%	0.818	81%	0.808	S	S	*	*			cis	-146.2	150.9	30.3	-77.3	139.8	174.1	0	0	109.5
362	F	23.8	Very low	25.9	Very low	196 Å²	196	165.3 Å²	165.3	86%	0.86	81%	0.814	S	S	*	*				66.1	139.2	69.6	-112.3	-83.9	0	0	0	118.4
363	D	26.2	Very low	26	Very low	149 Å²	149	161.7 Å²	161.7	80%	0.797	81%	0.811	S	S	*	*			trans	72.9	133	177.9	-75.6	-16.8	0	0	0	118.4
364	G	24.6	Very low	26.2	Very low	66 Å²	66	163.7 Å²	163.7	68%	0.68	81%	0.808	S	S	*	*			cis	120.5	101.2	15	0	0	0	0	0	109.4
365	H	26.1	Very low	26.1	Very low	186 Å²	186	163.2 Å²	163.2	86%	0.861	80%	0.8	S	S	*	*			trans	178.5	138.6	132.2	-122.8	-51.8	0	0	0	114.4
366	E	25.2	Very low	26.1	Very low	132 Å²	132	166.5 Å²	166.5	62%	0.617	79%	0.794	S	S	*	*			trans	-59.5	160.6	169	-66.1	-178.4	108.6	0	0	117.2
367	K	25.5	Very low	26.3	Very low	151 Å²	151	168 Å²	168	66%	0.657	79%	0.794	S	S	*	*				110.9	122.2	126.7	-95.9	156.9	-172.6	155	0	120
368	K	24.6	Very low	26.4	Very low	177 Å²	177	168 Å²	168	77%	0.77	79%	0.794	S	S	*	*			trans	104.7	110	132.2	-78.7	174.3	-179.4	178.8	0	120.6
369	K	24.8	Very low	26.5	Very low	197 Å²	197	167.7 Å²	167.7	86%	0.857	80%	0.802	S	S	*	*				53	113.7	124.8	-69.9	-174	174.9	-177	0	120.9
370	K	26.6	Very low	26.7	Very low	200 Å²	200	168.2 Å²	168.2	87%	0.87	80%	0.804	S	S	*	*				18.7	146.5	128.7	-85.3	-175.7	-178.7	177.3	0	119.3
371	P	31.4	Very low	26.8	Very low	127 Å²	127	166.5 Å²	166.5	83%	0.825	81%	0.808	S	S	*	*				-150.2	178.1	61.9	37.1	-14.7	0	0	0	118.6
372	K	30.8	Very low	26.9	Very low	204 Å²	204	162.8 Å²	162.8	89%	0.887	80%	0.801	S	S	*	*			trans	-68	154.9	176.9	-71	177.3	169.8	-177.7	0	113.6
373	S	27.4	Very low	27.2	Very low	125 Å²	125	160.6 Å²	160.6	87%	0.874	80%	0.797	S	S	*	*			trans	-145.5	151	148.6	72.9	0	0	0	0	112.6
374	E	27.6	Very low	27.4	Very low	167 Å²	167	161.5 Å²	161.5	78%	0.78	79%	0.794	S	S	*	*			trans	-103.1	169.3	-171.4	-105	-175.5	-178.3	0	0	113.5
375	R	26.8	Very low	27.5	Very low	207 Å²	207	165.4 Å²	165.4	78%	0.781	81%	0.805	S	S	*	*			trans	79.1	143.8	158	-75.6	173.6	177.4	-163.1	-1.8	117.1
376	Q	28.3	Very low	27.8	Very low	147 Å²	147	164 Å²	164	69%	0.687	80%	0.799	S	S	*	*			cis	-167	145.1	20.1	-128.6	167.1	13.6	0	0	112.5
377	K	28.5	Very low	28.1	Very low	190 Å²	190	166.6 Å²	166.6	83%	0.826	81%	0.811	S	S	*	*			trans	29.1	133.8	142.8	-66.6	-179.3	177.3	-177.2	0	122.4
378	K	27.9	Very low	28.9	Very low	215 Å²	215	169.3 Å²	169.3	94%	0.935	84%	0.84	S	S	*	*				-160.6	134.6	116.5	-108.6	174.4	-174.7	178.7	0	112.4
379	A	27.1	Very low	29.1	Very low	95 Å²	95	169 Å²	169	79%	0.785	84%	0.843	S	S	*	*			trans	-94.1	155.6	177.3	0	0	0	0	0	111.4
380	K	28	Very low	29.3	Very low	212 Å²	212	167.5 Å²	167.5	92%	0.922	84%	0.842	S	S	*	*			trans	-153.9	118.2	149.5	-103.1	-178.2	-179.1	-176.6	0	109.5
381	M	26.4	Very low	29.4	Very low	179 Å²	179	165.7 Å²	165.7	88%	0.882	84%	0.841	S	S	*	*			trans	-94.4	147.4	162.3	-82.5	172.3	55	0	0	109.1
382	S	27.6	Very low	29.3	Very low	97 Å²	97	167.9 Å²	167.9	68%	0.678	84%	0.842	S	S	*	*				174.1	121.7	122.1	-100.6	0	0	0	0	111.9
383	I	29.2	Very low	29.2	Very low	149 Å²	149	165.7 Å²	165.7	76%	0.764	84%	0.839	S	S	*	*				84.8	104.1	114.9	-60.5	166.9	0	0	0	113
384	K	30.2	Very low	29.4	Very low	168 Å²	168	168.4 Å²	168.4	73%	0.73	84%	0.837	S	S	*	*				68.1	110.6	78.9	-119.9	-163.4	-173.1	-151.9	0	114.5
385	T	28.1	Very low	29.5	Very low	149 Å²	149	168.5 Å²	168.5	91%	0.914	84%	0.841	S	S	*	*			trans	-153.6	130.9	140.1	-8.1	0	0	0	0	110
386	E	31.4	Very low	29.7	Very low	156 Å²	156	165.5 Å²	165.5	73%	0.729	85%	0.845	S	S	*	*			trans	-87.3	-179.9	173.3	-77.8	166.1	145.1	0	0	111.2
387	E	32.2	Very low	29.8	Very low	187 Å²	187	167.1 Å²	167.1	87%	0.874	86%	0.858	S	S	*	*			trans	118.9	122.3	163.1	-70.8	-172.1	175.3	0	0	112
388	V	41	Very low	29.9	Very low	208 Å²	208	165 Å²	165	100%	1.261	86%	0.861	S	S	*	*			cis	-141.1	0	12.7	173.2	0	0	0	0	109.6

Retrieved 388 of 388 residues in 780.6 ms (Link to these results)

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