A0A087XXK0_POEFO Loading...

G protein-coupled receptor kinase

AlphaFold DB , UniProt , Accession A0A087XXK0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 575 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.9	Low	81.3	Confident	185 Å²	185	90.6 Å²	90.6	91%	0.911	48%	0.479	S	S	*	.				0	-56.4	0	-84.2	-177.6	-74.2	0	0	110.8	L3 E4 L478	M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 3.12Å; M1-E4 PolarHBondContact O-N 3.3Å; M1-L478 HydrophobicContact CB-CD1 4.1Å; M1-L478 HydrophobicContact CG-CD1 4.17Å
2	E	68	Low	82.1	Confident	158 Å²	158	83.3 Å²	83.3	74%	0.738	44%	0.44	S	S	*	.	H	α-helix	trans	-58.1	-37.8	173.6	-137	172.1	-176.2	0	0	113.2	E4 N5 I6	E2-E4 PolarHBondContact O-N 3.5Å; E2-N5 PolarHBondContact O-N 2.54Å; E2-I6 HydrophobicContact CB-CD1 4.3Å; E2-I6 HydrophobicContact CG-CD1 4.02Å; E2-I6 VanDerWaalsContact O-CG1 3.25Å; E2-I6 WeakPolarHBondContact O-CG1 3.4Å; E2-I6 PolarHBondContact O-N 3Å
3	L	79.8	Confident	82.7	Confident	125 Å²	125	79.3 Å²	79.3	65%	0.654	42%	0.419	S	S	*	.	H	α-helix	trans	-60.8	-39.8	-177.5	-170.9	67	0	0	0	113.7	M1 I6 V7	M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 3.12Å; L3-I6 PolarHBondContact O-N 2.9Å; L3-V7 HydrophobicContact CD1-CG2 4.15Å; L3-V7 HydrophobicContact CG-CG2 4.18Å; L3-V7 VanDerWaalsContact O-CB 3.29Å; L3-V7 WeakPolarHBondContact O-CB 3.47Å; L3-V7 WeakPolarHBondContact O-CG2 3.48Å; L3-V7 PolarHBondContact O-N 3.48Å
4	E	79.9	Confident	83.2	Confident	135 Å²	135	82.4 Å²	82.4	63%	0.631	43%	0.427	S	S	*	.	H	α-helix	trans	-65.5	-43.3	-179.5	-74.3	-178.3	174.7	0	0	111.4	M1 E2 A8	M1-E4 PolarHBondContact O-N 3.3Å; E2-E4 PolarHBondContact O-N 3.5Å; E4-A8 WeakPolarHBondContact O-CB 3.31Å; E4-A8 PolarHBondContact O-N 2.92Å
5	N	82.6	Confident	83.5	Confident	20 Å²	20	77.5 Å²	77.5	11%	0.107	40%	0.403	C	S	.	.	H	α-helix	trans	-66.5	-45.5	177.4	-164.7	45.2	0	0	0	110.9	E2 V7 A8 N9 D476 V477	E2-N5 PolarHBondContact O-N 2.54Å; N5-V7 PolarHBondContact O-N 3.02Å; N5-A8 PolarHBondContact O-N 3.1Å; N5-N9 VanDerWaalsContact O-CB 3.24Å; N5-N9 WeakPolarHBondContact O-CB 3.21Å; N5-N9 PolarHBondContact O-N 3Å; N5-N9 PolarHBondContact O-ND2 3.43Å; N5-N9 PolarHBondContact O-OD1 2.74Å; N5-D476 PolarHBondContact ND2-OD1 3.47Å; N5-V477 PolarHBondContact OD1-N 2.94Å
6	I	85.1	Confident	83.7	Confident	87 Å²	87	75.6 Å²	75.6	45%	0.446	39%	0.389	S	S	.	.	H	α-helix	trans	-58.9	-47.4	176.7	-68.2	165.4	0	0	0	110.9	E2 L3 N9 T10	E2-I6 HydrophobicContact CB-CD1 4.3Å; E2-I6 HydrophobicContact CG-CD1 4.02Å; E2-I6 VanDerWaalsContact O-CG1 3.25Å; E2-I6 WeakPolarHBondContact O-CG1 3.4Å; E2-I6 PolarHBondContact O-N 3Å; L3-I6 PolarHBondContact O-N 2.9Å; I6-N9 PolarHBondContact O-N 3.39Å; I6-T10 VanDerWaalsContact O-CB 3.29Å; I6-T10 WeakPolarHBondContact O-CB 3.3Å; I6-T10 PolarHBondContact O-N 2.87Å; I6-T10 PolarHBondContact O-OG1 2.96Å
7	V	87.9	Confident	83.6	Confident	75 Å²	75	78.5 Å²	78.5	46%	0.455	40%	0.401	S	S	.	.	H	α-helix	trans	-62.8	-49	178.9	169.7	0	0	0	0	110.3	L3 N5 N9 T10 V11	L3-V7 HydrophobicContact CD1-CG2 4.15Å; L3-V7 HydrophobicContact CG-CG2 4.18Å; L3-V7 VanDerWaalsContact O-CB 3.29Å; L3-V7 WeakPolarHBondContact O-CB 3.47Å; L3-V7 WeakPolarHBondContact O-CG2 3.48Å; L3-V7 PolarHBondContact O-N 3.48Å; N5-V7 PolarHBondContact O-N 3.02Å; V7-N9 VanDerWaalsContact C-N 3.29Å; V7-N9 PolarHBondContact O-N 2.86Å; V7-T10 PolarHBondContact O-N 3.42Å; V7-V11 HydrophobicContact CG1-CG2 4.27Å; V7-V11 WeakPolarHBondContact O-CB 3.2Å; V7-V11 WeakPolarHBondContact O-CG2 3.26Å; V7-V11 PolarHBondContact O-N 3.46Å
8	A	87.1	Confident	82.7	Confident	25 Å²	25	75.3 Å²	75.3	21%	0.207	39%	0.39	C	S	.	.	H	α-helix	trans	-59.8	-39.8	-180	0	0	0	0	0	112.2	E4 N5 L12 R190	E4-A8 WeakPolarHBondContact O-CB 3.31Å; E4-A8 PolarHBondContact O-N 2.92Å; N5-A8 PolarHBondContact O-N 3.1Å; A8-L12 WeakPolarHBondContact O-CB 3.47Å; A8-L12 PolarHBondContact O-N 3.36Å; A8-L12 VanDerWaalsContact O-N 3.11Å; A8-R190 HydrophobicContact CB-CB 3.94Å
9	N	87.9	Confident	81.7	Confident	30 Å²	30	72.9 Å²	72.9	16%	0.16	39%	0.386	C	S	.	.	H	α-helix	trans	-69.8	-49.9	178.8	-68.8	-1.3	0	0	0	111.7	N5 I6 V7 V11 L12 L13 R190 I472	N5-N9 VanDerWaalsContact O-CB 3.24Å; N5-N9 WeakPolarHBondContact O-CB 3.21Å; N5-N9 PolarHBondContact O-N 3Å; N5-N9 PolarHBondContact O-ND2 3.43Å; N5-N9 PolarHBondContact O-OD1 2.74Å; I6-N9 PolarHBondContact O-N 3.39Å; V7-N9 VanDerWaalsContact C-N 3.29Å; V7-N9 PolarHBondContact O-N 2.86Å; N9-V11 VanDerWaalsContact C-N 3.28Å; N9-V11 PolarHBondContact O-N 3.33Å; N9-L12 PolarHBondContact O-N 2.7Å; N9-L12 VanDerWaalsContact O-N 3.14Å; N9-L13 WeakPolarHBondContact O-CG 3.35Å; N9-L13 PolarHBondContact O-N 3.45Å; N9-R190 WeakPolarHBondContact OD1-CD 3.45Å; N9-R190 VanDerWaalsContact OD1-CZ 3.31Å; N9-R190 PolarHBondContact OD1-NH1 3.44Å; N9-I472 HydrophobicContact CB-CD1 3.43Å; N9-I472 VanDerWaalsContact CB-CD1 3.43Å; N9-I472 VanDerWaalsContact CG-CD1 3.43Å
10	T	89.9	Confident	80.3	Confident	82 Å²	82	73.3 Å²	73.3	50%	0.503	41%	0.408	S	S	.	.	H	α-helix	trans	-59.8	-41.7	179.4	-54.8	0	0	0	0	111.1	I6 V7 K14	I6-T10 VanDerWaalsContact O-CB 3.29Å; I6-T10 WeakPolarHBondContact O-CB 3.3Å; I6-T10 PolarHBondContact O-N 2.87Å; I6-T10 PolarHBondContact O-OG1 2.96Å; V7-T10 PolarHBondContact O-N 3.42Å; T10-K14 WeakPolarHBondContact O-CB 3.49Å; T10-K14 PolarHBondContact O-N 2.91Å
11	V	91	Very high	79.5	Confident	75 Å²	75	72 Å²	72	46%	0.455	41%	0.411	S	S	.	.	H	α-helix	trans	-66.9	-38.7	178.2	174.5	0	0	0	0	111.4	V7 N9 A15 Y189	V7-V11 HydrophobicContact CG1-CG2 4.27Å; V7-V11 WeakPolarHBondContact O-CB 3.2Å; V7-V11 WeakPolarHBondContact O-CG2 3.26Å; V7-V11 PolarHBondContact O-N 3.46Å; N9-V11 VanDerWaalsContact C-N 3.28Å; N9-V11 PolarHBondContact O-N 3.33Å; V11-A15 PolarHBondContact O-N 3Å; V11-A15 VanDerWaalsContact O-N 3.17Å; V11-Y189 HydrophobicContact CG1-CD1 3.82Å; V11-Y189 HydrophobicContact CG1-CE1 3.8Å
12	L	90.6	Very high	80.4	Confident	2 Å²	2	71.5 Å²	71.5	1%	0.01	41%	0.412	C	S	.	.	H	α-helix	trans	-67.2	-47.9	175.9	179.1	63.9	0	0	0	111.9	A8 N9 K14 A15 R16 Y189 R190 L192 A202 M211 I472	A8-L12 WeakPolarHBondContact O-CB 3.47Å; A8-L12 PolarHBondContact O-N 3.36Å; A8-L12 VanDerWaalsContact O-N 3.11Å; N9-L12 PolarHBondContact O-N 2.7Å; N9-L12 VanDerWaalsContact O-N 3.14Å; L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 2.69Å; L12-A15 WeakPolarHBondContact O-CA 3.25Å; L12-A15 WeakPolarHBondContact O-CB 3.13Å; L12-A15 PolarHBondContact O-N 3.1Å; L12-R16 HydrophobicContact CD1-CG 4.48Å; L12-R16 PolarHBondContact O-N 2.96Å; L12-Y189 HydrophobicContact CD1-CG 4.5Å; L12-R190 HydrophobicContact CB-CG 4.24Å; L12-R190 HydrophobicContact CD2-CG 3.69Å; L12-R190 HydrophobicContact CG-CG 4.46Å; L12-L192 HydrophobicContact CD2-CD2 4.27Å; L12-A202 HydrophobicContact CD1-CB 3.69Å; L12-M211 HydrophobicContact CD1-CE 3.7Å; L12-I472 HydrophobicContact CD2-CD1 4.47Å
13	L	90.5	Very high	81.1	Confident	32 Å²	32	70.2 Å²	70.2	17%	0.168	40%	0.401	C	S	.	.	H	α-helix	trans	-57.7	-47.1	179.3	-71.4	173.1	0	0	0	110.9	N9 A15 R16 E17 I472	N9-L13 WeakPolarHBondContact O-CG 3.35Å; N9-L13 PolarHBondContact O-N 3.45Å; L13-A15 PolarHBondContact O-N 3.33Å; L13-R16 WeakPolarHBondContact O-CB 3.29Å; L13-R16 PolarHBondContact O-N 3.41Å; L13-E17 WeakPolarHBondContact O-CG 3.35Å; L13-E17 PolarHBondContact O-N 2.95Å; L13-I472 HydrophobicContact CD2-CD1 4.5Å; L13-I472 HydrophobicContact CD2-CG1 4.06Å; L13-I472 HydrophobicContact CG-CD1 4.22Å; L13-I472 HydrophobicContact CG-CG1 4.33Å
14	K	89.3	Confident	81.5	Confident	123 Å²	123	69.4 Å²	69.4	54%	0.535	39%	0.392	S	S	.	.	H	α-helix	trans	-60.2	-32.3	175.4	-170.4	169.6	-171.6	167.6	0	113.2	T10 L12 G19	T10-K14 WeakPolarHBondContact O-CB 3.49Å; T10-K14 PolarHBondContact O-N 2.91Å; L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 2.69Å; K14-G19 WeakPolarHBondContact O-CA 3.27Å; K14-G19 PolarHBondContact O-N 3.26Å
15	A	88.8	Confident	82	Confident	8 Å²	8	63.7 Å²	63.7	7%	0.066	37%	0.369	C	S	.	.	H	α-helix	trans	-74.2	-36.7	175.7	0	0	0	0	0	112.4	V11 L12 L13 E17 G18 Y189 M211	V11-A15 PolarHBondContact O-N 3Å; V11-A15 VanDerWaalsContact O-N 3.17Å; L12-A15 WeakPolarHBondContact O-CA 3.25Å; L12-A15 WeakPolarHBondContact O-CB 3.13Å; L12-A15 PolarHBondContact O-N 3.1Å; L13-A15 PolarHBondContact O-N 3.33Å; A15-E17 VanDerWaalsContact C-N 3.33Å; A15-G18 PolarHBondContact O-N 3.41Å; A15-G18 VanDerWaalsContact O-N 3.17Å; A15-Y189 HydrophobicContact CB-CD1 4.24Å; A15-Y189 HydrophobicContact CB-CE1 3.49Å; A15-Y189 VanDerWaalsContact CB-CE1 3.49Å; A15-M211 HydrophobicContact CB-CE 4.13Å; A15-M211 HydrophobicContact CB-SD 4.01Å
16	R	85.6	Confident	82.6	Confident	47 Å²	47	63.4 Å²	63.4	18%	0.177	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-36.8	174.8	-73	174.1	70.2	-162.8	0.7	112.1	L12 L13 G18 N267 D321 P469 A471	L12-R16 HydrophobicContact CD1-CG 4.48Å; L12-R16 PolarHBondContact O-N 2.96Å; L13-R16 WeakPolarHBondContact O-CB 3.29Å; L13-R16 PolarHBondContact O-N 3.41Å; R16-G18 PolarHBondContact O-N 3.18Å; R16-N267 PolarHBondContact NE-ND2 3.07Å; R16-D321 IonicContact CZ-OD1 2.64Å; R16-D321 IonicContact NE-OD1 3.82Å; R16-D321 IonicContact NH2-OD1 2.86Å; R16-D321 PolarHBondContact NH2-OD1 3.42Å; R16-P469 PolarHBondContact NH1-O 3.48Å; R16-A471 PolarHBondContact NH1-O 3.37Å
17	E	82.6	Confident	83.1	Confident	126 Å²	126	59.9 Å²	59.9	59%	0.589	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	3.7	174.5	-67.3	174.6	168.8	0	0	114.1	L13 A15 Q470	L13-E17 WeakPolarHBondContact O-CG 3.35Å; L13-E17 PolarHBondContact O-N 2.95Å; A15-E17 VanDerWaalsContact C-N 3.33Å; E17-Q470 PolarHBondContact OE1-NE2 3.2Å
18	G	68	Low	83.4	Confident	21 Å²	21	64.4 Å²	64.4	22%	0.216	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	9.2	-176.4	0	0	0	0	0	113.9	A15 R16 K24 G25	A15-G18 PolarHBondContact O-N 3.41Å; A15-G18 VanDerWaalsContact O-N 3.17Å; R16-G18 PolarHBondContact O-N 3.18Å; G18-K24 CarbonylContact O-C 3.55Å; G18-K24 WeakPolarHBondContact O-CA 3.35Å; G18-G25 PolarHBondContact O-N 3.17Å
19	G	62.4	Low	83.8	Confident	30 Å²	30	69.5 Å²	69.5	31%	0.309	38%	0.381	S	S	.	.			trans	74.7	165.9	-177.4	0	0	0	0	0	113.7	K14 G21	K14-G19 WeakPolarHBondContact O-CA 3.27Å; K14-G19 PolarHBondContact O-N 3.26Å; G19-G21 VanDerWaalsContact C-N 3.25Å; G19-G21 PolarHBondContact O-N 3.25Å
20	G	54.3	Low	84.2	Confident	79 Å²	79	69 Å²	69	81%	0.814	38%	0.377	S	S	*	.	S	Bend	trans	-77.6	45	-172.6	0	0	0	0	0	116.4
21	G	63.7	Low	84.5	Confident	47 Å²	47	70.5 Å²	70.5	49%	0.485	38%	0.376	S	S	.	.	S	Bend	trans	174.8	179.4	173.1	0	0	0	0	0	115.9	G19 R23 K24	G19-G21 VanDerWaalsContact C-N 3.25Å; G19-G21 PolarHBondContact O-N 3.25Å; G21-R23 PolarHBondContact O-N 3.1Å; G21-K24 PolarHBondContact O-N 2.71Å
22	N	73.9	Confident	84.7	Confident	174 Å²	174	73.2 Å²	73.2	93%	0.93	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-2.9	-170.3	-57.6	-0.1	0	0	0	116.6
23	R	81.3	Confident	85	Confident	131 Å²	131	77 Å²	77	49%	0.494	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-3.8	-176.8	-64.6	-172.2	-179	108.5	2.1	113.5	G21 G25 K26	G21-R23 PolarHBondContact O-N 3.1Å; R23-G25 PolarHBondContact O-N 3.2Å; R23-G25 VanDerWaalsContact O-N 3.12Å; R23-K26 HydrophobicContact CB-CB 4.33Å; R23-K26 WeakPolarHBondContact O-CB 3.25Å; R23-K26 WeakPolarHBondContact O-CG 3.3Å; R23-K26 PolarHBondContact O-N 3.13Å
24	K	88.8	Confident	85.3	Confident	108 Å²	108	76.3 Å²	76.3	47%	0.47	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	42.5	-180	-58.8	178.3	-179.3	171.7	0	112.4	G18 G21 K26 E519	G18-K24 CarbonylContact O-C 3.55Å; G18-K24 WeakPolarHBondContact O-CA 3.35Å; G21-K24 PolarHBondContact O-N 2.71Å; K24-K26 PolarHBondContact O-N 2.91Å; K24-E519 IonicContact NZ-OE1 2.73Å; K24-E519 PolarHBondContact NZ-OE1 3.26Å; K24-E519 IonicContact NZ-OE2 3.05Å; K24-E519 PolarHBondContact NZ-OE2 2.83Å
25	G	91.5	Very high	85.6	Confident	15 Å²	15	75.2 Å²	75.2	16%	0.155	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-13.5	-178.5	0	0	0	0	0	116.7	G18 R23 R187	G18-G25 PolarHBondContact O-N 3.17Å; R23-G25 PolarHBondContact O-N 3.2Å; R23-G25 VanDerWaalsContact O-N 3.12Å; G25-R187 PolarHBondContact O-NH1 3.36Å
26	K	95.1	Very high	86	Confident	15 Å²	15	76 Å²	76	7%	0.065	40%	0.398	C	S	.	.			trans	-59.8	140.3	179.1	-61.6	170.1	179.8	162.4	0	112.1	R23 K24 W30 A207 T208 T518 E523	R23-K26 HydrophobicContact CB-CB 4.33Å; R23-K26 WeakPolarHBondContact O-CB 3.25Å; R23-K26 WeakPolarHBondContact O-CG 3.3Å; R23-K26 PolarHBondContact O-N 3.13Å; K24-K26 PolarHBondContact O-N 2.91Å; K26-W30 HydrophobicContact CB-CB 4.28Å; K26-W30 HydrophobicContact CB-CG 4.06Å; K26-W30 HydrophobicContact CD-CD2 4.21Å; K26-W30 HydrophobicContact CD-CG 4.35Å; K26-A207 WeakPolarHBondContact CG-O 3.35Å; K26-T208 WeakPolarHBondContact CG-O 3.38Å; K26-T518 WeakPolarHBondContact CE-O 3.39Å; K26-T518 PolarHBondContact NZ-O 2.66Å; K26-E523 IonicContact NZ-OE1 2.8Å; K26-E523 PolarHBondContact NZ-OE1 3.13Å
27	S	95.1	Very high	86.5	Confident	13 Å²	13	74.1 Å²	74.1	9%	0.091	39%	0.392	C	S	.	.			trans	-57.1	146.8	170.7	175.7	0	0	0	0	111.5	K29 W30 R206	S27-K29 PolarHBondContact O-N 2.57Å; S27-K29 PolarHBondContact OG-N 2.88Å; S27-W30 WeakPolarHBondContact O-CB 3.49Å; S27-W30 PolarHBondContact O-N 2.9Å; S27-R206 WeakPolarHBondContact CB-O 3.32Å; S27-R206 PolarHBondContact N-O 3.45Å
28	K	94.1	Very high	87.1	Confident	169 Å²	169	68.5 Å²	68.5	74%	0.735	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-23	173.3	-59	-165.8	-179.5	176.6	0	113.3
29	K	95.3	Very high	88.4	Confident	132 Å²	132	67.5 Å²	67.5	57%	0.574	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	18.1	-178.7	-61.4	-175.3	176.2	-174.2	0	113.2	S27 K31 Q32 M33	S27-K29 PolarHBondContact O-N 2.57Å; S27-K29 PolarHBondContact OG-N 2.88Å; K29-K31 VanDerWaalsContact C-N 3.33Å; K29-K31 PolarHBondContact O-N 3.44Å; K29-Q32 WeakPolarHBondContact O-CB 3.25Å; K29-Q32 PolarHBondContact O-N 2.82Å; K29-M33 WeakPolarHBondContact O-CG 3.16Å; K29-M33 PolarHBondContact O-N 3.42Å; K29-M33 VanDerWaalsContact O-N 3.1Å
30	W	96.4	Very high	89.8	Confident	20 Å²	20	68.2 Å²	68.2	8%	0.076	36%	0.356	C	S	.	.	H	α-helix	trans	-59.7	-38.5	-171.7	74.8	-92.9	0	0	0	113.9	K26 S27 Q32 M33 L34 A207 C520 E523 L524	K26-W30 HydrophobicContact CB-CB 4.28Å; K26-W30 HydrophobicContact CB-CG 4.06Å; K26-W30 HydrophobicContact CD-CD2 4.21Å; K26-W30 HydrophobicContact CD-CG 4.35Å; S27-W30 WeakPolarHBondContact O-CB 3.49Å; S27-W30 PolarHBondContact O-N 2.9Å; W30-Q32 PolarHBondContact O-N 3.12Å; W30-M33 WeakPolarHBondContact O-CA 3.33Å; W30-M33 WeakPolarHBondContact O-CB 3.38Å; W30-M33 PolarHBondContact O-N 2.82Å; W30-L34 HydrophobicContact CE3-CD1 4.18Å; W30-L34 PolarHBondContact O-N 3.44Å; W30-A207 WeakPolarHBondContact CB-O 3.5Å; W30-C520 HydrophobicContact CZ3-CB 4.29Å; W30-E523 HydrophobicContact CH2-CB 3.88Å; W30-E523 HydrophobicContact CZ2-CB 4.5Å; W30-E523 VanDerWaalsContact CZ2-OE2 3.22Å; W30-E523 WeakPolarHBondContact CZ2-OE2 3.32Å; W30-L524 HydrophobicContact CH2-CD2 4.09Å; W30-L524 HydrophobicContact CH2-CG 4.06Å; W30-L524 HydrophobicContact CZ3-CD1 3.75Å; W30-L524 HydrophobicContact CZ3-CD2 3.94Å; W30-L524 HydrophobicContact CZ3-CG 3.76Å
31	K	95.3	Very high	91.8	Very high	113 Å²	113	69 Å²	69	49%	0.491	34%	0.341	S	S	.	.	H	α-helix	trans	-62.3	-29.6	175.1	-65.3	-166.4	174.4	-169.3	0	113.2	K29 L34 Q35 L524	K29-K31 VanDerWaalsContact C-N 3.33Å; K29-K31 PolarHBondContact O-N 3.44Å; K31-L34 CarbonylContact O-C 3.59Å; K31-Q35 PolarHBondContact O-N 3.2Å; K31-L524 HydrophobicContact CG-CD2 4.36Å
32	Q	95.4	Very high	93.3	Very high	132 Å²	132	66.7 Å²	66.7	62%	0.617	32%	0.317	S	S	*	.	H	α-helix	trans	-76.5	-31.6	173.4	-62.8	173.9	-10.3	0	0	111.4	K29 W30	K29-Q32 WeakPolarHBondContact O-CB 3.25Å; K29-Q32 PolarHBondContact O-N 2.82Å; W30-Q32 PolarHBondContact O-N 3.12Å
33	M	96.7	Very high	94.2	Very high	82 Å²	82	61.5 Å²	61.5	40%	0.404	29%	0.288	S	S	.	.	H	α-helix	trans	-72.3	-31.1	177.1	-65	169.5	165	0	0	112.2	K29 W30 A207	K29-M33 WeakPolarHBondContact O-CG 3.16Å; K29-M33 PolarHBondContact O-N 3.42Å; K29-M33 VanDerWaalsContact O-N 3.1Å; W30-M33 WeakPolarHBondContact O-CA 3.33Å; W30-M33 WeakPolarHBondContact O-CB 3.38Å; W30-M33 PolarHBondContact O-N 2.82Å; M33-A207 HydrophobicContact CB-CB 4.27Å; M33-A207 HydrophobicContact SD-CB 4.39Å
34	L	97.3	Very high	94.9	Very high	17 Å²	17	62.5 Å²	62.5	9%	0.089	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	31.1	-179.8	-60.5	-179.8	0	0	0	112	W30 K31 F36 A207 T208 M515 C520 L524	W30-L34 HydrophobicContact CE3-CD1 4.18Å; W30-L34 PolarHBondContact O-N 3.44Å; K31-L34 CarbonylContact O-C 3.59Å; L34-F36 PolarHBondContact O-N 3.4Å; L34-A207 HydrophobicContact CD1-CB 4Å; L34-A207 HydrophobicContact CD2-CB 4.21Å; L34-A207 HydrophobicContact CG-CB 3.94Å; L34-T208 HydrophobicContact CD1-CG2 4.43Å; L34-M515 HydrophobicContact CD1-SD 4.06Å; L34-C520 HydrophobicContact CD1-CB 4.34Å; L34-L524 HydrophobicContact CB-CD1 3.71Å; L34-L524 HydrophobicContact CD1-CD1 4.32Å
35	Q	96.4	Very high	95.1	Very high	101 Å²	101	58.3 Å²	58.3	47%	0.472	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-69.7	128	177.4	-176.5	175.8	9	0	0	109.5	K31	K31-Q35 PolarHBondContact O-N 3.2Å
36	F	97.3	Very high	95.3	Very high	23 Å²	23	60 Å²	60	10%	0.101	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-60.4	140.8	176.6	-70.1	-52.9	0	0	0	111.6	L34 Q172 W173 L176 L524	L34-F36 PolarHBondContact O-N 3.4Å; F36-Q172 HydrophobicContact CB-CB 4.43Å; F36-Q172 HydrophobicContact CD1-CB 3.67Å; F36-Q172 HydrophobicContact CE1-CB 4.22Å; F36-Q172 HydrophobicContact CG-CB 4.23Å; F36-W173 AromaticContact CE1-CD2 3.74Å; F36-W173 HydrophobicContact CE1-CD2 3.74Å; F36-W173 AromaticContact CE1-CE2 3.66Å; F36-W173 HydrophobicContact CE1-CE3 4.2Å; F36-W173 HydrophobicContact CE1-CG 4.05Å; F36-W173 HydrophobicContact CE1-CH2 4.45Å; F36-W173 HydrophobicContact CE1-CZ2 4.04Å; F36-W173 AromaticContact CE1-NE1 3.92Å; F36-W173 HydrophobicContact CZ-CD2 4.03Å; F36-W173 AromaticContact CZ-CE2 3.43Å; F36-W173 VanDerWaalsContact CZ-CE2 3.43Å; F36-W173 HydrophobicContact CZ-CG 4.48Å; F36-W173 HydrophobicContact CZ-CH2 4.22Å; F36-W173 AromaticContact CZ-CZ2 3.54Å; F36-W173 HydrophobicContact CZ-CZ2 3.54Å; F36-W173 AromaticContact CZ-NE1 3.59Å; F36-L176 HydrophobicContact CD1-CD1 3.55Å; F36-L176 HydrophobicContact CD1-CG 4.33Å; F36-L176 HydrophobicContact CE1-CD1 3.62Å; F36-L524 HydrophobicContact CE2-CB 4.13Å; F36-L524 WeakPolarHBondContact CE2-O 3.44Å; F36-L524 HydrophobicContact CZ-CB 4.19Å
37	P	95.8	Very high	95.3	Very high	8 Å²	8	66.1 Å²	66.1	5%	0.052	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-69.3	156.1	168.4	35	-38.7	0	0	0	109.8	L41 Q172 W175	P37-L41 HydrophobicContact CB-CB 4.09Å; P37-L41 HydrophobicContact CB-CD1 3.9Å; P37-Q172 HydrophobicContact CG-CB 4.38Å; P37-Q172 HydrophobicContact CG-CG 4.24Å; P37-Q172 PolarHBondContact O-NE2 2.61Å; P37-W175 HydrophobicContact CB-CD2 3.84Å; P37-W175 HydrophobicContact CB-CE3 3.92Å; P37-W175 HydrophobicContact CB-CG 4.34Å; P37-W175 HydrophobicContact CB-CH2 4.36Å; P37-W175 HydrophobicContact CB-CZ2 4.27Å; P37-W175 HydrophobicContact CB-CZ3 4.18Å; P37-W175 HydrophobicContact CG-CB 3.95Å; P37-W175 HydrophobicContact CG-CD2 3.53Å; P37-W175 HydrophobicContact CG-CE3 3.58Å; P37-W175 HydrophobicContact CG-CG 3.7Å; P37-W175 HydrophobicContact CG-CZ3 4.28Å
38	H	95.1	Very high	95.2	Very high	8 Å²	8	70 Å²	70	4%	0.037	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-59.4	141.2	163.5	-173.1	-96.9	0	0	0	109.6	S40 L41 D538	H38-S40 WeakPolarHBondContact ND1-CB 3.44Å; H38-S40 PolarHBondContact ND1-N 3.06Å; H38-S40 PolarHBondContact ND1-OG 3.43Å; H38-S40 PolarHBondContact O-N 3.3Å; H38-L41 WeakPolarHBondContact O-CB 3.4Å; H38-L41 PolarHBondContact O-N 3.16Å; H38-D538 PolarHBondContact NE2-O 3.2Å; H38-D538 VanDerWaalsContact NE2-O 3.13Å
39	I	94.4	Very high	95.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-56.5	-29.3	-172.3	-169.6	58.1	0	0	0	114.1	L41 C42 N168 Q172 D536 L537 W539	I39-L41 PolarHBondContact O-N 3.21Å; I39-C42 HydrophobicContact CD1-CB 4.18Å; I39-C42 WeakPolarHBondContact O-CB 3.2Å; I39-C42 PolarHBondContact O-N 2.71Å; I39-N168 HydrophobicContact CD1-CB 3.67Å; I39-N168 WeakPolarHBondContact CD1-O 3.49Å; I39-N168 HydrophobicContact CG1-CB 4.21Å; I39-Q172 HydrophobicContact CD1-CG 4.26Å; I39-D536 PolarHBondContact N-O 3.41Å; I39-L537 HydrophobicContact CB-CD2 4.38Å; I39-L537 HydrophobicContact CD1-CD2 4.02Å; I39-L537 HydrophobicContact CG1-CD2 4.35Å; I39-W539 HydrophobicContact CB-CZ2 4.46Å; I39-W539 HydrophobicContact CG1-CH2 4.4Å; I39-W539 HydrophobicContact CG1-CZ2 3.61Å; I39-W539 HydrophobicContact CG2-CD2 3.66Å; I39-W539 HydrophobicContact CG2-CE3 4.19Å; I39-W539 HydrophobicContact CG2-CG 3.87Å; I39-W539 HydrophobicContact CG2-CZ2 4.18Å
40	S	93.3	Very high	95.2	Very high	46 Å²	46	63.5 Å²	63.5	32%	0.322	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-60.9	-24.9	175.9	66.2	0	0	0	0	113.9	H38 C42	H38-S40 WeakPolarHBondContact ND1-CB 3.44Å; H38-S40 PolarHBondContact ND1-N 3.06Å; H38-S40 PolarHBondContact ND1-OG 3.43Å; H38-S40 PolarHBondContact O-N 3.3Å; S40-C42 PolarHBondContact O-N 3.24Å
41	L	95	Very high	95.2	Very high	94 Å²	94	66.6 Å²	66.6	49%	0.492	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-77.7	-6.7	175.3	-61	176.9	0	0	0	112.8	P37 H38 I39	P37-L41 HydrophobicContact CB-CB 4.09Å; P37-L41 HydrophobicContact CB-CD1 3.9Å; H38-L41 WeakPolarHBondContact O-CB 3.4Å; H38-L41 PolarHBondContact O-N 3.16Å; I39-L41 PolarHBondContact O-N 3.21Å
42	C	96.3	Very high	95.3	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-99.7	5.6	179.1	-57.6	0	0	0	0	112.8	I39 S40 E44 L45 R46 L171	I39-C42 HydrophobicContact CD1-CB 4.18Å; I39-C42 WeakPolarHBondContact O-CB 3.2Å; I39-C42 PolarHBondContact O-N 2.71Å; S40-C42 PolarHBondContact O-N 3.24Å; C42-E44 PolarHBondContact O-N 3.37Å; C42-L45 WeakPolarHBondContact O-CB 3.3Å; C42-L45 PolarHBondContact O-N 2.89Å; C42-L45 VanDerWaalsContact O-N 3.16Å; C42-R46 PolarHBondContact O-N 3.45Å; C42-L171 HydrophobicContact CB-CB 3.96Å
43	E	92.9	Very high	95.4	Very high	65 Å²	65	59 Å²	59	30%	0.304	29%	0.292	S	S	.	.	H	α-helix	trans	-64.7	-41.8	-174.7	-174.4	52.1	-148.6	0	0	112.6	L45 R46 Q47 W539	E43-L45 VanDerWaalsContact C-N 3.29Å; E43-L45 PolarHBondContact O-N 3.06Å; E43-R46 VanDerWaalsContact O-CB 3.32Å; E43-R46 WeakPolarHBondContact O-CB 3.39Å; E43-R46 PolarHBondContact O-N 3Å; E43-R46 VanDerWaalsContact O-N 3.12Å; E43-R46 IonicContact OE2-NE 3.28Å; E43-Q47 WeakPolarHBondContact O-CG 3.44Å; E43-Q47 PolarHBondContact O-N 3.05Å; E43-Q47 PolarHBondContact OE1-NE2 2.9Å; E43-W539 WeakPolarHBondContact OE2-CH2 3.39Å
44	E	94.5	Very high	95.4	Very high	151 Å²	151	57.2 Å²	57.2	71%	0.706	29%	0.287	S	S	*	.	H	α-helix	trans	-60.3	-40.6	173.3	-173.4	-173.6	165.8	0	0	111.5	C42 R46 Q47 T48	C42-E44 PolarHBondContact O-N 3.37Å; E44-R46 VanDerWaalsContact C-N 3.33Å; E44-R46 PolarHBondContact O-N 3.1Å; E44-Q47 PolarHBondContact O-N 3.42Å; E44-T48 HydrophobicContact CG-CG2 4.38Å; E44-T48 WeakPolarHBondContact O-CB 3.29Å; E44-T48 WeakPolarHBondContact O-CG2 3.42Å; E44-T48 PolarHBondContact O-N 3.35Å; E44-T48 PolarHBondContact O-OG1 2.94Å
45	L	95.1	Very high	95.4	Very high	21 Å²	21	57.8 Å²	57.8	11%	0.11	29%	0.292	C	S	.	.	H	α-helix	trans	-66.3	-36.5	175.9	-69.7	172.8	0	0	0	111.7	C42 E43 Q47 T48 T49 L171 W175	C42-L45 WeakPolarHBondContact O-CB 3.3Å; C42-L45 PolarHBondContact O-N 2.89Å; C42-L45 VanDerWaalsContact O-N 3.16Å; E43-L45 VanDerWaalsContact C-N 3.29Å; E43-L45 PolarHBondContact O-N 3.06Å; L45-Q47 VanDerWaalsContact C-N 3.26Å; L45-Q47 PolarHBondContact O-N 2.49Å; L45-T48 PolarHBondContact O-N 3.38Å; L45-T49 WeakPolarHBondContact O-CB 3.28Å; L45-T49 PolarHBondContact O-N 3.02Å; L45-T49 PolarHBondContact O-OG1 3.4Å; L45-L171 HydrophobicContact CB-CD2 4.28Å; L45-W175 HydrophobicContact CD1-CB 3.57Å; L45-W175 HydrophobicContact CD1-CG 4.11Å
46	R	95.1	Very high	95.4	Very high	50 Å²	50	53 Å²	53	19%	0.189	27%	0.27	C	S	.	.	H	α-helix	trans	-57.7	-42.9	175.5	-175.2	-177.5	-63.4	-81.9	-11.5	110.9	C42 E43 E44 K51 N168 L171	C42-R46 PolarHBondContact O-N 3.45Å; E43-R46 VanDerWaalsContact O-CB 3.32Å; E43-R46 WeakPolarHBondContact O-CB 3.39Å; E43-R46 PolarHBondContact O-N 3Å; E43-R46 VanDerWaalsContact O-N 3.12Å; E43-R46 IonicContact OE2-NE 3.28Å; E44-R46 VanDerWaalsContact C-N 3.33Å; E44-R46 PolarHBondContact O-N 3.1Å; R46-K51 WeakPolarHBondContact O-CE 3.38Å; R46-K51 PolarHBondContact O-NZ 3.2Å; R46-N168 PolarHBondContact NH1-OD1 3.05Å; R46-N168 PolarHBondContact NH2-OD1 3.34Å; R46-L171 HydrophobicContact CB-CD1 3.75Å; R46-L171 HydrophobicContact CG-CD1 4.09Å
47	Q	94	Very high	95.5	Very high	144 Å²	144	52.1 Å²	52.1	67%	0.673	27%	0.266	S	S	*	.	H	α-helix	trans	-77	-38.5	-176.7	-64.6	173.4	12.9	0	0	112.6	E43 E44 L45	E43-Q47 WeakPolarHBondContact O-CG 3.44Å; E43-Q47 PolarHBondContact O-N 3.05Å; E43-Q47 PolarHBondContact OE1-NE2 2.9Å; E44-Q47 PolarHBondContact O-N 3.42Å; L45-Q47 VanDerWaalsContact C-N 3.26Å; L45-Q47 PolarHBondContact O-N 2.49Å
48	T	94.5	Very high	95.5	Very high	93 Å²	93	55 Å²	55	57%	0.571	28%	0.279	S	S	*	.	H	α-helix	trans	-88.8	-19.6	-174.6	55.5	0	0	0	0	114.2	E44 L45 E50	E44-T48 HydrophobicContact CG-CG2 4.38Å; E44-T48 WeakPolarHBondContact O-CB 3.29Å; E44-T48 WeakPolarHBondContact O-CG2 3.42Å; E44-T48 PolarHBondContact O-N 3.35Å; E44-T48 PolarHBondContact O-OG1 2.94Å; L45-T48 PolarHBondContact O-N 3.38Å; T48-E50 PolarHBondContact O-N 2.89Å
49	T	93.6	Very high	95.5	Very high	19 Å²	19	62 Å²	62	12%	0.117	31%	0.305	C	S	.	.	S	Bend	trans	-73.6	116.3	178.1	-61	0	0	0	0	110.3	L45 K51 L56 F170	L45-T49 WeakPolarHBondContact O-CB 3.28Å; L45-T49 PolarHBondContact O-N 3.02Å; L45-T49 PolarHBondContact O-OG1 3.4Å; T49-K51 WeakPolarHBondContact O-CD 3.41Å; T49-K51 WeakPolarHBondContact O-CE 3.5Å; T49-K51 PolarHBondContact O-N 3.14Å; T49-K51 PolarHBondContact O-NZ 2.6Å; T49-L56 HydrophobicContact CG2-CD2 3.97Å; T49-F170 HydrophobicContact CG2-CE1 4.45Å
50	E	94.5	Very high	95.6	Very high	147 Å²	147	62.6 Å²	62.6	69%	0.687	31%	0.308	S	S	*	.			trans	-53.8	131.2	172.7	-175.2	176.3	-161.8	0	0	111.5	T48 D52 L56	T48-E50 PolarHBondContact O-N 2.89Å; E50-D52 VanDerWaalsContact C-N 3.28Å; E50-D52 HydrophobicContact CG-CB 4.17Å; E50-D52 PolarHBondContact O-N 2.73Å; E50-L56 WeakPolarHBondContact O-CD1 3.46Å
51	K	96.1	Very high	95.8	Very high	85 Å²	85	61.3 Å²	61.3	37%	0.37	30%	0.299	S	S	.	.			trans	-91.7	58.1	-177.5	-52.1	-54.6	-179.3	-161.2	0	111	R46 T49 F158 L162 F167	R46-K51 WeakPolarHBondContact O-CE 3.38Å; R46-K51 PolarHBondContact O-NZ 3.2Å; T49-K51 WeakPolarHBondContact O-CD 3.41Å; T49-K51 WeakPolarHBondContact O-CE 3.5Å; T49-K51 PolarHBondContact O-N 3.14Å; T49-K51 PolarHBondContact O-NZ 2.6Å; K51-F158 WeakPolarHBondContact O-CE1 3.41Å; K51-L162 HydrophobicContact CB-CD1 4.13Å; K51-L162 HydrophobicContact CD-CD1 4.17Å; K51-L162 HydrophobicContact CD-CD2 4.07Å; K51-L162 HydrophobicContact CG-CD1 4.31Å; K51-F167 HydrophobicContact CD-CZ 4.4Å; K51-F167 VanDerWaalsContact NZ-CZ 3.32Å
52	D	97.8	Very high	96	Very high	66 Å²	66	56.8 Å²	56.8	35%	0.353	28%	0.275	S	S	.	.			trans	-98.2	124.5	176.7	175.3	-113.7	0	0	0	110.8	E50 S54 S55 L56	E50-D52 VanDerWaalsContact C-N 3.28Å; E50-D52 HydrophobicContact CG-CB 4.17Å; E50-D52 PolarHBondContact O-N 2.73Å; D52-S54 PolarHBondContact OD1-N 3.33Å; D52-S55 PolarHBondContact O-N 2.9Å; D52-S55 WeakPolarHBondContact OD1-CB 3.5Å; D52-S55 PolarHBondContact OD1-N 3.31Å; D52-L56 WeakPolarHBondContact O-CB 3.36Å; D52-L56 WeakPolarHBondContact O-CG 3.29Å; D52-L56 PolarHBondContact O-N 2.9Å
53	Y	98.2	Very high	96.1	Very high	20 Å²	20	56.8 Å²	56.8	8%	0.078	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-47.3	-177.5	168.1	-99.1	0	0	0	111.7	S55 L56 C57 E58 F67 H150 L153 S154 F158	Y53-S55 VanDerWaalsContact C-N 3.34Å; Y53-S55 PolarHBondContact O-N 3.35Å; Y53-L56 PolarHBondContact O-N 2.88Å; Y53-C57 HydrophobicContact CD2-CB 3.84Å; Y53-C57 HydrophobicContact CE2-CB 3.73Å; Y53-C57 WeakPolarHBondContact O-CA 3.24Å; Y53-C57 WeakPolarHBondContact O-CB 3.15Å; Y53-C57 PolarHBondContact O-N 3.08Å; Y53-E58 HydrophobicContact CE1-CG 4.02Å; Y53-F67 AromaticContact CE2-CE1 3.92Å; Y53-F67 HydrophobicContact CE2-CE1 3.92Å; Y53-F67 AromaticContact CE2-CZ 3.93Å; Y53-F67 HydrophobicContact CE2-CZ 3.93Å; Y53-H150 HydrophobicContact CE1-CB 4.32Å; Y53-H150 AromaticContact CE1-ND1 3.69Å; Y53-H150 AromaticContact CZ-ND1 3.83Å; Y53-H150 PolarHBondContact OH-ND1 2.96Å; Y53-L153 HydrophobicContact CE2-CB 4.01Å; Y53-L153 WeakPolarHBondContact OH-CB 3.41Å; Y53-S154 VanDerWaalsContact CG-CB 3.46Å; Y53-F158 HydrophobicContact CD2-CB 4.1Å; Y53-F158 AromaticContact CD2-CD2 3.92Å; Y53-F158 HydrophobicContact CD2-CD2 3.92Å; Y53-F158 AromaticContact CD2-CG 3.99Å; Y53-F158 HydrophobicContact CD2-CG 3.99Å
54	S	96.9	Very high	96.4	Very high	43 Å²	43	58.7 Å²	58.7	30%	0.301	28%	0.279	S	S	.	.	I	π-helix	trans	-65.5	-41	-176.1	-167.9	0	0	0	0	111.1	D52 E58 R59	D52-S54 PolarHBondContact OD1-N 3.33Å; S54-E58 WeakPolarHBondContact CA-OE2 3.15Å; S54-E58 WeakPolarHBondContact CB-OE2 3.5Å; S54-E58 VanDerWaalsContact O-CB 3.32Å; S54-E58 WeakPolarHBondContact O-CB 3.35Å; S54-E58 PolarHBondContact O-N 3.22Å; S54-E58 PolarHBondContact OG-OE2 3.48Å; S54-R59 WeakPolarHBondContact O-CG 3.49Å; S54-R59 PolarHBondContact O-N 3.23Å
55	S	96.2	Very high	96.6	Very high	29 Å²	29	54.2 Å²	54.2	20%	0.203	26%	0.26	C	S	.	.	I	π-helix	trans	-63.1	-49.7	175.1	-178.3	0	0	0	0	112.8	D52 Y53 Q60	D52-S55 PolarHBondContact O-N 2.9Å; D52-S55 WeakPolarHBondContact OD1-CB 3.5Å; D52-S55 PolarHBondContact OD1-N 3.31Å; Y53-S55 VanDerWaalsContact C-N 3.34Å; Y53-S55 PolarHBondContact O-N 3.35Å; S55-Q60 WeakPolarHBondContact O-CB 3.27Å; S55-Q60 WeakPolarHBondContact O-CG 3.34Å; S55-Q60 PolarHBondContact O-N 2.87Å; S55-Q60 VanDerWaalsContact O-N 3.17Å; S55-Q60 PolarHBondContact O-NE2 3.49Å; S55-Q60 PolarHBondContact OG-NE2 3.3Å
56	L	97.8	Very high	96.8	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	26%	0.255	C	S	.	.	I	π-helix	trans	-81.8	-37.4	-171.9	-67.5	177.3	0	0	0	113.4	T49 E50 D52 Y53 G63 R64 F158 L162 F167 F170	T49-L56 HydrophobicContact CG2-CD2 3.97Å; E50-L56 WeakPolarHBondContact O-CD1 3.46Å; D52-L56 WeakPolarHBondContact O-CB 3.36Å; D52-L56 WeakPolarHBondContact O-CG 3.29Å; D52-L56 PolarHBondContact O-N 2.9Å; Y53-L56 PolarHBondContact O-N 2.88Å; L56-G63 CarbonylContact O-C 3.55Å; L56-G63 WeakPolarHBondContact O-CA 3.41Å; L56-R64 PolarHBondContact O-N 3.45Å; L56-F158 HydrophobicContact CB-CE2 4.39Å; L56-F158 HydrophobicContact CD1-CE2 4.24Å; L56-F158 HydrophobicContact CD1-CZ 3.99Å; L56-L162 HydrophobicContact CD1-CD2 4.25Å; L56-F167 HydrophobicContact CD1-CE2 4.12Å; L56-F170 HydrophobicContact CD2-CD1 4.46Å; L56-F170 HydrophobicContact CD2-CE1 3.5Å; L56-F170 VanDerWaalsContact CD2-CE1 3.5Å; L56-F170 HydrophobicContact CD2-CE2 4.43Å; L56-F170 HydrophobicContact CD2-CZ 3.47Å; L56-F170 VanDerWaalsContact CD2-CZ 3.47Å
57	C	98.2	Very high	96.9	Very high	4 Å²	4	51.1 Å²	51.1	3%	0.027	25%	0.247	C	C	.	.	I	π-helix	trans	-108.8	-12.6	-169	-56.5	0	0	0	0	113.7	Y53 R64 F67	Y53-C57 HydrophobicContact CD2-CB 3.84Å; Y53-C57 HydrophobicContact CE2-CB 3.73Å; Y53-C57 WeakPolarHBondContact O-CA 3.24Å; Y53-C57 WeakPolarHBondContact O-CB 3.15Å; Y53-C57 PolarHBondContact O-N 3.08Å; C57-R64 VanDerWaalsContact O-CA 3.24Å; C57-R64 WeakPolarHBondContact O-CA 3.48Å; C57-R64 WeakPolarHBondContact O-CB 3.44Å; C57-R64 VanDerWaalsContact O-CG 3.29Å; C57-R64 WeakPolarHBondContact O-CG 3.21Å; C57-F67 HydrophobicContact CB-CB 4.04Å; C57-F67 HydrophobicContact CB-CD1 3.84Å; C57-F67 HydrophobicContact CB-CD2 4.35Å; C57-F67 HydrophobicContact CB-CE1 4.4Å; C57-F67 HydrophobicContact CB-CG 3.81Å
58	E	95.4	Very high	97.1	Very high	68 Å²	68	46.2 Å²	46.2	32%	0.318	22%	0.222	S	C	.	.	I	π-helix	trans	-117.7	-55	178.9	-52.1	-172	94.9	0	0	112.6	Y53 S54 H150	Y53-E58 HydrophobicContact CE1-CG 4.02Å; S54-E58 WeakPolarHBondContact CA-OE2 3.15Å; S54-E58 WeakPolarHBondContact CB-OE2 3.5Å; S54-E58 VanDerWaalsContact O-CB 3.32Å; S54-E58 WeakPolarHBondContact O-CB 3.35Å; S54-E58 PolarHBondContact O-N 3.22Å; S54-E58 PolarHBondContact OG-OE2 3.48Å; E58-H150 IonicContact OE1-CE1 3.95Å; E58-H150 PolarHBondContact OE1-CE1 3.03Å; E58-H150 IonicContact OE1-CG 2.7Å; E58-H150 IonicContact OE1-ND1 3.72Å; E58-H150 PolarHBondContact OE1-ND1 3.4Å; E58-H150 IonicContact OE1-NE2 2.91Å; E58-H150 PolarHBondContact OE1-NE2 2.77Å
59	R	95.2	Very high	97.2	Very high	155 Å²	155	44.5 Å²	44.5	59%	0.585	21%	0.208	S	C	*	.	I	π-helix	trans	-77.8	-38.8	-171.4	-66	178.4	66.1	-165.1	1.3	113.2	S54 P61	S54-R59 WeakPolarHBondContact O-CG 3.49Å; S54-R59 PolarHBondContact O-N 3.23Å; R59-P61 WeakPolarHBondContact O-CD 3.48Å
60	Q	97.6	Very high	97.4	Very high	14 Å²	14	44.3 Å²	44.3	7%	0.065	21%	0.205	C	C	.	.	S	Bend	trans	-82.6	114.1	179.1	-79.7	-179	85	0	0	110.7	S55 I62 G63 R64 S508 Q512	S55-Q60 WeakPolarHBondContact O-CB 3.27Å; S55-Q60 WeakPolarHBondContact O-CG 3.34Å; S55-Q60 PolarHBondContact O-N 2.87Å; S55-Q60 VanDerWaalsContact O-N 3.17Å; S55-Q60 PolarHBondContact O-NE2 3.49Å; S55-Q60 PolarHBondContact OG-NE2 3.3Å; Q60-I62 PolarHBondContact O-N 3.09Å; Q60-G63 PolarHBondContact O-N 3.19Å; Q60-G63 VanDerWaalsContact O-N 3.13Å; Q60-R64 PolarHBondContact O-N 2.98Å; Q60-S508 PolarHBondContact OE1-OG 3.27Å; Q60-Q512 VanDerWaalsContact C-OE1 3.32Å; Q60-Q512 VanDerWaalsContact OE1-NE2 3.08Å
61	P	98.1	Very high	97.6	Very high	18 Å²	18	37.3 Å²	37.3	12%	0.117	17%	0.173	C	C	.	.	H	α-helix	trans	-56.4	-45.6	-172.5	-27	34	0	0	0	114.8	R59 L65 I509 Q512 N513 I516	R59-P61 WeakPolarHBondContact O-CD 3.48Å; P61-L65 WeakPolarHBondContact O-CG 3.36Å; P61-L65 PolarHBondContact O-N 3.28Å; P61-L65 VanDerWaalsContact O-N 3.08Å; P61-I509 HydrophobicContact CG-CG2 4.11Å; P61-Q512 HydrophobicContact CB-CB 4.08Å; P61-Q512 HydrophobicContact CG-CB 4.05Å; P61-Q512 VanDerWaalsContact N-OE1 3.17Å; P61-N513 WeakPolarHBondContact CB-OD1 3.48Å; P61-N513 WeakPolarHBondContact CG-OD1 3.44Å; P61-I516 HydrophobicContact CB-CD1 3.51Å
62	I	98.7	Very high	97.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-69.5	-39.6	178.8	-74.2	179.1	0	0	0	110.6	Q60 L65 L66 W173 W511 Q512 M515 I516 F521	Q60-I62 PolarHBondContact O-N 3.09Å; I62-L65 PolarHBondContact O-N 3.07Å; I62-L66 HydrophobicContact CG2-CD1 3.64Å; I62-L66 HydrophobicContact CG2-CG 4.3Å; I62-L66 WeakPolarHBondContact O-CB 3.32Å; I62-L66 WeakPolarHBondContact O-CG 3.34Å; I62-L66 PolarHBondContact O-N 3.49Å; I62-W173 HydrophobicContact CD1-CB 4.48Å; I62-W173 HydrophobicContact CD1-CD2 3.86Å; I62-W173 HydrophobicContact CD1-CE3 3.78Å; I62-W173 HydrophobicContact CD1-CG 4.19Å; I62-W173 HydrophobicContact CD1-CZ3 4.34Å; I62-W173 HydrophobicContact CG2-CB 4.04Å; I62-W173 HydrophobicContact CG2-CD2 4.43Å; I62-W173 HydrophobicContact CG2-CG 3.83Å; I62-W511 HydrophobicContact CD1-CZ3 4.21Å; I62-Q512 HydrophobicContact CB-CB 4.36Å; I62-Q512 HydrophobicContact CB-CG 4.14Å; I62-Q512 HydrophobicContact CD1-CB 4.08Å; I62-Q512 HydrophobicContact CD1-CG 3.92Å; I62-Q512 HydrophobicContact CG1-CB 3.9Å; I62-Q512 HydrophobicContact CG1-CG 4.03Å; I62-M515 HydrophobicContact CD1-CB 4.05Å; I62-M515 HydrophobicContact CD1-CG 4.35Å; I62-I516 HydrophobicContact CG1-CD1 4.06Å; I62-I516 HydrophobicContact CG1-CG1 4.17Å; I62-F521 HydrophobicContact CB-CE2 4.45Å; I62-F521 HydrophobicContact CD1-CD2 3.99Å; I62-F521 HydrophobicContact CG1-CD2 3.86Å; I62-F521 HydrophobicContact CG1-CE2 4.22Å; I62-F521 HydrophobicContact CG2-CD2 4.16Å; I62-F521 HydrophobicContact CG2-CE2 3.76Å
63	G	98.5	Very high	97.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-42.6	176.8	0	0	0	0	0	112.4	L56 Q60 L65 L66 F67	L56-G63 CarbonylContact O-C 3.55Å; L56-G63 WeakPolarHBondContact O-CA 3.41Å; Q60-G63 PolarHBondContact O-N 3.19Å; Q60-G63 VanDerWaalsContact O-N 3.13Å; G63-L65 PolarHBondContact O-N 3.38Å; G63-L66 PolarHBondContact O-N 2.91Å; G63-F67 WeakPolarHBondContact O-CB 3.34Å; G63-F67 PolarHBondContact O-N 3.26Å
64	R	98.4	Very high	97.3	Very high	105 Å²	105	39.7 Å²	39.7	40%	0.396	19%	0.189	S	C	.	.	H	α-helix	trans	-58.7	-43.9	171.6	-178.6	171.7	-178.9	-101.2	3.7	112.4	L56 C57 Q60 R68	L56-R64 PolarHBondContact O-N 3.45Å; C57-R64 VanDerWaalsContact O-CA 3.24Å; C57-R64 WeakPolarHBondContact O-CA 3.48Å; C57-R64 WeakPolarHBondContact O-CB 3.44Å; C57-R64 VanDerWaalsContact O-CG 3.29Å; C57-R64 WeakPolarHBondContact O-CG 3.21Å; Q60-R64 PolarHBondContact O-N 2.98Å; R64-R68 WeakPolarHBondContact O-CB 3.23Å; R64-R68 VanDerWaalsContact O-CG 3.22Å; R64-R68 WeakPolarHBondContact O-CG 3.17Å; R64-R68 PolarHBondContact O-N 3.33Å
65	L	98.5	Very high	97.2	Very high	56 Å²	56	40.8 Å²	40.8	29%	0.293	20%	0.195	S	C	.	.	H	α-helix	trans	-65.6	-43.5	177.5	-72.3	177.2	0	0	0	112.3	P61 I62 G63 R68 Q69 I516 F521	P61-L65 WeakPolarHBondContact O-CG 3.36Å; P61-L65 PolarHBondContact O-N 3.28Å; P61-L65 VanDerWaalsContact O-N 3.08Å; I62-L65 PolarHBondContact O-N 3.07Å; G63-L65 PolarHBondContact O-N 3.38Å; L65-R68 PolarHBondContact O-N 2.84Å; L65-Q69 WeakPolarHBondContact O-CG 3.31Å; L65-Q69 PolarHBondContact O-N 3.14Å; L65-I516 HydrophobicContact CD1-CD1 3.52Å; L65-I516 HydrophobicContact CD1-CG1 3.79Å; L65-I516 HydrophobicContact CD1-CG2 4.4Å; L65-F521 HydrophobicContact CB-CE1 4.15Å; L65-F521 HydrophobicContact CB-CZ 4.07Å; L65-F521 HydrophobicContact CD1-CD1 3.96Å; L65-F521 HydrophobicContact CD1-CE1 3.71Å; L65-F521 HydrophobicContact CD1-CZ 4.27Å
66	L	98.6	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68	-39.2	178.6	-73.5	167	0	0	0	112.2	I62 G63 R68 Q69 F70 Y161 R169 F170 F521 F527	I62-L66 HydrophobicContact CG2-CD1 3.64Å; I62-L66 HydrophobicContact CG2-CG 4.3Å; I62-L66 WeakPolarHBondContact O-CB 3.32Å; I62-L66 WeakPolarHBondContact O-CG 3.34Å; I62-L66 PolarHBondContact O-N 3.49Å; G63-L66 PolarHBondContact O-N 2.91Å; L66-R68 VanDerWaalsContact C-N 3.31Å; L66-R68 PolarHBondContact O-N 3.46Å; L66-Q69 PolarHBondContact O-N 3.4Å; L66-F70 PolarHBondContact O-N 2.88Å; L66-Y161 HydrophobicContact CB-CE2 4.44Å; L66-R169 HydrophobicContact CD1-CG 4.46Å; L66-R169 HydrophobicContact CD2-CB 4.3Å; L66-R169 HydrophobicContact CD2-CG 3.94Å; L66-F170 VanDerWaalsContact CD1-CA 3.47Å; L66-F170 HydrophobicContact CD1-CB 3.62Å; L66-F170 HydrophobicContact CD1-CD2 4.3Å; L66-F170 HydrophobicContact CD1-CG 4.48Å; L66-F521 HydrophobicContact CD2-CZ 4.41Å; L66-F521 HydrophobicContact CG-CE2 4.4Å; L66-F521 HydrophobicContact CG-CZ 4.36Å; L66-F527 HydrophobicContact CD2-CE2 4.2Å; L66-F527 HydrophobicContact CD2-CZ 4.19Å
67	F	98.6	Very high	97.1	Very high	6 Å²	6	42 Å²	42	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-40.6	172.7	-176.2	-110.9	0	0	0	111.3	Y53 C57 G63 F70 C71 L153 Y161	Y53-F67 AromaticContact CE2-CE1 3.92Å; Y53-F67 HydrophobicContact CE2-CE1 3.92Å; Y53-F67 AromaticContact CE2-CZ 3.93Å; Y53-F67 HydrophobicContact CE2-CZ 3.93Å; C57-F67 HydrophobicContact CB-CB 4.04Å; C57-F67 HydrophobicContact CB-CD1 3.84Å; C57-F67 HydrophobicContact CB-CD2 4.35Å; C57-F67 HydrophobicContact CB-CE1 4.4Å; C57-F67 HydrophobicContact CB-CG 3.81Å; G63-F67 WeakPolarHBondContact O-CB 3.34Å; G63-F67 PolarHBondContact O-N 3.26Å; F67-F70 HydrophobicContact CD2-CD1 4.27Å; F67-F70 HydrophobicContact CE2-CD1 4.21Å; F67-F70 HydrophobicContact CE2-CE1 4.49Å; F67-F70 WeakPolarHBondContact O-CB 3.38Å; F67-F70 PolarHBondContact O-N 3.45Å; F67-C71 PolarHBondContact O-N 2.88Å; F67-C71 PolarHBondContact O-SG 3.29Å; F67-L153 HydrophobicContact CE1-CB 4.49Å; F67-L153 HydrophobicContact CE1-CD1 4.46Å; F67-L153 HydrophobicContact CZ-CB 4.33Å; F67-L153 HydrophobicContact CZ-CD2 4.39Å; F67-Y161 HydrophobicContact CB-CE2 4.28Å; F67-Y161 AromaticContact CD2-CD1 3.88Å; F67-Y161 HydrophobicContact CD2-CD1 3.88Å; F67-Y161 AromaticContact CD2-CD2 3.86Å; F67-Y161 HydrophobicContact CD2-CD2 3.86Å; F67-Y161 HydrophobicContact CD2-CE1 4.4Å; F67-Y161 HydrophobicContact CD2-CE2 4.39Å; F67-Y161 AromaticContact CD2-CG 3.57Å; F67-Y161 HydrophobicContact CD2-CG 3.57Å; F67-Y161 HydrophobicContact CE2-CG 4.14Å
68	R	97.9	Very high	97	Very high	41 Å²	41	46.6 Å²	46.6	16%	0.155	22%	0.215	C	C	.	.	H	α-helix	trans	-65.6	-42.8	175.2	-74.6	172.1	167.8	-104.8	-3.7	112.7	R64 L65 L66 F70 C71 D72 V81 D85	R64-R68 WeakPolarHBondContact O-CB 3.23Å; R64-R68 VanDerWaalsContact O-CG 3.22Å; R64-R68 WeakPolarHBondContact O-CG 3.17Å; R64-R68 PolarHBondContact O-N 3.33Å; L65-R68 PolarHBondContact O-N 2.84Å; L66-R68 VanDerWaalsContact C-N 3.31Å; L66-R68 PolarHBondContact O-N 3.46Å; R68-F70 VanDerWaalsContact C-N 3.27Å; R68-F70 PolarHBondContact O-N 2.58Å; R68-C71 PolarHBondContact O-N 3.19Å; R68-C71 VanDerWaalsContact O-N 3.14Å; R68-D72 PolarHBondContact O-N 3.26Å; R68-V81 HydrophobicContact CG-CG1 3.97Å; R68-D85 IonicContact CZ-OD1 3.33Å; R68-D85 IonicContact CZ-OD2 2.88Å; R68-D85 IonicContact NH1-OD1 3.43Å; R68-D85 PolarHBondContact NH1-OD1 2.88Å; R68-D85 IonicContact NH1-OD2 3.9Å; R68-D85 PolarHBondContact NH1-OD2 3.11Å; R68-D85 IonicContact NH2-OD1 2.74Å; R68-D85 PolarHBondContact NH2-OD1 3.38Å; R68-D85 IonicContact NH2-OD2 3.2Å
69	Q	97	Very high	97.1	Very high	58 Å²	58	46.6 Å²	46.6	27%	0.271	21%	0.211	S	C	.	.	H	α-helix	trans	-58.7	-40	172.8	-73.5	176.1	-8.9	0	0	111.6	L65 L66 D72 Y166 N525	L65-Q69 WeakPolarHBondContact O-CG 3.31Å; L65-Q69 PolarHBondContact O-N 3.14Å; L66-Q69 PolarHBondContact O-N 3.4Å; Q69-D72 PolarHBondContact O-N 2.99Å; Q69-Y166 HydrophobicContact CB-CD1 3.92Å; Q69-Y166 HydrophobicContact CB-CE1 3.73Å; Q69-N525 PolarHBondContact NE2-ND2 3.16Å; Q69-N525 PolarHBondContact OE1-ND2 3.37Å; Q69-N525 VanDerWaalsContact OE1-ND2 3.11Å
70	F	97.4	Very high	97.2	Very high	14 Å²	14	39.2 Å²	39.2	6%	0.061	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-50.1	171.4	165.3	-100.1	0	0	0	111.9	L66 F67 R68 D72 T73 L77 P157 D160 Y161 Y166	L66-F70 PolarHBondContact O-N 2.88Å; F67-F70 HydrophobicContact CD2-CD1 4.27Å; F67-F70 HydrophobicContact CE2-CD1 4.21Å; F67-F70 HydrophobicContact CE2-CE1 4.49Å; F67-F70 WeakPolarHBondContact O-CB 3.38Å; F67-F70 PolarHBondContact O-N 3.45Å; R68-F70 VanDerWaalsContact C-N 3.27Å; R68-F70 PolarHBondContact O-N 2.58Å; F70-D72 PolarHBondContact O-N 3Å; F70-T73 WeakPolarHBondContact O-CB 3.48Å; F70-T73 PolarHBondContact O-N 2.72Å; F70-T73 VanDerWaalsContact O-N 3.12Å; F70-T73 PolarHBondContact O-OG1 2.88Å; F70-L77 HydrophobicContact CD1-CD1 4.37Å; F70-L77 HydrophobicContact CE1-CD1 3.72Å; F70-L77 HydrophobicContact CZ-CD1 4.34Å; F70-P157 WeakPolarHBondContact CE1-O 3.42Å; F70-D160 HydrophobicContact CE2-CB 4.47Å; F70-D160 HydrophobicContact CZ-CB 3.71Å; F70-Y161 HydrophobicContact CB-CD2 3.88Å; F70-Y161 HydrophobicContact CD1-CD2 4.17Å; F70-Y161 HydrophobicContact CD1-CG 4.43Å; F70-Y161 AromaticContact CG-CD2 3.97Å; F70-Y161 HydrophobicContact CG-CD2 3.97Å; F70-Y166 HydrophobicContact CB-CD2 3.71Å; F70-Y166 HydrophobicContact CB-CE2 4.21Å; F70-Y166 HydrophobicContact CB-CG 3.89Å; F70-Y166 AromaticContact CD2-CD2 3.92Å; F70-Y166 HydrophobicContact CD2-CD2 3.92Å; F70-Y166 HydrophobicContact CD2-CE2 4.3Å; F70-Y166 HydrophobicContact CG-CD2 4.32Å
71	C	97.6	Very high	97.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.5	-33.5	178.4	-68	0	0	0	0	112.8	F67 R68 T73 R74 L77 R78 V81	F67-C71 PolarHBondContact O-N 2.88Å; F67-C71 PolarHBondContact O-SG 3.29Å; R68-C71 PolarHBondContact O-N 3.19Å; R68-C71 VanDerWaalsContact O-N 3.14Å; C71-T73 PolarHBondContact O-N 2.92Å; C71-R74 PolarHBondContact O-N 3.26Å; C71-L77 HydrophobicContact CB-CB 3.73Å; C71-R78 PolarHBondContact O-N 2.65Å; C71-V81 HydrophobicContact CB-CG2 3.76Å
72	D	95.8	Very high	97.1	Very high	81 Å²	81	42.3 Å²	42.3	43%	0.433	20%	0.196	S	C	.	.	H	α-helix	trans	-64.1	-22.6	179.2	-79	-30.2	0	0	0	113.5	R68 Q69 F70 R74 R78	R68-D72 PolarHBondContact O-N 3.26Å; Q69-D72 PolarHBondContact O-N 2.99Å; F70-D72 PolarHBondContact O-N 3Å; D72-R74 PolarHBondContact O-N 3.21Å; D72-R78 WeakPolarHBondContact OD1-CG 3.29Å
73	T	94.7	Very high	97	Very high	79 Å²	79	42.3 Å²	42.3	49%	0.485	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.8	175	70.7	0	0	0	0	113.3	F70 C71 Y166	F70-T73 WeakPolarHBondContact O-CB 3.48Å; F70-T73 PolarHBondContact O-N 2.72Å; F70-T73 VanDerWaalsContact O-N 3.12Å; F70-T73 PolarHBondContact O-OG1 2.88Å; C71-T73 PolarHBondContact O-N 2.92Å; T73-Y166 HydrophobicContact CG2-CE2 4.19Å; T73-Y166 VanDerWaalsContact CG2-OH 3.26Å; T73-Y166 WeakPolarHBondContact CG2-OH 3.5Å
74	R	95.4	Very high	97	Very high	62 Å²	62	43.2 Å²	43.2	23%	0.234	20%	0.2	C	C	.	.	S	Bend	trans	-122.9	111.4	-172.8	-73.1	174.7	60.4	175.5	3.1	110.3	C71 D72 E76 L77 R78 D160	C71-R74 PolarHBondContact O-N 3.26Å; D72-R74 PolarHBondContact O-N 3.21Å; R74-E76 IonicContact CZ-OE1 3.94Å; R74-E76 VanDerWaalsContact CZ-OE1 3.24Å; R74-E76 IonicContact NE-OE1 2.7Å; R74-E76 PolarHBondContact NE-OE1 3.28Å; R74-E76 IonicContact NH2-OE1 3.71Å; R74-E76 PolarHBondContact NH2-OE1 2.73Å; R74-E76 PolarHBondContact O-N 2.97Å; R74-E76 VanDerWaalsContact O-N 3.11Å; R74-L77 HydrophobicContact CB-CB 4.2Å; R74-L77 HydrophobicContact CB-CD1 4.08Å; R74-L77 HydrophobicContact CB-CG 3.94Å; R74-L77 PolarHBondContact O-N 2.5Å; R74-L77 VanDerWaalsContact O-N 3.11Å; R74-R78 WeakPolarHBondContact O-CB 3.43Å; R74-R78 PolarHBondContact O-N 3.49Å; R74-D160 IonicContact CZ-OD2 2.69Å; R74-D160 IonicContact NH1-OD2 3.89Å; R74-D160 PolarHBondContact NH1-OD2 3.15Å; R74-D160 IonicContact NH2-OD2 3.54Å
75	P	95.2	Very high	96.9	Very high	66 Å²	66	41.2 Å²	41.2	43%	0.429	20%	0.198	S	C	.	.	H	α-helix	trans	-53.2	-36.6	-173.4	-28.8	35.5	0	0	0	114.7	R79	P75-R79 WeakPolarHBondContact O-CG 3.45Å; P75-R79 PolarHBondContact O-N 3.24Å
76	E	95	Very high	96.8	Very high	55 Å²	55	39.2 Å²	39.2	26%	0.257	19%	0.189	S	C	.	.	H	α-helix	trans	-65.7	-48	177.7	71.8	-73.9	-175.9	0	0	112.5	R74 R78 R79 C80	R74-E76 IonicContact CZ-OE1 3.94Å; R74-E76 VanDerWaalsContact CZ-OE1 3.24Å; R74-E76 IonicContact NE-OE1 2.7Å; R74-E76 PolarHBondContact NE-OE1 3.28Å; R74-E76 IonicContact NH2-OE1 3.71Å; R74-E76 PolarHBondContact NH2-OE1 2.73Å; R74-E76 PolarHBondContact O-N 2.97Å; R74-E76 VanDerWaalsContact O-N 3.11Å; E76-R78 PolarHBondContact O-N 2.91Å; E76-R79 PolarHBondContact O-N 2.81Å; E76-C80 PolarHBondContact O-N 2.9Å
77	L	97.3	Very high	96.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.9	-38.8	179.5	-56.2	-171.9	0	0	0	111.4	F70 C71 R74 R79 C80 V81 Y152 L153 P157	F70-L77 HydrophobicContact CD1-CD1 4.37Å; F70-L77 HydrophobicContact CE1-CD1 3.72Å; F70-L77 HydrophobicContact CZ-CD1 4.34Å; C71-L77 HydrophobicContact CB-CB 3.73Å; R74-L77 HydrophobicContact CB-CB 4.2Å; R74-L77 HydrophobicContact CB-CD1 4.08Å; R74-L77 HydrophobicContact CB-CG 3.94Å; R74-L77 PolarHBondContact O-N 2.5Å; R74-L77 VanDerWaalsContact O-N 3.11Å; L77-R79 VanDerWaalsContact C-N 3.26Å; L77-R79 PolarHBondContact O-N 3.17Å; L77-C80 WeakPolarHBondContact O-CB 3.45Å; L77-C80 PolarHBondContact O-N 2.94Å; L77-C80 VanDerWaalsContact O-N 3.16Å; L77-V81 PolarHBondContact O-N 3.06Å; L77-Y152 HydrophobicContact CD2-CE1 3.85Å; L77-L153 HydrophobicContact CD2-CD2 4.09Å; L77-P157 HydrophobicContact CD1-CB 4.03Å; L77-P157 HydrophobicContact CD2-CB 3.78Å; L77-P157 HydrophobicContact CD2-CG 3.7Å
78	R	96.8	Very high	96.4	Very high	101 Å²	101	41.7 Å²	41.7	38%	0.381	21%	0.211	S	C	.	.	H	α-helix	trans	-57.6	-38.1	176.3	-175.4	173.6	66.2	-173.5	-1.4	112.3	C71 D72 R74 E76 K82	C71-R78 PolarHBondContact O-N 2.65Å; D72-R78 WeakPolarHBondContact OD1-CG 3.29Å; R74-R78 WeakPolarHBondContact O-CB 3.43Å; R74-R78 PolarHBondContact O-N 3.49Å; E76-R78 PolarHBondContact O-N 2.91Å; R78-K82 HydrophobicContact CG-CD 4.4Å; R78-K82 WeakPolarHBondContact O-CB 3.42Å; R78-K82 WeakPolarHBondContact O-CG 3.34Å; R78-K82 PolarHBondContact O-N 3.23Å
79	R	96.4	Very high	96.3	Very high	67 Å²	67	46 Å²	46	25%	0.253	23%	0.232	S	C	.	.	H	α-helix	trans	-65.8	-43.7	176.1	-72.1	-176.9	-61.8	-127.1	3.4	111.7	P75 E76 L77 V81 K82 F83 G115 Y117 V118	P75-R79 WeakPolarHBondContact O-CG 3.45Å; P75-R79 PolarHBondContact O-N 3.24Å; E76-R79 PolarHBondContact O-N 2.81Å; L77-R79 VanDerWaalsContact C-N 3.26Å; L77-R79 PolarHBondContact O-N 3.17Å; R79-V81 PolarHBondContact O-N 2.88Å; R79-K82 PolarHBondContact O-N 3.21Å; R79-F83 WeakPolarHBondContact O-CB 3.3Å; R79-F83 PolarHBondContact O-N 3.02Å; R79-G115 WeakPolarHBondContact CD-O 3.49Å; R79-Y117 WeakPolarHBondContact CD-O 3.21Å; R79-Y117 PolarHBondContact NE-O 2.84Å; R79-V118 HydrophobicContact CB-CG2 4.4Å
80	C	97.3	Very high	96.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.6	-47.7	174.9	-62.8	0	0	0	0	111.7	E76 L77 K82 F83 L84 I149 L153	E76-C80 PolarHBondContact O-N 2.9Å; L77-C80 WeakPolarHBondContact O-CB 3.45Å; L77-C80 PolarHBondContact O-N 2.94Å; L77-C80 VanDerWaalsContact O-N 3.16Å; C80-K82 PolarHBondContact O-N 3.41Å; C80-F83 WeakPolarHBondContact O-CB 3.41Å; C80-F83 PolarHBondContact O-N 2.88Å; C80-L84 WeakPolarHBondContact O-CG 3.44Å; C80-L84 PolarHBondContact O-N 3.2Å; C80-I149 HydrophobicContact CB-CG2 3.78Å; C80-L153 HydrophobicContact CB-CD1 4.45Å; C80-L153 HydrophobicContact CB-CD2 4.33Å
81	V	97.1	Very high	96	Very high	8 Å²	8	45 Å²	45	5%	0.048	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-44.3	178.2	173	0	0	0	0	111.7	R68 C71 L77 R79 F83 L84 D85	R68-V81 HydrophobicContact CG-CG1 3.97Å; C71-V81 HydrophobicContact CB-CG2 3.76Å; L77-V81 PolarHBondContact O-N 3.06Å; R79-V81 PolarHBondContact O-N 2.88Å; V81-F83 VanDerWaalsContact C-N 3.32Å; V81-F83 PolarHBondContact O-N 3.17Å; V81-L84 WeakPolarHBondContact O-CB 3.38Å; V81-L84 PolarHBondContact O-N 3.38Å; V81-D85 PolarHBondContact O-N 3.15Å
82	K	96.6	Very high	95.7	Very high	89 Å²	89	46.2 Å²	46.2	39%	0.387	24%	0.235	S	C	.	.	H	α-helix	trans	-65	-33.9	177.2	-75.8	-176.8	175.2	-172.3	0	113.2	R78 R79 C80 D85 A86 Y109	R78-K82 HydrophobicContact CG-CD 4.4Å; R78-K82 WeakPolarHBondContact O-CB 3.42Å; R78-K82 WeakPolarHBondContact O-CG 3.34Å; R78-K82 PolarHBondContact O-N 3.23Å; R79-K82 PolarHBondContact O-N 3.21Å; C80-K82 PolarHBondContact O-N 3.41Å; K82-D85 PolarHBondContact O-N 3.26Å; K82-A86 WeakPolarHBondContact O-CB 3.38Å; K82-A86 PolarHBondContact O-N 3.38Å; K82-Y109 HydrophobicContact CB-CE1 4.2Å; K82-Y109 PolarHBondContact O-OH 3.42Å; K82-Y109 VanDerWaalsContact O-OH 3.04Å
83	F	97.6	Very high	95.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-48.7	172.1	169.6	-96.1	0	0	0	111.1	R79 C80 V81 D85 A86 V87 L105 Y109 F110 V118 C145 I149	R79-F83 WeakPolarHBondContact O-CB 3.3Å; R79-F83 PolarHBondContact O-N 3.02Å; C80-F83 WeakPolarHBondContact O-CB 3.41Å; C80-F83 PolarHBondContact O-N 2.88Å; V81-F83 VanDerWaalsContact C-N 3.32Å; V81-F83 PolarHBondContact O-N 3.17Å; F83-D85 VanDerWaalsContact C-N 3.27Å; F83-D85 PolarHBondContact O-N 3.25Å; F83-A86 PolarHBondContact O-N 2.9Å; F83-A86 VanDerWaalsContact O-N 3.11Å; F83-V87 HydrophobicContact CD1-CG2 4.32Å; F83-V87 HydrophobicContact CD2-CG2 4.44Å; F83-V87 HydrophobicContact CE1-CG2 3.84Å; F83-V87 HydrophobicContact CE2-CG2 3.99Å; F83-V87 HydrophobicContact CZ-CG2 3.64Å; F83-V87 WeakPolarHBondContact O-CG2 3.46Å; F83-V87 PolarHBondContact O-N 3.17Å; F83-L105 HydrophobicContact CD2-CD2 4.14Å; F83-L105 HydrophobicContact CE2-CD2 3.65Å; F83-Y109 HydrophobicContact CB-CD1 3.9Å; F83-Y109 HydrophobicContact CB-CE1 4.07Å; F83-Y109 HydrophobicContact CB-CG 4.2Å; F83-Y109 HydrophobicContact CD2-CD1 4.29Å; F83-Y109 AromaticContact CD2-CD2 3.97Å; F83-Y109 HydrophobicContact CD2-CD2 3.97Å; F83-Y109 AromaticContact CD2-CG 3.74Å; F83-Y109 HydrophobicContact CD2-CG 3.74Å; F83-Y109 HydrophobicContact CG-CG 4.48Å; F83-F110 AromaticContact CE2-CE1 3.79Å; F83-F110 HydrophobicContact CE2-CE1 3.79Å; F83-F110 HydrophobicContact CE2-CZ 4.34Å; F83-F110 HydrophobicContact CZ-CE1 4.29Å; F83-V118 HydrophobicContact CB-CG2 3.96Å; F83-V118 HydrophobicContact CG-CG2 4.37Å; F83-C145 HydrophobicContact CE1-CB 4.03Å; F83-C145 HydrophobicContact CZ-CB 3.63Å; F83-I149 HydrophobicContact CD1-CG1 3.91Å; F83-I149 HydrophobicContact CE1-CG1 4.02Å
84	L	97.4	Very high	95.4	Very high	19 Å²	19	41.3 Å²	41.3	10%	0.099	21%	0.209	C	C	.	.	H	α-helix	trans	-57.4	-40.8	176.7	-65.7	174.4	0	0	0	112	C80 V81 V87 A88 T146 I149 L153	C80-L84 WeakPolarHBondContact O-CG 3.44Å; C80-L84 PolarHBondContact O-N 3.2Å; V81-L84 WeakPolarHBondContact O-CB 3.38Å; V81-L84 PolarHBondContact O-N 3.38Å; L84-V87 PolarHBondContact O-N 3.03Å; L84-A88 PolarHBondContact O-N 3.07Å; L84-T146 HydrophobicContact CD2-CG2 3.77Å; L84-I149 HydrophobicContact CD1-CG2 3.92Å; L84-I149 HydrophobicContact CD2-CB 4.11Å; L84-I149 HydrophobicContact CD2-CG2 3.93Å; L84-I149 HydrophobicContact CG-CG2 3.87Å; L84-L153 HydrophobicContact CD1-CD1 4.01Å
85	D	96	Very high	95	Very high	63 Å²	63	42.8 Å²	42.8	34%	0.337	22%	0.222	S	C	.	.	H	α-helix	trans	-65.3	-40.9	176.5	-67.4	-21.1	0	0	0	112.3	R68 V81 K82 F83 A88 E89	R68-D85 IonicContact CZ-OD1 3.33Å; R68-D85 IonicContact CZ-OD2 2.88Å; R68-D85 IonicContact NH1-OD1 3.43Å; R68-D85 PolarHBondContact NH1-OD1 2.88Å; R68-D85 IonicContact NH1-OD2 3.9Å; R68-D85 PolarHBondContact NH1-OD2 3.11Å; R68-D85 IonicContact NH2-OD1 2.74Å; R68-D85 PolarHBondContact NH2-OD1 3.38Å; R68-D85 IonicContact NH2-OD2 3.2Å; V81-D85 PolarHBondContact O-N 3.15Å; K82-D85 PolarHBondContact O-N 3.26Å; F83-D85 VanDerWaalsContact C-N 3.27Å; F83-D85 PolarHBondContact O-N 3.25Å; D85-A88 PolarHBondContact O-N 2.93Å; D85-E89 PolarHBondContact O-N 3.21Å
86	A	97.1	Very high	94.8	Very high	14 Å²	14	47.7 Å²	47.7	12%	0.116	24%	0.239	C	C	.	.	H	α-helix	trans	-66.1	-37.2	176.7	0	0	0	0	0	112.2	K82 F83 E89 Y90 L105 Y109	K82-A86 WeakPolarHBondContact O-CB 3.38Å; K82-A86 PolarHBondContact O-N 3.38Å; F83-A86 PolarHBondContact O-N 2.9Å; F83-A86 VanDerWaalsContact O-N 3.11Å; A86-E89 PolarHBondContact O-N 2.96Å; A86-Y90 WeakPolarHBondContact O-CB 3.39Å; A86-Y90 PolarHBondContact O-N 3.33Å; A86-L105 HydrophobicContact CB-CD1 4.02Å; A86-L105 HydrophobicContact CB-CG 4.25Å; A86-Y109 HydrophobicContact CB-CD2 4.48Å; A86-Y109 HydrophobicContact CB-CE2 3.57Å
87	V	96.4	Very high	94.7	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.024	25%	0.253	C	S	.	.	H	α-helix	trans	-65.3	-43.4	173.7	175.5	0	0	0	0	110.7	F83 L84 E89 Y90 E91 L105 F142	F83-V87 HydrophobicContact CD1-CG2 4.32Å; F83-V87 HydrophobicContact CD2-CG2 4.44Å; F83-V87 HydrophobicContact CE1-CG2 3.84Å; F83-V87 HydrophobicContact CE2-CG2 3.99Å; F83-V87 HydrophobicContact CZ-CG2 3.64Å; F83-V87 WeakPolarHBondContact O-CG2 3.46Å; F83-V87 PolarHBondContact O-N 3.17Å; L84-V87 PolarHBondContact O-N 3.03Å; V87-E89 VanDerWaalsContact C-N 3.26Å; V87-E89 PolarHBondContact O-N 3.06Å; V87-Y90 WeakPolarHBondContact O-CB 3.47Å; V87-Y90 PolarHBondContact O-N 3.02Å; V87-Y90 VanDerWaalsContact O-N 3.13Å; V87-E91 WeakPolarHBondContact O-CG 3.49Å; V87-E91 PolarHBondContact O-N 3.11Å; V87-L105 HydrophobicContact CG2-CD1 3.87Å; V87-F142 HydrophobicContact CB-CB 4.49Å; V87-F142 HydrophobicContact CG1-CB 3.82Å; V87-F142 HydrophobicContact CG2-CB 3.79Å; V87-F142 HydrophobicContact CG2-CD2 4.48Å; V87-F142 HydrophobicContact CG2-CG 4.21Å
88	A	93.3	Very high	94.6	Very high	55 Å²	55	51.8 Å²	51.8	46%	0.455	26%	0.255	S	S	.	.	H	α-helix	trans	-60.3	-36.6	176.4	0	0	0	0	0	112.3	L84 D85	L84-A88 PolarHBondContact O-N 3.07Å; D85-A88 PolarHBondContact O-N 2.93Å
89	E	94.8	Very high	94.5	Very high	131 Å²	131	51.5 Å²	51.5	61%	0.612	26%	0.257	S	S	*	.	H	α-helix	trans	-68	-41.9	173	-174.3	174.7	-173.5	0	0	112.3	D85 A86 V87 E91 V92 T93	D85-E89 PolarHBondContact O-N 3.21Å; A86-E89 PolarHBondContact O-N 2.96Å; V87-E89 VanDerWaalsContact C-N 3.26Å; V87-E89 PolarHBondContact O-N 3.06Å; E89-E91 VanDerWaalsContact C-N 3.33Å; E89-E91 PolarHBondContact O-N 2.68Å; E89-V92 VanDerWaalsContact O-CG2 3.26Å; E89-V92 WeakPolarHBondContact O-CG2 3.17Å; E89-V92 PolarHBondContact O-N 3.28Å; E89-T93 PolarHBondContact O-N 3.11Å; E89-T93 VanDerWaalsContact O-N 3.1Å; E89-T93 PolarHBondContact O-OG1 2.88Å
90	Y	95.3	Very high	94.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.7	-43.4	175.6	170.1	-89.7	0	0	0	112.3	A86 V87 V92 T93 R98 C101 L133 C138 L141 F142	A86-Y90 WeakPolarHBondContact O-CB 3.39Å; A86-Y90 PolarHBondContact O-N 3.33Å; V87-Y90 WeakPolarHBondContact O-CB 3.47Å; V87-Y90 PolarHBondContact O-N 3.02Å; V87-Y90 VanDerWaalsContact O-N 3.13Å; Y90-V92 PolarHBondContact O-N 2.78Å; Y90-T93 WeakPolarHBondContact O-CB 3.13Å; Y90-T93 PolarHBondContact O-N 3.27Å; Y90-T93 VanDerWaalsContact O-N 3.15Å; Y90-R98 HydrophobicContact CD2-CG 3.83Å; Y90-R98 HydrophobicContact CE1-CG 4.16Å; Y90-R98 HydrophobicContact CE2-CG 3.25Å; Y90-R98 WeakPolarHBondContact CE2-O 3.32Å; Y90-R98 HydrophobicContact CG-CG 4.5Å; Y90-R98 VanDerWaalsContact CZ-CG 3.43Å; Y90-R98 WeakPolarHBondContact OH-CD 3.37Å; Y90-C101 HydrophobicContact CD2-CB 4.42Å; Y90-L133 HydrophobicContact CE2-CD1 4.49Å; Y90-C138 WeakPolarHBondContact CE1-O 3.36Å; Y90-C138 PolarHBondContact OH-O 3.17Å; Y90-L141 HydrophobicContact CE1-CB 4.07Å; Y90-L141 WeakPolarHBondContact OH-CD2 3.44Å; Y90-F142 AromaticContact CD1-CD2 3.77Å; Y90-F142 HydrophobicContact CD1-CD2 3.77Å; Y90-F142 AromaticContact CD1-CE2 3.98Å; Y90-F142 HydrophobicContact CD1-CE2 3.98Å; Y90-F142 HydrophobicContact CD2-CD2 4.5Å; Y90-F142 AromaticContact CD2-CE2 3.9Å; Y90-F142 HydrophobicContact CD2-CE2 3.9Å; Y90-F142 AromaticContact CE1-CD2 3.88Å; Y90-F142 HydrophobicContact CE1-CD2 3.88Å; Y90-F142 AromaticContact CE1-CE2 3.96Å; Y90-F142 HydrophobicContact CE1-CE2 3.96Å; Y90-F142 AromaticContact CE2-CE2 3.85Å; Y90-F142 HydrophobicContact CE2-CE2 3.85Å; Y90-F142 HydrophobicContact CG-CD2 4.1Å; Y90-F142 AromaticContact CG-CE2 3.96Å; Y90-F142 HydrophobicContact CG-CE2 3.96Å; Y90-F142 AromaticContact CZ-CE2 3.9Å
91	E	92.6	Very high	94.5	Very high	52 Å²	52	55.6 Å²	55.6	24%	0.243	28%	0.281	C	S	.	.	H	α-helix	trans	-61.6	-29.8	-177.6	-74.9	-175.2	-167.1	0	0	113.8	V87 E89	V87-E91 WeakPolarHBondContact O-CG 3.49Å; V87-E91 PolarHBondContact O-N 3.11Å; E89-E91 VanDerWaalsContact C-N 3.33Å; E89-E91 PolarHBondContact O-N 2.68Å
92	V	92.4	Very high	94.5	Very high	25 Å²	25	55.2 Å²	55.2	15%	0.152	28%	0.279	C	S	.	.	H	α-helix	trans	-100.7	-3.5	-179.9	-61.3	0	0	0	0	113.3	E89 Y90 R455 A458 M460	E89-V92 VanDerWaalsContact O-CG2 3.26Å; E89-V92 WeakPolarHBondContact O-CG2 3.17Å; E89-V92 PolarHBondContact O-N 3.28Å; Y90-V92 PolarHBondContact O-N 2.78Å; V92-R455 WeakPolarHBondContact O-CG 3.33Å; V92-R455 PolarHBondContact O-NH1 3.22Å; V92-A458 HydrophobicContact CG1-CB 3.8Å; V92-M460 HydrophobicContact CB-CE 4.12Å; V92-M460 HydrophobicContact CB-SD 3.8Å; V92-M460 HydrophobicContact CG1-CE 4.41Å; V92-M460 HydrophobicContact CG1-SD 4.38Å; V92-M460 HydrophobicContact CG2-CE 3.63Å; V92-M460 HydrophobicContact CG2-SD 3.84Å
93	T	92.8	Very high	94.5	Very high	17 Å²	17	53.7 Å²	53.7	10%	0.104	27%	0.273	C	S	.	.	S	Bend	trans	-63.7	135.7	176.6	-66.6	0	0	0	0	110.2	E89 Y90 K97 R98 C101	E89-T93 PolarHBondContact O-N 3.11Å; E89-T93 VanDerWaalsContact O-N 3.1Å; E89-T93 PolarHBondContact O-OG1 2.88Å; Y90-T93 WeakPolarHBondContact O-CB 3.13Å; Y90-T93 PolarHBondContact O-N 3.27Å; Y90-T93 VanDerWaalsContact O-N 3.15Å; T93-K97 HydrophobicContact CG2-CB 3.78Å; T93-R98 HydrophobicContact CG2-CB 4.34Å; T93-R98 PolarHBondContact O-NH2 3.18Å; T93-C101 HydrophobicContact CG2-CB 3.96Å
94	P	89.7	Confident	94.5	Very high	40 Å²	40	58.4 Å²	58.4	26%	0.26	30%	0.295	S	S	.	.			trans	-54	148.8	175.4	-25.9	35.3	0	0	0	112.6	E96 K97 R98	P94-E96 VanDerWaalsContact CB-OE2 3.3Å; P94-E96 WeakPolarHBondContact CB-OE2 3.34Å; P94-E96 PolarHBondContact O-N 3.02Å; P94-K97 PolarHBondContact O-N 2.84Å; P94-R98 PolarHBondContact O-N 3.17Å
95	D	87.9	Confident	94.5	Very high	93 Å²	93	57.8 Å²	57.8	50%	0.497	29%	0.292	S	S	.	.	H	α-helix	trans	-56.6	-37.3	-174.3	-68.8	-6.2	0	0	0	111.7	K97 R98	D95-K97 VanDerWaalsContact C-N 3.28Å; D95-K97 PolarHBondContact O-N 3.14Å; D95-R98 PolarHBondContact O-N 2.97Å; D95-R98 IonicContact OD1-CZ 2.81Å; D95-R98 IonicContact OD1-NH1 3.46Å; D95-R98 PolarHBondContact OD1-NH1 3.05Å; D95-R98 IonicContact OD1-NH2 3.41Å; D95-R98 PolarHBondContact OD1-NH2 3.34Å
96	E	91.1	Very high	94.5	Very high	168 Å²	168	55.3 Å²	55.3	79%	0.785	28%	0.279	S	S	*	.	H	α-helix	trans	-69.3	-25.3	-178.1	-48.8	81.7	-175.9	0	0	113.2	P94	P94-E96 VanDerWaalsContact CB-OE2 3.3Å; P94-E96 WeakPolarHBondContact CB-OE2 3.34Å; P94-E96 PolarHBondContact O-N 3.02Å
97	K	93.8	Very high	94.4	Very high	131 Å²	131	58.9 Å²	58.9	57%	0.57	30%	0.296	S	S	*	.	H	α-helix	trans	-105.1	-10.2	-178.2	-66.3	-171.9	175.8	-171	0	113.3	T93 P94 D95 K99 E100 C101	T93-K97 HydrophobicContact CG2-CB 3.78Å; P94-K97 PolarHBondContact O-N 2.84Å; D95-K97 VanDerWaalsContact C-N 3.28Å; D95-K97 PolarHBondContact O-N 3.14Å; K97-K99 VanDerWaalsContact C-N 3.32Å; K97-K99 PolarHBondContact O-N 3.49Å; K97-E100 PolarHBondContact O-N 3.27Å; K97-C101 PolarHBondContact O-N 3.03Å
98	R	93.7	Very high	94.4	Very high	10 Å²	10	64.1 Å²	64.1	4%	0.038	32%	0.315	C	S	.	.	H	α-helix	trans	-63.5	-37.6	-171.3	-170.5	178.5	-61.6	117.7	11.6	112.5	Y90 T93 P94 D95 C101 G102 A137	Y90-R98 HydrophobicContact CD2-CG 3.83Å; Y90-R98 HydrophobicContact CE1-CG 4.16Å; Y90-R98 HydrophobicContact CE2-CG 3.25Å; Y90-R98 WeakPolarHBondContact CE2-O 3.32Å; Y90-R98 HydrophobicContact CG-CG 4.5Å; Y90-R98 VanDerWaalsContact CZ-CG 3.43Å; Y90-R98 WeakPolarHBondContact OH-CD 3.37Å; T93-R98 HydrophobicContact CG2-CB 4.34Å; T93-R98 PolarHBondContact O-NH2 3.18Å; P94-R98 PolarHBondContact O-N 3.17Å; D95-R98 PolarHBondContact O-N 2.97Å; D95-R98 IonicContact OD1-CZ 2.81Å; D95-R98 IonicContact OD1-NH1 3.46Å; D95-R98 PolarHBondContact OD1-NH1 3.05Å; D95-R98 IonicContact OD1-NH2 3.41Å; D95-R98 PolarHBondContact OD1-NH2 3.34Å; R98-C101 PolarHBondContact O-N 3.24Å; R98-G102 PolarHBondContact O-N 2.93Å; R98-A137 HydrophobicContact CB-CB 4.27Å; R98-A137 VanDerWaalsContact CD-O 3.28Å; R98-A137 WeakPolarHBondContact CD-O 3.42Å; R98-A137 HydrophobicContact CG-CB 4.15Å; R98-A137 PolarHBondContact NH1-O 2.96Å
99	K	95.6	Very high	94.6	Very high	96 Å²	96	62 Å²	62	42%	0.417	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-44.3	178.7	-172.1	171	-179.4	169.5	0	112.1	K97 G102 Q103 Q134 A137	K97-K99 VanDerWaalsContact C-N 3.32Å; K97-K99 PolarHBondContact O-N 3.49Å; K99-G102 PolarHBondContact O-N 3.47Å; K99-Q103 PolarHBondContact O-N 3.1Å; K99-Q134 PolarHBondContact NZ-O 3.34Å; K99-Q134 VanDerWaalsContact NZ-OE1 3.1Å; K99-A137 HydrophobicContact CB-CB 4.09Å
100	E	96.5	Very high	94.7	Very high	129 Å²	129	56.5 Å²	56.5	60%	0.603	27%	0.269	S	S	*	.	H	α-helix	trans	-62.9	-50	176.1	-178.4	-179.7	-164.8	0	0	111.1	K97 G102 Q103 E104	K97-E100 PolarHBondContact O-N 3.27Å; E100-G102 VanDerWaalsContact C-N 3.32Å; E100-G102 PolarHBondContact O-N 3.14Å; E100-Q103 WeakPolarHBondContact O-CB 3.1Å; E100-Q103 PolarHBondContact O-N 3.23Å; E100-Q103 VanDerWaalsContact O-N 3.07Å; E100-E104 PolarHBondContact O-N 3.5Å
101	C	96.6	Very high	94.6	Very high	24 Å²	24	59.7 Å²	59.7	16%	0.162	29%	0.287	C	S	.	.	H	α-helix	trans	-57	-43.6	176.3	177.2	0	0	0	0	112.5	Y90 T93 K97 R98 Q103 E104 L105	Y90-C101 HydrophobicContact CD2-CB 4.42Å; T93-C101 HydrophobicContact CG2-CB 3.96Å; K97-C101 PolarHBondContact O-N 3.03Å; R98-C101 PolarHBondContact O-N 3.24Å; C101-Q103 VanDerWaalsContact C-N 3.31Å; C101-Q103 PolarHBondContact O-N 3.37Å; C101-E104 PolarHBondContact O-N 3.36Å; C101-L105 WeakPolarHBondContact O-CB 3.39Å; C101-L105 PolarHBondContact O-N 3.16Å
102	G	97.2	Very high	94.6	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.8	-37	176.3	0	0	0	0	0	112.7	R98 K99 E100 L105 I106 L133	R98-G102 PolarHBondContact O-N 2.93Å; K99-G102 PolarHBondContact O-N 3.47Å; E100-G102 VanDerWaalsContact C-N 3.32Å; E100-G102 PolarHBondContact O-N 3.14Å; G102-L105 PolarHBondContact O-N 3.36Å; G102-I106 WeakPolarHBondContact O-CG1 3.36Å; G102-I106 PolarHBondContact O-N 2.89Å; G102-L133 VanDerWaalsContact C-CD2 3.43Å
103	Q	97.3	Very high	94.7	Very high	56 Å²	56	70 Å²	70	26%	0.262	34%	0.338	S	S	.	.	H	α-helix	trans	-68.2	-44.5	177.8	-171.8	62.7	57.7	0	0	111	K99 E100 C101 L105 I106 D107 L133	K99-Q103 PolarHBondContact O-N 3.1Å; E100-Q103 WeakPolarHBondContact O-CB 3.1Å; E100-Q103 PolarHBondContact O-N 3.23Å; E100-Q103 VanDerWaalsContact O-N 3.07Å; C101-Q103 VanDerWaalsContact C-N 3.31Å; C101-Q103 PolarHBondContact O-N 3.37Å; Q103-L105 VanDerWaalsContact C-N 3.27Å; Q103-L105 PolarHBondContact O-N 2.93Å; Q103-I106 PolarHBondContact O-N 3.2Å; Q103-D107 PolarHBondContact NE2-OD1 2.79Å; Q103-D107 WeakPolarHBondContact O-CB 3.19Å; Q103-D107 VanDerWaalsContact O-CG 3.24Å; Q103-D107 PolarHBondContact O-N 3.45Å; Q103-L133 HydrophobicContact CB-CD2 4.33Å
104	E	96.7	Very high	94.7	Very high	100 Å²	100	70.4 Å²	70.4	47%	0.467	34%	0.342	S	S	.	.	H	α-helix	trans	-59.5	-39.1	175	-69.3	-172.9	-179.5	0	0	112.4	E100 C101 R108	E100-E104 PolarHBondContact O-N 3.5Å; C101-E104 PolarHBondContact O-N 3.36Å; E104-R108 WeakPolarHBondContact O-CB 3.47Å; E104-R108 PolarHBondContact O-N 2.98Å
105	L	97.1	Very high	94.8	Very high	6 Å²	6	71.5 Å²	71.5	3%	0.031	36%	0.361	C	S	.	.	H	α-helix	trans	-62.9	-48.3	176.9	-170.4	161.1	0	0	0	110.6	F83 A86 V87 C101 G102 Q103 R108 Y109 F142	F83-L105 HydrophobicContact CD2-CD2 4.14Å; F83-L105 HydrophobicContact CE2-CD2 3.65Å; A86-L105 HydrophobicContact CB-CD1 4.02Å; A86-L105 HydrophobicContact CB-CG 4.25Å; V87-L105 HydrophobicContact CG2-CD1 3.87Å; C101-L105 WeakPolarHBondContact O-CB 3.39Å; C101-L105 PolarHBondContact O-N 3.16Å; G102-L105 PolarHBondContact O-N 3.36Å; Q103-L105 VanDerWaalsContact C-N 3.27Å; Q103-L105 PolarHBondContact O-N 2.93Å; L105-R108 PolarHBondContact O-N 2.92Å; L105-Y109 HydrophobicContact CD2-CD2 4.22Å; L105-Y109 HydrophobicContact CG-CD2 4.02Å; L105-Y109 HydrophobicContact CG-CE2 4.44Å; L105-Y109 VanDerWaalsContact O-CD2 3.29Å; L105-Y109 WeakPolarHBondContact O-CD2 3.19Å; L105-Y109 PolarHBondContact O-N 3.35Å; L105-F142 HydrophobicContact CD1-CD2 4.2Å; L105-F142 HydrophobicContact CD1-CE2 4Å; L105-F142 HydrophobicContact CD1-CZ 4.39Å; L105-F142 HydrophobicContact CD2-CD1 4.19Å; L105-F142 HydrophobicContact CD2-CE1 3.8Å; L105-F142 HydrophobicContact CD2-CE2 4.26Å; L105-F142 HydrophobicContact CD2-CZ 3.85Å
106	I	96.4	Very high	95	Very high	11 Å²	11	69.7 Å²	69.7	6%	0.056	35%	0.351	C	S	.	.	H	α-helix	trans	-60.3	-50.1	176.8	-71.5	173.6	0	0	0	110.7	G102 Q103 R108 Y109 F110 T130 L133 F142	G102-I106 WeakPolarHBondContact O-CG1 3.36Å; G102-I106 PolarHBondContact O-N 2.89Å; Q103-I106 PolarHBondContact O-N 3.2Å; I106-R108 PolarHBondContact O-N 2.89Å; I106-Y109 PolarHBondContact O-N 3.31Å; I106-F110 HydrophobicContact CB-CD2 4.31Å; I106-F110 HydrophobicContact CG1-CD2 3.92Å; I106-F110 HydrophobicContact CG1-CE2 4.12Å; I106-F110 HydrophobicContact CG2-CB 4.23Å; I106-F110 HydrophobicContact CG2-CD2 4.08Å; I106-F110 WeakPolarHBondContact O-CA 3.17Å; I106-F110 WeakPolarHBondContact O-CB 3.39Å; I106-F110 PolarHBondContact O-N 2.71Å; I106-T130 HydrophobicContact CD1-CG2 4.42Å; I106-L133 HydrophobicContact CD1-CB 4.37Å; I106-L133 HydrophobicContact CD1-CD2 3.6Å; I106-F142 HydrophobicContact CD1-CE1 4.4Å; I106-F142 HydrophobicContact CD1-CZ 4.33Å; I106-F142 HydrophobicContact CG1-CE1 4.01Å; I106-F142 HydrophobicContact CG1-CZ 4.06Å
107	D	95.9	Very high	95.3	Very high	88 Å²	88	64.7 Å²	64.7	47%	0.471	33%	0.326	S	S	.	.	H	α-helix	trans	-61.4	-33.3	-178.2	-68.3	-13.4	0	0	0	112	Q103 N111	Q103-D107 PolarHBondContact NE2-OD1 2.79Å; Q103-D107 WeakPolarHBondContact O-CB 3.19Å; Q103-D107 VanDerWaalsContact O-CG 3.24Å; Q103-D107 PolarHBondContact O-N 3.45Å; D107-N111 WeakPolarHBondContact O-CB 3.26Å
108	R	96.8	Very high	95.3	Very high	114 Å²	114	58.5 Å²	58.5	43%	0.43	30%	0.299	S	S	.	.	H	α-helix	trans	-80.1	-41.8	-179.4	-172.7	176	-61.4	164	8.2	113.2	E104 L105 I106 S114 N116	E104-R108 WeakPolarHBondContact O-CB 3.47Å; E104-R108 PolarHBondContact O-N 2.98Å; L105-R108 PolarHBondContact O-N 2.92Å; I106-R108 PolarHBondContact O-N 2.89Å; R108-S114 WeakPolarHBondContact O-CB 3.49Å; R108-S114 PolarHBondContact O-OG 3.02Å; R108-N116 HydrophobicContact CG-CB 4.05Å
109	Y	97.1	Very high	95.3	Very high	11 Å²	11	61.2 Å²	61.2	4%	0.043	32%	0.319	C	S	.	.	H	α-helix	trans	-110.4	-23.1	-168	-63.1	-73.9	0	0	0	114.3	K82 F83 A86 L105 I106 N116 Y117 V118	K82-Y109 HydrophobicContact CB-CE1 4.2Å; K82-Y109 PolarHBondContact O-OH 3.42Å; K82-Y109 VanDerWaalsContact O-OH 3.04Å; F83-Y109 HydrophobicContact CB-CD1 3.9Å; F83-Y109 HydrophobicContact CB-CE1 4.07Å; F83-Y109 HydrophobicContact CB-CG 4.2Å; F83-Y109 HydrophobicContact CD2-CD1 4.29Å; F83-Y109 AromaticContact CD2-CD2 3.97Å; F83-Y109 HydrophobicContact CD2-CD2 3.97Å; F83-Y109 AromaticContact CD2-CG 3.74Å; F83-Y109 HydrophobicContact CD2-CG 3.74Å; F83-Y109 HydrophobicContact CG-CG 4.48Å; A86-Y109 HydrophobicContact CB-CD2 4.48Å; A86-Y109 HydrophobicContact CB-CE2 3.57Å; L105-Y109 HydrophobicContact CD2-CD2 4.22Å; L105-Y109 HydrophobicContact CG-CD2 4.02Å; L105-Y109 HydrophobicContact CG-CE2 4.44Å; L105-Y109 VanDerWaalsContact O-CD2 3.29Å; L105-Y109 WeakPolarHBondContact O-CD2 3.19Å; L105-Y109 PolarHBondContact O-N 3.35Å; I106-Y109 PolarHBondContact O-N 3.31Å; Y109-N116 HydrophobicContact CD1-CB 4.06Å; Y109-N116 VanDerWaalsContact CD1-O 3.3Å; Y109-N116 WeakPolarHBondContact CD1-O 3.24Å; Y109-N116 HydrophobicContact CE1-CB 3.99Å; Y109-Y117 WeakPolarHBondContact O-CD2 3.37Å; Y109-V118 HydrophobicContact CD1-CG2 3.85Å; Y109-V118 HydrophobicContact CG-CG2 4.44Å; Y109-V118 PolarHBondContact O-N 3.39Å
110	F	96.2	Very high	95.2	Very high	15 Å²	15	58.8 Å²	58.8	7%	0.066	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-11.3	179.4	-65.7	-3.6	0	0	0	113.4	F83 I106 P112 Y117 V121 M126 C129 F142	F83-F110 AromaticContact CE2-CE1 3.79Å; F83-F110 HydrophobicContact CE2-CE1 3.79Å; F83-F110 HydrophobicContact CE2-CZ 4.34Å; F83-F110 HydrophobicContact CZ-CE1 4.29Å; I106-F110 HydrophobicContact CB-CD2 4.31Å; I106-F110 HydrophobicContact CG1-CD2 3.92Å; I106-F110 HydrophobicContact CG1-CE2 4.12Å; I106-F110 HydrophobicContact CG2-CB 4.23Å; I106-F110 HydrophobicContact CG2-CD2 4.08Å; I106-F110 WeakPolarHBondContact O-CA 3.17Å; I106-F110 WeakPolarHBondContact O-CB 3.39Å; I106-F110 PolarHBondContact O-N 2.71Å; F110-P112 VanDerWaalsContact O-CD 3.29Å; F110-P112 WeakPolarHBondContact O-CD 3.48Å; F110-Y117 WeakPolarHBondContact O-CE2 3.19Å; F110-V121 HydrophobicContact CE1-CG1 4.12Å; F110-V121 HydrophobicContact CZ-CG1 4.36Å; F110-M126 HydrophobicContact CB-CB 4.25Å; F110-M126 HydrophobicContact CB-CE 4.43Å; F110-M126 HydrophobicContact CB-CG 4.1Å; F110-M126 HydrophobicContact CB-SD 3.68Å; F110-M126 HydrophobicContact CD1-CB 4.48Å; F110-M126 HydrophobicContact CD1-CE 3.82Å; F110-M126 HydrophobicContact CD1-CG 3.73Å; F110-M126 HydrophobicContact CD1-SD 3.93Å; F110-M126 HydrophobicContact CD2-CB 3.55Å; F110-M126 HydrophobicContact CD2-CG 3.71Å; F110-M126 HydrophobicContact CD2-SD 4.43Å; F110-M126 HydrophobicContact CE1-CE 4.42Å; F110-M126 HydrophobicContact CE1-CG 4.02Å; F110-M126 HydrophobicContact CE2-CB 3.92Å; F110-M126 HydrophobicContact CE2-CG 3.99Å; F110-M126 HydrophobicContact CG-CB 3.87Å; F110-M126 HydrophobicContact CG-CE 4.29Å; F110-M126 HydrophobicContact CG-CG 3.58Å; F110-M126 HydrophobicContact CG-SD 3.78Å; F110-M126 HydrophobicContact CZ-CG 4.14Å; F110-C129 HydrophobicContact CE2-CB 3.97Å; F110-F142 HydrophobicContact CE2-CE1 4.19Å; F110-F142 HydrophobicContact CZ-CD1 4.23Å; F110-F142 HydrophobicContact CZ-CE1 4.23Å
111	N	94.1	Very high	95	Very high	68 Å²	68	52.8 Å²	52.8	36%	0.364	28%	0.281	S	S	.	.			trans	-79.7	116.7	176.3	-177.7	-7.4	0	0	0	111.3	D107 K113 S114 Y117	D107-N111 WeakPolarHBondContact O-CB 3.26Å; N111-K113 PolarHBondContact O-N 2.92Å; N111-K113 WeakPolarHBondContact OD1-CB 3.5Å; N111-K113 PolarHBondContact OD1-N 2.96Å; N111-S114 WeakPolarHBondContact O-CB 3.3Å; N111-S114 PolarHBondContact O-N 3.35Å; N111-Y117 WeakPolarHBondContact O-CB 3.33Å; N111-Y117 WeakPolarHBondContact O-CD2 3.42Å
112	P	92.9	Very high	94.8	Very high	97 Å²	97	57.9 Å²	57.9	63%	0.63	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.8	180	-23.4	35.2	0	0	0	114.6	F110 Y117	F110-P112 VanDerWaalsContact O-CD 3.29Å; F110-P112 WeakPolarHBondContact O-CD 3.48Å; P112-Y117 HydrophobicContact CB-CD2 4.46Å; P112-Y117 HydrophobicContact CB-CE2 4.34Å; P112-Y117 HydrophobicContact CG-CD2 4.44Å; P112-Y117 HydrophobicContact CG-CE2 3.99Å
113	K	93.2	Very high	94.6	Very high	195 Å²	195	61.1 Å²	61.1	85%	0.848	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-10.8	175.5	-60.2	-179.5	-180	176.5	0	113	N111	N111-K113 PolarHBondContact O-N 2.92Å; N111-K113 WeakPolarHBondContact OD1-CB 3.5Å; N111-K113 PolarHBondContact OD1-N 2.96Å
114	S	93.5	Very high	94.4	Very high	26 Å²	26	61.9 Å²	61.9	18%	0.182	35%	0.346	C	S	.	.	S	Bend	trans	-74.8	137.1	177.9	176.9	0	0	0	0	110.7	R108 N111 N116 Y117	R108-S114 WeakPolarHBondContact O-CB 3.49Å; R108-S114 PolarHBondContact O-OG 3.02Å; N111-S114 WeakPolarHBondContact O-CB 3.3Å; N111-S114 PolarHBondContact O-N 3.35Å; S114-N116 PolarHBondContact O-N 3.12Å; S114-N116 VanDerWaalsContact O-N 3.1Å; S114-N116 PolarHBondContact OG-N 3.36Å; S114-N116 VanDerWaalsContact OG-N 3.09Å; S114-Y117 WeakPolarHBondContact O-CB 3.45Å; S114-Y117 PolarHBondContact O-N 2.9Å; S114-Y117 VanDerWaalsContact O-N 3.08Å
115	G	91.1	Very high	94.2	Very high	64 Å²	64	58.2 Å²	58.2	66%	0.66	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-14.1	170.2	0	0	0	0	0	113.8	R79	R79-G115 WeakPolarHBondContact CD-O 3.49Å
116	N	93.4	Very high	94.1	Very high	55 Å²	55	58.5 Å²	58.5	29%	0.294	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	12.1	176.7	-62.1	-65.3	0	0	0	113.6	R108 Y109 S114 V118	R108-N116 HydrophobicContact CG-CB 4.05Å; Y109-N116 HydrophobicContact CD1-CB 4.06Å; Y109-N116 VanDerWaalsContact CD1-O 3.3Å; Y109-N116 WeakPolarHBondContact CD1-O 3.24Å; Y109-N116 HydrophobicContact CE1-CB 3.99Å; S114-N116 PolarHBondContact O-N 3.12Å; S114-N116 VanDerWaalsContact O-N 3.1Å; S114-N116 PolarHBondContact OG-N 3.36Å; S114-N116 VanDerWaalsContact OG-N 3.09Å; N116-V118 PolarHBondContact O-N 2.77Å
117	Y	95.7	Very high	94	Very high	63 Å²	63	61.5 Å²	61.5	25%	0.247	35%	0.349	C	S	.	.			trans	-53.2	132.6	178	180	-114.2	0	0	0	112.4	R79 Y109 F110 N111 P112 S114 M126	R79-Y117 WeakPolarHBondContact CD-O 3.21Å; R79-Y117 PolarHBondContact NE-O 2.84Å; Y109-Y117 WeakPolarHBondContact O-CD2 3.37Å; F110-Y117 WeakPolarHBondContact O-CE2 3.19Å; N111-Y117 WeakPolarHBondContact O-CB 3.33Å; N111-Y117 WeakPolarHBondContact O-CD2 3.42Å; P112-Y117 HydrophobicContact CB-CD2 4.46Å; P112-Y117 HydrophobicContact CB-CE2 4.34Å; P112-Y117 HydrophobicContact CG-CD2 4.44Å; P112-Y117 HydrophobicContact CG-CE2 3.99Å; S114-Y117 WeakPolarHBondContact O-CB 3.45Å; S114-Y117 PolarHBondContact O-N 2.9Å; S114-Y117 VanDerWaalsContact O-N 3.08Å; Y117-M126 HydrophobicContact CE2-CE 3.71Å; Y117-M126 HydrophobicContact CE2-SD 4.14Å
118	V	94.4	Very high	93.9	Very high	0 Å²	0	62 Å²	62	0%	0	35%	0.348	C	S	.	.			trans	-105.7	101.7	179.2	-177.9	0	0	0	0	108.5	R79 F83 Y109 N116 E120 V121 M126 I149	R79-V118 HydrophobicContact CB-CG2 4.4Å; F83-V118 HydrophobicContact CB-CG2 3.96Å; F83-V118 HydrophobicContact CG-CG2 4.37Å; Y109-V118 HydrophobicContact CD1-CG2 3.85Å; Y109-V118 HydrophobicContact CG-CG2 4.44Å; Y109-V118 PolarHBondContact O-N 3.39Å; N116-V118 PolarHBondContact O-N 2.77Å; V118-E120 HydrophobicContact CG1-CB 4.3Å; V118-E120 VanDerWaalsContact CG1-OE2 3.31Å; V118-E120 WeakPolarHBondContact CG1-OE2 3.43Å; V118-E120 PolarHBondContact O-N 3.27Å; V118-V121 HydrophobicContact CG1-CG2 4.11Å; V118-M126 WeakPolarHBondContact O-CE 3.3Å; V118-I149 HydrophobicContact CG1-CD1 3.45Å; V118-I149 VanDerWaalsContact CG1-CD1 3.45Å; V118-I149 HydrophobicContact CG1-CG1 4.47Å
119	S	93.2	Very high	93.8	Very high	68 Å²	68	56.8 Å²	56.8	48%	0.476	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-16.9	-176.4	34	0	0	0	0	114.1	V121	S119-V121 VanDerWaalsContact C-N 3.25Å; S119-V121 PolarHBondContact O-N 3.34Å
120	E	93.8	Very high	93.7	Very high	45 Å²	45	58.4 Å²	58.4	21%	0.21	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-14.3	-174.4	-62.9	63.9	-136.4	0	0	112.1	V118 I149 Y152	V118-E120 HydrophobicContact CG1-CB 4.3Å; V118-E120 VanDerWaalsContact CG1-OE2 3.31Å; V118-E120 WeakPolarHBondContact CG1-OE2 3.43Å; V118-E120 PolarHBondContact O-N 3.27Å; E120-I149 HydrophobicContact CB-CD1 3.65Å; E120-Y152 HydrophobicContact CB-CG 4.39Å; E120-Y152 HydrophobicContact CG-CD1 3.73Å; E120-Y152 HydrophobicContact CG-CD2 3.94Å; E120-Y152 HydrophobicContact CG-CE1 3.86Å; E120-Y152 HydrophobicContact CG-CE2 4.05Å; E120-Y152 HydrophobicContact CG-CG 3.77Å
121	V	92.1	Very high	93.6	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.012	36%	0.364	C	S	.	.	S	Bend	trans	-91.2	129.9	173.1	178.8	0	0	0	0	109	F110 V118 S119 M125 M126 C145 I149	F110-V121 HydrophobicContact CE1-CG1 4.12Å; F110-V121 HydrophobicContact CZ-CG1 4.36Å; V118-V121 HydrophobicContact CG1-CG2 4.11Å; S119-V121 VanDerWaalsContact C-N 3.25Å; S119-V121 PolarHBondContact O-N 3.34Å; V121-M125 HydrophobicContact CG1-CE 3.59Å; V121-M126 HydrophobicContact CB-CE 3.62Å; V121-M126 HydrophobicContact CB-CG 4.36Å; V121-M126 HydrophobicContact CG1-CE 3.95Å; V121-M126 HydrophobicContact CG1-CG 3.62Å; V121-M126 VanDerWaalsContact O-CE 3.31Å; V121-M126 WeakPolarHBondContact O-CE 3.49Å; V121-C145 HydrophobicContact CG2-CB 4.45Å; V121-I149 HydrophobicContact CG2-CD1 3.91Å; V121-I149 HydrophobicContact CG2-CG1 4.18Å
122	E	92.7	Very high	93.6	Very high	132 Å²	132	64.7 Å²	64.7	62%	0.617	36%	0.364	S	S	*	.			trans	-70.9	141.5	-179.9	-63.8	-176.5	-178.9	0	0	112.3	A124 M125 M126	E122-A124 PolarHBondContact O-N 2.97Å; E122-A124 VanDerWaalsContact O-N 3.16Å; E122-M125 PolarHBondContact O-N 3.08Å; E122-M126 PolarHBondContact O-N 3.34Å
123	A	92.4	Very high	93.7	Very high	67 Å²	67	60.1 Å²	60.1	55%	0.554	33%	0.334	S	S	*	.	H	α-helix	trans	-57.8	-33	-178.3	0	0	0	0	0	113.6	M126 T127	A123-M126 PolarHBondContact O-N 2.95Å; A123-T127 PolarHBondContact O-N 3.28Å; A123-T127 PolarHBondContact O-OG1 3.33Å
124	A	93.6	Very high	93.7	Very high	73 Å²	73	55.4 Å²	55.4	60%	0.603	32%	0.315	S	S	*	.	H	α-helix	trans	-63.5	-43.3	176	0	0	0	0	0	111.7	E122 T127 Q128	E122-A124 PolarHBondContact O-N 2.97Å; E122-A124 VanDerWaalsContact O-N 3.16Å; A124-T127 PolarHBondContact O-N 2.98Å; A124-Q128 PolarHBondContact O-N 3.02Å
125	M	93.6	Very high	93.6	Very high	22 Å²	22	61.9 Å²	61.9	11%	0.108	34%	0.343	C	S	.	.	H	α-helix	trans	-71.8	-37.6	178.5	-168.4	168.8	60.8	0	0	111.8	V121 E122 T127 Q128 C129 D144 C145 L148	V121-M125 HydrophobicContact CG1-CE 3.59Å; E122-M125 PolarHBondContact O-N 3.08Å; M125-T127 VanDerWaalsContact C-N 3.27Å; M125-T127 PolarHBondContact O-N 2.86Å; M125-Q128 PolarHBondContact O-N 3.42Å; M125-C129 PolarHBondContact O-N 3.08Å; M125-C129 PolarHBondContact O-SG 3.41Å; M125-D144 HydrophobicContact SD-CB 3.69Å; M125-C145 HydrophobicContact CE-CB 4.1Å; M125-C145 VanDerWaalsContact CE-SG 3.59Å; M125-L148 HydrophobicContact CE-CB 4.47Å; M125-L148 HydrophobicContact CE-CD1 3.19Å; M125-L148 HydrophobicContact CE-CG 4.33Å; M125-L148 HydrophobicContact SD-CD1 3.88Å
126	M	93.9	Very high	93.6	Very high	12 Å²	12	65.6 Å²	65.6	6%	0.059	34%	0.343	C	S	.	.	H	α-helix	trans	-57.1	-43.9	172	-65	-175.5	176	0	0	111.6	F110 Y117 V118 V121 E122 A123 C129 T130	F110-M126 HydrophobicContact CB-CB 4.25Å; F110-M126 HydrophobicContact CB-CE 4.43Å; F110-M126 HydrophobicContact CB-CG 4.1Å; F110-M126 HydrophobicContact CB-SD 3.68Å; F110-M126 HydrophobicContact CD1-CB 4.48Å; F110-M126 HydrophobicContact CD1-CE 3.82Å; F110-M126 HydrophobicContact CD1-CG 3.73Å; F110-M126 HydrophobicContact CD1-SD 3.93Å; F110-M126 HydrophobicContact CD2-CB 3.55Å; F110-M126 HydrophobicContact CD2-CG 3.71Å; F110-M126 HydrophobicContact CD2-SD 4.43Å; F110-M126 HydrophobicContact CE1-CE 4.42Å; F110-M126 HydrophobicContact CE1-CG 4.02Å; F110-M126 HydrophobicContact CE2-CB 3.92Å; F110-M126 HydrophobicContact CE2-CG 3.99Å; F110-M126 HydrophobicContact CG-CB 3.87Å; F110-M126 HydrophobicContact CG-CE 4.29Å; F110-M126 HydrophobicContact CG-CG 3.58Å; F110-M126 HydrophobicContact CG-SD 3.78Å; F110-M126 HydrophobicContact CZ-CG 4.14Å; Y117-M126 HydrophobicContact CE2-CE 3.71Å; Y117-M126 HydrophobicContact CE2-SD 4.14Å; V118-M126 WeakPolarHBondContact O-CE 3.3Å; V121-M126 HydrophobicContact CB-CE 3.62Å; V121-M126 HydrophobicContact CB-CG 4.36Å; V121-M126 HydrophobicContact CG1-CE 3.95Å; V121-M126 HydrophobicContact CG1-CG 3.62Å; V121-M126 VanDerWaalsContact O-CE 3.31Å; V121-M126 WeakPolarHBondContact O-CE 3.49Å; E122-M126 PolarHBondContact O-N 3.34Å; A123-M126 PolarHBondContact O-N 2.95Å; M126-C129 PolarHBondContact O-N 2.82Å; M126-T130 WeakPolarHBondContact O-CB 3.27Å; M126-T130 PolarHBondContact O-N 2.97Å; M126-T130 PolarHBondContact O-OG1 2.79Å
127	T	94.1	Very high	93.4	Very high	74 Å²	74	64.1 Å²	64.1	45%	0.454	34%	0.338	S	S	.	.	H	α-helix	trans	-63.1	-47.2	177.8	-54.8	0	0	0	0	110.6	A123 A124 M125 C129 T130 E131	A123-T127 PolarHBondContact O-N 3.28Å; A123-T127 PolarHBondContact O-OG1 3.33Å; A124-T127 PolarHBondContact O-N 2.98Å; M125-T127 VanDerWaalsContact C-N 3.27Å; M125-T127 PolarHBondContact O-N 2.86Å; T127-C129 PolarHBondContact O-N 2.76Å; T127-T130 WeakPolarHBondContact O-CB 3.46Å; T127-T130 PolarHBondContact O-N 3.08Å; T127-T130 VanDerWaalsContact O-N 3.14Å; T127-E131 WeakPolarHBondContact O-CG 3.28Å; T127-E131 PolarHBondContact O-N 2.81Å
128	Q	94	Very high	93.2	Very high	98 Å²	98	62.6 Å²	62.6	46%	0.458	34%	0.336	S	S	.	.	H	α-helix	trans	-59.2	-45.7	177.8	-172.1	-174.8	18.2	0	0	112.6	A124 M125 T130 E131 R132	A124-Q128 PolarHBondContact O-N 3.02Å; M125-Q128 PolarHBondContact O-N 3.42Å; Q128-T130 VanDerWaalsContact C-N 3.3Å; Q128-T130 PolarHBondContact O-N 3.43Å; Q128-E131 PolarHBondContact O-N 3.12Å; Q128-R132 WeakPolarHBondContact O-CB 3.46Å; Q128-R132 VanDerWaalsContact O-CG 3.29Å; Q128-R132 WeakPolarHBondContact O-CG 3.46Å; Q128-R132 PolarHBondContact O-N 3.39Å
129	C	94.8	Very high	92.8	Very high	5 Å²	5	65 Å²	65	3%	0.034	35%	0.347	C	S	.	.	H	α-helix	trans	-62.3	-39.4	176.3	-73.3	0	0	0	0	111.6	F110 M125 M126 T127 R132 L133 L141 F142 C145	F110-C129 HydrophobicContact CE2-CB 3.97Å; M125-C129 PolarHBondContact O-N 3.08Å; M125-C129 PolarHBondContact O-SG 3.41Å; M126-C129 PolarHBondContact O-N 2.82Å; T127-C129 PolarHBondContact O-N 2.76Å; C129-R132 PolarHBondContact O-N 2.72Å; C129-L133 WeakPolarHBondContact O-CB 3.2Å; C129-L133 PolarHBondContact O-N 3.2Å; C129-L141 PolarHBondContact SG-O 3.34Å; C129-L141 VanDerWaalsContact SG-O 3.4Å; C129-F142 HydrophobicContact CB-CD1 4.38Å; C129-F142 HydrophobicContact CB-CE1 4.18Å; C129-C145 VanDerWaalsContact SG-SG 3.65Å
130	T	94.3	Very high	92.7	Very high	46 Å²	46	65.4 Å²	65.4	28%	0.282	34%	0.341	S	S	.	.	H	α-helix	trans	-64.1	-46.2	178	-54	0	0	0	0	111.7	I106 M126 T127 Q128 L133 Q134	I106-T130 HydrophobicContact CD1-CG2 4.42Å; M126-T130 WeakPolarHBondContact O-CB 3.27Å; M126-T130 PolarHBondContact O-N 2.97Å; M126-T130 PolarHBondContact O-OG1 2.79Å; T127-T130 WeakPolarHBondContact O-CB 3.46Å; T127-T130 PolarHBondContact O-N 3.08Å; T127-T130 VanDerWaalsContact O-N 3.14Å; Q128-T130 VanDerWaalsContact C-N 3.3Å; Q128-T130 PolarHBondContact O-N 3.43Å; T130-L133 PolarHBondContact O-N 2.96Å; T130-Q134 PolarHBondContact O-N 2.88Å
131	E	94.7	Very high	92.7	Very high	117 Å²	117	63.4 Å²	63.4	55%	0.547	33%	0.332	S	S	.	.	H	α-helix	trans	-63.9	-45.7	176.9	-70.5	175.8	176.3	0	0	111.7	T127 Q128 L133 Q134 Q135	T127-E131 WeakPolarHBondContact O-CG 3.28Å; T127-E131 PolarHBondContact O-N 2.81Å; Q128-E131 PolarHBondContact O-N 3.12Å; E131-L133 VanDerWaalsContact C-N 3.35Å; E131-L133 PolarHBondContact O-N 3.34Å; E131-Q134 PolarHBondContact O-N 2.69Å; E131-Q134 VanDerWaalsContact O-N 3.15Å; E131-Q135 PolarHBondContact O-N 2.76Å
132	R	94.5	Very high	92.9	Very high	97 Å²	97	63.3 Å²	63.3	37%	0.366	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-39.7	178.5	-75.1	-176.9	70.5	-172.4	1.2	112.2	Q128 C129 Q134 Q135 E136 L141	Q128-R132 WeakPolarHBondContact O-CB 3.46Å; Q128-R132 VanDerWaalsContact O-CG 3.29Å; Q128-R132 WeakPolarHBondContact O-CG 3.46Å; Q128-R132 PolarHBondContact O-N 3.39Å; C129-R132 PolarHBondContact O-N 2.72Å; R132-Q134 PolarHBondContact O-N 2.67Å; R132-Q135 PolarHBondContact O-N 3.21Å; R132-Q135 VanDerWaalsContact O-N 3.11Å; R132-E136 CarbonylContact O-C 3.5Å; R132-E136 PolarHBondContact O-N 2.84Å; R132-E136 VanDerWaalsContact O-O 3.07Å; R132-L141 HydrophobicContact CB-CD1 3.56Å
133	L	94.7	Very high	93	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-58.7	-35.7	176	-176.1	65.2	0	0	0	112.2	Y90 G102 Q103 I106 C129 T130 E131 Q135 A137 L141	Y90-L133 HydrophobicContact CE2-CD1 4.49Å; G102-L133 VanDerWaalsContact C-CD2 3.43Å; Q103-L133 HydrophobicContact CB-CD2 4.33Å; I106-L133 HydrophobicContact CD1-CB 4.37Å; I106-L133 HydrophobicContact CD1-CD2 3.6Å; C129-L133 WeakPolarHBondContact O-CB 3.2Å; C129-L133 PolarHBondContact O-N 3.2Å; T130-L133 PolarHBondContact O-N 2.96Å; E131-L133 VanDerWaalsContact C-N 3.35Å; E131-L133 PolarHBondContact O-N 3.34Å; L133-Q135 VanDerWaalsContact C-N 3.33Å; L133-A137 HydrophobicContact CD1-CB 3.96Å; L133-L141 HydrophobicContact CB-CD2 3.82Å; L133-L141 HydrophobicContact CD1-CD2 3.61Å; L133-L141 HydrophobicContact CG-CD2 4.24Å
134	Q	92.9	Very high	93.1	Very high	96 Å²	96	63.7 Å²	63.7	45%	0.449	32%	0.323	S	S	.	.	H	α-helix	trans	-69.7	-33.2	178.3	-65	-52.7	-32	0	0	112.6	K99 T130 E131 R132	K99-Q134 PolarHBondContact NZ-O 3.34Å; K99-Q134 VanDerWaalsContact NZ-OE1 3.1Å; T130-Q134 PolarHBondContact O-N 2.88Å; E131-Q134 PolarHBondContact O-N 2.69Å; E131-Q134 VanDerWaalsContact O-N 3.15Å; R132-Q134 PolarHBondContact O-N 2.67Å
135	Q	91.4	Very high	93.3	Very high	163 Å²	163	60.2 Å²	60.2	76%	0.762	29%	0.294	S	S	*	.	H	α-helix	trans	-75.9	-55.6	176.5	-63	175.7	6.1	0	0	111.6	E131 R132 L133	E131-Q135 PolarHBondContact O-N 2.76Å; R132-Q135 PolarHBondContact O-N 3.21Å; R132-Q135 VanDerWaalsContact O-N 3.11Å; L133-Q135 VanDerWaalsContact C-N 3.33Å
136	E	90.9	Very high	93.4	Very high	141 Å²	141	60.6 Å²	60.6	66%	0.659	30%	0.297	S	S	*	.			trans	-153.8	123.9	-176.4	-172.2	-178.4	-175.6	0	0	111.2	R132 C138	R132-E136 CarbonylContact O-C 3.5Å; R132-E136 PolarHBondContact O-N 2.84Å; R132-E136 VanDerWaalsContact O-O 3.07Å; E136-C138 VanDerWaalsContact C-N 3.28Å; E136-C138 PolarHBondContact O-N 2.86Å
137	A	90.4	Very high	93.5	Very high	24 Å²	24	66.1 Å²	66.1	20%	0.198	32%	0.321	C	S	.	.			trans	-80.1	75.5	173.1	0	0	0	0	0	110.5	R98 K99 L133	R98-A137 HydrophobicContact CB-CB 4.27Å; R98-A137 VanDerWaalsContact CD-O 3.28Å; R98-A137 WeakPolarHBondContact CD-O 3.42Å; R98-A137 HydrophobicContact CG-CB 4.15Å; R98-A137 PolarHBondContact NH1-O 2.96Å; K99-A137 HydrophobicContact CB-CB 4.09Å; L133-A137 HydrophobicContact CD1-CB 3.96Å
138	C	90.2	Very high	93.6	Very high	31 Å²	31	65.5 Å²	65.5	21%	0.209	32%	0.315	C	S	.	.			trans	-81.8	156.1	175.4	76.3	0	0	0	0	111.5	Y90 E136 E140 L141	Y90-C138 WeakPolarHBondContact CE1-O 3.36Å; Y90-C138 PolarHBondContact OH-O 3.17Å; E136-C138 VanDerWaalsContact C-N 3.28Å; E136-C138 PolarHBondContact O-N 2.86Å; C138-E140 PolarHBondContact O-N 2.75Å; C138-L141 WeakPolarHBondContact O-CB 3.44Å; C138-L141 PolarHBondContact O-N 3.03Å
139	K	86.7	Confident	93.7	Very high	52 Å²	52	60.8 Å²	60.8	23%	0.226	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-35.3	-174.6	-59.8	-175.1	-172.6	175.9	0	113	L141 N452 K454	K139-L141 PolarHBondContact O-N 2.88Å; K139-N452 PolarHBondContact NZ-OD1 3.42Å; K139-K454 HydrophobicContact CD-CB 4.28Å; K139-K454 HydrophobicContact CD-CG 3.74Å
140	E	90.9	Very high	93.9	Very high	75 Å²	75	62.5 Å²	62.5	35%	0.35	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	16.5	-174.9	-52.6	-71	136.5	0	0	112.7	C138 F142 K143 K454	C138-E140 PolarHBondContact O-N 2.75Å; E140-F142 VanDerWaalsContact C-N 3.29Å; E140-F142 PolarHBondContact O-N 3.28Å; E140-K143 HydrophobicContact CB-CB 4.49Å; E140-K143 WeakPolarHBondContact O-CB 3.4Å; E140-K143 PolarHBondContact O-N 3.05Å; E140-K143 IonicContact OE2-NZ 3.62Å; E140-K454 IonicContact OE1-NZ 3.49Å; E140-K454 PolarHBondContact OE1-NZ 2.8Å
141	L	94.6	Very high	94	Very high	3 Å²	3	64 Å²	64	2%	0.016	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-38.6	-173	178.5	65.6	0	0	0	113.5	Y90 C129 R132 L133 C138 K139	Y90-L141 HydrophobicContact CE1-CB 4.07Å; Y90-L141 WeakPolarHBondContact OH-CD2 3.44Å; C129-L141 PolarHBondContact SG-O 3.34Å; C129-L141 VanDerWaalsContact SG-O 3.4Å; R132-L141 HydrophobicContact CB-CD1 3.56Å; L133-L141 HydrophobicContact CB-CD2 3.82Å; L133-L141 HydrophobicContact CD1-CD2 3.61Å; L133-L141 HydrophobicContact CG-CD2 4.24Å; C138-L141 WeakPolarHBondContact O-CB 3.44Å; C138-L141 PolarHBondContact O-N 3.03Å; K139-L141 PolarHBondContact O-N 2.88Å
142	F	96.3	Very high	94.2	Very high	1 Å²	1	62 Å²	62	0%	0.004	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	14.8	-175.9	-58.6	-72.6	0	0	0	113.4	V87 Y90 L105 I106 F110 C129 E140 D144 C145 T146	V87-F142 HydrophobicContact CB-CB 4.49Å; V87-F142 HydrophobicContact CG1-CB 3.82Å; V87-F142 HydrophobicContact CG2-CB 3.79Å; V87-F142 HydrophobicContact CG2-CD2 4.48Å; V87-F142 HydrophobicContact CG2-CG 4.21Å; Y90-F142 AromaticContact CD1-CD2 3.77Å; Y90-F142 HydrophobicContact CD1-CD2 3.77Å; Y90-F142 AromaticContact CD1-CE2 3.98Å; Y90-F142 HydrophobicContact CD1-CE2 3.98Å; Y90-F142 HydrophobicContact CD2-CD2 4.5Å; Y90-F142 AromaticContact CD2-CE2 3.9Å; Y90-F142 HydrophobicContact CD2-CE2 3.9Å; Y90-F142 AromaticContact CE1-CD2 3.88Å; Y90-F142 HydrophobicContact CE1-CD2 3.88Å; Y90-F142 AromaticContact CE1-CE2 3.96Å; Y90-F142 HydrophobicContact CE1-CE2 3.96Å; Y90-F142 AromaticContact CE2-CE2 3.85Å; Y90-F142 HydrophobicContact CE2-CE2 3.85Å; Y90-F142 HydrophobicContact CG-CD2 4.1Å; Y90-F142 AromaticContact CG-CE2 3.96Å; Y90-F142 HydrophobicContact CG-CE2 3.96Å; Y90-F142 AromaticContact CZ-CE2 3.9Å; L105-F142 HydrophobicContact CD1-CD2 4.2Å; L105-F142 HydrophobicContact CD1-CE2 4Å; L105-F142 HydrophobicContact CD1-CZ 4.39Å; L105-F142 HydrophobicContact CD2-CD1 4.19Å; L105-F142 HydrophobicContact CD2-CE1 3.8Å; L105-F142 HydrophobicContact CD2-CE2 4.26Å; L105-F142 HydrophobicContact CD2-CZ 3.85Å; I106-F142 HydrophobicContact CD1-CE1 4.4Å; I106-F142 HydrophobicContact CD1-CZ 4.33Å; I106-F142 HydrophobicContact CG1-CE1 4.01Å; I106-F142 HydrophobicContact CG1-CZ 4.06Å; F110-F142 HydrophobicContact CE2-CE1 4.19Å; F110-F142 HydrophobicContact CZ-CD1 4.23Å; F110-F142 HydrophobicContact CZ-CE1 4.23Å; C129-F142 HydrophobicContact CB-CD1 4.38Å; C129-F142 HydrophobicContact CB-CE1 4.18Å; E140-F142 VanDerWaalsContact C-N 3.29Å; E140-F142 PolarHBondContact O-N 3.28Å; F142-D144 PolarHBondContact O-N 2.84Å; F142-C145 HydrophobicContact CB-CB 4.5Å; F142-C145 WeakPolarHBondContact O-CB 3.17Å; F142-C145 PolarHBondContact O-N 3.42Å; F142-T146 WeakPolarHBondContact O-CB 3.49Å; F142-T146 PolarHBondContact O-N 3.23Å; F142-T146 PolarHBondContact O-OG1 2.79Å
143	K	94.8	Very high	94.3	Very high	119 Å²	119	57.4 Å²	57.4	52%	0.517	28%	0.277	S	S	.	.	H	α-helix	trans	-59.1	-45.2	-176	-177.1	-179	-174.3	166.4	0	112.7	E140 T146 K147	E140-K143 HydrophobicContact CB-CB 4.49Å; E140-K143 WeakPolarHBondContact O-CB 3.4Å; E140-K143 PolarHBondContact O-N 3.05Å; E140-K143 IonicContact OE2-NZ 3.62Å; K143-T146 WeakPolarHBondContact O-CB 3.17Å; K143-T146 PolarHBondContact O-N 2.62Å; K143-K147 PolarHBondContact O-N 3.47Å
144	D	94.7	Very high	94.5	Very high	88 Å²	88	59.2 Å²	59.2	47%	0.471	29%	0.29	S	S	.	.	H	α-helix	trans	-71.8	-34	-178.9	-61.2	-39.7	0	0	0	111.7	M125 F142 K147 L148	M125-D144 HydrophobicContact SD-CB 3.69Å; F142-D144 PolarHBondContact O-N 2.84Å; D144-K147 PolarHBondContact O-N 2.98Å; D144-L148 PolarHBondContact O-N 3.35Å
145	C	96.1	Very high	94.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61	-46.7	170.3	-59.1	0	0	0	0	111.3	F83 V121 M125 C129 F142 K147 L148 I149	F83-C145 HydrophobicContact CE1-CB 4.03Å; F83-C145 HydrophobicContact CZ-CB 3.63Å; V121-C145 HydrophobicContact CG2-CB 4.45Å; M125-C145 HydrophobicContact CE-CB 4.1Å; M125-C145 VanDerWaalsContact CE-SG 3.59Å; C129-C145 VanDerWaalsContact SG-SG 3.65Å; F142-C145 HydrophobicContact CB-CB 4.5Å; F142-C145 WeakPolarHBondContact O-CB 3.17Å; F142-C145 PolarHBondContact O-N 3.42Å; C145-K147 VanDerWaalsContact C-N 3.34Å; C145-K147 PolarHBondContact O-N 3.04Å; C145-L148 PolarHBondContact O-N 3.17Å; C145-I149 WeakPolarHBondContact O-CG1 3.22Å; C145-I149 PolarHBondContact O-N 2.79Å; C145-I149 VanDerWaalsContact O-N 3.08Å
146	T	96.2	Very high	95	Very high	29 Å²	29	54.4 Å²	54.4	18%	0.178	28%	0.284	C	S	.	.	H	α-helix	trans	-58.4	-46.7	177.4	-62.5	0	0	0	0	111	L84 F142 K143 L148 I149 H150	L84-T146 HydrophobicContact CD2-CG2 3.77Å; F142-T146 WeakPolarHBondContact O-CB 3.49Å; F142-T146 PolarHBondContact O-N 3.23Å; F142-T146 PolarHBondContact O-OG1 2.79Å; K143-T146 WeakPolarHBondContact O-CB 3.17Å; K143-T146 PolarHBondContact O-N 2.62Å; T146-L148 PolarHBondContact O-N 3.06Å; T146-I149 PolarHBondContact O-N 2.86Å; T146-H150 PolarHBondContact O-CD2 3.17Å; T146-H150 PolarHBondContact O-N 3.13Å
147	K	96	Very high	95.4	Very high	128 Å²	128	47.8 Å²	47.8	56%	0.557	25%	0.253	S	S	*	.	H	α-helix	trans	-58.1	-48.5	176.8	-175.9	-177.6	173.6	-172.4	0	112	K143 D144 C145 I149 H150 D151	K143-K147 PolarHBondContact O-N 3.47Å; D144-K147 PolarHBondContact O-N 2.98Å; C145-K147 VanDerWaalsContact C-N 3.34Å; C145-K147 PolarHBondContact O-N 3.04Å; K147-I149 VanDerWaalsContact C-N 3.29Å; K147-I149 PolarHBondContact O-N 3.45Å; K147-H150 PolarHBondContact O-N 3.49Å; K147-H150 VanDerWaalsContact O-N 3.11Å; K147-D151 PolarHBondContact O-N 3.26Å
148	L	96.3	Very high	95.8	Very high	61 Å²	61	47.4 Å²	47.4	32%	0.319	25%	0.247	S	C	.	.	H	α-helix	trans	-61.4	-36.8	179.7	-85.7	169.1	0	0	0	112.9	M125 D144 C145 T146 D151 Y152	M125-L148 HydrophobicContact CE-CB 4.47Å; M125-L148 HydrophobicContact CE-CD1 3.19Å; M125-L148 HydrophobicContact CE-CG 4.33Å; M125-L148 HydrophobicContact SD-CD1 3.88Å; D144-L148 PolarHBondContact O-N 3.35Å; C145-L148 PolarHBondContact O-N 3.17Å; T146-L148 PolarHBondContact O-N 3.06Å; L148-D151 PolarHBondContact O-N 3.34Å; L148-Y152 PolarHBondContact O-N 3.27Å
149	I	97.3	Very high	96.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.3	-40.7	174.2	-64.9	-56.8	0	0	0	111.9	C80 F83 L84 V118 E120 V121 C145 T146 K147 Y152 L153	C80-I149 HydrophobicContact CB-CG2 3.78Å; F83-I149 HydrophobicContact CD1-CG1 3.91Å; F83-I149 HydrophobicContact CE1-CG1 4.02Å; L84-I149 HydrophobicContact CD1-CG2 3.92Å; L84-I149 HydrophobicContact CD2-CB 4.11Å; L84-I149 HydrophobicContact CD2-CG2 3.93Å; L84-I149 HydrophobicContact CG-CG2 3.87Å; V118-I149 HydrophobicContact CG1-CD1 3.45Å; V118-I149 VanDerWaalsContact CG1-CD1 3.45Å; V118-I149 HydrophobicContact CG1-CG1 4.47Å; E120-I149 HydrophobicContact CB-CD1 3.65Å; V121-I149 HydrophobicContact CG2-CD1 3.91Å; V121-I149 HydrophobicContact CG2-CG1 4.18Å; C145-I149 WeakPolarHBondContact O-CG1 3.22Å; C145-I149 PolarHBondContact O-N 2.79Å; C145-I149 VanDerWaalsContact O-N 3.08Å; T146-I149 PolarHBondContact O-N 2.86Å; K147-I149 VanDerWaalsContact C-N 3.29Å; K147-I149 PolarHBondContact O-N 3.45Å; I149-Y152 PolarHBondContact O-N 3.29Å; I149-L153 HydrophobicContact CG2-CD1 3.87Å; I149-L153 HydrophobicContact CG2-CG 4.3Å; I149-L153 WeakPolarHBondContact O-CB 3.17Å; I149-L153 VanDerWaalsContact O-CG 3.25Å; I149-L153 WeakPolarHBondContact O-CG 3.35Å; I149-L153 PolarHBondContact O-N 2.87Å
150	H	97.8	Very high	96.7	Very high	41 Å²	41	49.1 Å²	49.1	19%	0.19	26%	0.263	C	S	.	.	H	α-helix	trans	-64.6	-43	173.7	-77.5	-68.5	0	0	0	112.3	Y53 E58 T146 K147 Y152 L153 S154	Y53-H150 HydrophobicContact CE1-CB 4.32Å; Y53-H150 AromaticContact CE1-ND1 3.69Å; Y53-H150 AromaticContact CZ-ND1 3.83Å; Y53-H150 PolarHBondContact OH-ND1 2.96Å; E58-H150 IonicContact OE1-CE1 3.95Å; E58-H150 PolarHBondContact OE1-CE1 3.03Å; E58-H150 IonicContact OE1-CG 2.7Å; E58-H150 IonicContact OE1-ND1 3.72Å; E58-H150 PolarHBondContact OE1-ND1 3.4Å; E58-H150 IonicContact OE1-NE2 2.91Å; E58-H150 PolarHBondContact OE1-NE2 2.77Å; T146-H150 PolarHBondContact O-CD2 3.17Å; T146-H150 PolarHBondContact O-N 3.13Å; K147-H150 PolarHBondContact O-N 3.49Å; K147-H150 VanDerWaalsContact O-N 3.11Å; H150-Y152 VanDerWaalsContact C-N 3.27Å; H150-Y152 PolarHBondContact O-N 3.06Å; H150-L153 PolarHBondContact O-N 3.14Å; H150-S154 WeakPolarHBondContact O-CB 3.49Å; H150-S154 PolarHBondContact O-N 3.27Å; H150-S154 PolarHBondContact O-OG 3.13Å
151	D	97.3	Very high	97.1	Very high	77 Å²	77	45.5 Å²	45.5	41%	0.412	25%	0.246	S	C	.	.	H	α-helix	trans	-59.5	-38.7	176.4	-68.7	-19.1	0	0	0	111.2	K147 L148 S154 V155	K147-D151 PolarHBondContact O-N 3.26Å; L148-D151 PolarHBondContact O-N 3.34Å; D151-S154 PolarHBondContact O-OG 3.25Å; D151-S154 VanDerWaalsContact O-OG 3.05Å; D151-V155 WeakPolarHBondContact O-CG2 3.12Å
152	Y	97.8	Very high	97.3	Very high	75 Å²	75	46.7 Å²	46.7	29%	0.294	25%	0.252	S	S	.	.	H	α-helix	trans	-65.9	-50.9	172.7	167.4	-104.2	0	0	0	112.2	L77 E120 L148 I149 H150 S154 V155 P157	L77-Y152 HydrophobicContact CD2-CE1 3.85Å; E120-Y152 HydrophobicContact CB-CG 4.39Å; E120-Y152 HydrophobicContact CG-CD1 3.73Å; E120-Y152 HydrophobicContact CG-CD2 3.94Å; E120-Y152 HydrophobicContact CG-CE1 3.86Å; E120-Y152 HydrophobicContact CG-CE2 4.05Å; E120-Y152 HydrophobicContact CG-CG 3.77Å; L148-Y152 PolarHBondContact O-N 3.27Å; I149-Y152 PolarHBondContact O-N 3.29Å; H150-Y152 VanDerWaalsContact C-N 3.27Å; H150-Y152 PolarHBondContact O-N 3.06Å; Y152-S154 PolarHBondContact O-N 2.85Å; Y152-V155 PolarHBondContact O-N 2.87Å; Y152-P157 HydrophobicContact CD1-CG 4.46Å; Y152-P157 HydrophobicContact CE1-CG 3.95Å; Y152-P157 HydrophobicContact CE2-CG 4.44Å; Y152-P157 WeakPolarHBondContact O-CD 3.33Å
153	L	98.2	Very high	97.3	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-27.9	-177.2	-70.9	173.8	0	0	0	112.5	Y53 F67 L77 C80 L84 I149 H150 V155 P157 F158	Y53-L153 HydrophobicContact CE2-CB 4.01Å; Y53-L153 WeakPolarHBondContact OH-CB 3.41Å; F67-L153 HydrophobicContact CE1-CB 4.49Å; F67-L153 HydrophobicContact CE1-CD1 4.46Å; F67-L153 HydrophobicContact CZ-CB 4.33Å; F67-L153 HydrophobicContact CZ-CD2 4.39Å; L77-L153 HydrophobicContact CD2-CD2 4.09Å; C80-L153 HydrophobicContact CB-CD1 4.45Å; C80-L153 HydrophobicContact CB-CD2 4.33Å; L84-L153 HydrophobicContact CD1-CD1 4.01Å; I149-L153 HydrophobicContact CG2-CD1 3.87Å; I149-L153 HydrophobicContact CG2-CG 4.3Å; I149-L153 WeakPolarHBondContact O-CB 3.17Å; I149-L153 VanDerWaalsContact O-CG 3.25Å; I149-L153 WeakPolarHBondContact O-CG 3.35Å; I149-L153 PolarHBondContact O-N 2.87Å; H150-L153 PolarHBondContact O-N 3.14Å; L153-V155 VanDerWaalsContact C-N 3.28Å; L153-V155 PolarHBondContact O-N 3.19Å; L153-P157 HydrophobicContact CD2-CB 4.3Å; L153-P157 HydrophobicContact CD2-CG 4.48Å; L153-F158 VanDerWaalsContact O-CB 3.3Å; L153-F158 WeakPolarHBondContact O-CB 3.5Å; L153-F158 PolarHBondContact O-N 3.18Å; L153-F158 VanDerWaalsContact O-N 3.12Å
154	S	98.1	Very high	97.3	Very high	38 Å²	38	48.6 Å²	48.6	27%	0.266	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-7.1	-176.2	67.4	0	0	0	0	115.2	Y53 H150 D151 Y152	Y53-S154 VanDerWaalsContact CG-CB 3.46Å; H150-S154 WeakPolarHBondContact O-CB 3.49Å; H150-S154 PolarHBondContact O-N 3.27Å; H150-S154 PolarHBondContact O-OG 3.13Å; D151-S154 PolarHBondContact O-OG 3.25Å; D151-S154 VanDerWaalsContact O-OG 3.05Å; Y152-S154 PolarHBondContact O-N 2.85Å
155	V	97.6	Very high	97.3	Very high	101 Å²	101	46.4 Å²	46.4	61%	0.612	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-107.3	-177	-170	0	0	0	0	110.5	D151 Y152 L153 F158 A159	D151-V155 WeakPolarHBondContact O-CG2 3.12Å; Y152-V155 PolarHBondContact O-N 2.87Å; L153-V155 VanDerWaalsContact C-N 3.28Å; L153-V155 PolarHBondContact O-N 3.19Å; V155-F158 PolarHBondContact O-N 3.42Å; V155-A159 PolarHBondContact O-N 3.34Å
156	A	97.8	Very high	97.4	Very high	58 Å²	58	47.9 Å²	47.9	48%	0.479	26%	0.263	S	S	.	.	H	α-helix	trans	-62.1	-43.9	-174.2	0	0	0	0	0	113	F158 A159 D160	A156-F158 VanDerWaalsContact C-N 3.26Å; A156-F158 PolarHBondContact O-N 3.14Å; A156-A159 PolarHBondContact O-N 3.02Å; A156-D160 VanDerWaalsContact O-CG 3.3Å; A156-D160 PolarHBondContact O-N 3.44Å
157	P	98.3	Very high	97.5	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.013	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-35.1	176.4	-24.6	36.4	0	0	0	113.3	F70 L77 Y152 L153 Y161	F70-P157 WeakPolarHBondContact CE1-O 3.42Å; L77-P157 HydrophobicContact CD1-CB 4.03Å; L77-P157 HydrophobicContact CD2-CB 3.78Å; L77-P157 HydrophobicContact CD2-CG 3.7Å; Y152-P157 HydrophobicContact CD1-CG 4.46Å; Y152-P157 HydrophobicContact CE1-CG 3.95Å; Y152-P157 HydrophobicContact CE2-CG 4.44Å; Y152-P157 WeakPolarHBondContact O-CD 3.33Å; L153-P157 HydrophobicContact CD2-CB 4.3Å; L153-P157 HydrophobicContact CD2-CG 4.48Å; P157-Y161 WeakPolarHBondContact O-CB 3.49Å; P157-Y161 PolarHBondContact O-N 3.36Å
158	F	98.6	Very high	97.6	Very high	15 Å²	15	41.4 Å²	41.4	7%	0.066	23%	0.233	C	C	.	.	H	α-helix	trans	-70.8	-41.3	175.7	179	-125.3	0	0	0	112	K51 Y53 L56 L153 V155 A156 Y161 L162	K51-F158 WeakPolarHBondContact O-CE1 3.41Å; Y53-F158 HydrophobicContact CD2-CB 4.1Å; Y53-F158 AromaticContact CD2-CD2 3.92Å; Y53-F158 HydrophobicContact CD2-CD2 3.92Å; Y53-F158 AromaticContact CD2-CG 3.99Å; Y53-F158 HydrophobicContact CD2-CG 3.99Å; L56-F158 HydrophobicContact CB-CE2 4.39Å; L56-F158 HydrophobicContact CD1-CE2 4.24Å; L56-F158 HydrophobicContact CD1-CZ 3.99Å; L153-F158 VanDerWaalsContact O-CB 3.3Å; L153-F158 WeakPolarHBondContact O-CB 3.5Å; L153-F158 PolarHBondContact O-N 3.18Å; L153-F158 VanDerWaalsContact O-N 3.12Å; V155-F158 PolarHBondContact O-N 3.42Å; A156-F158 VanDerWaalsContact C-N 3.26Å; A156-F158 PolarHBondContact O-N 3.14Å; F158-Y161 HydrophobicContact CD2-CD1 4.04Å; F158-Y161 HydrophobicContact CE2-CD1 4.15Å; F158-Y161 WeakPolarHBondContact O-CB 3.15Å; F158-Y161 PolarHBondContact O-N 2.93Å; F158-L162 HydrophobicContact CD1-CD1 4.26Å; F158-L162 HydrophobicContact CD2-CG 4.37Å; F158-L162 HydrophobicContact CE1-CD1 3.85Å; F158-L162 HydrophobicContact CE1-CG 4.46Å; F158-L162 HydrophobicContact CE2-CD1 4.32Å; F158-L162 HydrophobicContact CE2-CD2 3.91Å; F158-L162 HydrophobicContact CE2-CG 4.06Å; F158-L162 HydrophobicContact CZ-CD1 3.89Å; F158-L162 HydrophobicContact CZ-CD2 3.99Å; F158-L162 HydrophobicContact CZ-CG 4.11Å; F158-L162 WeakPolarHBondContact O-CG 3.2Å; F158-L162 PolarHBondContact O-N 2.98Å
159	A	98.4	Very high	97.6	Very high	46 Å²	46	38.6 Å²	38.6	38%	0.38	22%	0.218	S	C	.	.	H	α-helix	trans	-59.4	-46.9	173.5	0	0	0	0	0	111.6	V155 A156 Y161 L162 D163	V155-A159 PolarHBondContact O-N 3.34Å; A156-A159 PolarHBondContact O-N 3.02Å; A159-Y161 VanDerWaalsContact C-N 3.28Å; A159-Y161 PolarHBondContact O-N 3.25Å; A159-L162 WeakPolarHBondContact O-CB 3.35Å; A159-L162 PolarHBondContact O-N 3.26Å; A159-L162 VanDerWaalsContact O-N 3.11Å; A159-D163 PolarHBondContact O-N 3.47Å
160	D	98.4	Very high	97.7	Very high	73 Å²	73	38.7 Å²	38.7	39%	0.39	22%	0.219	S	C	.	.	H	α-helix	trans	-60.2	-38	176	-66	-19.7	0	0	0	112	F70 R74 A156 D163 S164	F70-D160 HydrophobicContact CE2-CB 4.47Å; F70-D160 HydrophobicContact CZ-CB 3.71Å; R74-D160 IonicContact CZ-OD2 2.69Å; R74-D160 IonicContact NH1-OD2 3.89Å; R74-D160 PolarHBondContact NH1-OD2 3.15Å; R74-D160 IonicContact NH2-OD2 3.54Å; A156-D160 VanDerWaalsContact O-CG 3.3Å; A156-D160 PolarHBondContact O-N 3.44Å; D160-D163 PolarHBondContact O-N 3.44Å; D160-S164 PolarHBondContact O-N 2.86Å
161	Y	98.4	Very high	97.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.9	-44.9	174.3	165	-108.1	0	0	0	111.7	L66 F67 F70 P157 F158 A159 D163 S164 F167	L66-Y161 HydrophobicContact CB-CE2 4.44Å; F67-Y161 HydrophobicContact CB-CE2 4.28Å; F67-Y161 AromaticContact CD2-CD1 3.88Å; F67-Y161 HydrophobicContact CD2-CD1 3.88Å; F67-Y161 AromaticContact CD2-CD2 3.86Å; F67-Y161 HydrophobicContact CD2-CD2 3.86Å; F67-Y161 HydrophobicContact CD2-CE1 4.4Å; F67-Y161 HydrophobicContact CD2-CE2 4.39Å; F67-Y161 AromaticContact CD2-CG 3.57Å; F67-Y161 HydrophobicContact CD2-CG 3.57Å; F67-Y161 HydrophobicContact CE2-CG 4.14Å; F70-Y161 HydrophobicContact CB-CD2 3.88Å; F70-Y161 HydrophobicContact CD1-CD2 4.17Å; F70-Y161 HydrophobicContact CD1-CG 4.43Å; F70-Y161 AromaticContact CG-CD2 3.97Å; F70-Y161 HydrophobicContact CG-CD2 3.97Å; P157-Y161 WeakPolarHBondContact O-CB 3.49Å; P157-Y161 PolarHBondContact O-N 3.36Å; F158-Y161 HydrophobicContact CD2-CD1 4.04Å; F158-Y161 HydrophobicContact CE2-CD1 4.15Å; F158-Y161 WeakPolarHBondContact O-CB 3.15Å; F158-Y161 PolarHBondContact O-N 2.93Å; A159-Y161 VanDerWaalsContact C-N 3.28Å; A159-Y161 PolarHBondContact O-N 3.25Å; Y161-D163 PolarHBondContact O-N 3.45Å; Y161-S164 VanDerWaalsContact O-CB 3.31Å; Y161-S164 WeakPolarHBondContact O-CB 3.36Å; Y161-S164 PolarHBondContact O-N 3.29Å; Y161-S164 PolarHBondContact O-OG 2.83Å; Y161-F167 HydrophobicContact CD1-CD2 4.46Å; Y161-F167 HydrophobicContact CE1-CB 4.25Å; Y161-F167 AromaticContact CE1-CD2 3.72Å; Y161-F167 HydrophobicContact CE1-CD2 3.72Å; Y161-F167 HydrophobicContact CE1-CG 4.4Å; Y161-F167 HydrophobicContact CE2-CB 4.33Å; Y161-F167 WeakPolarHBondContact O-CB 3.14Å
162	L	98.1	Very high	97.8	Very high	27 Å²	27	33 Å²	33	14%	0.141	19%	0.19	C	C	.	.	H	α-helix	trans	-61.3	-28.4	-180	-68.3	176.8	0	0	0	112.7	K51 L56 F158 A159 F167	K51-L162 HydrophobicContact CB-CD1 4.13Å; K51-L162 HydrophobicContact CD-CD1 4.17Å; K51-L162 HydrophobicContact CD-CD2 4.07Å; K51-L162 HydrophobicContact CG-CD1 4.31Å; L56-L162 HydrophobicContact CD1-CD2 4.25Å; F158-L162 HydrophobicContact CD1-CD1 4.26Å; F158-L162 HydrophobicContact CD2-CG 4.37Å; F158-L162 HydrophobicContact CE1-CD1 3.85Å; F158-L162 HydrophobicContact CE1-CG 4.46Å; F158-L162 HydrophobicContact CE2-CD1 4.32Å; F158-L162 HydrophobicContact CE2-CD2 3.91Å; F158-L162 HydrophobicContact CE2-CG 4.06Å; F158-L162 HydrophobicContact CZ-CD1 3.89Å; F158-L162 HydrophobicContact CZ-CD2 3.99Å; F158-L162 HydrophobicContact CZ-CG 4.11Å; F158-L162 WeakPolarHBondContact O-CG 3.2Å; F158-L162 PolarHBondContact O-N 2.98Å; A159-L162 WeakPolarHBondContact O-CB 3.35Å; A159-L162 PolarHBondContact O-N 3.26Å; A159-L162 VanDerWaalsContact O-N 3.11Å; L162-F167 HydrophobicContact CD2-CD1 4.14Å; L162-F167 HydrophobicContact CD2-CD2 3.73Å; L162-F167 HydrophobicContact CD2-CE1 4.04Å; L162-F167 HydrophobicContact CD2-CE2 3.63Å; L162-F167 HydrophobicContact CD2-CG 3.99Å; L162-F167 HydrophobicContact CD2-CZ 3.8Å; L162-F167 WeakPolarHBondContact O-CD1 3.33Å
163	D	96.3	Very high	97.8	Very high	143 Å²	143	29.6 Å²	29.6	77%	0.765	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-1.6	176.2	-70.3	-23.9	0	0	0	113.6	A159 D160 Y161	A159-D163 PolarHBondContact O-N 3.47Å; D160-D163 PolarHBondContact O-N 3.44Å; Y161-D163 PolarHBondContact O-N 3.45Å
164	S	95.9	Very high	97.8	Very high	18 Å²	18	30.2 Å²	30.2	13%	0.126	18%	0.179	C	C	.	.	S	Bend	trans	-90.4	163.5	-176.2	80.9	0	0	0	0	114.1	D160 Y161 Y166 F167 N168	D160-S164 PolarHBondContact O-N 2.86Å; Y161-S164 VanDerWaalsContact O-CB 3.31Å; Y161-S164 WeakPolarHBondContact O-CB 3.36Å; Y161-S164 PolarHBondContact O-N 3.29Å; Y161-S164 PolarHBondContact O-OG 2.83Å; S164-Y166 PolarHBondContact O-N 2.72Å; S164-Y166 PolarHBondContact OG-N 3.44Å; S164-F167 PolarHBondContact O-N 3.32Å; S164-N168 PolarHBondContact O-N 3.09Å
165	M	95.3	Very high	97.8	Very high	41 Å²	41	31.6 Å²	31.6	20%	0.202	18%	0.178	C	C	.	.	H	α-helix	trans	-63	-22	171.2	67.6	171.4	-179.3	0	0	113.6	N168 R169 F527	M165-N168 WeakPolarHBondContact O-CB 3.2Å; M165-N168 PolarHBondContact O-N 3.24Å; M165-R169 PolarHBondContact O-N 2.87Å; M165-F527 HydrophobicContact CE-CD1 3.77Å; M165-F527 HydrophobicContact CE-CE1 4.25Å; M165-F527 HydrophobicContact CE-CG 4.45Å; M165-F527 HydrophobicContact CG-CE1 4.18Å; M165-F527 HydrophobicContact SD-CD1 3.9Å; M165-F527 HydrophobicContact SD-CE1 4.12Å
166	Y	97.6	Very high	97.9	Very high	31 Å²	31	27.2 Å²	27.2	12%	0.122	15%	0.152	C	C	.	.	H	α-helix	trans	-68.7	-38.6	177.2	-61.4	-85.9	0	0	0	111.1	Q69 F70 T73 S164 R169 F170 F527	Q69-Y166 HydrophobicContact CB-CD1 3.92Å; Q69-Y166 HydrophobicContact CB-CE1 3.73Å; F70-Y166 HydrophobicContact CB-CD2 3.71Å; F70-Y166 HydrophobicContact CB-CE2 4.21Å; F70-Y166 HydrophobicContact CB-CG 3.89Å; F70-Y166 AromaticContact CD2-CD2 3.92Å; F70-Y166 HydrophobicContact CD2-CD2 3.92Å; F70-Y166 HydrophobicContact CD2-CE2 4.3Å; F70-Y166 HydrophobicContact CG-CD2 4.32Å; T73-Y166 HydrophobicContact CG2-CE2 4.19Å; T73-Y166 VanDerWaalsContact CG2-OH 3.26Å; T73-Y166 WeakPolarHBondContact CG2-OH 3.5Å; S164-Y166 PolarHBondContact O-N 2.72Å; S164-Y166 PolarHBondContact OG-N 3.44Å; Y166-R169 PolarHBondContact O-N 3.14Å; Y166-F170 PolarHBondContact O-N 3.04Å; Y166-F527 HydrophobicContact CD1-CE1 4.29Å; Y166-F527 AromaticContact CD1-CE2 3.9Å; Y166-F527 HydrophobicContact CD1-CE2 3.9Å; Y166-F527 AromaticContact CD1-CZ 3.68Å; Y166-F527 HydrophobicContact CD1-CZ 3.68Å; Y166-F527 HydrophobicContact CE1-CD2 4.24Å; Y166-F527 HydrophobicContact CE1-CE1 4.41Å; Y166-F527 AromaticContact CE1-CE2 3.92Å; Y166-F527 HydrophobicContact CE1-CE2 3.92Å; Y166-F527 HydrophobicContact CE1-CZ 4.01Å; Y166-F527 HydrophobicContact CG-CZ 4.48Å
167	F	97.9	Very high	97.9	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.009	13%	0.13	C	C	.	.	H	α-helix	trans	-70.1	-35.3	172.4	-173.9	-112.8	0	0	0	111.8	K51 L56 Y161 L162 S164 R169 F170 L171	K51-F167 HydrophobicContact CD-CZ 4.4Å; K51-F167 VanDerWaalsContact NZ-CZ 3.32Å; L56-F167 HydrophobicContact CD1-CE2 4.12Å; Y161-F167 HydrophobicContact CD1-CD2 4.46Å; Y161-F167 HydrophobicContact CE1-CB 4.25Å; Y161-F167 AromaticContact CE1-CD2 3.72Å; Y161-F167 HydrophobicContact CE1-CD2 3.72Å; Y161-F167 HydrophobicContact CE1-CG 4.4Å; Y161-F167 HydrophobicContact CE2-CB 4.33Å; Y161-F167 WeakPolarHBondContact O-CB 3.14Å; L162-F167 HydrophobicContact CD2-CD1 4.14Å; L162-F167 HydrophobicContact CD2-CD2 3.73Å; L162-F167 HydrophobicContact CD2-CE1 4.04Å; L162-F167 HydrophobicContact CD2-CE2 3.63Å; L162-F167 HydrophobicContact CD2-CG 3.99Å; L162-F167 HydrophobicContact CD2-CZ 3.8Å; L162-F167 WeakPolarHBondContact O-CD1 3.33Å; S164-F167 PolarHBondContact O-N 3.32Å; F167-R169 VanDerWaalsContact C-N 3.29Å; F167-R169 PolarHBondContact O-N 2.98Å; F167-F170 HydrophobicContact CD2-CB 4.26Å; F167-F170 AromaticContact CD2-CD1 3.95Å; F167-F170 HydrophobicContact CD2-CD1 3.95Å; F167-F170 HydrophobicContact CD2-CG 4.4Å; F167-F170 AromaticContact CE2-CD1 3.61Å; F167-F170 HydrophobicContact CE2-CD1 3.61Å; F167-F170 HydrophobicContact CE2-CE1 4.15Å; F167-F170 HydrophobicContact CE2-CG 4.47Å; F167-F170 HydrophobicContact CZ-CD1 4.47Å; F167-F170 WeakPolarHBondContact O-CB 3.49Å; F167-F170 PolarHBondContact O-N 3.02Å; F167-F170 VanDerWaalsContact O-N 3.13Å; F167-L171 HydrophobicContact CD1-CD1 4.18Å; F167-L171 HydrophobicContact CD1-CG 4.37Å; F167-L171 HydrophobicContact CE1-CD1 3.84Å; F167-L171 HydrophobicContact CE1-CD2 4.11Å; F167-L171 HydrophobicContact CE1-CG 4Å; F167-L171 HydrophobicContact CE2-CD2 4.46Å; F167-L171 HydrophobicContact CZ-CD1 4.42Å; F167-L171 HydrophobicContact CZ-CD2 3.84Å; F167-L171 HydrophobicContact CZ-CG 4.12Å; F167-L171 WeakPolarHBondContact O-CG 3.49Å; F167-L171 PolarHBondContact O-N 3.42Å
168	N	97.3	Very high	97.8	Very high	20 Å²	20	31.9 Å²	31.9	11%	0.107	16%	0.157	C	C	.	.	H	α-helix	trans	-59	-42.7	171.4	-62.2	-14	0	0	0	111.5	I39 R46 S164 M165 L171 Q172 L537	I39-N168 HydrophobicContact CD1-CB 3.67Å; I39-N168 WeakPolarHBondContact CD1-O 3.49Å; I39-N168 HydrophobicContact CG1-CB 4.21Å; R46-N168 PolarHBondContact NH1-OD1 3.05Å; R46-N168 PolarHBondContact NH2-OD1 3.34Å; S164-N168 PolarHBondContact O-N 3.09Å; M165-N168 WeakPolarHBondContact O-CB 3.2Å; M165-N168 PolarHBondContact O-N 3.24Å; N168-L171 PolarHBondContact O-N 3.06Å; N168-Q172 PolarHBondContact O-N 2.79Å; N168-Q172 VanDerWaalsContact O-N 3.17Å; N168-L537 HydrophobicContact CB-CD2 3.71Å
169	R	98.1	Very high	97.7	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-65.5	-38.1	173.8	-178.1	49.7	59.4	97.2	-10.1	112.1	L66 M165 Y166 F167 L171 Q172 W173 N525 V526 F527 D536 L537	L66-R169 HydrophobicContact CD1-CG 4.46Å; L66-R169 HydrophobicContact CD2-CB 4.3Å; L66-R169 HydrophobicContact CD2-CG 3.94Å; M165-R169 PolarHBondContact O-N 2.87Å; Y166-R169 PolarHBondContact O-N 3.14Å; F167-R169 VanDerWaalsContact C-N 3.29Å; F167-R169 PolarHBondContact O-N 2.98Å; R169-L171 VanDerWaalsContact C-N 3.3Å; R169-L171 PolarHBondContact O-N 3.27Å; R169-Q172 PolarHBondContact O-N 3.03Å; R169-W173 VanDerWaalsContact O-CD1 3.27Å; R169-W173 PolarHBondContact O-N 3.28Å; R169-N525 WeakPolarHBondContact CG-OD1 3.48Å; R169-V526 PolarHBondContact NH1-O 2.65Å; R169-F527 HydrophobicContact CB-CE1 4.23Å; R169-F527 HydrophobicContact CB-CZ 3.78Å; R169-F527 HydrophobicContact CG-CE1 4.48Å; R169-F527 HydrophobicContact CG-CE2 4.46Å; R169-F527 HydrophobicContact CG-CZ 3.78Å; R169-D536 IonicContact CZ-OD2 3.96Å; R169-D536 IonicContact NE-OD2 3.59Å; R169-D536 IonicContact NH2-OD1 2.59Å; R169-D536 PolarHBondContact NH2-OD1 2.87Å; R169-D536 IonicContact NH2-OD2 3.28Å; R169-D536 PolarHBondContact NH2-OD2 3.14Å; R169-L537 HydrophobicContact CB-CD1 4.34Å
170	F	98.5	Very high	97.6	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-58.1	-43.3	172.2	172.9	-95.4	0	0	0	111.3	T49 L56 L66 Y166 F167 Q172 W173 K174	T49-F170 HydrophobicContact CG2-CE1 4.45Å; L56-F170 HydrophobicContact CD2-CD1 4.46Å; L56-F170 HydrophobicContact CD2-CE1 3.5Å; L56-F170 VanDerWaalsContact CD2-CE1 3.5Å; L56-F170 HydrophobicContact CD2-CE2 4.43Å; L56-F170 HydrophobicContact CD2-CZ 3.47Å; L56-F170 VanDerWaalsContact CD2-CZ 3.47Å; L66-F170 VanDerWaalsContact CD1-CA 3.47Å; L66-F170 HydrophobicContact CD1-CB 3.62Å; L66-F170 HydrophobicContact CD1-CD2 4.3Å; L66-F170 HydrophobicContact CD1-CG 4.48Å; Y166-F170 PolarHBondContact O-N 3.04Å; F167-F170 HydrophobicContact CD2-CB 4.26Å; F167-F170 AromaticContact CD2-CD1 3.95Å; F167-F170 HydrophobicContact CD2-CD1 3.95Å; F167-F170 HydrophobicContact CD2-CG 4.4Å; F167-F170 AromaticContact CE2-CD1 3.61Å; F167-F170 HydrophobicContact CE2-CD1 3.61Å; F167-F170 HydrophobicContact CE2-CE1 4.15Å; F167-F170 HydrophobicContact CE2-CG 4.47Å; F167-F170 HydrophobicContact CZ-CD1 4.47Å; F167-F170 WeakPolarHBondContact O-CB 3.49Å; F167-F170 PolarHBondContact O-N 3.02Å; F167-F170 VanDerWaalsContact O-N 3.13Å; F170-Q172 VanDerWaalsContact C-N 3.35Å; F170-Q172 PolarHBondContact O-N 2.74Å; F170-W173 WeakPolarHBondContact O-CB 3.39Å; F170-W173 PolarHBondContact O-N 2.62Å; F170-K174 HydrophobicContact CE1-CB 4.46Å; F170-K174 HydrophobicContact CZ-CD 4.27Å; F170-K174 WeakPolarHBondContact O-CB 3.5Å; F170-K174 PolarHBondContact O-N 2.98Å
171	L	98.4	Very high	97.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.9	-37	178	-66	174.3	0	0	0	112.6	C42 L45 R46 F167 N168 R169 K174 W175	C42-L171 HydrophobicContact CB-CB 3.96Å; L45-L171 HydrophobicContact CB-CD2 4.28Å; R46-L171 HydrophobicContact CB-CD1 3.75Å; R46-L171 HydrophobicContact CG-CD1 4.09Å; F167-L171 HydrophobicContact CD1-CD1 4.18Å; F167-L171 HydrophobicContact CD1-CG 4.37Å; F167-L171 HydrophobicContact CE1-CD1 3.84Å; F167-L171 HydrophobicContact CE1-CD2 4.11Å; F167-L171 HydrophobicContact CE1-CG 4Å; F167-L171 HydrophobicContact CE2-CD2 4.46Å; F167-L171 HydrophobicContact CZ-CD1 4.42Å; F167-L171 HydrophobicContact CZ-CD2 3.84Å; F167-L171 HydrophobicContact CZ-CG 4.12Å; F167-L171 WeakPolarHBondContact O-CG 3.49Å; F167-L171 PolarHBondContact O-N 3.42Å; N168-L171 PolarHBondContact O-N 3.06Å; R169-L171 VanDerWaalsContact C-N 3.3Å; R169-L171 PolarHBondContact O-N 3.27Å; L171-K174 WeakPolarHBondContact O-CB 3.5Å; L171-K174 PolarHBondContact O-N 2.83Å; L171-W175 WeakPolarHBondContact O-CB 3.4Å; L171-W175 PolarHBondContact O-N 3.41Å
172	Q	98.4	Very high	97.4	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-41	172.8	-69.2	175.2	-49.9	0	0	112.3	F36 P37 I39 N168 R169 F170 K174 W175 L176 D536 L537	F36-Q172 HydrophobicContact CB-CB 4.43Å; F36-Q172 HydrophobicContact CD1-CB 3.67Å; F36-Q172 HydrophobicContact CE1-CB 4.22Å; F36-Q172 HydrophobicContact CG-CB 4.23Å; P37-Q172 HydrophobicContact CG-CB 4.38Å; P37-Q172 HydrophobicContact CG-CG 4.24Å; P37-Q172 PolarHBondContact O-NE2 2.61Å; I39-Q172 HydrophobicContact CD1-CG 4.26Å; N168-Q172 PolarHBondContact O-N 2.79Å; N168-Q172 VanDerWaalsContact O-N 3.17Å; R169-Q172 PolarHBondContact O-N 3.03Å; F170-Q172 VanDerWaalsContact C-N 3.35Å; F170-Q172 PolarHBondContact O-N 2.74Å; Q172-K174 VanDerWaalsContact C-N 3.33Å; Q172-W175 WeakPolarHBondContact O-CB 3.49Å; Q172-W175 PolarHBondContact O-N 3.19Å; Q172-L176 PolarHBondContact O-N 2.93Å; Q172-D536 PolarHBondContact NE2-O 3.29Å; Q172-D536 PolarHBondContact NE2-OD2 3.05Å; Q172-D536 PolarHBondContact OE1-OD2 2.7Å; Q172-L537 VanDerWaalsContact CD-CD2 3.48Å; Q172-L537 HydrophobicContact CG-CD2 4.34Å
173	W	98.6	Very high	97.3	Very high	3 Å²	3	43.1 Å²	43.1	1%	0.011	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-42	171.7	-81.4	111.9	0	0	0	111.8	F36 I62 R169 F170 W175 L176 E177 W511 M515 F521 L524 N525	F36-W173 AromaticContact CE1-CD2 3.74Å; F36-W173 HydrophobicContact CE1-CD2 3.74Å; F36-W173 AromaticContact CE1-CE2 3.66Å; F36-W173 HydrophobicContact CE1-CE3 4.2Å; F36-W173 HydrophobicContact CE1-CG 4.05Å; F36-W173 HydrophobicContact CE1-CH2 4.45Å; F36-W173 HydrophobicContact CE1-CZ2 4.04Å; F36-W173 AromaticContact CE1-NE1 3.92Å; F36-W173 HydrophobicContact CZ-CD2 4.03Å; F36-W173 AromaticContact CZ-CE2 3.43Å; F36-W173 VanDerWaalsContact CZ-CE2 3.43Å; F36-W173 HydrophobicContact CZ-CG 4.48Å; F36-W173 HydrophobicContact CZ-CH2 4.22Å; F36-W173 AromaticContact CZ-CZ2 3.54Å; F36-W173 HydrophobicContact CZ-CZ2 3.54Å; F36-W173 AromaticContact CZ-NE1 3.59Å; I62-W173 HydrophobicContact CD1-CB 4.48Å; I62-W173 HydrophobicContact CD1-CD2 3.86Å; I62-W173 HydrophobicContact CD1-CE3 3.78Å; I62-W173 HydrophobicContact CD1-CG 4.19Å; I62-W173 HydrophobicContact CD1-CZ3 4.34Å; I62-W173 HydrophobicContact CG2-CB 4.04Å; I62-W173 HydrophobicContact CG2-CD2 4.43Å; I62-W173 HydrophobicContact CG2-CG 3.83Å; R169-W173 VanDerWaalsContact O-CD1 3.27Å; R169-W173 PolarHBondContact O-N 3.28Å; F170-W173 WeakPolarHBondContact O-CB 3.39Å; F170-W173 PolarHBondContact O-N 2.62Å; W173-W175 VanDerWaalsContact C-N 3.29Å; W173-W175 PolarHBondContact O-N 3.28Å; W173-L176 HydrophobicContact CE3-CD1 4.21Å; W173-L176 HydrophobicContact CZ3-CD1 4.31Å; W173-L176 PolarHBondContact O-N 3.4Å; W173-E177 PolarHBondContact O-N 2.9Å; W173-W511 AromaticContact CE3-CH2 3.85Å; W173-W511 HydrophobicContact CE3-CH2 3.85Å; W173-W511 HydrophobicContact CE3-CZ3 4.08Å; W173-W511 HydrophobicContact CZ3-CH2 4.22Å; W173-M515 HydrophobicContact CE3-CG 4.44Å; W173-M515 HydrophobicContact CZ3-CB 4.16Å; W173-M515 HydrophobicContact CZ3-CG 3.89Å; W173-M515 HydrophobicContact CZ3-SD 4.28Å; W173-F521 HydrophobicContact CD2-CD2 4.37Å; W173-F521 AromaticContact CE2-CD2 3.57Å; W173-F521 AromaticContact CE2-CE2 3.97Å; W173-F521 HydrophobicContact CH2-CB 4.37Å; W173-F521 HydrophobicContact CH2-CD2 4.3Å; W173-F521 HydrophobicContact CZ2-CB 4.28Å; W173-F521 AromaticContact CZ2-CD2 3.55Å; W173-F521 HydrophobicContact CZ2-CD2 3.55Å; W173-F521 HydrophobicContact CZ2-CE2 4.29Å; W173-F521 HydrophobicContact CZ2-CG 4.29Å; W173-F521 AromaticContact NE1-CD2 3.7Å; W173-F521 AromaticContact NE1-CE2 3.58Å; W173-L524 HydrophobicContact CH2-CB 4.16Å; W173-L524 HydrophobicContact CH2-CD1 4.12Å; W173-L524 HydrophobicContact CZ2-CB 4.15Å; W173-N525 HydrophobicContact CZ2-CB 4.23Å; W173-N525 PolarHBondContact NE1-OD1 2.88Å
174	K	98.1	Very high	97.3	Very high	13 Å²	13	41.2 Å²	41.2	6%	0.057	20%	0.201	C	C	.	.	H	α-helix	trans	-63.6	-36.3	176.1	-160.8	64.4	170.2	177.2	0	111.9	F170 L171 Q172 E177 R178 S508	F170-K174 HydrophobicContact CE1-CB 4.46Å; F170-K174 HydrophobicContact CZ-CD 4.27Å; F170-K174 WeakPolarHBondContact O-CB 3.5Å; F170-K174 PolarHBondContact O-N 2.98Å; L171-K174 WeakPolarHBondContact O-CB 3.5Å; L171-K174 PolarHBondContact O-N 2.83Å; Q172-K174 VanDerWaalsContact C-N 3.33Å; K174-E177 WeakPolarHBondContact CD-OE1 3.22Å; K174-E177 VanDerWaalsContact CE-OE1 3.27Å; K174-E177 WeakPolarHBondContact CE-OE1 3.21Å; K174-E177 IonicContact NZ-OE1 3.83Å; K174-E177 PolarHBondContact NZ-OE1 3.14Å; K174-E177 IonicContact NZ-OE2 2.81Å; K174-E177 WeakPolarHBondContact O-CB 3.46Å; K174-E177 PolarHBondContact O-N 2.87Å; K174-R178 VanDerWaalsContact O-CG 3.25Å; K174-R178 WeakPolarHBondContact O-CG 3.2Å; K174-R178 PolarHBondContact O-N 2.99Å; K174-R178 VanDerWaalsContact O-N 3.13Å; K174-S508 PolarHBondContact NZ-OG 3.05Å
175	W	98.1	Very high	97.4	Very high	67 Å²	67	42.2 Å²	42.2	25%	0.254	21%	0.206	S	C	.	.	H	α-helix	trans	-64.5	-42.8	174.4	-172.7	98.4	0	0	0	112.1	P37 L45 L171 Q172 W173 R178 Q179	P37-W175 HydrophobicContact CB-CD2 3.84Å; P37-W175 HydrophobicContact CB-CE3 3.92Å; P37-W175 HydrophobicContact CB-CG 4.34Å; P37-W175 HydrophobicContact CB-CH2 4.36Å; P37-W175 HydrophobicContact CB-CZ2 4.27Å; P37-W175 HydrophobicContact CB-CZ3 4.18Å; P37-W175 HydrophobicContact CG-CB 3.95Å; P37-W175 HydrophobicContact CG-CD2 3.53Å; P37-W175 HydrophobicContact CG-CE3 3.58Å; P37-W175 HydrophobicContact CG-CG 3.7Å; P37-W175 HydrophobicContact CG-CZ3 4.28Å; L45-W175 HydrophobicContact CD1-CB 3.57Å; L45-W175 HydrophobicContact CD1-CG 4.11Å; L171-W175 WeakPolarHBondContact O-CB 3.4Å; L171-W175 PolarHBondContact O-N 3.41Å; Q172-W175 WeakPolarHBondContact O-CB 3.49Å; Q172-W175 PolarHBondContact O-N 3.19Å; W173-W175 VanDerWaalsContact C-N 3.29Å; W173-W175 PolarHBondContact O-N 3.28Å; W175-R178 PolarHBondContact O-N 2.91Å; W175-Q179 VanDerWaalsContact CD2-NE2 3.3Å; W175-Q179 HydrophobicContact CE3-CG 4.12Å; W175-Q179 VanDerWaalsContact CH2-CD 3.42Å; W175-Q179 HydrophobicContact CH2-CG 4.28Å; W175-Q179 VanDerWaalsContact CZ2-NE2 3.28Å; W175-Q179 VanDerWaalsContact CZ3-CD 3.46Å; W175-Q179 HydrophobicContact CZ3-CG 3.84Å; W175-Q179 PolarHBondContact O-N 3.22Å; W175-Q179 PolarHBondContact O-NE2 3.01Å
176	L	98.4	Very high	97.6	Very high	10 Å²	10	40.9 Å²	40.9	5%	0.052	20%	0.199	C	C	.	.	H	α-helix	trans	-63.2	-42.6	174.1	-72.9	176.5	0	0	0	112	F36 Q172 W173 R178 Q179 W511	F36-L176 HydrophobicContact CD1-CD1 3.55Å; F36-L176 HydrophobicContact CD1-CG 4.33Å; F36-L176 HydrophobicContact CE1-CD1 3.62Å; Q172-L176 PolarHBondContact O-N 2.93Å; W173-L176 HydrophobicContact CE3-CD1 4.21Å; W173-L176 HydrophobicContact CZ3-CD1 4.31Å; W173-L176 PolarHBondContact O-N 3.4Å; L176-R178 PolarHBondContact O-N 2.89Å; L176-Q179 WeakPolarHBondContact O-CB 3.41Å; L176-Q179 WeakPolarHBondContact O-CG 3.49Å; L176-Q179 PolarHBondContact O-N 3.18Å; L176-W511 HydrophobicContact CB-CH2 3.84Å; L176-W511 HydrophobicContact CB-CZ2 4.1Å
177	E	98	Very high	97.5	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.019	21%	0.208	C	C	.	.	H	α-helix	trans	-56.9	-39.5	176.6	-175.7	-169.5	90.3	0	0	111.8	W173 K174 Q179 S506 S508 W511 Q512	W173-E177 PolarHBondContact O-N 2.9Å; K174-E177 WeakPolarHBondContact CD-OE1 3.22Å; K174-E177 VanDerWaalsContact CE-OE1 3.27Å; K174-E177 WeakPolarHBondContact CE-OE1 3.21Å; K174-E177 IonicContact NZ-OE1 3.83Å; K174-E177 PolarHBondContact NZ-OE1 3.14Å; K174-E177 IonicContact NZ-OE2 2.81Å; K174-E177 WeakPolarHBondContact O-CB 3.46Å; K174-E177 PolarHBondContact O-N 2.87Å; E177-Q179 VanDerWaalsContact C-N 3.32Å; E177-Q179 PolarHBondContact O-N 2.85Å; E177-S506 VanDerWaalsContact O-CB 3.29Å; E177-S506 WeakPolarHBondContact O-CB 3.5Å; E177-S506 PolarHBondContact O-OG 3.29Å; E177-S508 VanDerWaalsContact CD-OG 3.24Å; E177-S508 WeakPolarHBondContact OE1-CB 3.33Å; E177-S508 PolarHBondContact OE1-OG 3.13Å; E177-S508 WeakPolarHBondContact OE2-CA 3.44Å; E177-S508 VanDerWaalsContact OE2-CB 3.29Å; E177-S508 WeakPolarHBondContact OE2-CB 3.13Å; E177-S508 PolarHBondContact OE2-OG 2.97Å; E177-W511 HydrophobicContact CB-CD2 3.98Å; E177-W511 HydrophobicContact CB-CE3 3.69Å; E177-W511 HydrophobicContact CB-CH2 4.02Å; E177-W511 HydrophobicContact CB-CZ2 4.28Å; E177-W511 HydrophobicContact CB-CZ3 3.72Å; E177-W511 HydrophobicContact CG-CB 4.47Å; E177-W511 HydrophobicContact CG-CD2 3.87Å; E177-W511 HydrophobicContact CG-CE3 3.76Å; E177-W511 HydrophobicContact CG-CG 4.18Å; E177-W511 HydrophobicContact CG-CZ3 4.31Å; E177-Q512 PolarHBondContact OE2-NE2 3.38Å
178	R	96.4	Very high	97.4	Very high	154 Å²	154	48 Å²	48	58%	0.581	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	0.5	-176.8	-67	-71	177.7	93.9	-3.3	114.5	K174 W175 L176	K174-R178 VanDerWaalsContact O-CG 3.25Å; K174-R178 WeakPolarHBondContact O-CG 3.2Å; K174-R178 PolarHBondContact O-N 2.99Å; K174-R178 VanDerWaalsContact O-N 3.13Å; W175-R178 PolarHBondContact O-N 2.91Å; L176-R178 PolarHBondContact O-N 2.89Å
179	Q	97	Very high	97.2	Very high	72 Å²	72	49.3 Å²	49.3	34%	0.336	23%	0.234	S	C	.	.	S	Bend	trans	-64.8	145.9	176.9	-66.4	-53.5	-65.5	0	0	111.8	W175 L176 E177 V181	W175-Q179 VanDerWaalsContact CD2-NE2 3.3Å; W175-Q179 HydrophobicContact CE3-CG 4.12Å; W175-Q179 VanDerWaalsContact CH2-CD 3.42Å; W175-Q179 HydrophobicContact CH2-CG 4.28Å; W175-Q179 VanDerWaalsContact CZ2-NE2 3.28Å; W175-Q179 VanDerWaalsContact CZ3-CD 3.46Å; W175-Q179 HydrophobicContact CZ3-CG 3.84Å; W175-Q179 PolarHBondContact O-N 3.22Å; W175-Q179 PolarHBondContact O-NE2 3.01Å; L176-Q179 WeakPolarHBondContact O-CB 3.41Å; L176-Q179 WeakPolarHBondContact O-CG 3.49Å; L176-Q179 PolarHBondContact O-N 3.18Å; E177-Q179 VanDerWaalsContact C-N 3.32Å; E177-Q179 PolarHBondContact O-N 2.85Å; Q179-V181 PolarHBondContact O-N 2.83Å
180	P	96.1	Very high	96.9	Very high	108 Å²	108	49.8 Å²	49.8	70%	0.701	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-57.4	132.4	-178.1	-26.3	34.5	0	0	0	113.4
181	V	97.3	Very high	96.6	Very high	21 Å²	21	51 Å²	51	13%	0.127	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-96.6	129.8	176.3	-178.3	0	0	0	0	109.2	Q179 F186 Y251 Y253	Q179-V181 PolarHBondContact O-N 2.83Å; V181-F186 HydrophobicContact CG1-CE2 3.61Å; V181-F186 HydrophobicContact CG1-CZ 3.88Å; V181-Y251 HydrophobicContact CG1-CD1 4.11Å; V181-Y251 HydrophobicContact CG2-CD1 3.79Å; V181-Y251 HydrophobicContact CG2-CE1 4.3Å; V181-Y253 HydrophobicContact CG1-CD1 3.94Å; V181-Y253 HydrophobicContact CG1-CG 4.05Å
182	T	96.1	Very high	96.2	Very high	60 Å²	60	53 Å²	53	37%	0.368	25%	0.254	S	S	.	.			trans	-136.9	174.5	178.5	69.5	0	0	0	0	110.4	N184 T185	T182-N184 PolarHBondContact O-N 2.77Å; T182-N184 PolarHBondContact OG1-N 3.39Å; T182-T185 PolarHBondContact N-OG1 3.01Å; T182-T185 VanDerWaalsContact O-CB 3.27Å; T182-T185 WeakPolarHBondContact O-CB 3.48Å; T182-T185 PolarHBondContact O-N 2.93Å; T182-T185 PolarHBondContact O-OG1 3.31Å
183	K	95.9	Very high	95.8	Very high	136 Å²	136	54 Å²	54	59%	0.591	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-52.1	-26.2	170.9	71	177.7	-177	179.1	0	113.6	T185 F186 Y253 T255	K183-T185 VanDerWaalsContact C-N 3.28Å; K183-T185 PolarHBondContact O-N 3.06Å; K183-F186 PolarHBondContact O-N 2.81Å; K183-Y253 HydrophobicContact CB-CE2 4.49Å; K183-T255 HydrophobicContact CB-CG2 4.39Å
184	N	96.6	Very high	95.2	Very high	103 Å²	103	57.4 Å²	57.4	55%	0.551	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-77.4	-13.5	-177.9	-65.5	-29.7	0	0	0	113.4	T182 F186 R206	T182-N184 PolarHBondContact O-N 2.77Å; T182-N184 PolarHBondContact OG1-N 3.39Å; N184-F186 PolarHBondContact O-N 2.91Å; N184-R206 WeakPolarHBondContact O-CD 3.39Å; N184-R206 PolarHBondContact O-NH1 3.28Å
185	T	98.1	Very high	94.5	Very high	38 Å²	38	57.7 Å²	57.7	23%	0.233	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-66.9	-27.8	173.4	-54.2	0	0	0	0	111.1	T182 K183 V205 R206	T182-T185 PolarHBondContact N-OG1 3.01Å; T182-T185 VanDerWaalsContact O-CB 3.27Å; T182-T185 WeakPolarHBondContact O-CB 3.48Å; T182-T185 PolarHBondContact O-N 2.93Å; T182-T185 PolarHBondContact O-OG1 3.31Å; K183-T185 VanDerWaalsContact C-N 3.28Å; K183-T185 PolarHBondContact O-N 3.06Å; T185-V205 HydrophobicContact CG2-CG1 4.48Å; T185-R206 WeakPolarHBondContact O-CB 3.33Å; T185-R206 WeakPolarHBondContact O-CG 3.48Å; T185-R206 PolarHBondContact O-N 3.05Å
186	F	98.1	Very high	93.8	Very high	13 Å²	13	56.5 Å²	56.5	6%	0.057	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	154	-170.5	-51	-82.5	0	0	0	113.3	V181 K183 N184 C203 Q204 V205 Y251 Y253 V262	V181-F186 HydrophobicContact CG1-CE2 3.61Å; V181-F186 HydrophobicContact CG1-CZ 3.88Å; K183-F186 PolarHBondContact O-N 2.81Å; N184-F186 PolarHBondContact O-N 2.91Å; F186-C203 HydrophobicContact CB-CB 4.38Å; F186-Q204 CarbonylContact C-O 3.45Å; F186-Q204 VanDerWaalsContact CA-O 3.26Å; F186-Q204 WeakPolarHBondContact CA-O 3.47Å; F186-V205 HydrophobicContact CD1-CG2 3.88Å; F186-V205 HydrophobicContact CE1-CG2 3.64Å; F186-Y251 AromaticContact CE1-CD2 3.83Å; F186-Y251 HydrophobicContact CE1-CD2 3.83Å; F186-Y251 HydrophobicContact CE1-CE2 4.02Å; F186-Y251 HydrophobicContact CE1-CG 4.3Å; F186-Y251 HydrophobicContact CZ-CD1 4.25Å; F186-Y251 AromaticContact CZ-CD2 3.77Å; F186-Y251 HydrophobicContact CZ-CD2 3.77Å; F186-Y251 HydrophobicContact CZ-CE2 4.25Å; F186-Y251 AromaticContact CZ-CG 3.76Å; F186-Y251 HydrophobicContact CZ-CG 3.76Å; F186-Y253 AromaticContact CD2-CE1 3.82Å; F186-Y253 HydrophobicContact CD2-CE1 3.82Å; F186-Y253 AromaticContact CD2-CZ 3.92Å; F186-Y253 AromaticContact CE2-CD1 3.81Å; F186-Y253 HydrophobicContact CE2-CD1 3.81Å; F186-Y253 AromaticContact CE2-CE1 3.34Å; F186-Y253 HydrophobicContact CE2-CE1 3.34Å; F186-Y253 AromaticContact CE2-CZ 3.89Å; F186-Y253 HydrophobicContact CZ-CD1 4.45Å; F186-Y253 HydrophobicContact CZ-CE1 4.12Å; F186-V262 HydrophobicContact CE1-CG1 4.07Å; F186-V262 HydrophobicContact CE1-CG2 4.06Å; F186-V262 HydrophobicContact CE2-CG2 4.29Å; F186-V262 HydrophobicContact CZ-CG2 3.81Å
187	R	96.6	Very high	93.4	Very high	78 Å²	78	57.3 Å²	57.3	29%	0.294	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	137.2	157.4	-56.8	-178.2	-175.3	108.7	0.8	108.1	G25 Y189 C203 Q204 R206	G25-R187 PolarHBondContact O-NH1 3.36Å; R187-Y189 HydrophobicContact CB-CE2 3.93Å; R187-C203 CarbonylContact O-C 3.35Å; R187-C203 WeakPolarHBondContact O-CA 3.13Å; R187-C203 WeakPolarHBondContact O-CB 3.42Å; R187-Q204 HydrophobicContact CB-CB 4.47Å; R187-Q204 PolarHBondContact N-O 3.35Å; R187-Q204 PolarHBondContact O-N 3.07Å; R187-R206 HydrophobicContact CG-CG 3.69Å
188	Q	94.9	Very high	93	Very high	104 Å²	104	57.3 Å²	57.3	49%	0.486	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	146.5	175.9	-66.4	-171.9	9.9	0	0	110.9
189	Y	94.3	Very high	92.8	Very high	49 Å²	49	53.4 Å²	53.4	19%	0.192	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	-160.3	177.9	-66.1	-95.4	0	0	0	109.1	V11 L12 A15 R187 A202 Q204 M211	V11-Y189 HydrophobicContact CG1-CD1 3.82Å; V11-Y189 HydrophobicContact CG1-CE1 3.8Å; L12-Y189 HydrophobicContact CD1-CG 4.5Å; A15-Y189 HydrophobicContact CB-CD1 4.24Å; A15-Y189 HydrophobicContact CB-CE1 3.49Å; A15-Y189 VanDerWaalsContact CB-CE1 3.49Å; R187-Y189 HydrophobicContact CB-CE2 3.93Å; Y189-A202 WeakPolarHBondContact CB-O 3.5Å; Y189-A202 PolarHBondContact N-O 3.47Å; Y189-Q204 HydrophobicContact CE2-CB 3.58Å; Y189-Q204 PolarHBondContact OH-OE1 3.01Å; Y189-M211 HydrophobicContact CD2-CE 4.28Å; Y189-M211 HydrophobicContact CE2-CE 4.4Å; Y189-M211 HydrophobicContact CE2-SD 4.42Å
190	R	90.6	Very high	92.7	Very high	12 Å²	12	51.6 Å²	51.6	5%	0.045	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	152.7	-176.9	69.2	167.4	-73.1	-173.6	-3.8	113.5	A8 N9 L12 L192 C201 A202 I472 K475 V477	A8-R190 HydrophobicContact CB-CB 3.94Å; N9-R190 WeakPolarHBondContact OD1-CD 3.45Å; N9-R190 VanDerWaalsContact OD1-CZ 3.31Å; N9-R190 PolarHBondContact OD1-NH1 3.44Å; L12-R190 HydrophobicContact CB-CG 4.24Å; L12-R190 HydrophobicContact CD2-CG 3.69Å; L12-R190 HydrophobicContact CG-CG 4.46Å; R190-L192 HydrophobicContact CG-CD2 4.3Å; R190-C201 WeakPolarHBondContact O-CA 3.42Å; R190-A202 PolarHBondContact O-N 2.91Å; R190-I472 VanDerWaalsContact NH1-CG2 3.28Å; R190-K475 PolarHBondContact NH2-O 3.37Å; R190-V477 HydrophobicContact CB-CG2 4.36Å
191	V	92	Very high	92.7	Very high	26 Å²	26	46.5 Å²	46.5	16%	0.158	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	134.4	166.4	-177.1	0	0	0	0	108.6	G193 E199 V200 I480	V191-G193 WeakPolarHBondContact CG1-O 3.27Å; V191-E199 HydrophobicContact CG1-CB 4.21Å; V191-V200 WeakPolarHBondContact CG1-O 3.34Å; V191-I480 HydrophobicContact CB-CD1 4.27Å; V191-I480 HydrophobicContact CG1-CD1 3.87Å; V191-I480 HydrophobicContact CG1-CG2 4.22Å
192	L	90.8	Very high	92.6	Very high	41 Å²	41	45.5 Å²	45.5	22%	0.215	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-34	179.5	-58.2	176.3	0	0	0	111	L12 R190 V200 A202 A213 L265	L12-L192 HydrophobicContact CD2-CD2 4.27Å; R190-L192 HydrophobicContact CG-CD2 4.3Å; L192-V200 PolarHBondContact N-O 2.9Å; L192-A202 HydrophobicContact CD1-CB 4.12Å; L192-A202 HydrophobicContact CD2-CB 4.27Å; L192-A202 HydrophobicContact CG-CB 4.31Å; L192-A213 HydrophobicContact CD1-CB 4.44Å; L192-L265 HydrophobicContact CD1-CD1 3.58Å
193	G	89.1	Confident	92.7	Very high	22 Å²	22	42.7 Å²	42.7	23%	0.227	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	-177.2	-179.1	0	0	0	0	0	113.5	V191 V200	V191-G193 WeakPolarHBondContact CG1-O 3.27Å; G193-V200 PolarHBondContact N-O 2.81Å; G193-V200 PolarHBondContact O-N 2.83Å
194	K	86.4	Confident	92.8	Very high	74 Å²	74	36.5 Å²	36.5	32%	0.322	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.2	-177.6	-177.1	-168.7	-171.4	167.5	0	109.5	I480 E481 F483	K194-I480 HydrophobicContact CB-CG2 4.03Å; K194-E481 HydrophobicContact CD-CB 4.19Å; K194-E481 WeakPolarHBondContact CD-O 3.41Å; K194-E481 VanDerWaalsContact CE-O 3.22Å; K194-E481 WeakPolarHBondContact CE-O 3.2Å; K194-E481 PolarHBondContact NZ-O 2.87Å; K194-E481 IonicContact NZ-OE2 3.75Å; K194-E481 PolarHBondContact NZ-OE2 2.85Å; K194-F483 HydrophobicContact CD-CE2 4.04Å; K194-F483 HydrophobicContact CD-CZ 4.09Å; K194-F483 HydrophobicContact CG-CD2 4.31Å; K194-F483 HydrophobicContact CG-CE2 3.56Å; K194-F483 HydrophobicContact CG-CZ 3.89Å
195	G	83.6	Confident	92.9	Very high	19 Å²	19	31.8 Å²	31.8	20%	0.196	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-178.6	173.3	0	0	0	0	0	112.4	F197 G198 F483	G195-F197 VanDerWaalsContact C-N 3.31Å; G195-F197 PolarHBondContact O-N 2.84Å; G195-G198 PolarHBondContact N-O 3.43Å; G195-F483 WeakPolarHBondContact O-CE2 3.39Å; G195-F483 WeakPolarHBondContact O-CZ 3.31Å
196	G	83.8	Confident	92.8	Very high	43 Å²	43	34.1 Å²	34.1	44%	0.443	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.8	-176.7	0	0	0	0	0	115	R225	G196-R225 PolarHBondContact O-NH1 2.67Å
197	F	88.8	Confident	92.8	Very high	27 Å²	27	34 Å²	34	12%	0.118	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	2.7	-175.1	-61	-75.9	0	0	0	114.8	G195 L217 E218 R221 I222 R225 M230	G195-F197 VanDerWaalsContact C-N 3.31Å; G195-F197 PolarHBondContact O-N 2.84Å; F197-L217 HydrophobicContact CB-CB 4.14Å; F197-L217 HydrophobicContact CB-CD2 3.9Å; F197-L217 HydrophobicContact CD2-CD2 4.49Å; F197-E218 PolarHBondContact O-N 3.3Å; F197-R221 HydrophobicContact CD1-CG 4.47Å; F197-I222 HydrophobicContact CB-CG1 4.37Å; F197-I222 HydrophobicContact CD1-CG1 4.07Å; F197-I222 HydrophobicContact CG-CG1 4.29Å; F197-R225 HydrophobicContact CE1-CB 3.99Å; F197-M230 HydrophobicContact CE2-CG 4.49Å; F197-M230 HydrophobicContact CE2-SD 3.68Å; F197-M230 HydrophobicContact CZ-SD 4.01Å
198	G	90.9	Very high	92.8	Very high	3 Å²	3	30.4 Å²	30.4	3%	0.031	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.5	-151	-179.5	0	0	0	0	0	112.1	G195 K216	G195-G198 PolarHBondContact N-O 3.43Å; G198-K216 CarbonylContact C-O 3.12Å; G198-K216 VanDerWaalsContact CA-O 3.28Å; G198-K216 WeakPolarHBondContact CA-O 3.19Å
199	E	92.8	Very high	92.9	Very high	73 Å²	73	25.9 Å²	25.9	34%	0.341	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	159.9	-173.5	63.5	178.2	-157.7	0	0	112.4	V191 K216	V191-E199 HydrophobicContact CG1-CB 4.21Å; E199-K216 HydrophobicContact CG-CB 4.33Å; E199-K216 HydrophobicContact CG-CD 4.12Å; E199-K216 PolarHBondContact N-O 2.83Å; E199-K216 PolarHBondContact O-N 3.15Å; E199-K216 IonicContact OE1-NZ 2.71Å; E199-K216 PolarHBondContact OE1-NZ 2.89Å
200	V	94.4	Very high	93	Very high	33 Å²	33	26.6 Å²	26.6	20%	0.2	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.1	168.1	-175.7	0	0	0	0	107.6	V191 L192 G193 A213 C214 K215	V191-V200 WeakPolarHBondContact CG1-O 3.34Å; L192-V200 PolarHBondContact N-O 2.9Å; G193-V200 PolarHBondContact N-O 2.81Å; G193-V200 PolarHBondContact O-N 2.83Å; V200-A213 HydrophobicContact CG1-CB 4.02Å; V200-C214 WeakPolarHBondContact CA-O 3.47Å; V200-K215 HydrophobicContact CG2-CB 4.18Å; V200-K215 HydrophobicContact CG2-CG 4.02Å
201	C	94.9	Very high	93.2	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	152.6	176	69.9	0	0	0	0	111.6	R190 A213 C214 K216	R190-C201 WeakPolarHBondContact O-CA 3.42Å; C201-A213 CarbonylContact O-C 3.52Å; C201-C214 PolarHBondContact N-O 2.85Å; C201-C214 PolarHBondContact O-N 2.93Å; C201-K216 WeakPolarHBondContact SG-CE 3.17Å
202	A	96.3	Very high	93.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	142.8	168.6	0	0	0	0	0	110.2	L12 Y189 R190 L192 M211 Y212	L12-A202 HydrophobicContact CD1-CB 3.69Å; Y189-A202 WeakPolarHBondContact CB-O 3.5Å; Y189-A202 PolarHBondContact N-O 3.47Å; R190-A202 PolarHBondContact O-N 2.91Å; L192-A202 HydrophobicContact CD1-CB 4.12Å; L192-A202 HydrophobicContact CD2-CB 4.27Å; L192-A202 HydrophobicContact CG-CB 4.31Å; A202-M211 HydrophobicContact CB-CE 4.44Å; A202-Y212 WeakPolarHBondContact CA-O 3.4Å
203	C	97.5	Very high	93.8	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	161.7	173.6	69.8	0	0	0	0	111.5	F186 R187 M211 Y212 C214	F186-C203 HydrophobicContact CB-CB 4.38Å; R187-C203 CarbonylContact O-C 3.35Å; R187-C203 WeakPolarHBondContact O-CA 3.13Å; R187-C203 WeakPolarHBondContact O-CB 3.42Å; C203-M211 WeakPolarHBondContact O-CA 3.41Å; C203-Y212 PolarHBondContact N-O 3.38Å; C203-Y212 PolarHBondContact O-N 2.95Å; C203-C214 HydrophobicContact CB-CB 4.25Å
204	Q	97.8	Very high	94.3	Very high	6 Å²	6	24 Å²	24	3%	0.028	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.4	177.3	-169.8	-178.2	55.3	0	0	110.6	F186 R187 Y189 R206 G209 K210 M211	F186-Q204 CarbonylContact C-O 3.45Å; F186-Q204 VanDerWaalsContact CA-O 3.26Å; F186-Q204 WeakPolarHBondContact CA-O 3.47Å; R187-Q204 HydrophobicContact CB-CB 4.47Å; R187-Q204 PolarHBondContact N-O 3.35Å; R187-Q204 PolarHBondContact O-N 3.07Å; Y189-Q204 HydrophobicContact CE2-CB 3.58Å; Y189-Q204 PolarHBondContact OH-OE1 3.01Å; Q204-R206 PolarHBondContact O-N 3.46Å; Q204-G209 VanDerWaalsContact CG-O 3.27Å; Q204-G209 WeakPolarHBondContact CG-O 3.37Å; Q204-G209 PolarHBondContact NE2-O 3.43Å; Q204-K210 CarbonylContact C-O 3.59Å; Q204-K210 VanDerWaalsContact CA-O 3.3Å; Q204-K210 WeakPolarHBondContact CA-O 3.37Å; Q204-K210 WeakPolarHBondContact CG-O 3.43Å; Q204-M211 HydrophobicContact CB-SD 3.63Å; Q204-M211 HydrophobicContact CG-SD 3.74Å
205	V	98.3	Very high	94.8	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.024	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	123.4	171.6	177.5	0	0	0	0	108.9	T185 F186 A207 T208 G209 K210 Y212 Y251 E514	T185-V205 HydrophobicContact CG2-CG1 4.48Å; F186-V205 HydrophobicContact CD1-CG2 3.88Å; F186-V205 HydrophobicContact CE1-CG2 3.64Å; V205-A207 VanDerWaalsContact C-N 3.33Å; V205-A207 HydrophobicContact CG1-CB 4.46Å; V205-A207 PolarHBondContact O-N 3.28Å; V205-T208 WeakPolarHBondContact CB-OG1 3.41Å; V205-T208 HydrophobicContact CG1-CG2 4.24Å; V205-T208 WeakPolarHBondContact CG1-OG1 3.36Å; V205-G209 WeakPolarHBondContact O-CA 3.11Å; V205-G209 PolarHBondContact O-N 2.85Å; V205-K210 PolarHBondContact N-O 2.76Å; V205-Y212 HydrophobicContact CG2-CD2 3.91Å; V205-Y212 HydrophobicContact CG2-CE2 3.91Å; V205-Y251 HydrophobicContact CG2-CE2 3.81Å; V205-E514 WeakPolarHBondContact CB-OE1 3.46Å; V205-E514 WeakPolarHBondContact CG1-OE1 3.25Å; V205-E514 WeakPolarHBondContact CG2-OE1 3.43Å
206	R	97.6	Very high	95.3	Very high	87 Å²	87	22 Å²	22	33%	0.328	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-35.2	-173	-72	173.3	76	-172.8	4.9	113.2	S27 N184 T185 R187 Q204	S27-R206 WeakPolarHBondContact CB-O 3.32Å; S27-R206 PolarHBondContact N-O 3.45Å; N184-R206 WeakPolarHBondContact O-CD 3.39Å; N184-R206 PolarHBondContact O-NH1 3.28Å; T185-R206 WeakPolarHBondContact O-CB 3.33Å; T185-R206 WeakPolarHBondContact O-CG 3.48Å; T185-R206 PolarHBondContact O-N 3.05Å; R187-R206 HydrophobicContact CG-CG 3.69Å; Q204-R206 PolarHBondContact O-N 3.46Å
207	A	97.4	Very high	95.9	Very high	12 Å²	12	20.1 Å²	20.1	10%	0.099	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-47.6	-177	0	0	0	0	0	111.2	K26 W30 M33 L34 V205	K26-A207 WeakPolarHBondContact CG-O 3.35Å; W30-A207 WeakPolarHBondContact CB-O 3.5Å; M33-A207 HydrophobicContact CB-CB 4.27Å; M33-A207 HydrophobicContact SD-CB 4.39Å; L34-A207 HydrophobicContact CD1-CB 4Å; L34-A207 HydrophobicContact CD2-CB 4.21Å; L34-A207 HydrophobicContact CG-CB 3.94Å; V205-A207 VanDerWaalsContact C-N 3.33Å; V205-A207 HydrophobicContact CG1-CB 4.46Å; V205-A207 PolarHBondContact O-N 3.28Å
208	T	97.3	Very high	96.2	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.012	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-23.6	-170.8	63.9	0	0	0	0	113.9	K26 L34 V205 K210 E514 M515	K26-T208 WeakPolarHBondContact CG-O 3.38Å; L34-T208 HydrophobicContact CD1-CG2 4.43Å; V205-T208 WeakPolarHBondContact CB-OG1 3.41Å; V205-T208 HydrophobicContact CG1-CG2 4.24Å; V205-T208 WeakPolarHBondContact CG1-OG1 3.36Å; T208-K210 VanDerWaalsContact C-N 3.26Å; T208-K210 PolarHBondContact OG1-N 3.38Å; T208-E514 VanDerWaalsContact CB-OE1 3.26Å; T208-E514 WeakPolarHBondContact CB-OE1 3.36Å; T208-E514 HydrophobicContact CG2-CG 4.17Å; T208-E514 WeakPolarHBondContact CG2-OE1 3.28Å; T208-E514 PolarHBondContact OG1-OE1 3.33Å; T208-M515 HydrophobicContact CG2-CE 3.38Å; T208-M515 HydrophobicContact CG2-SD 3.85Å
209	G	95.8	Very high	96.4	Very high	9 Å²	9	22.4 Å²	22.4	9%	0.093	11%	0.108	C	C	.	.			trans	80.5	-0.3	-172	0	0	0	0	0	114.3	Q204 V205	Q204-G209 VanDerWaalsContact CG-O 3.27Å; Q204-G209 WeakPolarHBondContact CG-O 3.37Å; Q204-G209 PolarHBondContact NE2-O 3.43Å; V205-G209 WeakPolarHBondContact O-CA 3.11Å; V205-G209 PolarHBondContact O-N 2.85Å
210	K	96.3	Very high	96.5	Very high	63 Å²	63	23.2 Å²	23.2	27%	0.274	11%	0.11	S	C	.	.			trans	-65.9	134.9	-179.6	-170.2	74.2	-177.5	-173.3	0	111.3	Q204 V205 T208 Y212 E514 E517 T518	Q204-K210 CarbonylContact C-O 3.59Å; Q204-K210 VanDerWaalsContact CA-O 3.3Å; Q204-K210 WeakPolarHBondContact CA-O 3.37Å; Q204-K210 WeakPolarHBondContact CG-O 3.43Å; V205-K210 PolarHBondContact N-O 2.76Å; T208-K210 VanDerWaalsContact C-N 3.26Å; T208-K210 PolarHBondContact OG1-N 3.38Å; K210-Y212 HydrophobicContact CB-CD2 4.41Å; K210-Y212 HydrophobicContact CB-CE2 3.79Å; K210-Y212 HydrophobicContact CG-CD2 4.08Å; K210-Y212 HydrophobicContact CG-CE2 3.37Å; K210-E514 HydrophobicContact CB-CG 3.67Å; K210-E514 HydrophobicContact CG-CG 3.9Å; K210-E517 WeakPolarHBondContact CE-OE2 3.31Å; K210-E517 IonicContact NZ-OE2 3.69Å; K210-E517 PolarHBondContact NZ-OE2 3.24Å; K210-T518 HydrophobicContact CB-CG2 3.89Å; K210-T518 HydrophobicContact CD-CG2 4.14Å
211	M	96.4	Very high	96.5	Very high	26 Å²	26	22.2 Å²	22.2	13%	0.128	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	139.8	176.5	-65.2	-66	-65.8	0	0	111.2	L12 A15 Y189 A202 C203 Q204 L265	L12-M211 HydrophobicContact CD1-CE 3.7Å; A15-M211 HydrophobicContact CB-CE 4.13Å; A15-M211 HydrophobicContact CB-SD 4.01Å; Y189-M211 HydrophobicContact CD2-CE 4.28Å; Y189-M211 HydrophobicContact CE2-CE 4.4Å; Y189-M211 HydrophobicContact CE2-SD 4.42Å; A202-M211 HydrophobicContact CB-CE 4.44Å; C203-M211 WeakPolarHBondContact O-CA 3.41Å; Q204-M211 HydrophobicContact CB-SD 3.63Å; Q204-M211 HydrophobicContact CG-SD 3.74Å; M211-L265 HydrophobicContact CB-CD2 3.72Å; M211-L265 HydrophobicContact CE-CD2 4.26Å
212	Y	97.9	Very high	96.5	Very high	13 Å²	13	22.2 Å²	22.2	5%	0.051	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	168.2	178.5	-73.9	-79.8	0	0	0	111.2	A202 C203 V205 K210 A250 Y251 V262 L263 E514	A202-Y212 WeakPolarHBondContact CA-O 3.4Å; C203-Y212 PolarHBondContact N-O 3.38Å; C203-Y212 PolarHBondContact O-N 2.95Å; V205-Y212 HydrophobicContact CG2-CD2 3.91Å; V205-Y212 HydrophobicContact CG2-CE2 3.91Å; K210-Y212 HydrophobicContact CB-CD2 4.41Å; K210-Y212 HydrophobicContact CB-CE2 3.79Å; K210-Y212 HydrophobicContact CG-CD2 4.08Å; K210-Y212 HydrophobicContact CG-CE2 3.37Å; Y212-A250 HydrophobicContact CD1-CB 4.19Å; Y212-A250 HydrophobicContact CE1-CB 3.53Å; Y212-Y251 HydrophobicContact CE2-CE2 4.25Å; Y212-V262 HydrophobicContact CD1-CG1 4.04Å; Y212-V262 HydrophobicContact CD2-CG1 4.11Å; Y212-V262 HydrophobicContact CG-CG1 3.59Å; Y212-L263 VanDerWaalsContact CD1-O 3.32Å; Y212-L263 WeakPolarHBondContact CD1-O 3.48Å; Y212-E514 HydrophobicContact CE2-CG 4.46Å; Y212-E514 WeakPolarHBondContact CE2-OE2 3.3Å; Y212-E514 PolarHBondContact OH-OE2 3.35Å
213	A	97.6	Very high	96.4	Very high	9 Å²	9	24.4 Å²	24.4	7%	0.074	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	136.1	163.5	0	0	0	0	0	109.4	L192 V200 C201 V262 L263 L265	L192-A213 HydrophobicContact CD1-CB 4.44Å; V200-A213 HydrophobicContact CG1-CB 4.02Å; C201-A213 CarbonylContact O-C 3.52Å; A213-V262 CarbonylContact O-C 3.58Å; A213-V262 WeakPolarHBondContact O-CA 3.21Å; A213-L263 PolarHBondContact N-O 3.13Å; A213-L263 PolarHBondContact O-N 3.29Å; A213-L265 HydrophobicContact CB-CD1 4.04Å
214	C	97.8	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	105.1	175.3	-178	0	0	0	0	109.2	V200 C201 C203 K216 L261	V200-C214 WeakPolarHBondContact CA-O 3.47Å; C201-C214 PolarHBondContact N-O 2.85Å; C201-C214 PolarHBondContact O-N 2.93Å; C203-C214 HydrophobicContact CB-CB 4.25Å; C214-K216 PolarHBondContact O-N 3.1Å; C214-L261 WeakPolarHBondContact CA-O 3.4Å
215	K	96.9	Very high	96	Very high	20 Å²	20	37.1 Å²	37.1	9%	0.087	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	107.5	171.9	-172	-179.7	-164.5	-170.3	0	108	V200 L217 E234 L261 L263 D329	V200-K215 HydrophobicContact CG2-CB 4.18Å; V200-K215 HydrophobicContact CG2-CG 4.02Å; K215-L217 HydrophobicContact CD-CD2 4.27Å; K215-L217 HydrophobicContact CG-CD2 4.01Å; K215-E234 IonicContact NZ-OE1 2.63Å; K215-E234 PolarHBondContact NZ-OE1 3.42Å; K215-E234 IonicContact NZ-OE2 2.67Å; K215-E234 PolarHBondContact NZ-OE2 3.4Å; K215-L261 HydrophobicContact CB-CB 4.38Å; K215-L261 PolarHBondContact N-O 3.32Å; K215-L261 PolarHBondContact O-N 3.24Å; K215-L263 HydrophobicContact CB-CD1 4.19Å; K215-L263 HydrophobicContact CD-CD1 4.43Å; K215-D329 IonicContact NZ-OD1 2.67Å; K215-D329 PolarHBondContact NZ-OD1 3.29Å
216	K	95.9	Very high	95.8	Very high	30 Å²	30	45.3 Å²	45.3	13%	0.13	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.8	178.6	-59.9	178.9	-167.6	161.2	0	109.4	G198 E199 C201 C214 A258 L259	G198-K216 CarbonylContact C-O 3.12Å; G198-K216 VanDerWaalsContact CA-O 3.28Å; G198-K216 WeakPolarHBondContact CA-O 3.19Å; E199-K216 HydrophobicContact CG-CB 4.33Å; E199-K216 HydrophobicContact CG-CD 4.12Å; E199-K216 PolarHBondContact N-O 2.83Å; E199-K216 PolarHBondContact O-N 3.15Å; E199-K216 IonicContact OE1-NZ 2.71Å; E199-K216 PolarHBondContact OE1-NZ 2.89Å; C201-K216 WeakPolarHBondContact SG-CE 3.17Å; C214-K216 PolarHBondContact O-N 3.1Å; K216-A258 HydrophobicContact CB-CB 4.33Å; K216-L259 CarbonylContact C-O 3.59Å; K216-L259 WeakPolarHBondContact CA-O 3.22Å
217	L	95.3	Very high	95.5	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	110.7	176.8	-46.5	172.5	0	0	0	108.4	F197 K215 K219 I222 A231 A258 L259 L261	F197-L217 HydrophobicContact CB-CB 4.14Å; F197-L217 HydrophobicContact CB-CD2 3.9Å; F197-L217 HydrophobicContact CD2-CD2 4.49Å; K215-L217 HydrophobicContact CD-CD2 4.27Å; K215-L217 HydrophobicContact CG-CD2 4.01Å; L217-K219 PolarHBondContact O-N 3.22Å; L217-I222 HydrophobicContact CB-CD1 3.7Å; L217-I222 HydrophobicContact CB-CG1 4.35Å; L217-A231 HydrophobicContact CD1-CB 3.97Å; L217-A258 CarbonylContact O-C 3.6Å; L217-A258 WeakPolarHBondContact O-CA 3.45Å; L217-A258 WeakPolarHBondContact O-CB 3.44Å; L217-L259 HydrophobicContact CB-CB 4.35Å; L217-L259 PolarHBondContact N-O 3.14Å; L217-L259 PolarHBondContact O-N 3.35Å; L217-L261 HydrophobicContact CD1-CD1 4.36Å
218	E	95.3	Very high	95.3	Very high	63 Å²	63	43.1 Å²	43.1	29%	0.294	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	120.1	-177.7	-69.7	170.6	-158.1	0	0	110.9	F197 K220 R221 I222	F197-E218 PolarHBondContact O-N 3.3Å; E218-K220 VanDerWaalsContact C-N 3.35Å; E218-K220 PolarHBondContact O-N 3.01Å; E218-R221 HydrophobicContact CB-CB 3.78Å; E218-R221 WeakPolarHBondContact O-CA 3.27Å; E218-R221 WeakPolarHBondContact O-CB 3.34Å; E218-R221 PolarHBondContact O-N 3.27Å; E218-R221 IonicContact OE1-NE 2.62Å; E218-R221 IonicContact OE1-NH2 3.11Å; E218-R221 IonicContact OE2-CZ 2.76Å; E218-R221 IonicContact OE2-NE 2.79Å; E218-R221 PolarHBondContact OE2-NE 3.22Å; E218-R221 IonicContact OE2-NH2 2.84Å; E218-R221 PolarHBondContact OE2-NH2 3.13Å; E218-I222 WeakPolarHBondContact O-CG1 3.49Å; E218-I222 PolarHBondContact O-N 2.8Å
219	K	95.3	Very high	95	Very high	15 Å²	15	47.3 Å²	47.3	7%	0.065	22%	0.221	C	C	.	.	H	α-helix	trans	-55.2	-47.2	-176.3	-73.8	176.6	168	179.4	0	112.4	L217 R221 I222 K223 E254 T255 D257 L259 L491 Y499	L217-K219 PolarHBondContact O-N 3.22Å; K219-R221 VanDerWaalsContact C-N 3.28Å; K219-R221 PolarHBondContact O-N 3.12Å; K219-I222 WeakPolarHBondContact O-CB 3.44Å; K219-I222 PolarHBondContact O-N 2.57Å; K219-K223 PolarHBondContact O-N 3.02Å; K219-E254 WeakPolarHBondContact CE-OE2 3.38Å; K219-E254 IonicContact NZ-OE2 3.98Å; K219-E254 PolarHBondContact NZ-OE2 2.97Å; K219-T255 PolarHBondContact NZ-O 2.97Å; K219-D257 PolarHBondContact N-O 3.22Å; K219-L259 HydrophobicContact CG-CG 4.46Å; K219-L491 HydrophobicContact CB-CD1 3.92Å; K219-L491 HydrophobicContact CB-CD2 4.24Å; K219-L491 HydrophobicContact CD-CD1 4.05Å; K219-Y499 HydrophobicContact CB-CE1 4.45Å; K219-Y499 HydrophobicContact CB-CE2 3.91Å; K219-Y499 HydrophobicContact CD-CD2 3.69Å; K219-Y499 HydrophobicContact CD-CE2 3.58Å; K219-Y499 HydrophobicContact CD-CG 4.3Å; K219-Y499 VanDerWaalsContact CE-CD2 3.47Å; K219-Y499 HydrophobicContact CG-CD1 4.41Å; K219-Y499 HydrophobicContact CG-CD2 4.1Å; K219-Y499 HydrophobicContact CG-CE1 4.07Å; K219-Y499 HydrophobicContact CG-CE2 3.69Å; K219-Y499 HydrophobicContact CG-CG 4.45Å; K219-Y499 PolarHBondContact O-OH 3.09Å
220	K	94.7	Very high	94.7	Very high	90 Å²	90	50.3 Å²	50.3	39%	0.391	23%	0.233	S	C	.	.	H	α-helix	trans	-62	-33.5	177.1	-68.6	-174.8	175.7	-176.8	0	113	E218 K224 V486 V489	E218-K220 VanDerWaalsContact C-N 3.35Å; E218-K220 PolarHBondContact O-N 3.01Å; K220-K224 VanDerWaalsContact O-CB 3.31Å; K220-K224 WeakPolarHBondContact O-CB 3.13Å; K220-K224 PolarHBondContact O-N 3.41Å; K220-V486 HydrophobicContact CB-CB 4.06Å; K220-V486 HydrophobicContact CB-CG1 4.07Å; K220-V489 HydrophobicContact CB-CB 4.49Å; K220-V489 HydrophobicContact CB-CG1 4.35Å; K220-V489 WeakPolarHBondContact CE-O 3.39Å; K220-V489 HydrophobicContact CG-CG1 4.48Å
221	R	94.4	Very high	94.5	Very high	12 Å²	12	47.4 Å²	47.4	5%	0.045	22%	0.221	C	C	.	.	H	α-helix	trans	-76.1	-38.8	178.9	-168.9	176.9	-61.1	-78	-19.6	111.6	F197 E218 K219 R225 F483 S484 V486	F197-R221 HydrophobicContact CD1-CG 4.47Å; E218-R221 HydrophobicContact CB-CB 3.78Å; E218-R221 WeakPolarHBondContact O-CA 3.27Å; E218-R221 WeakPolarHBondContact O-CB 3.34Å; E218-R221 PolarHBondContact O-N 3.27Å; E218-R221 IonicContact OE1-NE 2.62Å; E218-R221 IonicContact OE1-NH2 3.11Å; E218-R221 IonicContact OE2-CZ 2.76Å; E218-R221 IonicContact OE2-NE 2.79Å; E218-R221 PolarHBondContact OE2-NE 3.22Å; E218-R221 IonicContact OE2-NH2 2.84Å; E218-R221 PolarHBondContact OE2-NH2 3.13Å; K219-R221 VanDerWaalsContact C-N 3.28Å; K219-R221 PolarHBondContact O-N 3.12Å; R221-R225 WeakPolarHBondContact O-CB 3.26Å; R221-R225 PolarHBondContact O-N 3.39Å; R221-R225 VanDerWaalsContact O-N 3.12Å; R221-F483 VanDerWaalsContact CZ-CD1 3.48Å; R221-F483 VanDerWaalsContact CZ-CG 3.45Å; R221-F483 VanDerWaalsContact NH2-CB 3.25Å; R221-S484 PolarHBondContact NH2-O 3.29Å; R221-V486 HydrophobicContact CB-CG2 4.22Å
222	I	94.4	Very high	94.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-55.3	-55.5	170.9	-68	162.9	0	0	0	109	F197 L217 E218 K219 K224 R225 K226 G227 E228 L259	F197-I222 HydrophobicContact CB-CG1 4.37Å; F197-I222 HydrophobicContact CD1-CG1 4.07Å; F197-I222 HydrophobicContact CG-CG1 4.29Å; L217-I222 HydrophobicContact CB-CD1 3.7Å; L217-I222 HydrophobicContact CB-CG1 4.35Å; E218-I222 WeakPolarHBondContact O-CG1 3.49Å; E218-I222 PolarHBondContact O-N 2.8Å; K219-I222 WeakPolarHBondContact O-CB 3.44Å; K219-I222 PolarHBondContact O-N 2.57Å; I222-K224 PolarHBondContact O-N 3.32Å; I222-R225 CarbonylContact O-C 3.07Å; I222-R225 PolarHBondContact O-N 3.32Å; I222-R225 VanDerWaalsContact O-N 3.11Å; I222-K226 PolarHBondContact O-N 2.7Å; I222-G227 PolarHBondContact O-N 2.95Å; I222-E228 HydrophobicContact CG2-CB 4.48Å; I222-E228 HydrophobicContact CG2-CG 3.92Å; I222-L259 HydrophobicContact CD1-CD1 3.78Å; I222-L259 HydrophobicContact CD1-CG 4.3Å
223	K	94.5	Very high	94.1	Very high	47 Å²	47	49.2 Å²	49.2	20%	0.204	23%	0.232	C	C	.	.	H	α-helix	trans	-58.2	-47.9	-179.5	-173.8	170.1	-170.1	169.6	0	112.4	K219 R225 K226 E228 V489 E490 L491 D492 D495	K219-K223 PolarHBondContact O-N 3.02Å; K223-R225 PolarHBondContact O-N 3.1Å; K223-K226 PolarHBondContact O-N 3.28Å; K223-E228 WeakPolarHBondContact CA-OE1 3.49Å; K223-V489 HydrophobicContact CB-CG1 4.16Å; K223-V489 HydrophobicContact CD-CG1 3.89Å; K223-V489 HydrophobicContact CG-CG1 4.11Å; K223-E490 WeakPolarHBondContact CE-O 3.32Å; K223-E490 PolarHBondContact NZ-O 2.59Å; K223-L491 HydrophobicContact CD-CD2 4.12Å; K223-D492 IonicContact NZ-OD2 3.78Å; K223-D492 PolarHBondContact NZ-OD2 2.95Å; K223-D495 WeakPolarHBondContact CD-OD2 3.3Å; K223-D495 WeakPolarHBondContact CE-OD2 3.39Å; K223-D495 IonicContact NZ-OD1 3.34Å; K223-D495 IonicContact NZ-OD2 2.84Å; K223-D495 PolarHBondContact NZ-OD2 2.95Å
224	K	93.9	Very high	93.9	Very high	139 Å²	139	49.1 Å²	49.1	60%	0.604	23%	0.23	S	C	*	.	H	α-helix	trans	-57.3	-33.7	178.3	-178.3	167.8	176.8	174.5	0	113.1	K220 I222 V486 V489	K220-K224 VanDerWaalsContact O-CB 3.31Å; K220-K224 WeakPolarHBondContact O-CB 3.13Å; K220-K224 PolarHBondContact O-N 3.41Å; I222-K224 PolarHBondContact O-N 3.32Å; K224-V486 HydrophobicContact CB-CG1 4.3Å; K224-V486 HydrophobicContact CD-CG1 3.74Å; K224-V489 HydrophobicContact CB-CG2 4.27Å
225	R	93.4	Very high	93.8	Very high	135 Å²	135	49.3 Å²	49.3	51%	0.509	23%	0.231	S	C	.	.	H	α-helix	trans	-100.5	1.1	-176.8	-68.6	-174.5	175.6	-173.4	0.3	113.6	G196 F197 R221 I222 K223 G227	G196-R225 PolarHBondContact O-NH1 2.67Å; F197-R225 HydrophobicContact CE1-CB 3.99Å; R221-R225 WeakPolarHBondContact O-CB 3.26Å; R221-R225 PolarHBondContact O-N 3.39Å; R221-R225 VanDerWaalsContact O-N 3.12Å; I222-R225 CarbonylContact O-C 3.07Å; I222-R225 PolarHBondContact O-N 3.32Å; I222-R225 VanDerWaalsContact O-N 3.11Å; K223-R225 PolarHBondContact O-N 3.1Å; R225-G227 VanDerWaalsContact C-N 3.26Å; R225-G227 PolarHBondContact O-N 3.21Å
226	K	93.4	Very high	93.7	Very high	175 Å²	175	53.3 Å²	53.3	76%	0.761	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	44.2	-173.4	-53.1	-176.9	179.4	-177	0	112.2	I222 K223 E228	I222-K226 PolarHBondContact O-N 2.7Å; K223-K226 PolarHBondContact O-N 3.28Å; K226-E228 WeakPolarHBondContact CA-OE2 3.34Å
227	G	92.7	Very high	93.7	Very high	4 Å²	4	52.4 Å²	52.4	4%	0.041	25%	0.246	C	C	.	.			trans	-92.1	11.1	-173.4	0	0	0	0	0	115.1	I222 R225 M230 A231	I222-G227 PolarHBondContact O-N 2.95Å; R225-G227 VanDerWaalsContact C-N 3.26Å; R225-G227 PolarHBondContact O-N 3.21Å; G227-M230 PolarHBondContact O-N 3.2Å; G227-A231 PolarHBondContact O-N 2.96Å
228	E	92.3	Very high	93.7	Very high	49 Å²	49	52.4 Å²	52.4	23%	0.229	25%	0.246	C	C	.	.	H	α-helix	trans	-61.1	-50.9	-172.5	-61.7	82.2	-179.4	0	0	111.2	I222 K223 K226 M230 A231 L232 F498	I222-E228 HydrophobicContact CG2-CB 4.48Å; I222-E228 HydrophobicContact CG2-CG 3.92Å; K223-E228 WeakPolarHBondContact CA-OE1 3.49Å; K226-E228 WeakPolarHBondContact CA-OE2 3.34Å; E228-M230 VanDerWaalsContact C-N 3.28Å; E228-M230 PolarHBondContact O-N 2.54Å; E228-A231 PolarHBondContact O-N 3.29Å; E228-L232 PolarHBondContact O-N 3.49Å; E228-F498 HydrophobicContact CB-CD1 4.2Å; E228-F498 HydrophobicContact CB-CD2 4.04Å; E228-F498 HydrophobicContact CB-CE1 3.89Å; E228-F498 HydrophobicContact CB-CE2 3.66Å; E228-F498 HydrophobicContact CB-CG 4.31Å; E228-F498 HydrophobicContact CB-CZ 3.63Å; E228-F498 HydrophobicContact CG-CD1 4.11Å; E228-F498 HydrophobicContact CG-CE1 4.09Å; E228-F498 HydrophobicContact CG-CG 4.43Å; E228-F498 HydrophobicContact CG-CZ 4.34Å; E228-F498 VanDerWaalsContact O-CE2 3.28Å; E228-F498 WeakPolarHBondContact O-CE2 3.34Å; E228-F498 WeakPolarHBondContact O-CZ 3.13Å
229	S	90.4	Very high	93.7	Very high	90 Å²	90	52.9 Å²	52.9	63%	0.629	25%	0.249	S	C	*	.	H	α-helix	trans	-60.3	-39	179.3	57.2	0	0	0	0	112.2	N233	S229-N233 WeakPolarHBondContact O-CB 3.06Å; S229-N233 PolarHBondContact O-N 2.99Å
230	M	90.6	Very high	93.5	Very high	72 Å²	72	57.2 Å²	57.2	36%	0.355	27%	0.267	S	S	.	.	H	α-helix	trans	-64.9	-46.5	178.3	-170.9	-179.1	-70.4	0	0	111.6	F197 G227 E228 N233 E234 G331 L332	F197-M230 HydrophobicContact CE2-CG 4.49Å; F197-M230 HydrophobicContact CE2-SD 3.68Å; F197-M230 HydrophobicContact CZ-SD 4.01Å; G227-M230 PolarHBondContact O-N 3.2Å; E228-M230 VanDerWaalsContact C-N 3.28Å; E228-M230 PolarHBondContact O-N 2.54Å; M230-N233 PolarHBondContact O-N 2.93Å; M230-E234 WeakPolarHBondContact O-CB 3.43Å; M230-E234 PolarHBondContact O-N 3.42Å; M230-G331 VanDerWaalsContact CG-O 3.27Å; M230-G331 WeakPolarHBondContact CG-O 3.4Å; M230-L332 HydrophobicContact CE-CD2 4.03Å
231	A	92.4	Very high	93.4	Very high	2 Å²	2	53.6 Å²	53.6	2%	0.017	25%	0.252	C	S	.	.	H	α-helix	trans	-65.3	-42.1	179.5	0	0	0	0	0	112.3	L217 G227 E228 K235	L217-A231 HydrophobicContact CD1-CB 3.97Å; G227-A231 PolarHBondContact O-N 2.96Å; E228-A231 PolarHBondContact O-N 3.29Å; A231-K235 PolarHBondContact O-N 3.46Å; A231-K235 VanDerWaalsContact O-N 3.16Å
232	L	92.3	Very high	93.3	Very high	33 Å²	33	58 Å²	58	17%	0.173	28%	0.277	C	S	.	.	H	α-helix	trans	-68	-42.3	177.2	179.2	63.2	0	0	0	111.7	E228 K235 Q236 F498 K501 V502	E228-L232 PolarHBondContact O-N 3.49Å; L232-K235 PolarHBondContact O-N 3.14Å; L232-Q236 HydrophobicContact CD1-CG 4.19Å; L232-Q236 HydrophobicContact CG-CG 4.39Å; L232-Q236 WeakPolarHBondContact O-CB 3.28Å; L232-Q236 WeakPolarHBondContact O-CG 3.43Å; L232-Q236 PolarHBondContact O-N 3.4Å; L232-F498 HydrophobicContact CB-CE2 3.7Å; L232-F498 HydrophobicContact CB-CZ 4Å; L232-F498 HydrophobicContact CD2-CE2 4.1Å; L232-F498 HydrophobicContact CG-CE2 4.44Å; L232-K501 HydrophobicContact CD1-CB 4.45Å; L232-V502 HydrophobicContact CB-CG2 4.46Å; L232-V502 HydrophobicContact CD1-CG2 4.02Å
233	N	92.8	Very high	93.3	Very high	44 Å²	44	58.3 Å²	58.3	24%	0.235	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-45.2	177.4	177.6	80.9	0	0	0	111.6	S229 M230 K235 Q236 I237 A333	S229-N233 WeakPolarHBondContact O-CB 3.06Å; S229-N233 PolarHBondContact O-N 2.99Å; M230-N233 PolarHBondContact O-N 2.93Å; N233-K235 VanDerWaalsContact C-N 3.32Å; N233-K235 PolarHBondContact O-N 2.81Å; N233-Q236 PolarHBondContact O-N 2.84Å; N233-I237 WeakPolarHBondContact ND2-CD1 3.45Å; N233-I237 WeakPolarHBondContact O-CB 3.44Å; N233-I237 WeakPolarHBondContact O-CG1 3.46Å; N233-I237 PolarHBondContact O-N 2.85Å; N233-A333 PolarHBondContact ND2-O 2.98Å
234	E	94.2	Very high	93.4	Very high	8 Å²	8	60.9 Å²	60.9	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-56.1	-48.4	174.7	-173.6	175.8	-172.1	0	0	110.9	K215 M230 Q236 I237 L238 L330	K215-E234 IonicContact NZ-OE1 2.63Å; K215-E234 PolarHBondContact NZ-OE1 3.42Å; K215-E234 IonicContact NZ-OE2 2.67Å; K215-E234 PolarHBondContact NZ-OE2 3.4Å; M230-E234 WeakPolarHBondContact O-CB 3.43Å; M230-E234 PolarHBondContact O-N 3.42Å; E234-Q236 PolarHBondContact O-N 3.25Å; E234-I237 PolarHBondContact O-N 3.21Å; E234-L238 HydrophobicContact CG-CD1 3.83Å; E234-L238 WeakPolarHBondContact O-CB 3.34Å; E234-L238 WeakPolarHBondContact O-CG 3.26Å; E234-L238 PolarHBondContact O-N 3.28Å; E234-L330 HydrophobicContact CG-CB 4.34Å; E234-L330 PolarHBondContact OE1-N 2.75Å
235	K	94.8	Very high	93.6	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-60.5	-46.7	178.6	-177	-91.8	169.3	-177.3	0	112.2	A231 L232 N233 L238 E239 L249 A252 L261 V502 T504	A231-K235 PolarHBondContact O-N 3.46Å; A231-K235 VanDerWaalsContact O-N 3.16Å; L232-K235 PolarHBondContact O-N 3.14Å; N233-K235 VanDerWaalsContact C-N 3.32Å; N233-K235 PolarHBondContact O-N 2.81Å; K235-L238 PolarHBondContact O-N 2.63Å; K235-E239 IonicContact NZ-OE1 2.86Å; K235-E239 PolarHBondContact NZ-OE1 3.24Å; K235-E239 IonicContact NZ-OE2 3.24Å; K235-E239 PolarHBondContact NZ-OE2 3.47Å; K235-E239 WeakPolarHBondContact O-CB 3.47Å; K235-E239 PolarHBondContact O-N 2.98Å; K235-L249 HydrophobicContact CG-CD2 4.03Å; K235-A252 HydrophobicContact CG-CB 4.27Å; K235-L261 HydrophobicContact CB-CD2 4.08Å; K235-L261 HydrophobicContact CG-CD2 3.9Å; K235-V502 HydrophobicContact CB-CG1 4.34Å; K235-V502 HydrophobicContact CG-CG1 4.17Å; K235-T504 WeakPolarHBondContact CE-OG1 3.34Å; K235-T504 PolarHBondContact NZ-OG1 3.2Å
236	Q	94.9	Very high	93.8	Very high	103 Å²	103	48.1 Å²	48.1	48%	0.481	24%	0.236	S	C	.	.	H	α-helix	trans	-65.7	-39.7	-177.5	-75.9	176.4	-28.7	0	0	112.2	L232 N233 E234 K240	L232-Q236 HydrophobicContact CD1-CG 4.19Å; L232-Q236 HydrophobicContact CG-CG 4.39Å; L232-Q236 WeakPolarHBondContact O-CB 3.28Å; L232-Q236 WeakPolarHBondContact O-CG 3.43Å; L232-Q236 PolarHBondContact O-N 3.4Å; N233-Q236 PolarHBondContact O-N 2.84Å; E234-Q236 PolarHBondContact O-N 3.25Å; Q236-K240 PolarHBondContact O-N 3.45Å
237	I	95.8	Very high	94	Very high	11 Å²	11	40 Å²	40	6%	0.056	20%	0.201	C	C	.	.	H	α-helix	trans	-65.1	-49.7	175.6	-70.9	174.1	0	0	0	110.1	N233 E234 E239 K240 V241 I307 L330 A333	N233-I237 WeakPolarHBondContact ND2-CD1 3.45Å; N233-I237 WeakPolarHBondContact O-CB 3.44Å; N233-I237 WeakPolarHBondContact O-CG1 3.46Å; N233-I237 PolarHBondContact O-N 2.85Å; E234-I237 PolarHBondContact O-N 3.21Å; I237-E239 VanDerWaalsContact C-N 3.26Å; I237-E239 PolarHBondContact O-N 3.02Å; I237-K240 PolarHBondContact O-N 2.69Å; I237-K240 VanDerWaalsContact O-N 3.11Å; I237-V241 HydrophobicContact CG2-CG2 4.05Å; I237-V241 VanDerWaalsContact O-CG2 3.31Å; I237-V241 WeakPolarHBondContact O-CG2 3.33Å; I237-V241 PolarHBondContact O-N 2.86Å; I237-I307 HydrophobicContact CD1-CG2 4.31Å; I237-I307 HydrophobicContact CG1-CD1 4.47Å; I237-I307 HydrophobicContact CG2-CD1 3.95Å; I237-I307 HydrophobicContact CG2-CG2 4.28Å; I237-L330 HydrophobicContact CG2-CB 4.36Å; I237-L330 HydrophobicContact CG2-CD2 3.42Å; I237-L330 VanDerWaalsContact CG2-CD2 3.42Å; I237-A333 HydrophobicContact CD1-CB 3.69Å; I237-A333 WeakPolarHBondContact CD1-O 3.28Å
238	L	95.9	Very high	94.2	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-30.8	179.8	-78.6	169.6	0	0	0	113.8	E234 K235 V247 L249 L261 L263 L330	E234-L238 HydrophobicContact CG-CD1 3.83Å; E234-L238 WeakPolarHBondContact O-CB 3.34Å; E234-L238 WeakPolarHBondContact O-CG 3.26Å; E234-L238 PolarHBondContact O-N 3.28Å; K235-L238 PolarHBondContact O-N 2.63Å; L238-V247 HydrophobicContact CD2-CG2 4.03Å; L238-V247 WeakPolarHBondContact CD2-O 3.29Å; L238-L249 HydrophobicContact CB-CB 3.8Å; L238-L249 HydrophobicContact CB-CD2 4.22Å; L238-L261 HydrophobicContact CD1-CD1 4.46Å; L238-L263 HydrophobicContact CD1-CD2 3.79Å; L238-L330 HydrophobicContact CD2-CD1 3.92Å; L238-L330 HydrophobicContact CD2-CD2 4.37Å
239	E	94.1	Very high	94.5	Very high	74 Å²	74	38.3 Å²	38.3	35%	0.346	19%	0.194	S	C	.	.	H	α-helix	trans	-73.3	-29.9	176.1	-172.3	174.1	-122.9	0	0	112.3	K235 I237 L249 T504 V507	K235-E239 IonicContact NZ-OE1 2.86Å; K235-E239 PolarHBondContact NZ-OE1 3.24Å; K235-E239 IonicContact NZ-OE2 3.24Å; K235-E239 PolarHBondContact NZ-OE2 3.47Å; K235-E239 WeakPolarHBondContact O-CB 3.47Å; K235-E239 PolarHBondContact O-N 2.98Å; I237-E239 VanDerWaalsContact C-N 3.26Å; I237-E239 PolarHBondContact O-N 3.02Å; E239-L249 HydrophobicContact CB-CD2 4.27Å; E239-T504 PolarHBondContact OE1-OG1 2.97Å; E239-T504 VanDerWaalsContact OE1-OG1 3.06Å; E239-V507 HydrophobicContact CG-CG1 4.13Å; E239-V507 HydrophobicContact CG-CG2 4.24Å
240	K	91.4	Very high	94.9	Very high	106 Å²	106	34 Å²	34	46%	0.461	16%	0.164	S	C	.	.	H	α-helix	trans	-84.6	-38.6	-179.7	-167.5	-176.9	-174.1	-145.1	0	112.8	Q236 I237 N242 E305	Q236-K240 PolarHBondContact O-N 3.45Å; I237-K240 PolarHBondContact O-N 2.69Å; I237-K240 VanDerWaalsContact O-N 3.11Å; K240-N242 PolarHBondContact O-N 3.34Å; K240-E305 WeakPolarHBondContact CE-OE2 3.5Å; K240-E305 IonicContact NZ-OE2 2.73Å; K240-E305 PolarHBondContact NZ-OE2 2.65Å
241	V	93	Very high	95.3	Very high	13 Å²	13	30.8 Å²	30.8	8%	0.079	15%	0.148	C	C	.	.			trans	-75.1	122.8	-174.1	174.3	0	0	0	0	110.6	I237 V246 L302 I307	I237-V241 HydrophobicContact CG2-CG2 4.05Å; I237-V241 VanDerWaalsContact O-CG2 3.31Å; I237-V241 WeakPolarHBondContact O-CG2 3.33Å; I237-V241 PolarHBondContact O-N 2.86Å; V241-V246 HydrophobicContact CG1-CB 4.04Å; V241-V246 HydrophobicContact CG1-CG1 4.13Å; V241-V246 HydrophobicContact CG1-CG2 4.16Å; V241-L302 HydrophobicContact CG1-CD2 4.06Å; V241-L302 HydrophobicContact CG2-CD2 3.73Å; V241-I307 HydrophobicContact CG2-CD1 3.8Å
242	N	91.8	Very high	95.5	Very high	104 Å²	104	30.7 Å²	30.7	56%	0.556	15%	0.147	S	C	*	.			trans	-121.2	89.1	171.6	-177.6	42.3	0	0	0	109.5	K240	K240-N242 PolarHBondContact O-N 3.34Å
243	S	95.4	Very high	95.8	Very high	8 Å²	8	29.3 Å²	29.3	6%	0.056	14%	0.14	C	C	.	.			trans	-131.6	145.9	-179	172.5	0	0	0	0	110.6	F245 D301 R326	S243-F245 PolarHBondContact O-N 2.85Å; S243-F245 PolarHBondContact OG-N 2.81Å; S243-D301 WeakPolarHBondContact CB-OD2 3.48Å; S243-D301 PolarHBondContact OG-OD2 3.11Å; S243-R326 PolarHBondContact O-NH1 2.99Å
244	R	96	Very high	95.9	Very high	101 Å²	101	31 Å²	31	38%	0.381	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-26.9	169	-178.7	174.6	-67.3	114.3	-4.2	111.5	R326 E457 A458 G459	R244-R326 WeakPolarHBondContact O-CD 3.49Å; R244-R326 WeakPolarHBondContact O-CG 3.46Å; R244-R326 PolarHBondContact O-NE 3.41Å; R244-R326 PolarHBondContact O-NH1 3.3Å; R244-R326 VanDerWaalsContact O-NH1 3.14Å; R244-R326 PolarHBondContact O-NH2 3.41Å; R244-E457 PolarHBondContact NH1-O 3.26Å; R244-A458 PolarHBondContact NH2-O 2.88Å; R244-G459 VanDerWaalsContact NH1-N 3.16Å
245	F	98.4	Very high	95.9	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.018	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	7.4	-171.5	-52.9	-71.3	0	0	0	113	S243 E294 C297 G298 R326 I327 L456 E457	S243-F245 PolarHBondContact O-N 2.85Å; S243-F245 PolarHBondContact OG-N 2.81Å; F245-E294 HydrophobicContact CD1-CB 3.81Å; F245-E294 HydrophobicContact CD1-CG 4.19Å; F245-E294 HydrophobicContact CE1-CB 3.92Å; F245-E294 HydrophobicContact CE1-CG 3.82Å; F245-C297 HydrophobicContact CD2-CB 3.37Å; F245-C297 HydrophobicContact CE2-CB 3.32Å; F245-C297 HydrophobicContact CG-CB 4.02Å; F245-C297 HydrophobicContact CZ-CB 3.93Å; F245-G298 VanDerWaalsContact CB-CA 3.48Å; F245-R326 CarbonylContact O-C 3.58Å; F245-R326 WeakPolarHBondContact O-CA 3.37Å; F245-I327 PolarHBondContact O-N 3.49Å; F245-L456 HydrophobicContact CZ-CG 4.37Å; F245-E457 HydrophobicContact CE2-CG 4.28Å
246	V	98.4	Very high	95.8	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-125.7	143	172.7	-173.3	0	0	0	0	108.3	V241 S248 L302 R326 I327 L330	V241-V246 HydrophobicContact CG1-CB 4.04Å; V241-V246 HydrophobicContact CG1-CG1 4.13Å; V241-V246 HydrophobicContact CG1-CG2 4.16Å; V246-S248 PolarHBondContact O-N 3.16Å; V246-L302 HydrophobicContact CG2-CD1 4.39Å; V246-L302 HydrophobicContact CG2-CD2 4.25Å; V246-L302 HydrophobicContact CG2-CG 4.16Å; V246-R326 PolarHBondContact O-NH1 3.16Å; V246-I327 WeakPolarHBondContact CA-O 3.3Å; V246-I327 HydrophobicContact CG2-CB 4.37Å; V246-L330 HydrophobicContact CG1-CD1 4.04Å; V246-L330 HydrophobicContact CG1-CD2 4.1Å
247	V	97.3	Very high	95.7	Very high	4 Å²	4	41 Å²	41	2%	0.024	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-61.8	136	173.7	-62.4	0	0	0	0	110.2	L238 M266 R326 I327	L238-V247 HydrophobicContact CD2-CG2 4.03Å; L238-V247 WeakPolarHBondContact CD2-O 3.29Å; V247-M266 HydrophobicContact CG1-CG 4.03Å; V247-R326 HydrophobicContact CG1-CB 4.01Å; V247-I327 PolarHBondContact N-O 3.47Å
248	S	96.7	Very high	95.7	Very high	17 Å²	17	40.9 Å²	40.9	12%	0.119	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-96	139.5	-179	-49.5	0	0	0	0	110.5	V246 L263 T264	V246-S248 PolarHBondContact O-N 3.16Å; S248-L263 CarbonylContact O-C 3.47Å; S248-L263 VanDerWaalsContact O-CA 3.28Å; S248-L263 WeakPolarHBondContact O-CA 3.49Å; S248-T264 PolarHBondContact N-OG1 3.46Å; S248-T264 PolarHBondContact O-N 2.94Å; S248-T264 PolarHBondContact O-OG1 2.69Å
249	L	98.3	Very high	95.7	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	119	169.1	175.4	72.5	0	0	0	109.7	K235 L238 E239 Y251 A252 L261 L263 V507 P510	K235-L249 HydrophobicContact CG-CD2 4.03Å; L238-L249 HydrophobicContact CB-CB 3.8Å; L238-L249 HydrophobicContact CB-CD2 4.22Å; E239-L249 HydrophobicContact CB-CD2 4.27Å; L249-Y251 WeakPolarHBondContact CD1-O 3.45Å; L249-A252 HydrophobicContact CD2-CB 4.43Å; L249-L261 HydrophobicContact CD1-CB 3.86Å; L249-L261 HydrophobicContact CD1-CD2 4.07Å; L249-L263 HydrophobicContact CB-CD2 4.06Å; L249-L263 HydrophobicContact CD1-CD2 3.74Å; L249-V507 HydrophobicContact CB-CG2 4.42Å; L249-V507 HydrophobicContact CD2-CG2 3.93Å; L249-V507 HydrophobicContact CG-CG2 3.83Å; L249-V507 WeakPolarHBondContact O-CB 3.17Å; L249-V507 WeakPolarHBondContact O-CG2 3.15Å; L249-P510 WeakPolarHBondContact O-CG 3.09Å
250	A	98.3	Very high	95.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-34.4	176.4	0	0	0	0	0	112.7	Y212 V262 V507 P510	Y212-A250 HydrophobicContact CD1-CB 4.19Å; Y212-A250 HydrophobicContact CE1-CB 3.53Å; A250-V262 PolarHBondContact N-O 3.41Å; A250-V507 PolarHBondContact O-N 2.82Å; A250-P510 HydrophobicContact CB-CB 4.04Å
251	Y	98.5	Very high	96.2	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.016	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	144.1	179	-50.7	-93.3	0	0	0	112.2	V181 F186 V205 Y212 L249 V262 G505 S506 W511 E514	V181-Y251 HydrophobicContact CG1-CD1 4.11Å; V181-Y251 HydrophobicContact CG2-CD1 3.79Å; V181-Y251 HydrophobicContact CG2-CE1 4.3Å; F186-Y251 AromaticContact CE1-CD2 3.83Å; F186-Y251 HydrophobicContact CE1-CD2 3.83Å; F186-Y251 HydrophobicContact CE1-CE2 4.02Å; F186-Y251 HydrophobicContact CE1-CG 4.3Å; F186-Y251 HydrophobicContact CZ-CD1 4.25Å; F186-Y251 AromaticContact CZ-CD2 3.77Å; F186-Y251 HydrophobicContact CZ-CD2 3.77Å; F186-Y251 HydrophobicContact CZ-CE2 4.25Å; F186-Y251 AromaticContact CZ-CG 3.76Å; F186-Y251 HydrophobicContact CZ-CG 3.76Å; V205-Y251 HydrophobicContact CG2-CE2 3.81Å; Y212-Y251 HydrophobicContact CE2-CE2 4.25Å; L249-Y251 WeakPolarHBondContact CD1-O 3.45Å; Y251-V262 HydrophobicContact CD2-CB 3.91Å; Y251-V262 HydrophobicContact CD2-CG1 3.8Å; Y251-V262 HydrophobicContact CD2-CG2 4.41Å; Y251-V262 HydrophobicContact CG-CB 4.35Å; Y251-V262 PolarHBondContact N-O 3.43Å; Y251-V262 PolarHBondContact O-N 3.09Å; Y251-G505 CarbonylContact C-O 3.54Å; Y251-G505 VanDerWaalsContact CA-O 3.24Å; Y251-G505 WeakPolarHBondContact CA-O 3.34Å; Y251-S506 WeakPolarHBondContact CE1-OG 3.32Å; Y251-W511 AromaticContact CE1-CD1 3.54Å; Y251-W511 AromaticContact CZ-CD1 3.71Å; Y251-E514 WeakPolarHBondContact CE2-OE2 3.33Å; Y251-E514 PolarHBondContact OH-OE1 3.36Å; Y251-E514 PolarHBondContact OH-OE2 3.41Å
252	A	98.1	Very high	96.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	119.8	167.9	0	0	0	0	0	109.9	K235 L249 C260 L261 V502 S503 T504 G505	K235-A252 HydrophobicContact CG-CB 4.27Å; L249-A252 HydrophobicContact CD2-CB 4.43Å; A252-C260 WeakPolarHBondContact CA-O 3.34Å; A252-L261 HydrophobicContact CB-CD2 4.01Å; A252-V502 WeakPolarHBondContact CB-O 3.35Å; A252-S503 CarbonylContact O-C 3.57Å; A252-S503 WeakPolarHBondContact O-CA 3.37Å; A252-T504 PolarHBondContact O-N 2.74Å; A252-G505 PolarHBondContact N-O 2.84Å; A252-G505 WeakPolarHBondContact O-CA 3.25Å; A252-G505 PolarHBondContact O-N 3.32Å
253	Y	97.4	Very high	96.8	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.02	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	167.3	-178.7	72.7	-83.3	0	0	0	110.9	V181 K183 F186 T255 C260 V262	V181-Y253 HydrophobicContact CG1-CD1 3.94Å; V181-Y253 HydrophobicContact CG1-CG 4.05Å; K183-Y253 HydrophobicContact CB-CE2 4.49Å; F186-Y253 AromaticContact CD2-CE1 3.82Å; F186-Y253 HydrophobicContact CD2-CE1 3.82Å; F186-Y253 AromaticContact CD2-CZ 3.92Å; F186-Y253 AromaticContact CE2-CD1 3.81Å; F186-Y253 HydrophobicContact CE2-CD1 3.81Å; F186-Y253 AromaticContact CE2-CE1 3.34Å; F186-Y253 HydrophobicContact CE2-CE1 3.34Å; F186-Y253 AromaticContact CE2-CZ 3.89Å; F186-Y253 HydrophobicContact CZ-CD1 4.45Å; F186-Y253 HydrophobicContact CZ-CE1 4.12Å; Y253-T255 HydrophobicContact CD2-CG2 4.41Å; Y253-T255 HydrophobicContact CE2-CG2 3.8Å; Y253-C260 HydrophobicContact CD1-CB 3.78Å; Y253-C260 HydrophobicContact CD2-CB 4.21Å; Y253-C260 HydrophobicContact CE1-CB 3.39Å; Y253-C260 HydrophobicContact CE2-CB 3.85Å; Y253-C260 HydrophobicContact CG-CB 4.17Å; Y253-C260 VanDerWaalsContact CZ-CB 3.41Å; Y253-C260 PolarHBondContact N-O 2.86Å; Y253-C260 WeakPolarHBondContact O-CA 3.47Å; Y253-C260 WeakPolarHBondContact O-CB 3.42Å; Y253-C260 PolarHBondContact O-N 3.16Å; Y253-V262 HydrophobicContact CD1-CG2 4.2Å; Y253-V262 HydrophobicContact CE1-CG2 3.69Å
254	E	95	Very high	96.8	Very high	78 Å²	78	28.8 Å²	28.8	36%	0.364	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	158.9	175.3	64.8	176.6	166.2	0	0	113.5	K219 L259 Y499 S503	K219-E254 WeakPolarHBondContact CE-OE2 3.38Å; K219-E254 IonicContact NZ-OE2 3.98Å; K219-E254 PolarHBondContact NZ-OE2 2.97Å; E254-L259 HydrophobicContact CB-CD2 4Å; E254-Y499 WeakPolarHBondContact OE2-CB 3.24Å; E254-S503 WeakPolarHBondContact CB-OG 3.26Å; E254-S503 WeakPolarHBondContact CG-OG 3.36Å; E254-S503 PolarHBondContact N-OG 2.84Å
255	T	94.8	Very high	96.8	Very high	39 Å²	39	24.8 Å²	24.8	24%	0.239	13%	0.126	C	C	.	.			trans	-121.1	-178.5	167.2	64.8	0	0	0	0	108.8	K183 K219 Y253 D257 A258	K183-T255 HydrophobicContact CB-CG2 4.39Å; K219-T255 PolarHBondContact NZ-O 2.97Å; Y253-T255 HydrophobicContact CD2-CG2 4.41Å; Y253-T255 HydrophobicContact CE2-CG2 3.8Å; T255-D257 PolarHBondContact O-N 3.4Å; T255-D257 PolarHBondContact OG1-N 3.4Å; T255-A258 PolarHBondContact N-O 3.03Å; T255-A258 PolarHBondContact OG1-N 2.66Å; T255-A258 PolarHBondContact OG1-O 2.81Å
256	K	92.6	Very high	96.7	Very high	182 Å²	182	25.3 Å²	25.3	79%	0.791	13%	0.129	S	C	*	.	S	Bend	trans	-53.2	-42.1	173.2	-174	177.7	178.2	177.7	0	112
257	D	93.1	Very high	96.3	Very high	105 Å²	105	26.2 Å²	26.2	56%	0.561	13%	0.134	S	C	*	.	S	Bend	trans	-114	-13.3	-167	-56	-65.2	0	0	0	114.4	K219 T255	K219-D257 PolarHBondContact N-O 3.22Å; T255-D257 PolarHBondContact O-N 3.4Å; T255-D257 PolarHBondContact OG1-N 3.4Å
258	A	95.1	Very high	96.2	Very high	9 Å²	9	26 Å²	26	7%	0.074	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	152.2	-173.4	0	0	0	0	0	113.8	K216 L217 T255	K216-A258 HydrophobicContact CB-CB 4.33Å; L217-A258 CarbonylContact O-C 3.6Å; L217-A258 WeakPolarHBondContact O-CA 3.45Å; L217-A258 WeakPolarHBondContact O-CB 3.44Å; T255-A258 PolarHBondContact N-O 3.03Å; T255-A258 PolarHBondContact OG1-N 2.66Å; T255-A258 PolarHBondContact OG1-O 2.81Å
259	L	96.5	Very high	96.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	141.3	158.6	-54.6	175.4	0	0	0	108.7	K216 L217 K219 I222 E254 F498 Y499 V502	K216-L259 CarbonylContact C-O 3.59Å; K216-L259 WeakPolarHBondContact CA-O 3.22Å; L217-L259 HydrophobicContact CB-CB 4.35Å; L217-L259 PolarHBondContact N-O 3.14Å; L217-L259 PolarHBondContact O-N 3.35Å; K219-L259 HydrophobicContact CG-CG 4.46Å; I222-L259 HydrophobicContact CD1-CD1 3.78Å; I222-L259 HydrophobicContact CD1-CG 4.3Å; E254-L259 HydrophobicContact CB-CD2 4Å; L259-F498 HydrophobicContact CD1-CE1 4.22Å; L259-Y499 HydrophobicContact CD1-CD1 3.74Å; L259-Y499 HydrophobicContact CD1-CE1 4.17Å; L259-Y499 HydrophobicContact CD2-CD1 3.71Å; L259-Y499 HydrophobicContact CD2-CG 3.91Å; L259-Y499 HydrophobicContact CG-CD1 4.01Å; L259-V502 HydrophobicContact CD1-CB 4.24Å; L259-V502 HydrophobicContact CD1-CG1 4.12Å; L259-V502 HydrophobicContact CD1-CG2 4.11Å; L259-V502 HydrophobicContact CD2-CB 4.47Å
260	C	97.7	Very high	95.9	Very high	3 Å²	3	28 Å²	28	2%	0.02	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	120.6	-175.4	-64.3	0	0	0	0	110.3	A252 Y253	A252-C260 WeakPolarHBondContact CA-O 3.34Å; Y253-C260 HydrophobicContact CD1-CB 3.78Å; Y253-C260 HydrophobicContact CD2-CB 4.21Å; Y253-C260 HydrophobicContact CE1-CB 3.39Å; Y253-C260 HydrophobicContact CE2-CB 3.85Å; Y253-C260 HydrophobicContact CG-CB 4.17Å; Y253-C260 VanDerWaalsContact CZ-CB 3.41Å; Y253-C260 PolarHBondContact N-O 2.86Å; Y253-C260 WeakPolarHBondContact O-CA 3.47Å; Y253-C260 WeakPolarHBondContact O-CB 3.42Å; Y253-C260 PolarHBondContact O-N 3.16Å
261	L	97.9	Very high	95.9	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.8	170.2	-55.9	-178.7	0	0	0	108.4	C214 K215 L217 K235 L238 L249 A252 L263 V502	C214-L261 WeakPolarHBondContact CA-O 3.4Å; K215-L261 HydrophobicContact CB-CB 4.38Å; K215-L261 PolarHBondContact N-O 3.32Å; K215-L261 PolarHBondContact O-N 3.24Å; L217-L261 HydrophobicContact CD1-CD1 4.36Å; K235-L261 HydrophobicContact CB-CD2 4.08Å; K235-L261 HydrophobicContact CG-CD2 3.9Å; L238-L261 HydrophobicContact CD1-CD1 4.46Å; L249-L261 HydrophobicContact CD1-CB 3.86Å; L249-L261 HydrophobicContact CD1-CD2 4.07Å; A252-L261 HydrophobicContact CB-CD2 4.01Å; L261-L263 HydrophobicContact CB-CD2 4.22Å; L261-L263 HydrophobicContact CB-CG 4.4Å; L261-V502 HydrophobicContact CD2-CG1 4.38Å
262	V	98.4	Very high	95.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	110	179.7	-174.9	0	0	0	0	108.5	F186 Y212 A213 A250 Y251 Y253	F186-V262 HydrophobicContact CE1-CG1 4.07Å; F186-V262 HydrophobicContact CE1-CG2 4.06Å; F186-V262 HydrophobicContact CE2-CG2 4.29Å; F186-V262 HydrophobicContact CZ-CG2 3.81Å; Y212-V262 HydrophobicContact CD1-CG1 4.04Å; Y212-V262 HydrophobicContact CD2-CG1 4.11Å; Y212-V262 HydrophobicContact CG-CG1 3.59Å; A213-V262 CarbonylContact O-C 3.58Å; A213-V262 WeakPolarHBondContact O-CA 3.21Å; A250-V262 PolarHBondContact N-O 3.41Å; Y251-V262 HydrophobicContact CD2-CB 3.91Å; Y251-V262 HydrophobicContact CD2-CG1 3.8Å; Y251-V262 HydrophobicContact CD2-CG2 4.41Å; Y251-V262 HydrophobicContact CG-CB 4.35Å; Y251-V262 PolarHBondContact N-O 3.43Å; Y251-V262 PolarHBondContact O-N 3.09Å; Y253-V262 HydrophobicContact CD1-CG2 4.2Å; Y253-V262 HydrophobicContact CE1-CG2 3.69Å
263	L	97.9	Very high	95.4	Very high	17 Å²	17	34.7 Å²	34.7	9%	0.089	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	156	-167.8	-53	175.2	0	0	0	110.8	Y212 A213 K215 L238 S248 L249 L261 L265	Y212-L263 VanDerWaalsContact CD1-O 3.32Å; Y212-L263 WeakPolarHBondContact CD1-O 3.48Å; A213-L263 PolarHBondContact N-O 3.13Å; A213-L263 PolarHBondContact O-N 3.29Å; K215-L263 HydrophobicContact CB-CD1 4.19Å; K215-L263 HydrophobicContact CD-CD1 4.43Å; L238-L263 HydrophobicContact CD1-CD2 3.79Å; S248-L263 CarbonylContact O-C 3.47Å; S248-L263 VanDerWaalsContact O-CA 3.28Å; S248-L263 WeakPolarHBondContact O-CA 3.49Å; L249-L263 HydrophobicContact CB-CD2 4.06Å; L249-L263 HydrophobicContact CD1-CD2 3.74Å; L261-L263 HydrophobicContact CB-CD2 4.22Å; L261-L263 HydrophobicContact CB-CG 4.4Å; L263-L265 PolarHBondContact O-N 3.26Å
264	T	96.1	Very high	95.3	Very high	34 Å²	34	34.4 Å²	34.4	21%	0.209	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-42.5	125.7	168.4	-51.8	0	0	0	0	111	S248 M266	S248-T264 PolarHBondContact N-OG1 3.46Å; S248-T264 PolarHBondContact O-N 2.94Å; S248-T264 PolarHBondContact O-OG1 2.69Å; T264-M266 HydrophobicContact CG2-SD 3.83Å
265	L	96.1	Very high	95.3	Very high	17 Å²	17	30.7 Å²	30.7	9%	0.089	16%	0.155	C	C	.	.			trans	-78.3	124.4	175.9	-178	60.1	0	0	0	110.1	L192 M211 A213 L263 N267	L192-L265 HydrophobicContact CD1-CD1 3.58Å; M211-L265 HydrophobicContact CB-CD2 3.72Å; M211-L265 HydrophobicContact CE-CD2 4.26Å; A213-L265 HydrophobicContact CB-CD1 4.04Å; L263-L265 PolarHBondContact O-N 3.26Å; L265-N267 WeakPolarHBondContact CD2-OD1 3.38Å; L265-N267 VanDerWaalsContact CG-OD1 3.26Å; L265-N267 WeakPolarHBondContact CG-OD1 3.49Å
266	M	95.8	Very high	95.2	Very high	16 Å²	16	30.3 Å²	30.3	8%	0.079	15%	0.149	C	C	.	.			trans	-113.2	90.5	179.6	-57.1	-59.9	-69.3	0	0	108.6	V247 T264 G268 L318 L319 D320 R326	V247-M266 HydrophobicContact CG1-CG 4.03Å; T264-M266 HydrophobicContact CG2-SD 3.83Å; M266-G268 VanDerWaalsContact C-N 3.35Å; M266-L318 HydrophobicContact CB-CB 3.41Å; M266-L318 VanDerWaalsContact CB-CB 3.41Å; M266-L318 HydrophobicContact CB-CD1 3.9Å; M266-L318 HydrophobicContact CB-CG 4.3Å; M266-L318 HydrophobicContact CE-CB 4.3Å; M266-L318 WeakPolarHBondContact CE-O 3.49Å; M266-L318 HydrophobicContact CG-CB 3.73Å; M266-L318 HydrophobicContact CG-CD1 3.96Å; M266-L318 HydrophobicContact CG-CG 4.5Å; M266-L319 CarbonylContact C-O 3.58Å; M266-L319 WeakPolarHBondContact CA-O 3.35Å; M266-L319 WeakPolarHBondContact CB-O 3.29Å; M266-L319 VanDerWaalsContact CE-C 3.49Å; M266-D320 HydrophobicContact CE-CB 3.85Å; M266-D320 HydrophobicContact SD-CB 4.19Å; M266-R326 HydrophobicContact CE-CB 3.69Å; M266-R326 HydrophobicContact CE-CG 3.53Å; M266-R326 HydrophobicContact SD-CB 4.29Å; M266-R326 HydrophobicContact SD-CG 4.06Å
267	N	91.7	Very high	95	Very high	20 Å²	20	27.4 Å²	27.4	11%	0.107	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-18.3	-169.5	-71.4	-47.4	0	0	0	114.6	R16 L265 G269 L319 D321	R16-N267 PolarHBondContact NE-ND2 3.07Å; L265-N267 WeakPolarHBondContact CD2-OD1 3.38Å; L265-N267 VanDerWaalsContact CG-OD1 3.26Å; L265-N267 WeakPolarHBondContact CG-OD1 3.49Å; N267-G269 PolarHBondContact O-N 2.51Å; N267-L319 PolarHBondContact N-O 3.03Å; N267-D321 WeakPolarHBondContact CB-OD1 3.32Å; N267-D321 PolarHBondContact ND2-OD1 2.97Å; N267-D321 PolarHBondContact ND2-OD2 3.44Å
268	G	94.4	Very high	94.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-2.1	-179.3	0	0	0	0	0	113.5	M266 H274 L319 Y473	M266-G268 VanDerWaalsContact C-N 3.35Å; G268-H274 PolarHBondContact O-NE2 3.3Å; G268-L319 WeakPolarHBondContact CA-O 3.36Å; G268-L319 PolarHBondContact N-O 3.39Å; G268-Y473 VanDerWaalsContact O-CB 3.29Å; G268-Y473 WeakPolarHBondContact O-CB 3.31Å
269	G	94.1	Very high	94.2	Very high	10 Å²	10	28.4 Å²	28.4	10%	0.103	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.3	-176.5	-179.3	0	0	0	0	0	113	N267 L318 L319 Y473	N267-G269 PolarHBondContact O-N 2.51Å; G269-L318 CarbonylContact O-C 3.39Å; G269-L318 WeakPolarHBondContact O-CA 3.43Å; G269-L319 PolarHBondContact O-N 2.88Å; G269-Y473 WeakPolarHBondContact CA-O 3.23Å
270	D	95.4	Very high	93.9	Very high	48 Å²	48	36.9 Å²	36.9	26%	0.257	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	154.4	-177.6	64.4	78.2	0	0	0	113.2	K272 F273 H274 I317 L318	D270-K272 PolarHBondContact O-N 2.96Å; D270-K272 VanDerWaalsContact O-N 3.17Å; D270-K272 WeakPolarHBondContact OD1-CA 3.38Å; D270-K272 WeakPolarHBondContact OD1-CB 3.47Å; D270-K272 PolarHBondContact OD1-N 2.76Å; D270-F273 WeakPolarHBondContact O-CB 3.48Å; D270-F273 PolarHBondContact O-N 2.8Å; D270-F273 PolarHBondContact OD1-N 3.4Å; D270-H274 PolarHBondContact O-CD2 2.74Å; D270-H274 VanDerWaalsContact O-CD2 3.3Å; D270-H274 PolarHBondContact O-N 3.2Å; D270-I317 CarbonylContact C-O 3.56Å; D270-I317 VanDerWaalsContact CA-O 3.32Å; D270-I317 WeakPolarHBondContact CA-O 3.2Å; D270-L318 HydrophobicContact CB-CD2 3.62Å
271	L	96.9	Very high	93.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-26.6	-179.8	-76.8	-174.9	0	0	0	113.2	F273 H274 I275 F283 Y291 P314 I317 L319 M378	L271-F273 VanDerWaalsContact C-N 3.31Å; L271-F273 PolarHBondContact O-N 3.06Å; L271-H274 PolarHBondContact O-N 3.47Å; L271-I275 HydrophobicContact CB-CD1 4.4Å; L271-I275 WeakPolarHBondContact O-CB 3.43Å; L271-I275 WeakPolarHBondContact O-CG1 3.46Å; L271-I275 PolarHBondContact O-N 2.95Å; L271-F283 HydrophobicContact CD2-CE2 4.02Å; L271-F283 HydrophobicContact CD2-CZ 4.07Å; L271-Y291 HydrophobicContact CD2-CD2 3.75Å; L271-Y291 HydrophobicContact CD2-CE2 3.79Å; L271-P314 HydrophobicContact CB-CB 4.14Å; L271-P314 WeakPolarHBondContact CB-O 3.38Å; L271-P314 PolarHBondContact N-O 2.95Å; L271-P314 VanDerWaalsContact N-O 3.15Å; L271-I317 HydrophobicContact CB-CB 4.38Å; L271-I317 HydrophobicContact CD1-CB 3.63Å; L271-I317 HydrophobicContact CD1-CG1 4.25Å; L271-I317 HydrophobicContact CD1-CG2 3.43Å; L271-I317 VanDerWaalsContact CD1-CG2 3.43Å; L271-I317 HydrophobicContact CG-CB 3.85Å; L271-I317 HydrophobicContact CG-CG2 3.72Å; L271-I317 PolarHBondContact N-O 3.47Å; L271-L319 HydrophobicContact CD2-CD1 3.69Å; L271-L319 HydrophobicContact CG-CD1 4.25Å; L271-M378 HydrophobicContact CD1-SD 3.96Å
272	K	95	Very high	93.7	Very high	83 Å²	83	38.8 Å²	38.8	36%	0.361	22%	0.215	S	C	.	.	H	α-helix	trans	-62.9	-41.8	175.5	-170.8	179.4	-177.3	164.5	0	110.9	D270 H274 Y276 P314 E315	D270-K272 PolarHBondContact O-N 2.96Å; D270-K272 VanDerWaalsContact O-N 3.17Å; D270-K272 WeakPolarHBondContact OD1-CA 3.38Å; D270-K272 WeakPolarHBondContact OD1-CB 3.47Å; D270-K272 PolarHBondContact OD1-N 2.76Å; K272-H274 VanDerWaalsContact C-N 3.33Å; K272-Y276 HydrophobicContact CB-CD2 4.47Å; K272-Y276 HydrophobicContact CG-CD2 3.57Å; K272-Y276 HydrophobicContact CG-CE2 3.96Å; K272-Y276 WeakPolarHBondContact O-CB 3.35Å; K272-Y276 VanDerWaalsContact O-CD2 3.28Å; K272-Y276 WeakPolarHBondContact O-CD2 3.5Å; K272-Y276 PolarHBondContact O-N 3.28Å; K272-Y276 VanDerWaalsContact O-N 3.16Å; K272-P314 HydrophobicContact CB-CB 3.85Å; K272-P314 PolarHBondContact N-O 3.41Å; K272-E315 HydrophobicContact CB-CG 4.23Å; K272-E315 HydrophobicContact CD-CG 3.56Å; K272-E315 WeakPolarHBondContact CD-OE1 3.48Å; K272-E315 WeakPolarHBondContact CE-OE1 3.24Å; K272-E315 IonicContact NZ-OE1 3.97Å; K272-E315 PolarHBondContact NZ-OE1 3.31Å
273	F	92.2	Very high	93.6	Very high	62 Å²	62	39.7 Å²	39.7	27%	0.272	22%	0.219	S	C	.	.	H	α-helix	trans	-58.4	-49.6	174.6	-174.2	-90.8	0	0	0	110.6	D270 L271 Y276 H277 M278 Y473	D270-F273 WeakPolarHBondContact O-CB 3.48Å; D270-F273 PolarHBondContact O-N 2.8Å; D270-F273 PolarHBondContact OD1-N 3.4Å; L271-F273 VanDerWaalsContact C-N 3.31Å; L271-F273 PolarHBondContact O-N 3.06Å; F273-Y276 PolarHBondContact O-N 2.8Å; F273-H277 HydrophobicContact CD2-CB 4.15Å; F273-H277 HydrophobicContact CE2-CB 4Å; F273-H277 HydrophobicContact CG-CB 4.5Å; F273-H277 HydrophobicContact CZ-CB 4.21Å; F273-H277 WeakPolarHBondContact O-CA 3.35Å; F273-H277 WeakPolarHBondContact O-CB 3.35Å; F273-H277 PolarHBondContact O-N 3.49Å; F273-M278 HydrophobicContact CD1-CG 4.25Å; F273-M278 HydrophobicContact CE1-CG 4.01Å; F273-M278 HydrophobicContact CE1-SD 4.45Å; F273-Y473 HydrophobicContact CD1-CD1 4.04Å; F273-Y473 AromaticContact CE1-CD1 3.78Å; F273-Y473 HydrophobicContact CE1-CD1 3.78Å
274	H	94.9	Very high	93.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-45.8	-179.5	-75.2	-97.4	0	0	0	112.9	G268 D270 L271 K272 Y276 M278 F283 R287 F465	G268-H274 PolarHBondContact O-NE2 3.3Å; D270-H274 PolarHBondContact O-CD2 2.74Å; D270-H274 VanDerWaalsContact O-CD2 3.3Å; D270-H274 PolarHBondContact O-N 3.2Å; L271-H274 PolarHBondContact O-N 3.47Å; K272-H274 VanDerWaalsContact C-N 3.33Å; H274-Y276 VanDerWaalsContact C-N 3.34Å; H274-Y276 PolarHBondContact O-N 2.64Å; H274-M278 HydrophobicContact CB-SD 4.36Å; H274-M278 PolarHBondContact CE1-SD 2.98Å; H274-M278 PolarHBondContact ND1-SD 3.42Å; H274-M278 WeakPolarHBondContact O-CB 3.34Å; H274-F283 HydrophobicContact CB-CE1 3.74Å; H274-F283 HydrophobicContact CB-CZ 3.6Å; H274-R287 PolarHBondContact ND1-NH2 2.82Å; H274-F465 AromaticContact CE1-CE1 3.4Å; H274-F465 WeakPolarHBondContact CE1-CE1 3.38Å; H274-F465 AromaticContact CE1-CZ 3.8Å; H274-F465 AromaticContact ND1-CE1 3.73Å
275	I	95.7	Very high	93.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.7	-38.1	-178	-67.9	167.2	0	0	0	111.5	L271 A281 G282 F283 P314 E377 M378	L271-I275 HydrophobicContact CB-CD1 4.4Å; L271-I275 WeakPolarHBondContact O-CB 3.43Å; L271-I275 WeakPolarHBondContact O-CG1 3.46Å; L271-I275 PolarHBondContact O-N 2.95Å; I275-A281 VanDerWaalsContact O-CA 3.3Å; I275-A281 WeakPolarHBondContact O-CA 3.45Å; I275-G282 PolarHBondContact O-N 2.99Å; I275-F283 HydrophobicContact CB-CZ 4.34Å; I275-F283 HydrophobicContact CD1-CE2 4.44Å; I275-F283 HydrophobicContact CD1-CZ 4.47Å; I275-F283 HydrophobicContact CG1-CE1 3.98Å; I275-F283 HydrophobicContact CG1-CE2 3.71Å; I275-F283 HydrophobicContact CG1-CZ 3.39Å; I275-P314 HydrophobicContact CD1-CB 4.05Å; I275-P314 HydrophobicContact CD1-CG 4.12Å; I275-E377 HydrophobicContact CD1-CG 4.35Å; I275-M378 HydrophobicContact CD1-CG 3.87Å; I275-M378 HydrophobicContact CG1-CG 4.39Å
276	Y	92.8	Very high	93.7	Very high	31 Å²	31	52.6 Å²	52.6	12%	0.122	27%	0.271	C	S	.	.	H	α-helix	trans	-110.1	-17.1	-163.9	-69.2	-64.9	0	0	0	115.9	K272 F273 H274 E377 G381 R388	K272-Y276 HydrophobicContact CB-CD2 4.47Å; K272-Y276 HydrophobicContact CG-CD2 3.57Å; K272-Y276 HydrophobicContact CG-CE2 3.96Å; K272-Y276 WeakPolarHBondContact O-CB 3.35Å; K272-Y276 VanDerWaalsContact O-CD2 3.28Å; K272-Y276 WeakPolarHBondContact O-CD2 3.5Å; K272-Y276 PolarHBondContact O-N 3.28Å; K272-Y276 VanDerWaalsContact O-N 3.16Å; F273-Y276 PolarHBondContact O-N 2.8Å; H274-Y276 VanDerWaalsContact C-N 3.34Å; H274-Y276 PolarHBondContact O-N 2.64Å; Y276-E377 WeakPolarHBondContact CE2-OE1 3.31Å; Y276-E377 VanDerWaalsContact CZ-OE1 3.29Å; Y276-E377 PolarHBondContact OH-OE1 3.1Å; Y276-G381 VanDerWaalsContact CE1-O 3.26Å; Y276-G381 WeakPolarHBondContact CE1-O 3.49Å; Y276-R388 PolarHBondContact O-NH2 2.96Å; Y276-R388 VanDerWaalsContact O-NH2 3.1Å
277	H	88	Confident	93.8	Very high	120 Å²	120	52.7 Å²	52.7	56%	0.556	27%	0.27	S	S	*	.	H	α-helix	trans	-125.6	-6.1	-172.8	-53.7	85.1	0	0	0	113.5	F273	F273-H277 HydrophobicContact CD2-CB 4.15Å; F273-H277 HydrophobicContact CE2-CB 4Å; F273-H277 HydrophobicContact CG-CB 4.5Å; F273-H277 HydrophobicContact CZ-CB 4.21Å; F273-H277 WeakPolarHBondContact O-CA 3.35Å; F273-H277 WeakPolarHBondContact O-CB 3.35Å; F273-H277 PolarHBondContact O-N 3.49Å
278	M	84.2	Confident	94.1	Very high	61 Å²	61	51.7 Å²	51.7	30%	0.3	27%	0.265	S	S	.	.	S	Bend	trans	-101.3	82.3	175.4	-66.7	-167.5	58.8	0	0	111.6	F273 H274 F465 Y473	F273-M278 HydrophobicContact CD1-CG 4.25Å; F273-M278 HydrophobicContact CE1-CG 4.01Å; F273-M278 HydrophobicContact CE1-SD 4.45Å; H274-M278 HydrophobicContact CB-SD 4.36Å; H274-M278 PolarHBondContact CE1-SD 2.98Å; H274-M278 PolarHBondContact ND1-SD 3.42Å; H274-M278 WeakPolarHBondContact O-CB 3.34Å; M278-F465 HydrophobicContact CE-CE2 3.71Å; M278-F465 HydrophobicContact CE-CZ 3.64Å; M278-F465 HydrophobicContact SD-CZ 4.29Å; M278-Y473 HydrophobicContact CE-CE1 4.38Å; M278-Y473 HydrophobicContact SD-CD1 4.42Å; M278-Y473 HydrophobicContact SD-CE1 3.99Å
279	G	85.7	Confident	94.3	Very high	74 Å²	74	52.3 Å²	52.3	76%	0.763	27%	0.269	S	S	*	.	S	Bend	trans	77.6	-137.3	177.4	0	0	0	0	0	113.1
280	E	91.4	Very high	94.5	Very high	179 Å²	179	52.3 Å²	52.3	84%	0.836	27%	0.266	S	S	*	.	S	Bend	trans	-69.3	145.3	173.8	-65.3	-168.3	168.6	0	0	110.8	G282	E280-G282 PolarHBondContact O-N 3.45Å
281	A	94.6	Very high	94.7	Very high	28 Å²	28	50 Å²	50	23%	0.231	25%	0.254	C	S	.	.	S	Bend	trans	-68.9	134.9	-174.9	0	0	0	0	0	112.2	I275 K411	I275-A281 VanDerWaalsContact O-CA 3.3Å; I275-A281 WeakPolarHBondContact O-CA 3.45Å; A281-K411 PolarHBondContact O-NZ 3.23Å
282	G	96.3	Very high	94.8	Very high	14 Å²	14	50.1 Å²	50.1	14%	0.144	25%	0.254	C	S	.	.	S	Bend	trans	94.4	-178.2	-174.9	0	0	0	0	0	113	I275 E280 M378	I275-G282 PolarHBondContact O-N 2.99Å; E280-G282 PolarHBondContact O-N 3.45Å; G282-M378 CarbonylContact C-O 3.46Å; G282-M378 WeakPolarHBondContact CA-O 3.48Å
283	F	97.4	Very high	94.9	Very high	20 Å²	20	46.1 Å²	46.1	9%	0.088	24%	0.237	C	C	.	.			trans	-121.5	162.8	-179.7	-55.6	-34.9	0	0	0	110.4	L271 H274 I275 R287 Y291 M378	L271-F283 HydrophobicContact CD2-CE2 4.02Å; L271-F283 HydrophobicContact CD2-CZ 4.07Å; H274-F283 HydrophobicContact CB-CE1 3.74Å; H274-F283 HydrophobicContact CB-CZ 3.6Å; I275-F283 HydrophobicContact CB-CZ 4.34Å; I275-F283 HydrophobicContact CD1-CE2 4.44Å; I275-F283 HydrophobicContact CD1-CZ 4.47Å; I275-F283 HydrophobicContact CG1-CE1 3.98Å; I275-F283 HydrophobicContact CG1-CE2 3.71Å; I275-F283 HydrophobicContact CG1-CZ 3.39Å; F283-R287 HydrophobicContact CB-CB 4.17Å; F283-R287 HydrophobicContact CB-CG 4.28Å; F283-R287 HydrophobicContact CD2-CG 4.26Å; F283-R287 HydrophobicContact CG-CG 4.23Å; F283-Y291 HydrophobicContact CD2-CD2 4.44Å; F283-Y291 HydrophobicContact CE2-CD2 4.1Å; F283-Y291 HydrophobicContact CE2-CE2 4.16Å; F283-M378 HydrophobicContact CD2-CB 3.79Å; F283-M378 HydrophobicContact CD2-CG 3.84Å; F283-M378 HydrophobicContact CD2-SD 4.07Å; F283-M378 HydrophobicContact CE2-CB 4.17Å; F283-M378 HydrophobicContact CE2-CG 3.71Å; F283-M378 HydrophobicContact CE2-SD 3.89Å; F283-M378 PolarHBondContact N-O 2.95Å
284	D	95.8	Very high	95.3	Very high	92 Å²	92	43.2 Å²	43.2	49%	0.492	22%	0.224	S	C	.	.			trans	-62.6	151.2	158.6	66.9	96.4	0	0	0	110.5	R286 R287 A288	D284-R286 VanDerWaalsContact C-N 3.26Å; D284-R286 PolarHBondContact O-N 3.06Å; D284-R286 WeakPolarHBondContact OD1-CB 3.47Å; D284-R286 PolarHBondContact OD1-N 2.98Å; D284-R287 PolarHBondContact O-N 2.79Å; D284-R287 PolarHBondContact OD1-N 3.41Å; D284-R287 WeakPolarHBondContact OD2-CB 3.36Å; D284-A288 PolarHBondContact O-N 3.17Å; D284-A288 VanDerWaalsContact O-N 3.1Å
285	E	97	Very high	95.5	Very high	54 Å²	54	43.2 Å²	43.2	25%	0.252	22%	0.224	S	C	.	.	H	α-helix	trans	-59.7	-36.4	-175	-172.8	170.8	115.2	0	0	112.2	R287 A288 V289 I379 S413 A416	E285-R287 VanDerWaalsContact C-N 3.35Å; E285-R287 PolarHBondContact O-N 3.23Å; E285-A288 PolarHBondContact O-N 3.47Å; E285-V289 HydrophobicContact CG-CG2 4.01Å; E285-V289 WeakPolarHBondContact O-CB 3.22Å; E285-V289 WeakPolarHBondContact O-CG2 3.42Å; E285-V289 PolarHBondContact O-N 2.9Å; E285-I379 HydrophobicContact CG-CD1 4.49Å; E285-S413 WeakPolarHBondContact OE1-CB 3.49Å; E285-S413 PolarHBondContact OE1-OG 3.23Å; E285-S413 VanDerWaalsContact OE2-CB 3.25Å; E285-S413 WeakPolarHBondContact OE2-CB 3.44Å; E285-S413 PolarHBondContact OE2-N 2.8Å; E285-S413 VanDerWaalsContact OE2-N 3.1Å; E285-S413 PolarHBondContact OE2-OG 3.33Å; E285-A416 HydrophobicContact CG-CB 4.4Å; E285-A416 VanDerWaalsContact OE2-CB 3.3Å; E285-A416 WeakPolarHBondContact OE2-CB 3.45Å
286	R	97.5	Very high	95.6	Very high	193 Å²	193	43.2 Å²	43.2	73%	0.728	22%	0.224	S	C	*	.	H	α-helix	trans	-62.3	-42.5	179.8	-179.4	-175.1	179.3	-165.4	-0.7	111.3	D284 F290	D284-R286 VanDerWaalsContact C-N 3.26Å; D284-R286 PolarHBondContact O-N 3.06Å; D284-R286 WeakPolarHBondContact OD1-CB 3.47Å; D284-R286 PolarHBondContact OD1-N 2.98Å; R286-F290 WeakPolarHBondContact O-CB 3.34Å; R286-F290 PolarHBondContact O-N 2.77Å
287	R	98	Very high	95.9	Very high	17 Å²	17	41.8 Å²	41.8	6%	0.064	22%	0.219	C	C	.	.	H	α-helix	trans	-65.6	-45.4	174.5	-177.8	175.9	-173.7	-162.2	-3.4	112.4	H274 F283 D284 E285 V289 F290 Y291 P464 F465	H274-R287 PolarHBondContact ND1-NH2 2.82Å; F283-R287 HydrophobicContact CB-CB 4.17Å; F283-R287 HydrophobicContact CB-CG 4.28Å; F283-R287 HydrophobicContact CD2-CG 4.26Å; F283-R287 HydrophobicContact CG-CG 4.23Å; D284-R287 PolarHBondContact O-N 2.79Å; D284-R287 PolarHBondContact OD1-N 3.41Å; D284-R287 WeakPolarHBondContact OD2-CB 3.36Å; E285-R287 VanDerWaalsContact C-N 3.35Å; E285-R287 PolarHBondContact O-N 3.23Å; R287-V289 PolarHBondContact O-N 3.29Å; R287-F290 PolarHBondContact O-N 2.93Å; R287-Y291 HydrophobicContact CG-CD2 4.13Å; R287-Y291 HydrophobicContact CG-CE2 3.6Å; R287-Y291 VanDerWaalsContact NE-CE2 3.3Å; R287-Y291 PolarHBondContact NE-OH 3.03Å; R287-Y291 VanDerWaalsContact NE-OH 3.13Å; R287-Y291 PolarHBondContact NH2-OH 3.3Å; R287-Y291 PolarHBondContact O-N 3.27Å; R287-Y291 VanDerWaalsContact O-N 3.14Å; R287-P464 HydrophobicContact CB-CG 4.02Å; R287-P464 HydrophobicContact CG-CG 4.2Å; R287-F465 VanDerWaalsContact CZ-CG 3.5Å
288	A	98.5	Very high	96.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-43.7	178.2	0	0	0	0	0	112.3	D284 E285 Y291 A292 L375 M378 I379	D284-A288 PolarHBondContact O-N 3.17Å; D284-A288 VanDerWaalsContact O-N 3.1Å; E285-A288 PolarHBondContact O-N 3.47Å; A288-Y291 PolarHBondContact O-N 3.05Å; A288-A292 WeakPolarHBondContact O-CB 3.32Å; A288-A292 PolarHBondContact O-N 2.9Å; A288-L375 HydrophobicContact CB-CD1 4.06Å; A288-M378 HydrophobicContact CB-CB 3.81Å; A288-M378 HydrophobicContact CB-CE 4.36Å; A288-M378 WeakPolarHBondContact O-CE 3.4Å; A288-I379 HydrophobicContact CB-CD1 4.45Å; A288-I379 HydrophobicContact CB-CG1 3.71Å
289	V	98.6	Very high	97.1	Very high	13 Å²	13	33.2 Å²	33.2	8%	0.079	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-41.2	178.1	170.8	0	0	0	0	111.5	E285 R287 A292 A293 I447 F448	E285-V289 HydrophobicContact CG-CG2 4.01Å; E285-V289 WeakPolarHBondContact O-CB 3.22Å; E285-V289 WeakPolarHBondContact O-CG2 3.42Å; E285-V289 PolarHBondContact O-N 2.9Å; R287-V289 PolarHBondContact O-N 3.29Å; V289-A292 PolarHBondContact O-N 3.29Å; V289-A293 WeakPolarHBondContact O-CB 3.43Å; V289-A293 PolarHBondContact O-N 3.12Å; V289-I447 HydrophobicContact CG1-CG1 4.28Å; V289-I447 HydrophobicContact CG2-CD1 3.99Å; V289-I447 HydrophobicContact CG2-CG1 3.58Å; V289-F448 HydrophobicContact CG1-CD1 3.77Å; V289-F448 HydrophobicContact CG1-CE1 3.92Å
290	F	98.8	Very high	97.7	Very high	10 Å²	10	31.4 Å²	31.4	4%	0.044	15%	0.15	C	C	.	.	H	α-helix	trans	-59.7	-49.5	176.2	-174.3	-88.4	0	0	0	111.6	R286 R287 A292 A293 E294 I451 L456 L461 P463 P464	R286-F290 WeakPolarHBondContact O-CB 3.34Å; R286-F290 PolarHBondContact O-N 2.77Å; R287-F290 PolarHBondContact O-N 2.93Å; F290-A292 PolarHBondContact O-N 3.31Å; F290-A293 WeakPolarHBondContact O-CB 3.14Å; F290-A293 PolarHBondContact O-N 2.96Å; F290-E294 HydrophobicContact CD1-CG 4.45Å; F290-E294 HydrophobicContact CE1-CG 4.1Å; F290-E294 PolarHBondContact O-N 2.93Å; F290-E294 VanDerWaalsContact O-N 3.14Å; F290-I451 HydrophobicContact CD2-CD1 4.4Å; F290-L456 HydrophobicContact CE2-CD1 3.84Å; F290-L456 HydrophobicContact CZ-CD1 3.82Å; F290-L461 HydrophobicContact CE2-CB 3.96Å; F290-P463 HydrophobicContact CE1-CB 3.86Å; F290-P463 HydrophobicContact CE1-CG 3.96Å; F290-P463 HydrophobicContact CZ-CB 4.15Å; F290-P463 HydrophobicContact CZ-CG 3.99Å; F290-P464 HydrophobicContact CB-CG 3.9Å; F290-P464 HydrophobicContact CD1-CG 4.42Å; F290-P464 VanDerWaalsContact CG-CD 3.49Å; F290-P464 HydrophobicContact CG-CG 4.12Å
291	Y	98.8	Very high	98	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66.4	-38.4	177.6	-64.4	-27.2	0	0	0	112.4	L271 F283 R287 A288 A293 E294 I295 L319 G323 I325 M378	L271-Y291 HydrophobicContact CD2-CD2 3.75Å; L271-Y291 HydrophobicContact CD2-CE2 3.79Å; F283-Y291 HydrophobicContact CD2-CD2 4.44Å; F283-Y291 HydrophobicContact CE2-CD2 4.1Å; F283-Y291 HydrophobicContact CE2-CE2 4.16Å; R287-Y291 HydrophobicContact CG-CD2 4.13Å; R287-Y291 HydrophobicContact CG-CE2 3.6Å; R287-Y291 VanDerWaalsContact NE-CE2 3.3Å; R287-Y291 PolarHBondContact NE-OH 3.03Å; R287-Y291 VanDerWaalsContact NE-OH 3.13Å; R287-Y291 PolarHBondContact NH2-OH 3.3Å; R287-Y291 PolarHBondContact O-N 3.27Å; R287-Y291 VanDerWaalsContact O-N 3.14Å; A288-Y291 PolarHBondContact O-N 3.05Å; Y291-A293 VanDerWaalsContact C-N 3.27Å; Y291-A293 PolarHBondContact O-N 3.17Å; Y291-E294 PolarHBondContact O-N 2.91Å; Y291-I295 WeakPolarHBondContact O-CB 3.26Å; Y291-I295 WeakPolarHBondContact O-CD1 3.28Å; Y291-I295 WeakPolarHBondContact O-CG1 3.4Å; Y291-I295 PolarHBondContact O-N 3.01Å; Y291-L319 WeakPolarHBondContact OH-CD2 3.21Å; Y291-G323 WeakPolarHBondContact CE1-O 3.49Å; Y291-I325 HydrophobicContact CD1-CG1 4.45Å; Y291-I325 HydrophobicContact CD1-CG2 3.51Å; Y291-I325 HydrophobicContact CE1-CG2 3.78Å; Y291-I325 HydrophobicContact CG-CG2 3.95Å; Y291-M378 HydrophobicContact CD2-SD 4.16Å
292	A	98.8	Very high	98.2	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-61.2	-36.1	174.7	0	0	0	0	0	112.4	A288 V289 F290 C296 L371 L375 M378 F448	A288-A292 WeakPolarHBondContact O-CB 3.32Å; A288-A292 PolarHBondContact O-N 2.9Å; V289-A292 PolarHBondContact O-N 3.29Å; F290-A292 PolarHBondContact O-N 3.31Å; A292-C296 VanDerWaalsContact O-CB 3.27Å; A292-C296 WeakPolarHBondContact O-CB 3.45Å; A292-C296 PolarHBondContact O-N 3.11Å; A292-L371 HydrophobicContact CB-CD1 4.29Å; A292-L375 HydrophobicContact CB-CD1 4.07Å; A292-M378 HydrophobicContact CB-CE 4.26Å; A292-F448 HydrophobicContact CB-CE1 4.34Å; A292-F448 HydrophobicContact CB-CZ 4.35Å
293	A	98.9	Very high	98.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.7	-43.6	174.7	0	0	0	0	0	112	V289 F290 Y291 C296 C297 F448 I451 F453 L456	V289-A293 WeakPolarHBondContact O-CB 3.43Å; V289-A293 PolarHBondContact O-N 3.12Å; F290-A293 WeakPolarHBondContact O-CB 3.14Å; F290-A293 PolarHBondContact O-N 2.96Å; Y291-A293 VanDerWaalsContact C-N 3.27Å; Y291-A293 PolarHBondContact O-N 3.17Å; A293-C296 WeakPolarHBondContact O-CB 3.34Å; A293-C296 PolarHBondContact O-N 3.41Å; A293-C297 PolarHBondContact O-N 3.01Å; A293-C297 VanDerWaalsContact O-N 3.13Å; A293-F448 HydrophobicContact CB-CD1 3.99Å; A293-F448 HydrophobicContact CB-CE1 3.87Å; A293-I451 HydrophobicContact CB-CG2 4.16Å; A293-F453 HydrophobicContact CB-CE1 3.82Å; A293-F453 HydrophobicContact CB-CZ 4Å; A293-L456 HydrophobicContact CB-CD2 3.68Å
294	E	98.8	Very high	98.2	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-65.1	-41.8	175.6	-68.2	-162.3	129.3	0	0	112.2	F245 F290 Y291 C296 C297 G298 H324 I325 L456	F245-E294 HydrophobicContact CD1-CB 3.81Å; F245-E294 HydrophobicContact CD1-CG 4.19Å; F245-E294 HydrophobicContact CE1-CB 3.92Å; F245-E294 HydrophobicContact CE1-CG 3.82Å; F290-E294 HydrophobicContact CD1-CG 4.45Å; F290-E294 HydrophobicContact CE1-CG 4.1Å; F290-E294 PolarHBondContact O-N 2.93Å; F290-E294 VanDerWaalsContact O-N 3.14Å; Y291-E294 PolarHBondContact O-N 2.91Å; E294-C296 VanDerWaalsContact C-N 3.31Å; E294-C296 PolarHBondContact O-N 3.38Å; E294-C297 PolarHBondContact O-N 3.15Å; E294-G298 PolarHBondContact O-N 3.29Å; E294-H324 IonicContact OE1-CE1 2.88Å; E294-H324 IonicContact OE1-CG 2.68Å; E294-H324 IonicContact OE1-ND1 3.38Å; E294-H324 PolarHBondContact OE1-ND1 2.83Å; E294-I325 HydrophobicContact CB-CD1 3.57Å; E294-I325 HydrophobicContact CB-CG1 3.63Å; E294-I325 WeakPolarHBondContact OE2-CG1 3.08Å; E294-I325 PolarHBondContact OE2-N 2.85Å; E294-L456 HydrophobicContact CG-CD1 3.79Å; E294-L456 HydrophobicContact CG-CD2 4.11Å; E294-L456 HydrophobicContact CG-CG 4.18Å
295	I	98.9	Very high	98.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.2	-40.2	176.4	-63.9	163.4	0	0	0	110	Y291 C297 G298 L299 L312 I317 I325 L371 L374	Y291-I295 WeakPolarHBondContact O-CB 3.26Å; Y291-I295 WeakPolarHBondContact O-CD1 3.28Å; Y291-I295 WeakPolarHBondContact O-CG1 3.4Å; Y291-I295 PolarHBondContact O-N 3.01Å; I295-C297 VanDerWaalsContact C-N 3.33Å; I295-C297 PolarHBondContact O-N 3.38Å; I295-G298 PolarHBondContact O-N 3.33Å; I295-G298 VanDerWaalsContact O-N 3.15Å; I295-L299 HydrophobicContact CG2-CD1 4.33Å; I295-L299 HydrophobicContact CG2-CG 4.32Å; I295-L299 WeakPolarHBondContact O-CG 3.38Å; I295-L299 PolarHBondContact O-N 3.11Å; I295-L312 HydrophobicContact CG2-CD1 3.9Å; I295-L312 HydrophobicContact CG2-CD2 3.81Å; I295-I317 HydrophobicContact CD1-CD1 4.43Å; I295-I317 HydrophobicContact CD1-CG1 4.11Å; I295-I317 HydrophobicContact CD1-CG2 4.27Å; I295-I317 HydrophobicContact CG1-CD1 4.27Å; I295-I317 HydrophobicContact CG1-CG1 4.45Å; I295-I317 HydrophobicContact CG1-CG2 4.41Å; I295-I325 HydrophobicContact CG1-CD1 3.64Å; I295-I325 HydrophobicContact CG1-CG1 4.12Å; I295-L371 HydrophobicContact CB-CD1 4.13Å; I295-L371 HydrophobicContact CG2-CD1 3.83Å; I295-L374 HydrophobicContact CD1-CD2 3.61Å
296	C	98.8	Very high	98.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.7	-44.5	174.9	179.9	0	0	0	0	111.7	A292 A293 E294 L299 E300 L371	A292-C296 VanDerWaalsContact O-CB 3.27Å; A292-C296 WeakPolarHBondContact O-CB 3.45Å; A292-C296 PolarHBondContact O-N 3.11Å; A293-C296 WeakPolarHBondContact O-CB 3.34Å; A293-C296 PolarHBondContact O-N 3.41Å; E294-C296 VanDerWaalsContact C-N 3.31Å; E294-C296 PolarHBondContact O-N 3.38Å; C296-L299 PolarHBondContact O-N 3.42Å; C296-E300 WeakPolarHBondContact O-CB 3.38Å; C296-E300 PolarHBondContact O-N 3.47Å; C296-L371 HydrophobicContact CB-CD2 4.37Å
297	C	98.8	Very high	98.3	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.007	8%	0.082	C	C	.	.	H	α-helix	trans	-63.3	-41.7	173.6	-68.6	0	0	0	0	112.3	F245 A293 E294 I295 L299 E300 D301	F245-C297 HydrophobicContact CD2-CB 3.37Å; F245-C297 HydrophobicContact CE2-CB 3.32Å; F245-C297 HydrophobicContact CG-CB 4.02Å; F245-C297 HydrophobicContact CZ-CB 3.93Å; A293-C297 PolarHBondContact O-N 3.01Å; A293-C297 VanDerWaalsContact O-N 3.13Å; E294-C297 PolarHBondContact O-N 3.15Å; I295-C297 VanDerWaalsContact C-N 3.33Å; I295-C297 PolarHBondContact O-N 3.38Å; C297-L299 PolarHBondContact O-N 2.89Å; C297-E300 WeakPolarHBondContact O-CB 3.47Å; C297-E300 PolarHBondContact O-N 3.36Å; C297-D301 PolarHBondContact O-N 3.24Å
298	G	98.7	Very high	98.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.7	-40.8	176	0	0	0	0	0	113.5	F245 E294 I295 D301 L302	F245-G298 VanDerWaalsContact CB-CA 3.48Å; E294-G298 PolarHBondContact O-N 3.29Å; I295-G298 PolarHBondContact O-N 3.33Å; I295-G298 VanDerWaalsContact O-N 3.15Å; G298-D301 PolarHBondContact O-N 3.43Å; G298-L302 WeakPolarHBondContact O-CG 3.27Å; G298-L302 PolarHBondContact O-N 3.05Å; G298-L302 VanDerWaalsContact O-N 3.14Å
299	L	98.8	Very high	98.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.2	-43.3	173.5	-69.5	-179.4	0	0	0	111.5	I295 C296 C297 D301 L302 H303 Y309 L312 I327 D367 W368 L371	I295-L299 HydrophobicContact CG2-CD1 4.33Å; I295-L299 HydrophobicContact CG2-CG 4.32Å; I295-L299 WeakPolarHBondContact O-CG 3.38Å; I295-L299 PolarHBondContact O-N 3.11Å; C296-L299 PolarHBondContact O-N 3.42Å; C297-L299 PolarHBondContact O-N 2.89Å; L299-D301 VanDerWaalsContact C-N 3.32Å; L299-D301 PolarHBondContact O-N 2.92Å; L299-L302 PolarHBondContact O-N 2.97Å; L299-H303 WeakPolarHBondContact O-CB 3.13Å; L299-H303 PolarHBondContact O-CD2 2.71Å; L299-H303 PolarHBondContact O-N 3.05Å; L299-Y309 HydrophobicContact CD2-CD1 4.37Å; L299-L312 HydrophobicContact CD1-CD2 4.08Å; L299-I327 HydrophobicContact CD2-CD1 4.14Å; L299-I327 HydrophobicContact CG-CD1 4.39Å; L299-D367 HydrophobicContact CD1-CB 4.11Å; L299-D367 HydrophobicContact CD2-CB 3.85Å; L299-W368 HydrophobicContact CB-CH2 4.02Å; L299-W368 HydrophobicContact CB-CZ3 4.13Å; L299-W368 HydrophobicContact CD1-CE3 3.96Å; L299-W368 HydrophobicContact CD1-CH2 4.46Å; L299-W368 HydrophobicContact CD1-CZ3 3.79Å; L299-L371 HydrophobicContact CD1-CB 4.31Å
300	E	98.6	Very high	98.3	Very high	36 Å²	36	19.6 Å²	19.6	17%	0.168	8%	0.082	C	C	.	.	H	α-helix	trans	-57.9	-44.3	175.7	-174	-174.1	-140.6	0	0	112	C296 C297 L302 H303 R304 A439 K443	C296-E300 WeakPolarHBondContact O-CB 3.38Å; C296-E300 PolarHBondContact O-N 3.47Å; C297-E300 WeakPolarHBondContact O-CB 3.47Å; C297-E300 PolarHBondContact O-N 3.36Å; E300-L302 PolarHBondContact O-N 3.45Å; E300-H303 PolarHBondContact O-N 3.37Å; E300-R304 WeakPolarHBondContact O-CB 3.44Å; E300-R304 PolarHBondContact O-N 2.71Å; E300-R304 IonicContact OE2-NH2 3.71Å; E300-A439 HydrophobicContact CB-CB 3.61Å; E300-A439 HydrophobicContact CG-CB 3.58Å; E300-K443 IonicContact OE1-NZ 3.53Å; E300-K443 PolarHBondContact OE1-NZ 3.3Å; E300-K443 IonicContact OE2-NZ 3.69Å; E300-K443 PolarHBondContact OE2-NZ 3.46Å
301	D	98.3	Very high	98.2	Very high	29 Å²	29	19.7 Å²	19.7	16%	0.155	8%	0.083	C	C	.	.	H	α-helix	trans	-63	-41.3	178	-73.3	-23	0	0	0	112	S243 C297 G298 L299 R304 E305	S243-D301 WeakPolarHBondContact CB-OD2 3.48Å; S243-D301 PolarHBondContact OG-OD2 3.11Å; C297-D301 PolarHBondContact O-N 3.24Å; G298-D301 PolarHBondContact O-N 3.43Å; L299-D301 VanDerWaalsContact C-N 3.32Å; L299-D301 PolarHBondContact O-N 2.92Å; D301-R304 IonicContact OD1-CZ 3.47Å; D301-R304 IonicContact OD1-NH1 3.59Å; D301-R304 PolarHBondContact OD1-NH1 3.31Å; D301-R304 IonicContact OD1-NH2 3.28Å; D301-R304 PolarHBondContact OD1-NH2 3.01Å; D301-E305 PolarHBondContact O-N 3.04Å
302	L	98.4	Very high	98.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.3	-45.5	174.2	-68.3	173.7	0	0	0	111.6	V241 V246 G298 L299 E300 R304 E305 R306 I307 Y309 I327 L330	V241-L302 HydrophobicContact CG1-CD2 4.06Å; V241-L302 HydrophobicContact CG2-CD2 3.73Å; V246-L302 HydrophobicContact CG2-CD1 4.39Å; V246-L302 HydrophobicContact CG2-CD2 4.25Å; V246-L302 HydrophobicContact CG2-CG 4.16Å; G298-L302 WeakPolarHBondContact O-CG 3.27Å; G298-L302 PolarHBondContact O-N 3.05Å; G298-L302 VanDerWaalsContact O-N 3.14Å; L299-L302 PolarHBondContact O-N 2.97Å; E300-L302 PolarHBondContact O-N 3.45Å; L302-R304 VanDerWaalsContact C-N 3.33Å; L302-R304 PolarHBondContact O-N 2.81Å; L302-E305 CarbonylContact O-C 3.59Å; L302-E305 WeakPolarHBondContact O-CA 3.39Å; L302-E305 PolarHBondContact O-N 3.46Å; L302-E305 VanDerWaalsContact O-N 3.12Å; L302-R306 PolarHBondContact O-N 2.93Å; L302-I307 CarbonylContact C-O 3.43Å; L302-I307 HydrophobicContact CB-CB 4.41Å; L302-I307 HydrophobicContact CD2-CG2 4.29Å; L302-I307 WeakPolarHBondContact O-CB 3.49Å; L302-I307 PolarHBondContact O-N 3.4Å; L302-Y309 HydrophobicContact CD1-CG 4.3Å; L302-I327 HydrophobicContact CD1-CD1 4.35Å; L302-L330 HydrophobicContact CD2-CD2 4.09Å
303	H	98.1	Very high	98.2	Very high	21 Å²	21	21 Å²	21	10%	0.097	9%	0.089	C	C	.	.	H	α-helix	trans	-66.5	-34.7	-178.5	-65.6	177.9	0	0	0	111.9	L299 E300 E305 R306 I307 F364 D367 W368	L299-H303 WeakPolarHBondContact O-CB 3.13Å; L299-H303 PolarHBondContact O-CD2 2.71Å; L299-H303 PolarHBondContact O-N 3.05Å; E300-H303 PolarHBondContact O-N 3.37Å; H303-E305 PolarHBondContact O-N 3.47Å; H303-R306 VanDerWaalsContact O-CA 3.3Å; H303-R306 WeakPolarHBondContact O-CA 3.27Å; H303-R306 PolarHBondContact O-N 3.33Å; H303-I307 PolarHBondContact CD2-O 2.86Å; H303-F364 HydrophobicContact CB-CD1 4.32Å; H303-F364 HydrophobicContact CB-CE1 4.37Å; H303-F364 HydrophobicContact CB-CG 4.41Å; H303-F364 HydrophobicContact CB-CZ 4.45Å; H303-F364 AromaticContact CD2-CD1 3.57Å; H303-F364 AromaticContact CG-CD1 3.82Å; H303-F364 AromaticContact CG-CG 3.89Å; H303-F364 AromaticContact NE2-CD1 3.98Å; H303-D367 IonicContact CD2-OD2 2.93Å; H303-D367 IonicContact CE1-OD2 2.72Å; H303-D367 IonicContact NE2-OD2 2.83Å; H303-D367 PolarHBondContact NE2-OD2 2.76Å; H303-W368 AromaticContact CE1-CE2 3.77Å; H303-W368 AromaticContact CE1-CZ2 3.74Å; H303-W368 AromaticContact CE1-NE1 3.9Å; H303-W368 AromaticContact ND1-CE2 3.92Å; H303-W368 AromaticContact ND1-CZ2 3.58Å
304	R	96.3	Very high	98.1	Very high	151 Å²	151	21 Å²	21	57%	0.57	9%	0.089	S	C	*	.	H	α-helix	trans	-60.2	-36.9	172.8	-168.2	-175.2	-58.2	124.5	5.7	111.6	E300 D301 L302 R306	E300-R304 WeakPolarHBondContact O-CB 3.44Å; E300-R304 PolarHBondContact O-N 2.71Å; E300-R304 IonicContact OE2-NH2 3.71Å; D301-R304 IonicContact OD1-CZ 3.47Å; D301-R304 IonicContact OD1-NH1 3.59Å; D301-R304 PolarHBondContact OD1-NH1 3.31Å; D301-R304 IonicContact OD1-NH2 3.28Å; D301-R304 PolarHBondContact OD1-NH2 3.01Å; L302-R304 VanDerWaalsContact C-N 3.33Å; L302-R304 PolarHBondContact O-N 2.81Å; R304-R306 PolarHBondContact O-N 3.03Å
305	E	96.3	Very high	97.9	Very high	67 Å²	67	23.8 Å²	23.8	31%	0.313	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	8.3	172.7	-71.3	-60.1	148.5	0	0	113.9	K240 D301 L302 H303 I307	K240-E305 WeakPolarHBondContact CE-OE2 3.5Å; K240-E305 IonicContact NZ-OE2 2.73Å; K240-E305 PolarHBondContact NZ-OE2 2.65Å; D301-E305 PolarHBondContact O-N 3.04Å; L302-E305 CarbonylContact O-C 3.59Å; L302-E305 WeakPolarHBondContact O-CA 3.39Å; L302-E305 PolarHBondContact O-N 3.46Å; L302-E305 VanDerWaalsContact O-N 3.12Å; H303-E305 PolarHBondContact O-N 3.47Å; E305-I307 VanDerWaalsContact C-N 3.26Å; E305-I307 HydrophobicContact CB-CD1 3.81Å; E305-I307 HydrophobicContact CB-CG1 4.39Å; E305-I307 PolarHBondContact O-N 3.41Å
306	R	97	Very high	97.9	Very high	52 Å²	52	24.3 Å²	24.3	20%	0.196	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	30	-177.4	-60.2	-75	-59.3	141.4	11.3	113.1	L302 H303 R304 R335 V336 P337 D338	L302-R306 PolarHBondContact O-N 2.93Å; H303-R306 VanDerWaalsContact O-CA 3.3Å; H303-R306 WeakPolarHBondContact O-CA 3.27Å; H303-R306 PolarHBondContact O-N 3.33Å; R304-R306 PolarHBondContact O-N 3.03Å; R306-R335 HydrophobicContact CB-CG 4.35Å; R306-R335 CarbonylContact O-C 3.57Å; R306-R335 WeakPolarHBondContact O-CA 3.48Å; R306-V336 PolarHBondContact NE-O 2.95Å; R306-V336 PolarHBondContact NH2-O 2.84Å; R306-V336 VanDerWaalsContact NH2-O 3.16Å; R306-V336 PolarHBondContact O-N 3.34Å; R306-P337 PolarHBondContact NH2-O 3.16Å; R306-D338 WeakPolarHBondContact CD-OD1 3.21Å; R306-D338 WeakPolarHBondContact CG-OD1 3.45Å; R306-D338 IonicContact NE-OD1 2.85Å; R306-D338 PolarHBondContact NE-OD1 3.07Å; R306-D338 VanDerWaalsContact NE-OD1 3.07Å
307	I	98.3	Very high	97.9	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.9	179.6	-66.1	155.2	0	0	0	109.3	I237 V241 L302 H303 E305 A333 I334	I237-I307 HydrophobicContact CD1-CG2 4.31Å; I237-I307 HydrophobicContact CG1-CD1 4.47Å; I237-I307 HydrophobicContact CG2-CD1 3.95Å; I237-I307 HydrophobicContact CG2-CG2 4.28Å; V241-I307 HydrophobicContact CG2-CD1 3.8Å; L302-I307 CarbonylContact C-O 3.43Å; L302-I307 HydrophobicContact CB-CB 4.41Å; L302-I307 HydrophobicContact CD2-CG2 4.29Å; L302-I307 WeakPolarHBondContact O-CB 3.49Å; L302-I307 PolarHBondContact O-N 3.4Å; H303-I307 PolarHBondContact CD2-O 2.86Å; E305-I307 VanDerWaalsContact C-N 3.26Å; E305-I307 HydrophobicContact CB-CD1 3.81Å; E305-I307 HydrophobicContact CB-CG1 4.39Å; E305-I307 PolarHBondContact O-N 3.41Å; I307-A333 HydrophobicContact CG2-CB 3.95Å; I307-I334 WeakPolarHBondContact CA-O 3.48Å
308	V	98.5	Very high	97.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	134.1	167.8	61.4	0	0	0	0	109.3	R310 A333 I334 V336 I342 T363 F364 D367	V308-R310 HydrophobicContact CB-CG 4.32Å; V308-R310 HydrophobicContact CG1-CG 3.91Å; V308-R310 HydrophobicContact CG2-CG 3.67Å; V308-A333 CarbonylContact O-C 3.15Å; V308-A333 VanDerWaalsContact O-CA 3.22Å; V308-A333 WeakPolarHBondContact O-CA 3.27Å; V308-I334 HydrophobicContact CG1-CG2 3.59Å; V308-I334 PolarHBondContact N-O 2.73Å; V308-I334 PolarHBondContact O-N 2.83Å; V308-V336 HydrophobicContact CB-CG2 4.11Å; V308-V336 HydrophobicContact CG1-CG2 3.68Å; V308-I342 HydrophobicContact CG1-CD1 3.65Å; V308-T363 WeakPolarHBondContact CB-O 3.47Å; V308-T363 VanDerWaalsContact CG2-O 3.27Å; V308-T363 WeakPolarHBondContact CG2-O 3.36Å; V308-F364 HydrophobicContact CB-CD1 3.89Å; V308-F364 HydrophobicContact CB-CE1 4.36Å; V308-F364 HydrophobicContact CG2-CD1 4.42Å; V308-D367 WeakPolarHBondContact CG2-OD2 3.41Å
309	Y	98.5	Very high	97.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	11%	0.114	C	C	.	.			trans	-83.6	-45.8	-170.1	177.9	-138.1	0	0	0	113.5	L299 L302 D311 L312 N316 I327 S328 D329 L330 A333 D367	L299-Y309 HydrophobicContact CD2-CD1 4.37Å; L302-Y309 HydrophobicContact CD1-CG 4.3Å; Y309-D311 PolarHBondContact O-N 3.32Å; Y309-D311 VanDerWaalsContact O-N 3.14Å; Y309-D311 PolarHBondContact OH-O 3.44Å; Y309-L312 HydrophobicContact CD1-CB 3.83Å; Y309-L312 VanDerWaalsContact CE1-CA 3.47Å; Y309-L312 HydrophobicContact CE1-CB 3.79Å; Y309-L312 HydrophobicContact CE1-CD1 4.19Å; Y309-N316 WeakPolarHBondContact OH-CB 3.37Å; Y309-N316 PolarHBondContact OH-ND2 3.31Å; Y309-I327 HydrophobicContact CD1-CG2 3.96Å; Y309-I327 HydrophobicContact CD2-CG2 4.24Å; Y309-I327 HydrophobicContact CE1-CG2 3.43Å; Y309-I327 VanDerWaalsContact CE1-CG2 3.43Å; Y309-I327 HydrophobicContact CE2-CG2 3.77Å; Y309-I327 HydrophobicContact CG-CG2 4.35Å; Y309-S328 PolarHBondContact OH-O 2.97Å; Y309-D329 WeakPolarHBondContact CE2-O 3.31Å; Y309-L330 HydrophobicContact CD2-CG 4.37Å; Y309-L330 HydrophobicContact CE2-CG 4.25Å; Y309-A333 HydrophobicContact CD2-CB 4.36Å; Y309-A333 WeakPolarHBondContact O-CA 3.43Å; Y309-A333 PolarHBondContact O-N 2.85Å; Y309-D367 PolarHBondContact N-OD1 2.76Å; Y309-D367 PolarHBondContact N-OD2 3.04Å
310	R	98.2	Very high	97.6	Very high	39 Å²	39	27.5 Å²	27.5	15%	0.147	12%	0.122	C	C	.	.			trans	65.3	2.9	171.9	-50.9	-169.8	-65.6	-177.7	-3.9	117.8	V308 L332 I334 V346 G347 Y362 D367	V308-R310 HydrophobicContact CB-CG 4.32Å; V308-R310 HydrophobicContact CG1-CG 3.91Å; V308-R310 HydrophobicContact CG2-CG 3.67Å; R310-L332 PolarHBondContact NE-O 3.36Å; R310-L332 PolarHBondContact NH2-O 3.43Å; R310-I334 VanDerWaalsContact CZ-CG2 3.47Å; R310-V346 HydrophobicContact CB-CG2 4.45Å; R310-V346 VanDerWaalsContact CZ-CG2 3.4Å; R310-G347 WeakPolarHBondContact O-CA 3.39Å; R310-Y362 VanDerWaalsContact CD-OH 3.32Å; R310-Y362 WeakPolarHBondContact CD-OH 3.48Å; R310-Y362 HydrophobicContact CG-CE2 4.49Å; R310-Y362 PolarHBondContact NH1-OH 3.49Å; R310-D367 PolarHBondContact N-OD1 3.45Å
311	D	97.6	Very high	97.3	Very high	11 Å²	11	29 Å²	29	6%	0.059	13%	0.13	C	C	.	.			trans	-141.1	38	177.9	-157	38.7	0	0	0	113.3	Y309 K313 N316 L332 T348	Y309-D311 PolarHBondContact O-N 3.32Å; Y309-D311 VanDerWaalsContact O-N 3.14Å; Y309-D311 PolarHBondContact OH-O 3.44Å; D311-K313 VanDerWaalsContact CG-NZ 3.32Å; D311-K313 PolarHBondContact O-N 3.44Å; D311-K313 IonicContact OD1-NZ 2.71Å; D311-K313 PolarHBondContact OD1-NZ 3.45Å; D311-K313 IonicContact OD2-NZ 3.71Å; D311-K313 PolarHBondContact OD2-NZ 3.27Å; D311-N316 PolarHBondContact O-ND2 2.99Å; D311-N316 PolarHBondContact OD2-ND2 3.29Å; D311-L332 HydrophobicContact CB-CB 4.3Å; D311-L332 HydrophobicContact CB-CD1 4.03Å; D311-T348 PolarHBondContact OD1-N 3.33Å; D311-T348 PolarHBondContact OD1-OG1 2.99Å
312	L	98.6	Very high	97.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	15%	0.151	C	C	.	.			trans	-70	119.3	173.1	-179.9	63.1	0	0	0	111	I295 L299 Y309 I317 Y351 A370 L371 L374	I295-L312 HydrophobicContact CG2-CD1 3.9Å; I295-L312 HydrophobicContact CG2-CD2 3.81Å; L299-L312 HydrophobicContact CD1-CD2 4.08Å; Y309-L312 HydrophobicContact CD1-CB 3.83Å; Y309-L312 VanDerWaalsContact CE1-CA 3.47Å; Y309-L312 HydrophobicContact CE1-CB 3.79Å; Y309-L312 HydrophobicContact CE1-CD1 4.19Å; L312-I317 HydrophobicContact CD1-CD1 3.51Å; L312-I317 HydrophobicContact CD1-CG1 3.89Å; L312-Y351 WeakPolarHBondContact O-CD1 3.36Å; L312-A370 HydrophobicContact CB-CB 3.72Å; L312-A370 HydrophobicContact CD2-CB 4.18Å; L312-A370 HydrophobicContact CG-CB 4.21Å; L312-L371 HydrophobicContact CD2-CB 4.07Å; L312-L374 HydrophobicContact CD1-CD2 3.74Å; L312-L374 HydrophobicContact CG-CD2 4.01Å
313	K	97.5	Very high	97.1	Very high	27 Å²	27	33.6 Å²	33.6	12%	0.117	15%	0.151	C	C	.	.	S	Bend	trans	-163.2	164.1	-179	65.8	-168.2	-174.9	-145.8	0	110.1	D311 E315 N316 T348 Y351	D311-K313 VanDerWaalsContact CG-NZ 3.32Å; D311-K313 PolarHBondContact O-N 3.44Å; D311-K313 IonicContact OD1-NZ 2.71Å; D311-K313 PolarHBondContact OD1-NZ 3.45Å; D311-K313 IonicContact OD2-NZ 3.71Å; D311-K313 PolarHBondContact OD2-NZ 3.27Å; K313-E315 VanDerWaalsContact C-N 3.28Å; K313-E315 HydrophobicContact CG-CB 4.34Å; K313-E315 WeakPolarHBondContact CG-OE2 3.48Å; K313-E315 PolarHBondContact O-N 2.79Å; K313-N316 WeakPolarHBondContact CE-ND2 3.34Å; K313-N316 WeakPolarHBondContact CE-OD1 3.49Å; K313-N316 HydrophobicContact CG-CB 4.26Å; K313-N316 PolarHBondContact O-N 3.06Å; K313-N316 VanDerWaalsContact O-N 3.08Å; K313-T348 HydrophobicContact CD-CG2 4.08Å; K313-T348 WeakPolarHBondContact CD-OG1 3.38Å; K313-T348 PolarHBondContact NZ-OG1 2.86Å; K313-Y351 HydrophobicContact CB-CD1 4.09Å; K313-Y351 HydrophobicContact CB-CD2 4.08Å; K313-Y351 HydrophobicContact CB-CE1 4.05Å; K313-Y351 HydrophobicContact CB-CE2 4.01Å; K313-Y351 HydrophobicContact CB-CG 4.12Å
314	P	97.3	Very high	97.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-57.1	-35.8	-175.9	-23.5	31.3	0	0	0	114.4	L271 K272 I275 N316 I317 Y351 L374 E377	L271-P314 HydrophobicContact CB-CB 4.14Å; L271-P314 WeakPolarHBondContact CB-O 3.38Å; L271-P314 PolarHBondContact N-O 2.95Å; L271-P314 VanDerWaalsContact N-O 3.15Å; K272-P314 HydrophobicContact CB-CB 3.85Å; K272-P314 PolarHBondContact N-O 3.41Å; I275-P314 HydrophobicContact CD1-CB 4.05Å; I275-P314 HydrophobicContact CD1-CG 4.12Å; P314-N316 PolarHBondContact O-N 2.96Å; P314-I317 PolarHBondContact O-N 2.94Å; P314-Y351 WeakPolarHBondContact CD-OH 3.16Å; P314-L374 HydrophobicContact CB-CD1 4.11Å; P314-L374 HydrophobicContact CG-CD1 3.54Å; P314-E377 VanDerWaalsContact CG-CD 3.5Å; P314-E377 WeakPolarHBondContact CG-OE2 3.09Å
315	E	95.2	Very high	97.2	Very high	61 Å²	61	26.8 Å²	26.8	29%	0.285	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-63.1	-26.6	179.6	-65.2	91.8	155.8	0	0	113.8	K272 K313	K272-E315 HydrophobicContact CB-CG 4.23Å; K272-E315 HydrophobicContact CD-CG 3.56Å; K272-E315 WeakPolarHBondContact CD-OE1 3.48Å; K272-E315 WeakPolarHBondContact CE-OE1 3.24Å; K272-E315 IonicContact NZ-OE1 3.97Å; K272-E315 PolarHBondContact NZ-OE1 3.31Å; K313-E315 VanDerWaalsContact C-N 3.28Å; K313-E315 HydrophobicContact CG-CB 4.34Å; K313-E315 WeakPolarHBondContact CG-OE2 3.48Å; K313-E315 PolarHBondContact O-N 2.79Å
316	N	97.6	Very high	97.3	Very high	10 Å²	10	25.6 Å²	25.6	5%	0.053	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-99.5	0.5	-173.1	-68.4	-6.7	0	0	0	113	Y309 D311 K313 P314 S328	Y309-N316 WeakPolarHBondContact OH-CB 3.37Å; Y309-N316 PolarHBondContact OH-ND2 3.31Å; D311-N316 PolarHBondContact O-ND2 2.99Å; D311-N316 PolarHBondContact OD2-ND2 3.29Å; K313-N316 WeakPolarHBondContact CE-ND2 3.34Å; K313-N316 WeakPolarHBondContact CE-OD1 3.49Å; K313-N316 HydrophobicContact CG-CB 4.26Å; K313-N316 PolarHBondContact O-N 3.06Å; K313-N316 VanDerWaalsContact O-N 3.08Å; P314-N316 PolarHBondContact O-N 2.96Å; N316-S328 PolarHBondContact O-N 3.48Å; N316-S328 PolarHBondContact O-OG 3.01Å
317	I	98.6	Very high	97.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	116	173.6	-57.2	-51.7	0	0	0	108.6	D270 L271 I295 L312 P314 I325 I327 L374	D270-I317 CarbonylContact C-O 3.56Å; D270-I317 VanDerWaalsContact CA-O 3.32Å; D270-I317 WeakPolarHBondContact CA-O 3.2Å; L271-I317 HydrophobicContact CB-CB 4.38Å; L271-I317 HydrophobicContact CD1-CB 3.63Å; L271-I317 HydrophobicContact CD1-CG1 4.25Å; L271-I317 HydrophobicContact CD1-CG2 3.43Å; L271-I317 VanDerWaalsContact CD1-CG2 3.43Å; L271-I317 HydrophobicContact CG-CB 3.85Å; L271-I317 HydrophobicContact CG-CG2 3.72Å; L271-I317 PolarHBondContact N-O 3.47Å; I295-I317 HydrophobicContact CD1-CD1 4.43Å; I295-I317 HydrophobicContact CD1-CG1 4.11Å; I295-I317 HydrophobicContact CD1-CG2 4.27Å; I295-I317 HydrophobicContact CG1-CD1 4.27Å; I295-I317 HydrophobicContact CG1-CG1 4.45Å; I295-I317 HydrophobicContact CG1-CG2 4.41Å; L312-I317 HydrophobicContact CD1-CD1 3.51Å; L312-I317 HydrophobicContact CD1-CG1 3.89Å; P314-I317 PolarHBondContact O-N 2.94Å; I317-I325 HydrophobicContact CG2-CB 3.6Å; I317-I325 HydrophobicContact CG2-CD1 4.21Å; I317-I325 HydrophobicContact CG2-CG1 3.98Å; I317-I325 HydrophobicContact CG2-CG2 3.88Å; I317-I327 HydrophobicContact CD1-CB 4.23Å; I317-I327 HydrophobicContact CD1-CG1 3.71Å; I317-L374 HydrophobicContact CG1-CD2 3.91Å
318	L	98	Very high	97.3	Very high	40 Å²	40	23.5 Å²	23.5	21%	0.209	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	147.4	-172.7	-49.6	179.5	0	0	0	110.8	M266 G269 D270 I325 R326 S328	M266-L318 HydrophobicContact CB-CB 3.41Å; M266-L318 VanDerWaalsContact CB-CB 3.41Å; M266-L318 HydrophobicContact CB-CD1 3.9Å; M266-L318 HydrophobicContact CB-CG 4.3Å; M266-L318 HydrophobicContact CE-CB 4.3Å; M266-L318 WeakPolarHBondContact CE-O 3.49Å; M266-L318 HydrophobicContact CG-CB 3.73Å; M266-L318 HydrophobicContact CG-CD1 3.96Å; M266-L318 HydrophobicContact CG-CG 4.5Å; G269-L318 CarbonylContact O-C 3.39Å; G269-L318 WeakPolarHBondContact O-CA 3.43Å; D270-L318 HydrophobicContact CB-CD2 3.62Å; L318-I325 CarbonylContact O-C 3.51Å; L318-I325 WeakPolarHBondContact O-CA 3.35Å; L318-R326 PolarHBondContact N-O 3.41Å; L318-R326 PolarHBondContact O-N 2.96Å; L318-S328 WeakPolarHBondContact CG-OG 3.38Å
319	L	97.8	Very high	97.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	142.2	177.4	-74.9	77.9	0	0	0	111.8	M266 N267 G268 G269 L271 Y291 H324 I325 F465 P467	M266-L319 CarbonylContact C-O 3.58Å; M266-L319 WeakPolarHBondContact CA-O 3.35Å; M266-L319 WeakPolarHBondContact CB-O 3.29Å; M266-L319 VanDerWaalsContact CE-C 3.49Å; N267-L319 PolarHBondContact N-O 3.03Å; G268-L319 WeakPolarHBondContact CA-O 3.36Å; G268-L319 PolarHBondContact N-O 3.39Å; G269-L319 PolarHBondContact O-N 2.88Å; L271-L319 HydrophobicContact CD2-CD1 3.69Å; L271-L319 HydrophobicContact CG-CD1 4.25Å; Y291-L319 WeakPolarHBondContact OH-CD2 3.21Å; L319-H324 CarbonylContact C-O 3.53Å; L319-H324 WeakPolarHBondContact CA-O 3.49Å; L319-I325 HydrophobicContact CD1-CG2 4.13Å; L319-I325 HydrophobicContact CG-CG2 4.02Å; L319-F465 HydrophobicContact CD2-CD1 4.07Å; L319-F465 HydrophobicContact CD2-CE1 4.18Å; L319-P467 HydrophobicContact CB-CG 4.42Å; L319-P467 HydrophobicContact CD2-CG 4.24Å
320	D	95.3	Very high	97	Very high	29 Å²	29	26.1 Å²	26.1	16%	0.155	13%	0.126	C	C	.	.			trans	-87.9	-178.9	168.2	75.7	9.5	0	0	0	112	M266 H322 G323 H324 P467	M266-D320 HydrophobicContact CE-CB 3.85Å; M266-D320 HydrophobicContact SD-CB 4.19Å; D320-H322 PolarHBondContact O-N 3.11Å; D320-H322 WeakPolarHBondContact OD1-CA 3.39Å; D320-H322 PolarHBondContact OD1-N 3.31Å; D320-G323 PolarHBondContact O-N 3Å; D320-G323 PolarHBondContact OD1-N 3.23Å; D320-H324 PolarHBondContact N-O 2.85Å; D320-H324 PolarHBondContact OD1-N 2.84Å; D320-P467 WeakPolarHBondContact O-CG 3.38Å
321	D	92.8	Very high	96.7	Very high	66 Å²	66	24.7 Å²	24.7	35%	0.353	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.1	-179.2	-66	-49.1	0	0	0	113.9	R16 N267	R16-D321 IonicContact CZ-OD1 2.64Å; R16-D321 IonicContact NE-OD1 3.82Å; R16-D321 IonicContact NH2-OD1 2.86Å; R16-D321 PolarHBondContact NH2-OD1 3.42Å; N267-D321 WeakPolarHBondContact CB-OD1 3.32Å; N267-D321 PolarHBondContact ND2-OD1 2.97Å; N267-D321 PolarHBondContact ND2-OD2 3.44Å
322	H	95.1	Very high	96.6	Very high	127 Å²	127	26.1 Å²	26.1	59%	0.588	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-4.6	-179.6	-55.9	94.8	0	0	0	112.1	D320 P463	D320-H322 PolarHBondContact O-N 3.11Å; D320-H322 WeakPolarHBondContact OD1-CA 3.39Å; D320-H322 PolarHBondContact OD1-N 3.31Å; H322-P463 WeakPolarHBondContact O-CG 3.32Å
323	G	96.9	Very high	96.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	90.6	8.1	178.8	0	0	0	0	0	115.1	Y291 D320 F465	Y291-G323 WeakPolarHBondContact CE1-O 3.49Å; D320-G323 PolarHBondContact O-N 3Å; D320-G323 PolarHBondContact OD1-N 3.23Å; G323-F465 WeakPolarHBondContact CA-O 3.33Å
324	H	98.3	Very high	96.5	Very high	27 Å²	27	27.4 Å²	27.4	13%	0.125	14%	0.138	C	C	.	.			trans	-79.8	146.9	172.3	-69.6	-76.7	0	0	0	110.9	E294 L319 D320 L461 P463	E294-H324 IonicContact OE1-CE1 2.88Å; E294-H324 IonicContact OE1-CG 2.68Å; E294-H324 IonicContact OE1-ND1 3.38Å; E294-H324 PolarHBondContact OE1-ND1 2.83Å; L319-H324 CarbonylContact C-O 3.53Å; L319-H324 WeakPolarHBondContact CA-O 3.49Å; D320-H324 PolarHBondContact N-O 2.85Å; D320-H324 PolarHBondContact OD1-N 2.84Å; H324-L461 PolarHBondContact CE1-O 3.46Å; H324-L461 VanDerWaalsContact CE1-O 3.27Å; H324-P463 VanDerWaalsContact CE1-CG 3.48Å; H324-P463 WeakPolarHBondContact CE1-CG 3.47Å
325	I	98.5	Very high	96.5	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	158	178.5	68.2	69.7	0	0	0	113.3	Y291 E294 I295 I317 L318 L319	Y291-I325 HydrophobicContact CD1-CG1 4.45Å; Y291-I325 HydrophobicContact CD1-CG2 3.51Å; Y291-I325 HydrophobicContact CE1-CG2 3.78Å; Y291-I325 HydrophobicContact CG-CG2 3.95Å; E294-I325 HydrophobicContact CB-CD1 3.57Å; E294-I325 HydrophobicContact CB-CG1 3.63Å; E294-I325 WeakPolarHBondContact OE2-CG1 3.08Å; E294-I325 PolarHBondContact OE2-N 2.85Å; I295-I325 HydrophobicContact CG1-CD1 3.64Å; I295-I325 HydrophobicContact CG1-CG1 4.12Å; I317-I325 HydrophobicContact CG2-CB 3.6Å; I317-I325 HydrophobicContact CG2-CD1 4.21Å; I317-I325 HydrophobicContact CG2-CG1 3.98Å; I317-I325 HydrophobicContact CG2-CG2 3.88Å; L318-I325 CarbonylContact O-C 3.51Å; L318-I325 WeakPolarHBondContact O-CA 3.35Å; L319-I325 HydrophobicContact CD1-CG2 4.13Å; L319-I325 HydrophobicContact CG-CG2 4.02Å
326	R	98.6	Very high	96.6	Very high	42 Å²	42	30.4 Å²	30.4	16%	0.158	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	144	162	-59.4	-175.4	179.4	-124	-0.9	111.7	S243 R244 F245 V246 V247 M266 L318	S243-R326 PolarHBondContact O-NH1 2.99Å; R244-R326 WeakPolarHBondContact O-CD 3.49Å; R244-R326 WeakPolarHBondContact O-CG 3.46Å; R244-R326 PolarHBondContact O-NE 3.41Å; R244-R326 PolarHBondContact O-NH1 3.3Å; R244-R326 VanDerWaalsContact O-NH1 3.14Å; R244-R326 PolarHBondContact O-NH2 3.41Å; F245-R326 CarbonylContact O-C 3.58Å; F245-R326 WeakPolarHBondContact O-CA 3.37Å; V246-R326 PolarHBondContact O-NH1 3.16Å; V247-R326 HydrophobicContact CG1-CB 4.01Å; M266-R326 HydrophobicContact CE-CB 3.69Å; M266-R326 HydrophobicContact CE-CG 3.53Å; M266-R326 HydrophobicContact SD-CB 4.29Å; M266-R326 HydrophobicContact SD-CG 4.06Å; L318-R326 PolarHBondContact N-O 3.41Å; L318-R326 PolarHBondContact O-N 2.96Å
327	I	98.7	Very high	96.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	134.9	166.9	-58.5	172.6	0	0	0	108.9	F245 V246 V247 L299 L302 Y309 I317	F245-I327 PolarHBondContact O-N 3.49Å; V246-I327 WeakPolarHBondContact CA-O 3.3Å; V246-I327 HydrophobicContact CG2-CB 4.37Å; V247-I327 PolarHBondContact N-O 3.47Å; L299-I327 HydrophobicContact CD2-CD1 4.14Å; L299-I327 HydrophobicContact CG-CD1 4.39Å; L302-I327 HydrophobicContact CD1-CD1 4.35Å; Y309-I327 HydrophobicContact CD1-CG2 3.96Å; Y309-I327 HydrophobicContact CD2-CG2 4.24Å; Y309-I327 HydrophobicContact CE1-CG2 3.43Å; Y309-I327 VanDerWaalsContact CE1-CG2 3.43Å; Y309-I327 HydrophobicContact CE2-CG2 3.77Å; Y309-I327 HydrophobicContact CG-CG2 4.35Å; I317-I327 HydrophobicContact CD1-CB 4.23Å; I317-I327 HydrophobicContact CD1-CG1 3.71Å
328	S	96.8	Very high	96.2	Very high	13 Å²	13	36.9 Å²	36.9	9%	0.091	18%	0.184	C	C	.	.			trans	-131.4	176.1	179.9	71.8	0	0	0	0	112.2	Y309 N316 L318	Y309-S328 PolarHBondContact OH-O 2.97Å; N316-S328 PolarHBondContact O-N 3.48Å; N316-S328 PolarHBondContact O-OG 3.01Å; L318-S328 WeakPolarHBondContact CG-OG 3.38Å
329	D	93.9	Very high	96	Very high	54 Å²	54	39.2 Å²	39.2	29%	0.289	22%	0.218	S	C	.	.			trans	52.2	77.7	179.4	-160.5	13.1	0	0	0	114.8	K215 Y309 G331	K215-D329 IonicContact NZ-OD1 2.67Å; K215-D329 PolarHBondContact NZ-OD1 3.29Å; Y309-D329 WeakPolarHBondContact CE2-O 3.31Å; D329-G331 PolarHBondContact O-N 2.95Å
330	L	95.4	Very high	95.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.			trans	-89.6	20.3	-177.1	-73.5	75.8	0	0	0	112.5	E234 I237 L238 V246 L302 Y309 L332 A333	E234-L330 HydrophobicContact CG-CB 4.34Å; E234-L330 PolarHBondContact OE1-N 2.75Å; I237-L330 HydrophobicContact CG2-CB 4.36Å; I237-L330 HydrophobicContact CG2-CD2 3.42Å; I237-L330 VanDerWaalsContact CG2-CD2 3.42Å; L238-L330 HydrophobicContact CD2-CD1 3.92Å; L238-L330 HydrophobicContact CD2-CD2 4.37Å; V246-L330 HydrophobicContact CG1-CD1 4.04Å; V246-L330 HydrophobicContact CG1-CD2 4.1Å; L302-L330 HydrophobicContact CD2-CD2 4.09Å; Y309-L330 HydrophobicContact CD2-CG 4.37Å; Y309-L330 HydrophobicContact CE2-CG 4.25Å; L330-L332 PolarHBondContact O-N 3.01Å; L330-A333 HydrophobicContact CB-CB 4.04Å; L330-A333 HydrophobicContact CG-CB 4.46Å; L330-A333 WeakPolarHBondContact O-CB 3.47Å; L330-A333 PolarHBondContact O-N 3.18Å
331	G	92.1	Very high	96	Very high	9 Å²	9	46.1 Å²	46.1	9%	0.093	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.3	-177.6	0	0	0	0	0	114.4	M230 D329	M230-G331 VanDerWaalsContact CG-O 3.27Å; M230-G331 WeakPolarHBondContact CG-O 3.4Å; D329-G331 PolarHBondContact O-N 2.95Å
332	L	95.4	Very high	96.2	Very high	41 Å²	41	44 Å²	44	22%	0.215	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-4.1	177.2	-60.5	-173.8	0	0	0	113.7	M230 R310 D311 L330	M230-L332 HydrophobicContact CE-CD2 4.03Å; R310-L332 PolarHBondContact NE-O 3.36Å; R310-L332 PolarHBondContact NH2-O 3.43Å; D311-L332 HydrophobicContact CB-CB 4.3Å; D311-L332 HydrophobicContact CB-CD1 4.03Å; L330-L332 PolarHBondContact O-N 3.01Å
333	A	97.4	Very high	96.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.238	C	C	.	.			trans	-66.5	152.3	178.4	0	0	0	0	0	110.7	N233 I237 I307 V308 Y309 L330	N233-A333 PolarHBondContact ND2-O 2.98Å; I237-A333 HydrophobicContact CD1-CB 3.69Å; I237-A333 WeakPolarHBondContact CD1-O 3.28Å; I307-A333 HydrophobicContact CG2-CB 3.95Å; V308-A333 CarbonylContact O-C 3.15Å; V308-A333 VanDerWaalsContact O-CA 3.22Å; V308-A333 WeakPolarHBondContact O-CA 3.27Å; Y309-A333 HydrophobicContact CD2-CB 4.36Å; Y309-A333 WeakPolarHBondContact O-CA 3.43Å; Y309-A333 PolarHBondContact O-N 2.85Å; L330-A333 HydrophobicContact CB-CB 4.04Å; L330-A333 HydrophobicContact CG-CB 4.46Å; L330-A333 WeakPolarHBondContact O-CB 3.47Å; L330-A333 PolarHBondContact O-N 3.18Å
334	I	96.8	Very high	96.2	Very high	56 Å²	56	44.5 Å²	44.5	29%	0.287	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	146.2	176.7	-167.9	170.8	0	0	0	110.7	I307 V308 R310 I342	I307-I334 WeakPolarHBondContact CA-O 3.48Å; V308-I334 HydrophobicContact CG1-CG2 3.59Å; V308-I334 PolarHBondContact N-O 2.73Å; V308-I334 PolarHBondContact O-N 2.83Å; R310-I334 VanDerWaalsContact CZ-CG2 3.47Å; I334-I342 HydrophobicContact CG2-CD1 3.37Å
335	R	96.6	Very high	96.1	Very high	124 Å²	124	48 Å²	48	47%	0.468	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.7	170.3	-171.4	177.2	-178.9	-103.4	-7.1	110.2	R306 D338	R306-R335 HydrophobicContact CB-CG 4.35Å; R306-R335 CarbonylContact O-C 3.57Å; R306-R335 WeakPolarHBondContact O-CA 3.48Å; R335-D338 IonicContact NH2-OD2 2.76Å; R335-D338 PolarHBondContact NH2-OD2 3.46Å
336	V	97.1	Very high	96	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-88.9	117.2	171.3	-171.7	0	0	0	0	107.8	R306 V308 E340 I342 T363 F364	R306-V336 PolarHBondContact NE-O 2.95Å; R306-V336 PolarHBondContact NH2-O 2.84Å; R306-V336 VanDerWaalsContact NH2-O 3.16Å; R306-V336 PolarHBondContact O-N 3.34Å; V308-V336 HydrophobicContact CB-CG2 4.11Å; V308-V336 HydrophobicContact CG1-CG2 3.68Å; V336-E340 VanDerWaalsContact CG1-O 3.32Å; V336-E340 WeakPolarHBondContact CG1-O 3.46Å; V336-I342 HydrophobicContact CG1-CG2 4.31Å; V336-I342 HydrophobicContact CG2-CD1 4.33Å; V336-I342 HydrophobicContact CG2-CG2 4.48Å; V336-T363 HydrophobicContact CG1-CG2 4.28Å; V336-F364 HydrophobicContact CB-CE1 4.43Å; V336-F364 HydrophobicContact CG2-CE1 4Å
337	P	95.9	Very high	95.8	Very high	41 Å²	41	49.4 Å²	49.4	27%	0.266	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-59.7	155.6	177.8	-19.2	30.6	0	0	0	112.1	R306 G339 E340	R306-P337 PolarHBondContact NH2-O 3.16Å; P337-G339 PolarHBondContact O-N 2.92Å; P337-E340 HydrophobicContact CB-CB 3.98Å; P337-E340 HydrophobicContact CB-CG 4.1Å; P337-E340 HydrophobicContact CG-CB 4.38Å; P337-E340 PolarHBondContact O-N 3.01Å
338	D	93.3	Very high	95.6	Very high	104 Å²	104	51.5 Å²	51.5	56%	0.556	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	131.6	-174.7	-60.8	-47.7	0	0	0	111.2	R306 R335 E340	R306-D338 WeakPolarHBondContact CD-OD1 3.21Å; R306-D338 WeakPolarHBondContact CG-OD1 3.45Å; R306-D338 IonicContact NE-OD1 2.85Å; R306-D338 PolarHBondContact NE-OD1 3.07Å; R306-D338 VanDerWaalsContact NE-OD1 3.07Å; R335-D338 IonicContact NH2-OD2 2.76Å; R335-D338 PolarHBondContact NH2-OD2 3.46Å; D338-E340 PolarHBondContact O-N 3.27Å; D338-E340 VanDerWaalsContact O-N 3.17Å
339	G	92.6	Very high	95.4	Very high	90 Å²	90	52.7 Å²	52.7	93%	0.928	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	-0.8	-174.2	0	0	0	0	0	115.2	P337	P337-G339 PolarHBondContact O-N 2.92Å
340	E	96.2	Very high	95.3	Very high	117 Å²	117	50.3 Å²	50.3	55%	0.547	29%	0.285	S	S	.	.			trans	-105.7	165.4	-177.5	-65.5	-173.3	-135.4	0	0	113.5	V336 P337 D338	V336-E340 VanDerWaalsContact CG1-O 3.32Å; V336-E340 WeakPolarHBondContact CG1-O 3.46Å; P337-E340 HydrophobicContact CB-CB 3.98Å; P337-E340 HydrophobicContact CB-CG 4.1Å; P337-E340 HydrophobicContact CG-CB 4.38Å; P337-E340 PolarHBondContact O-N 3.01Å; D338-E340 PolarHBondContact O-N 3.27Å; D338-E340 VanDerWaalsContact O-N 3.17Å
341	T	97.1	Very high	95.4	Very high	56 Å²	56	51.5 Å²	51.5	34%	0.344	29%	0.289	S	S	.	.			trans	-121	148.8	171.7	54.4	0	0	0	0	109.7	R361 T363	T341-R361 PolarHBondContact O-NH1 3.04Å; T341-R361 PolarHBondContact OG1-NH1 3.34Å; T341-T363 HydrophobicContact CG2-CG2 3.76Å
342	I	97.3	Very high	95.7	Very high	23 Å²	23	51.5 Å²	51.5	12%	0.118	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	162.9	175.7	62.6	167.3	0	0	0	110.7	V308 I334 V336 R361 Y362	V308-I342 HydrophobicContact CG1-CD1 3.65Å; I334-I342 HydrophobicContact CG2-CD1 3.37Å; V336-I342 HydrophobicContact CG1-CG2 4.31Å; V336-I342 HydrophobicContact CG2-CD1 4.33Å; V336-I342 HydrophobicContact CG2-CG2 4.48Å; I342-R361 CarbonylContact O-C 3.5Å; I342-R361 VanDerWaalsContact O-CA 3.28Å; I342-R361 WeakPolarHBondContact O-CA 3.49Å; I342-Y362 HydrophobicContact CD1-CD2 4.29Å; I342-Y362 HydrophobicContact CD1-CE2 3.61Å; I342-Y362 HydrophobicContact CG1-CD2 3.98Å; I342-Y362 HydrophobicContact CG1-CE2 3.71Å; I342-Y362 WeakPolarHBondContact CG1-O 3.48Å; I342-Y362 PolarHBondContact N-O 3.44Å; I342-Y362 PolarHBondContact O-N 2.94Å
343	K	96.4	Very high	95.8	Very high	119 Å²	119	49.6 Å²	49.6	52%	0.517	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.3	172.2	179.4	168.7	171.8	146.3	0	108.9	N359 R361	K343-N359 VanDerWaalsContact CE-CG 3.42Å; K343-N359 VanDerWaalsContact CE-ND2 3.27Å; K343-N359 WeakPolarHBondContact CE-ND2 3.47Å; K343-N359 WeakPolarHBondContact CE-O 3.41Å; K343-N359 WeakPolarHBondContact CE-OD1 3.28Å; K343-N359 PolarHBondContact NZ-O 3.48Å; K343-R361 HydrophobicContact CB-CG 4.17Å
344	G	95.1	Very high	95.9	Very high	17 Å²	17	49.7 Å²	49.7	18%	0.175	28%	0.278	C	S	.	.			trans	175.9	126.2	177.6	0	0	0	0	0	112.2	V346 Y362	G344-V346 PolarHBondContact O-N 3.32Å; G344-Y362 WeakPolarHBondContact O-CE1 2.95Å; G344-Y362 PolarHBondContact O-OH 3.26Å
345	R	96.9	Very high	96	Very high	101 Å²	101	47.1 Å²	47.1	38%	0.381	26%	0.264	S	S	.	.			trans	-90.2	78.5	178	-171.2	177.3	-164.6	-110.6	1	110.3	V357 R394 E398	R345-V357 PolarHBondContact NE-O 3.3Å; R345-R394 VanDerWaalsContact NH1-NH2 3.19Å; R345-E398 IonicContact CZ-OE1 3.72Å; R345-E398 IonicContact CZ-OE2 2.76Å; R345-E398 IonicContact NH1-OE1 3.07Å; R345-E398 IonicContact NH2-OE1 3.85Å; R345-E398 PolarHBondContact NH2-OE1 3.33Å; R345-E398 IonicContact NH2-OE2 3.19Å; R345-E398 PolarHBondContact NH2-OE2 2.85Å
346	V	95.5	Very high	96	Very high	48 Å²	48	41.4 Å²	41.4	29%	0.291	24%	0.243	S	C	.	.			trans	-130.5	156.3	-178.8	-60	0	0	0	0	110.5	R310 G344	R310-V346 HydrophobicContact CB-CG2 4.45Å; R310-V346 VanDerWaalsContact CZ-CG2 3.4Å; G344-V346 PolarHBondContact O-N 3.32Å
347	G	95.4	Very high	96.1	Very high	25 Å²	25	42 Å²	42	26%	0.258	25%	0.247	S	C	.	.	S	Bend	trans	125.3	-179.3	-178.9	0	0	0	0	0	112.1	R310	R310-G347 WeakPolarHBondContact O-CA 3.39Å
348	T	94.6	Very high	96.1	Very high	43 Å²	43	44.3 Å²	44.3	26%	0.264	26%	0.255	S	S	.	.			trans	-89.7	133.8	-179.2	-59.5	0	0	0	0	111.1	D311 K313 G350 Y351 M352	D311-T348 PolarHBondContact OD1-N 3.33Å; D311-T348 PolarHBondContact OD1-OG1 2.99Å; K313-T348 HydrophobicContact CD-CG2 4.08Å; K313-T348 WeakPolarHBondContact CD-OG1 3.38Å; K313-T348 PolarHBondContact NZ-OG1 2.86Å; T348-G350 PolarHBondContact O-N 3.27Å; T348-Y351 HydrophobicContact CG2-CD2 3.94Å; T348-Y351 HydrophobicContact CG2-CE2 4.35Å; T348-Y351 PolarHBondContact O-N 2.92Å; T348-M352 PolarHBondContact O-N 3Å; T348-M352 VanDerWaalsContact O-N 3.08Å
349	V	92.7	Very high	96.3	Very high	38 Å²	38	42.3 Å²	42.3	23%	0.23	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	134.3	177.2	178.2	0	0	0	0	109.7	Y351 M352 R394 V397	V349-Y351 VanDerWaalsContact C-N 3.32Å; V349-M352 HydrophobicContact CG2-CE 4.06Å; V349-R394 HydrophobicContact CG1-CG 4.26Å; V349-R394 HydrophobicContact CG2-CG 3.89Å; V349-V397 HydrophobicContact CG1-CB 3.88Å; V349-V397 HydrophobicContact CG1-CG1 3.8Å; V349-V397 HydrophobicContact CG1-CG2 4.45Å
350	G	92.2	Very high	96.6	Very high	4 Å²	4	42.2 Å²	42.2	4%	0.041	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	-23.5	-173.7	0	0	0	0	0	114.6	T348	T348-G350 PolarHBondContact O-N 3.27Å
351	Y	97.2	Very high	96.7	Very high	25 Å²	25	44.4 Å²	44.4	10%	0.098	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-16.8	176.1	-57.9	-91.4	0	0	0	112.9	L312 K313 P314 T348 V349 A353 W369 C373 E377	L312-Y351 WeakPolarHBondContact O-CD1 3.36Å; K313-Y351 HydrophobicContact CB-CD1 4.09Å; K313-Y351 HydrophobicContact CB-CD2 4.08Å; K313-Y351 HydrophobicContact CB-CE1 4.05Å; K313-Y351 HydrophobicContact CB-CE2 4.01Å; K313-Y351 HydrophobicContact CB-CG 4.12Å; P314-Y351 WeakPolarHBondContact CD-OH 3.16Å; T348-Y351 HydrophobicContact CG2-CD2 3.94Å; T348-Y351 HydrophobicContact CG2-CE2 4.35Å; T348-Y351 PolarHBondContact O-N 2.92Å; V349-Y351 VanDerWaalsContact C-N 3.32Å; Y351-A353 PolarHBondContact O-N 2.67Å; Y351-W369 VanDerWaalsContact O-CD1 3.23Å; Y351-C373 HydrophobicContact CD1-CB 3.82Å; Y351-C373 HydrophobicContact CE1-CB 4.23Å; Y351-E377 WeakPolarHBondContact CE1-OE2 3.42Å; Y351-E377 VanDerWaalsContact CZ-OE2 3.31Å; Y351-E377 PolarHBondContact OH-OE1 3.02Å; Y351-E377 PolarHBondContact OH-OE2 3.48Å
352	M	98	Very high	96.7	Very high	10 Å²	10	42 Å²	42	5%	0.049	21%	0.208	C	C	.	.	S	Bend	trans	-62.9	126.5	171.7	-71.3	-174.5	-66.5	0	0	110.5	T348 V349 V356 V357	T348-M352 PolarHBondContact O-N 3Å; T348-M352 VanDerWaalsContact O-N 3.08Å; V349-M352 HydrophobicContact CG2-CE 4.06Å; M352-V356 HydrophobicContact CB-CB 4.38Å; M352-V356 HydrophobicContact CB-CG1 4.25Å; M352-V356 HydrophobicContact CG-CG1 4.18Å; M352-V356 HydrophobicContact SD-CG1 4.14Å; M352-V357 HydrophobicContact CB-CG2 3.92Å
353	A	98.4	Very high	96.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.			trans	-65.3	157.4	175.9	0	0	0	0	0	112.5	Y351 E355 V356 V357 P366 W369	Y351-A353 PolarHBondContact O-N 2.67Å; A353-E355 VanDerWaalsContact C-N 3.32Å; A353-E355 WeakPolarHBondContact CB-OE2 3.45Å; A353-E355 PolarHBondContact O-N 3.18Å; A353-V356 HydrophobicContact CB-CG2 4.3Å; A353-V356 WeakPolarHBondContact O-CA 3.35Å; A353-V356 WeakPolarHBondContact O-CB 3.32Å; A353-V356 PolarHBondContact O-N 3.33Å; A353-V357 PolarHBondContact O-N 2.72Å; A353-P366 HydrophobicContact CB-CB 4.11Å; A353-W369 VanDerWaalsContact CA-CD1 3.46Å; A353-W369 HydrophobicContact CB-CB 3.66Å; A353-W369 HydrophobicContact CB-CD2 4.1Å; A353-W369 HydrophobicContact CB-CG 3.52Å
354	P	98.4	Very high	96.8	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.013	20%	0.199	C	C	.	.	H	α-helix	trans	-52	-45.9	-179.7	-29.3	37.2	0	0	0	113.6	V356 V357 M358 W369 V401 K426	P354-V356 PolarHBondContact O-N 2.67Å; P354-V357 PolarHBondContact O-N 2.79Å; P354-V357 VanDerWaalsContact O-N 3.14Å; P354-M358 HydrophobicContact CB-CE 4.07Å; P354-M358 WeakPolarHBondContact O-CB 3.46Å; P354-M358 VanDerWaalsContact O-CG 3.28Å; P354-M358 WeakPolarHBondContact O-CG 3.45Å; P354-M358 PolarHBondContact O-N 2.87Å; P354-W369 HydrophobicContact CG-CE3 4.31Å; P354-W369 HydrophobicContact CG-CH2 3.89Å; P354-W369 HydrophobicContact CG-CZ2 4.32Å; P354-W369 HydrophobicContact CG-CZ3 3.86Å; P354-V401 HydrophobicContact CG-CG1 4.01Å; P354-K426 HydrophobicContact CG-CB 4.09Å; P354-K426 HydrophobicContact CG-CG 4.37Å
355	E	98.4	Very high	97	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.009	19%	0.193	C	C	.	.	H	α-helix	trans	-63.1	-29.7	179.4	67.3	-88.6	-155.6	0	0	112.6	A353 N359 E360 S365 R431	A353-E355 VanDerWaalsContact C-N 3.32Å; A353-E355 WeakPolarHBondContact CB-OE2 3.45Å; A353-E355 PolarHBondContact O-N 3.18Å; E355-N359 PolarHBondContact O-N 2.94Å; E355-N359 VanDerWaalsContact O-N 3.16Å; E355-E360 HydrophobicContact CB-CB 4.14Å; E355-E360 WeakPolarHBondContact CB-OE2 3.31Å; E355-E360 WeakPolarHBondContact O-CB 3.44Å; E355-E360 PolarHBondContact O-N 3.14Å; E355-S365 WeakPolarHBondContact OE1-CB 2.97Å; E355-S365 PolarHBondContact OE1-OG 2.85Å; E355-R431 IonicContact OE1-CZ 2.82Å; E355-R431 IonicContact OE1-NH1 2.62Å; E355-R431 PolarHBondContact OE1-NH1 3Å; E355-R431 IonicContact OE1-NH2 3.2Å; E355-R431 IonicContact OE2-CZ 2.72Å; E355-R431 IonicContact OE2-NH1 2.77Å; E355-R431 PolarHBondContact OE2-NH1 3.49Å; E355-R431 IonicContact OE2-NH2 3.83Å; E355-R431 PolarHBondContact OE2-NH2 2.8Å
356	V	98.3	Very high	97.1	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.024	18%	0.177	C	C	.	.	H	α-helix	trans	-73.4	-44.3	174.3	-179.3	0	0	0	0	110.4	M352 A353 P354 M358 N359 Y362 P366	M352-V356 HydrophobicContact CB-CB 4.38Å; M352-V356 HydrophobicContact CB-CG1 4.25Å; M352-V356 HydrophobicContact CG-CG1 4.18Å; M352-V356 HydrophobicContact SD-CG1 4.14Å; A353-V356 HydrophobicContact CB-CG2 4.3Å; A353-V356 WeakPolarHBondContact O-CA 3.35Å; A353-V356 WeakPolarHBondContact O-CB 3.32Å; A353-V356 PolarHBondContact O-N 3.33Å; P354-V356 PolarHBondContact O-N 2.67Å; V356-M358 VanDerWaalsContact C-N 3.3Å; V356-M358 PolarHBondContact O-N 2.93Å; V356-N359 PolarHBondContact O-N 3.46Å; V356-Y362 HydrophobicContact CG2-CD1 4.12Å; V356-Y362 HydrophobicContact CG2-CE1 3.88Å; V356-P366 HydrophobicContact CG2-CB 3.8Å; V356-P366 HydrophobicContact CG2-CG 3.57Å
357	V	97.6	Very high	97.2	Very high	12 Å²	12	32 Å²	32	7%	0.073	16%	0.164	C	C	.	.	H	α-helix	trans	-61.6	-40.6	177.5	175.2	0	0	0	0	110.9	R345 M352 A353 P354 N359 E398 V401 K402	R345-V357 PolarHBondContact NE-O 3.3Å; M352-V357 HydrophobicContact CB-CG2 3.92Å; A353-V357 PolarHBondContact O-N 2.72Å; P354-V357 PolarHBondContact O-N 2.79Å; P354-V357 VanDerWaalsContact O-N 3.14Å; V357-N359 PolarHBondContact O-N 3.49Å; V357-E398 HydrophobicContact CG1-CB 3.84Å; V357-E398 HydrophobicContact CG1-CG 4.01Å; V357-E398 HydrophobicContact CG2-CG 4.48Å; V357-V401 HydrophobicContact CG2-CG1 4.36Å; V357-K402 HydrophobicContact CG1-CD 4.14Å; V357-K402 HydrophobicContact CG1-CG 4.35Å
358	M	97	Very high	97.4	Very high	91 Å²	91	30.9 Å²	30.9	45%	0.448	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-3.2	176.8	-64.4	-174.2	-61.6	0	0	113.4	P354 V356 E360 K402	P354-M358 HydrophobicContact CB-CE 4.07Å; P354-M358 WeakPolarHBondContact O-CB 3.46Å; P354-M358 VanDerWaalsContact O-CG 3.28Å; P354-M358 WeakPolarHBondContact O-CG 3.45Å; P354-M358 PolarHBondContact O-N 2.87Å; V356-M358 VanDerWaalsContact C-N 3.3Å; V356-M358 PolarHBondContact O-N 2.93Å; M358-E360 VanDerWaalsContact C-N 3.27Å; M358-E360 HydrophobicContact CB-CG 3.97Å; M358-E360 PolarHBondContact O-N 3.44Å; M358-K402 HydrophobicContact CG-CD 3.99Å; M358-K402 HydrophobicContact CG-CG 4.43Å; M358-K402 HydrophobicContact SD-CD 4.47Å
359	N	97.4	Very high	97.6	Very high	62 Å²	62	28.9 Å²	28.9	33%	0.332	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	39.5	179.1	-164.7	33.5	0	0	0	112.6	K343 E355 V356 V357	K343-N359 VanDerWaalsContact CE-CG 3.42Å; K343-N359 VanDerWaalsContact CE-ND2 3.27Å; K343-N359 WeakPolarHBondContact CE-ND2 3.47Å; K343-N359 WeakPolarHBondContact CE-O 3.41Å; K343-N359 WeakPolarHBondContact CE-OD1 3.28Å; K343-N359 PolarHBondContact NZ-O 3.48Å; E355-N359 PolarHBondContact O-N 2.94Å; E355-N359 VanDerWaalsContact O-N 3.16Å; V356-N359 PolarHBondContact O-N 3.46Å; V357-N359 PolarHBondContact O-N 3.49Å
360	E	98.1	Very high	97.9	Very high	87 Å²	87	27.2 Å²	27.2	41%	0.407	13%	0.13	S	C	.	.			trans	-83.5	173	174.2	-64.3	177.9	167.9	0	0	110.9	E355 M358 Y362	E355-E360 HydrophobicContact CB-CB 4.14Å; E355-E360 WeakPolarHBondContact CB-OE2 3.31Å; E355-E360 WeakPolarHBondContact O-CB 3.44Å; E355-E360 PolarHBondContact O-N 3.14Å; M358-E360 VanDerWaalsContact C-N 3.27Å; M358-E360 HydrophobicContact CB-CG 3.97Å; M358-E360 PolarHBondContact O-N 3.44Å; E360-Y362 WeakPolarHBondContact O-CD1 3.35Å
361	R	98.1	Very high	98.2	Very high	164 Å²	164	27.1 Å²	27.1	62%	0.619	13%	0.128	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	140.6	174.1	-77.7	176.6	171.9	-84.7	2.3	109.7	T341 I342 K343	T341-R361 PolarHBondContact O-NH1 3.04Å; T341-R361 PolarHBondContact OG1-NH1 3.34Å; I342-R361 CarbonylContact O-C 3.5Å; I342-R361 VanDerWaalsContact O-CA 3.28Å; I342-R361 WeakPolarHBondContact O-CA 3.49Å; K343-R361 HydrophobicContact CB-CG 4.17Å
362	Y	98.1	Very high	98.3	Very high	6 Å²	6	25.9 Å²	25.9	2%	0.024	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	167.3	-178.4	57.9	-96.3	0	0	0	111.9	R310 I342 G344 V356 E360 P366	R310-Y362 VanDerWaalsContact CD-OH 3.32Å; R310-Y362 WeakPolarHBondContact CD-OH 3.48Å; R310-Y362 HydrophobicContact CG-CE2 4.49Å; R310-Y362 PolarHBondContact NH1-OH 3.49Å; I342-Y362 HydrophobicContact CD1-CD2 4.29Å; I342-Y362 HydrophobicContact CD1-CE2 3.61Å; I342-Y362 HydrophobicContact CG1-CD2 3.98Å; I342-Y362 HydrophobicContact CG1-CE2 3.71Å; I342-Y362 WeakPolarHBondContact CG1-O 3.48Å; I342-Y362 PolarHBondContact N-O 3.44Å; I342-Y362 PolarHBondContact O-N 2.94Å; G344-Y362 WeakPolarHBondContact O-CE1 2.95Å; G344-Y362 PolarHBondContact O-OH 3.26Å; V356-Y362 HydrophobicContact CG2-CD1 4.12Å; V356-Y362 HydrophobicContact CG2-CE1 3.88Å; E360-Y362 WeakPolarHBondContact O-CD1 3.35Å; Y362-P366 HydrophobicContact CD1-CG 4.48Å; Y362-P366 HydrophobicContact CD2-CG 3.52Å; Y362-P366 HydrophobicContact CE2-CG 3.95Å; Y362-P366 HydrophobicContact CG-CG 3.82Å
363	T	97.6	Very high	98.3	Very high	49 Å²	49	25.4 Å²	25.4	30%	0.301	12%	0.121	S	C	.	.	S	Bend	trans	-115	-92.3	170.3	55.1	0	0	0	0	109.4	V308 V336 T341	V308-T363 WeakPolarHBondContact CB-O 3.47Å; V308-T363 VanDerWaalsContact CG2-O 3.27Å; V308-T363 WeakPolarHBondContact CG2-O 3.36Å; V336-T363 HydrophobicContact CG1-CG2 4.28Å; T341-T363 HydrophobicContact CG2-CG2 3.76Å
364	F	98.3	Very high	98.3	Very high	31 Å²	31	25.4 Å²	25.4	14%	0.136	12%	0.121	C	C	.	.	S	Bend	trans	-114.1	-9.6	-174.1	-53.6	-59.5	0	0	0	114.1	H303 V308 V336 P366 D367	H303-F364 HydrophobicContact CB-CD1 4.32Å; H303-F364 HydrophobicContact CB-CE1 4.37Å; H303-F364 HydrophobicContact CB-CG 4.41Å; H303-F364 HydrophobicContact CB-CZ 4.45Å; H303-F364 AromaticContact CD2-CD1 3.57Å; H303-F364 AromaticContact CG-CD1 3.82Å; H303-F364 AromaticContact CG-CG 3.89Å; H303-F364 AromaticContact NE2-CD1 3.98Å; V308-F364 HydrophobicContact CB-CD1 3.89Å; V308-F364 HydrophobicContact CB-CE1 4.36Å; V308-F364 HydrophobicContact CG2-CD1 4.42Å; V336-F364 HydrophobicContact CB-CE1 4.43Å; V336-F364 HydrophobicContact CG2-CE1 4Å; F364-P366 WeakPolarHBondContact O-CD 3.22Å; F364-P366 VanDerWaalsContact O-N 3.1Å; F364-D367 PolarHBondContact O-N 3.22Å
365	S	98.6	Very high	98.3	Very high	9 Å²	9	25.4 Å²	25.4	6%	0.063	12%	0.121	C	C	.	.	H	α-helix	trans	-51.6	-31	-179.1	61.1	0	0	0	0	115	E355 D367 W368 W369 R431 S434	E355-S365 WeakPolarHBondContact OE1-CB 2.97Å; E355-S365 PolarHBondContact OE1-OG 2.85Å; S365-D367 VanDerWaalsContact C-N 3.3Å; S365-D367 PolarHBondContact O-N 3.33Å; S365-W368 PolarHBondContact O-N 3.09Å; S365-W369 PolarHBondContact O-N 3.1Å; S365-R431 PolarHBondContact O-NH1 3Å; S365-S434 WeakPolarHBondContact CB-OG 3.32Å
366	P	98.8	Very high	98.4	Very high	7 Å²	7	25.8 Å²	25.8	5%	0.045	12%	0.122	C	C	.	.	H	α-helix	trans	-66	-29.5	177.2	-23.6	37.1	0	0	0	114.3	A353 V356 Y362 F364 A370	A353-P366 HydrophobicContact CB-CB 4.11Å; V356-P366 HydrophobicContact CG2-CB 3.8Å; V356-P366 HydrophobicContact CG2-CG 3.57Å; Y362-P366 HydrophobicContact CD1-CG 4.48Å; Y362-P366 HydrophobicContact CD2-CG 3.52Å; Y362-P366 HydrophobicContact CE2-CG 3.95Å; Y362-P366 HydrophobicContact CG-CG 3.82Å; F364-P366 WeakPolarHBondContact O-CD 3.22Å; F364-P366 VanDerWaalsContact O-N 3.1Å; P366-A370 WeakPolarHBondContact O-CB 3.27Å; P366-A370 PolarHBondContact O-N 2.93Å
367	D	98.8	Very high	98.3	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-71.8	-38	-179.4	-69.6	-15.7	0	0	0	111	L299 H303 V308 Y309 R310 F364 S365 A370 L371	L299-D367 HydrophobicContact CD1-CB 4.11Å; L299-D367 HydrophobicContact CD2-CB 3.85Å; H303-D367 IonicContact CD2-OD2 2.93Å; H303-D367 IonicContact CE1-OD2 2.72Å; H303-D367 IonicContact NE2-OD2 2.83Å; H303-D367 PolarHBondContact NE2-OD2 2.76Å; V308-D367 WeakPolarHBondContact CG2-OD2 3.41Å; Y309-D367 PolarHBondContact N-OD1 2.76Å; Y309-D367 PolarHBondContact N-OD2 3.04Å; R310-D367 PolarHBondContact N-OD1 3.45Å; F364-D367 PolarHBondContact O-N 3.22Å; S365-D367 VanDerWaalsContact C-N 3.3Å; S365-D367 PolarHBondContact O-N 3.33Å; D367-A370 PolarHBondContact O-N 3.38Å; D367-L371 PolarHBondContact O-N 3.26Å
368	W	98.9	Very high	98.4	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-67.7	-37.3	175.3	-60.8	127.9	0	0	0	112.8	L299 H303 S365 L371 G372 L423 G433 A439 V442	L299-W368 HydrophobicContact CB-CH2 4.02Å; L299-W368 HydrophobicContact CB-CZ3 4.13Å; L299-W368 HydrophobicContact CD1-CE3 3.96Å; L299-W368 HydrophobicContact CD1-CH2 4.46Å; L299-W368 HydrophobicContact CD1-CZ3 3.79Å; H303-W368 AromaticContact CE1-CE2 3.77Å; H303-W368 AromaticContact CE1-CZ2 3.74Å; H303-W368 AromaticContact CE1-NE1 3.9Å; H303-W368 AromaticContact ND1-CE2 3.92Å; H303-W368 AromaticContact ND1-CZ2 3.58Å; S365-W368 PolarHBondContact O-N 3.09Å; W368-L371 HydrophobicContact CE3-CD2 3.86Å; W368-L371 HydrophobicContact CZ3-CD2 3.94Å; W368-L371 WeakPolarHBondContact O-CB 3.18Å; W368-L371 PolarHBondContact O-N 3.4Å; W368-G372 PolarHBondContact O-N 3.04Å; W368-G372 VanDerWaalsContact O-N 3.12Å; W368-L423 HydrophobicContact CB-CD2 4.17Å; W368-G433 VanDerWaalsContact CD1-O 3.32Å; W368-G433 PolarHBondContact NE1-O 3.05Å; W368-A439 HydrophobicContact CH2-CB 3.8Å; W368-A439 HydrophobicContact CZ2-CB 4.11Å; W368-V442 HydrophobicContact CD2-CG2 4.25Å; W368-V442 HydrophobicContact CE3-CG2 3.88Å; W368-V442 HydrophobicContact CH2-CG2 4.36Å; W368-V442 HydrophobicContact CZ3-CG2 3.95Å
369	W	98.8	Very high	98.5	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.3	-48.6	170.4	170.6	-86.5	0	0	0	111.3	Y351 A353 P354 S365 L371 G372 C373 F385 V401 L424 K426	Y351-W369 VanDerWaalsContact O-CD1 3.23Å; A353-W369 VanDerWaalsContact CA-CD1 3.46Å; A353-W369 HydrophobicContact CB-CB 3.66Å; A353-W369 HydrophobicContact CB-CD2 4.1Å; A353-W369 HydrophobicContact CB-CG 3.52Å; P354-W369 HydrophobicContact CG-CE3 4.31Å; P354-W369 HydrophobicContact CG-CH2 3.89Å; P354-W369 HydrophobicContact CG-CZ2 4.32Å; P354-W369 HydrophobicContact CG-CZ3 3.86Å; S365-W369 PolarHBondContact O-N 3.1Å; W369-L371 VanDerWaalsContact C-N 3.28Å; W369-L371 PolarHBondContact O-N 2.61Å; W369-G372 WeakPolarHBondContact O-CA 3.18Å; W369-G372 PolarHBondContact O-N 2.91Å; W369-C373 PolarHBondContact NE1-SG 3.48Å; W369-C373 VanDerWaalsContact NE1-SG 3.39Å; W369-C373 PolarHBondContact O-N 3.27Å; W369-F385 AromaticContact CH2-CE2 3.96Å; W369-F385 HydrophobicContact CH2-CE2 3.96Å; W369-F385 AromaticContact CH2-CZ 3.87Å; W369-F385 HydrophobicContact CH2-CZ 3.87Å; W369-F385 HydrophobicContact CZ2-CD2 4.35Å; W369-F385 AromaticContact CZ2-CE2 3.43Å; W369-F385 HydrophobicContact CZ2-CE2 3.43Å; W369-F385 VanDerWaalsContact CZ2-CE2 3.43Å; W369-F385 AromaticContact CZ2-CZ 3.83Å; W369-F385 HydrophobicContact CZ2-CZ 3.83Å; W369-V401 HydrophobicContact CH2-CG1 4.47Å; W369-V401 HydrophobicContact CZ2-CG1 3.89Å; W369-L424 HydrophobicContact CD2-CD2 3.93Å; W369-L424 HydrophobicContact CE3-CB 4.49Å; W369-L424 HydrophobicContact CE3-CD2 4.01Å; W369-L424 HydrophobicContact CH2-CD2 4.11Å; W369-L424 HydrophobicContact CZ2-CD2 4.03Å; W369-L424 HydrophobicContact CZ3-CB 4.15Å; W369-L424 HydrophobicContact CZ3-CD2 4.12Å; W369-L424 WeakPolarHBondContact CZ3-O 3.18Å; W369-K426 HydrophobicContact CH2-CG 4.47Å; W369-K426 HydrophobicContact CZ3-CG 4.32Å
370	A	98.8	Very high	98.4	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.033	9%	0.088	C	C	.	.	H	α-helix	trans	-65.8	-30.8	-179.2	0	0	0	0	0	112.5	L312 P366 D367 G372 C373 L374	L312-A370 HydrophobicContact CB-CB 3.72Å; L312-A370 HydrophobicContact CD2-CB 4.18Å; L312-A370 HydrophobicContact CG-CB 4.21Å; P366-A370 WeakPolarHBondContact O-CB 3.27Å; P366-A370 PolarHBondContact O-N 2.93Å; D367-A370 PolarHBondContact O-N 3.38Å; A370-G372 VanDerWaalsContact C-N 3.34Å; A370-C373 PolarHBondContact O-N 3.44Å; A370-L374 WeakPolarHBondContact O-CB 3.29Å; A370-L374 PolarHBondContact O-N 3.47Å
371	L	98.9	Very high	98.4	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-61.9	-41.9	169.3	178.7	62.1	0	0	0	111.2	A292 I295 C296 L299 L312 D367 W368 W369 L374 L375 L423 V442	A292-L371 HydrophobicContact CB-CD1 4.29Å; I295-L371 HydrophobicContact CB-CD1 4.13Å; I295-L371 HydrophobicContact CG2-CD1 3.83Å; C296-L371 HydrophobicContact CB-CD2 4.37Å; L299-L371 HydrophobicContact CD1-CB 4.31Å; L312-L371 HydrophobicContact CD2-CB 4.07Å; D367-L371 PolarHBondContact O-N 3.26Å; W368-L371 HydrophobicContact CE3-CD2 3.86Å; W368-L371 HydrophobicContact CZ3-CD2 3.94Å; W368-L371 WeakPolarHBondContact O-CB 3.18Å; W368-L371 PolarHBondContact O-N 3.4Å; W369-L371 VanDerWaalsContact C-N 3.28Å; W369-L371 PolarHBondContact O-N 2.61Å; L371-L374 PolarHBondContact O-N 3.3Å; L371-L375 WeakPolarHBondContact O-CB 3.33Å; L371-L375 PolarHBondContact O-N 2.92Å; L371-L423 HydrophobicContact CD2-CD1 4.26Å; L371-L423 HydrophobicContact CG-CD1 4.11Å; L371-V442 HydrophobicContact CD2-CG1 4.22Å
372	G	98.8	Very high	98.2	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-60.7	-46.5	173.1	0	0	0	0	0	112.5	W368 W369 A370 L374 Y376	W368-G372 PolarHBondContact O-N 3.04Å; W368-G372 VanDerWaalsContact O-N 3.12Å; W369-G372 WeakPolarHBondContact O-CA 3.18Å; W369-G372 PolarHBondContact O-N 2.91Å; A370-G372 VanDerWaalsContact C-N 3.34Å; G372-L374 VanDerWaalsContact C-N 3.32Å; G372-L374 PolarHBondContact O-N 3.3Å; G372-Y376 WeakPolarHBondContact O-CB 3.2Å; G372-Y376 PolarHBondContact O-N 2.89Å
373	C	98.7	Very high	98	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-58.8	-44.3	175.3	-71.9	0	0	0	0	111.9	Y351 W369 A370 E377 P384	Y351-C373 HydrophobicContact CD1-CB 3.82Å; Y351-C373 HydrophobicContact CE1-CB 4.23Å; W369-C373 PolarHBondContact NE1-SG 3.48Å; W369-C373 VanDerWaalsContact NE1-SG 3.39Å; W369-C373 PolarHBondContact O-N 3.27Å; A370-C373 PolarHBondContact O-N 3.44Å; C373-E377 WeakPolarHBondContact O-CB 3.48Å; C373-E377 PolarHBondContact O-N 3.41Å; C373-P384 HydrophobicContact CB-CG 4.34Å
374	L	98.6	Very high	97.9	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-71.6	-41.6	-176.8	-175.8	56.2	0	0	0	112.2	I295 L312 P314 I317 A370 L371 G372 E377 M378	I295-L374 HydrophobicContact CD1-CD2 3.61Å; L312-L374 HydrophobicContact CD1-CD2 3.74Å; L312-L374 HydrophobicContact CG-CD2 4.01Å; P314-L374 HydrophobicContact CB-CD1 4.11Å; P314-L374 HydrophobicContact CG-CD1 3.54Å; I317-L374 HydrophobicContact CG1-CD2 3.91Å; A370-L374 WeakPolarHBondContact O-CB 3.29Å; A370-L374 PolarHBondContact O-N 3.47Å; L371-L374 PolarHBondContact O-N 3.3Å; G372-L374 VanDerWaalsContact C-N 3.32Å; G372-L374 PolarHBondContact O-N 3.3Å; L374-E377 PolarHBondContact O-N 3.32Å; L374-M378 HydrophobicContact CD1-CG 4.45Å; L374-M378 HydrophobicContact CG-CE 4.44Å; L374-M378 WeakPolarHBondContact O-CB 3.24Å; L374-M378 VanDerWaalsContact O-CG 3.29Å; L374-M378 WeakPolarHBondContact O-CG 3.5Å; L374-M378 PolarHBondContact O-N 3.05Å
375	L	98.8	Very high	97.7	Very high	2 Å²	2	8 Å²	8	1%	0.01	4%	0.043	C	C	.	.	H	α-helix	trans	-62.1	-44.4	174.3	177.4	57.1	0	0	0	111.3	A288 A292 L371 E377 M378 I379 I419	A288-L375 HydrophobicContact CB-CD1 4.06Å; A292-L375 HydrophobicContact CB-CD1 4.07Å; L371-L375 WeakPolarHBondContact O-CB 3.33Å; L371-L375 PolarHBondContact O-N 2.92Å; L375-E377 VanDerWaalsContact C-N 3.33Å; L375-E377 PolarHBondContact O-N 3.24Å; L375-M378 HydrophobicContact CB-CE 4.47Å; L375-M378 HydrophobicContact CD1-CE 4.17Å; L375-M378 PolarHBondContact O-N 3.26Å; L375-I379 HydrophobicContact CD1-CD1 3.87Å; L375-I379 HydrophobicContact CD1-CG1 4.35Å; L375-I379 HydrophobicContact CG-CD1 4.27Å; L375-I379 WeakPolarHBondContact O-CG1 3.4Å; L375-I379 PolarHBondContact O-N 3.06Å; L375-I419 HydrophobicContact CD2-CG2 3.59Å
376	Y	98.7	Very high	97.1	Very high	10 Å²	10	11.2 Å²	11.2	4%	0.039	6%	0.058	C	C	.	.	H	α-helix	trans	-55.4	-50.6	173.3	-179.7	-75.2	0	0	0	111.1	G372 M378 I379 E380 Q382 P384 E406 E407 Y408 F412	G372-Y376 WeakPolarHBondContact O-CB 3.2Å; G372-Y376 PolarHBondContact O-N 2.89Å; Y376-M378 VanDerWaalsContact C-N 3.35Å; Y376-M378 PolarHBondContact O-N 3.27Å; Y376-I379 PolarHBondContact O-N 2.88Å; Y376-E380 HydrophobicContact CD1-CB 4.04Å; Y376-E380 HydrophobicContact CE1-CB 3.65Å; Y376-E380 HydrophobicContact CE1-CG 3.82Å; Y376-E380 WeakPolarHBondContact O-CB 3.21Å; Y376-E380 PolarHBondContact O-N 3.14Å; Y376-Q382 WeakPolarHBondContact CD1-O 3.36Å; Y376-Q382 WeakPolarHBondContact CE1-O 3.35Å; Y376-P384 HydrophobicContact CD1-CB 3.74Å; Y376-P384 HydrophobicContact CD1-CG 4.09Å; Y376-P384 HydrophobicContact CD2-CB 4.15Å; Y376-P384 HydrophobicContact CE1-CB 3.86Å; Y376-P384 HydrophobicContact CE2-CB 4.24Å; Y376-P384 HydrophobicContact CG-CB 3.92Å; Y376-P384 HydrophobicContact CG-CG 4.25Å; Y376-E406 HydrophobicContact CD2-CG 4.45Å; Y376-E406 HydrophobicContact CE2-CB 4.34Å; Y376-E406 HydrophobicContact CE2-CG 4.34Å; Y376-E407 WeakPolarHBondContact CE2-O 3.44Å; Y376-E407 VanDerWaalsContact CZ-O 3.27Å; Y376-E407 PolarHBondContact OH-O 3.33Å; Y376-Y408 HydrophobicContact CD2-CD1 4.16Å; Y376-Y408 AromaticContact CD2-CE1 3.78Å; Y376-Y408 HydrophobicContact CD2-CE1 3.78Å; Y376-Y408 AromaticContact CE2-CD1 3.99Å; Y376-Y408 HydrophobicContact CE2-CD1 3.99Å; Y376-Y408 AromaticContact CE2-CE1 3.99Å; Y376-Y408 HydrophobicContact CE2-CE1 3.99Å; Y376-F412 HydrophobicContact CD2-CE1 4.22Å; Y376-F412 HydrophobicContact CD2-CE2 4.42Å; Y376-F412 AromaticContact CD2-CZ 3.64Å; Y376-F412 HydrophobicContact CD2-CZ 3.64Å; Y376-F412 HydrophobicContact CE2-CE2 4.2Å; Y376-F412 AromaticContact CE2-CZ 3.87Å; Y376-F412 HydrophobicContact CE2-CZ 3.87Å; Y376-F412 AromaticContact CG-CZ 3.99Å; Y376-F412 HydrophobicContact CG-CZ 3.99Å
377	E	98.1	Very high	96	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.019	8%	0.076	C	C	.	.	H	α-helix	trans	-67.3	-34.8	-176.1	-176.8	175.9	-168	0	0	113.1	I275 Y276 P314 Y351 C373 L374 L375 I379 G381 Q382	I275-E377 HydrophobicContact CD1-CG 4.35Å; Y276-E377 WeakPolarHBondContact CE2-OE1 3.31Å; Y276-E377 VanDerWaalsContact CZ-OE1 3.29Å; Y276-E377 PolarHBondContact OH-OE1 3.1Å; P314-E377 VanDerWaalsContact CG-CD 3.5Å; P314-E377 WeakPolarHBondContact CG-OE2 3.09Å; Y351-E377 WeakPolarHBondContact CE1-OE2 3.42Å; Y351-E377 VanDerWaalsContact CZ-OE2 3.31Å; Y351-E377 PolarHBondContact OH-OE1 3.02Å; Y351-E377 PolarHBondContact OH-OE2 3.48Å; C373-E377 WeakPolarHBondContact O-CB 3.48Å; C373-E377 PolarHBondContact O-N 3.41Å; L374-E377 PolarHBondContact O-N 3.32Å; L375-E377 VanDerWaalsContact C-N 3.33Å; L375-E377 PolarHBondContact O-N 3.24Å; E377-I379 VanDerWaalsContact C-N 3.34Å; E377-G381 VanDerWaalsContact O-CA 3.3Å; E377-G381 WeakPolarHBondContact O-CA 3.38Å; E377-G381 PolarHBondContact O-N 2.91Å; E377-Q382 WeakPolarHBondContact CA-O 3.35Å
378	M	98.5	Very high	94.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.6	-40.1	172.7	-76.8	-169.3	-62.5	0	0	111.9	L271 I275 G282 F283 A288 Y291 A292 L374 L375 Y376	L271-M378 HydrophobicContact CD1-SD 3.96Å; I275-M378 HydrophobicContact CD1-CG 3.87Å; I275-M378 HydrophobicContact CG1-CG 4.39Å; G282-M378 CarbonylContact C-O 3.46Å; G282-M378 WeakPolarHBondContact CA-O 3.48Å; F283-M378 HydrophobicContact CD2-CB 3.79Å; F283-M378 HydrophobicContact CD2-CG 3.84Å; F283-M378 HydrophobicContact CD2-SD 4.07Å; F283-M378 HydrophobicContact CE2-CB 4.17Å; F283-M378 HydrophobicContact CE2-CG 3.71Å; F283-M378 HydrophobicContact CE2-SD 3.89Å; F283-M378 PolarHBondContact N-O 2.95Å; A288-M378 HydrophobicContact CB-CB 3.81Å; A288-M378 HydrophobicContact CB-CE 4.36Å; A288-M378 WeakPolarHBondContact O-CE 3.4Å; Y291-M378 HydrophobicContact CD2-SD 4.16Å; A292-M378 HydrophobicContact CB-CE 4.26Å; L374-M378 HydrophobicContact CD1-CG 4.45Å; L374-M378 HydrophobicContact CG-CE 4.44Å; L374-M378 WeakPolarHBondContact O-CB 3.24Å; L374-M378 VanDerWaalsContact O-CG 3.29Å; L374-M378 WeakPolarHBondContact O-CG 3.5Å; L374-M378 PolarHBondContact O-N 3.05Å; L375-M378 HydrophobicContact CB-CE 4.47Å; L375-M378 HydrophobicContact CD1-CE 4.17Å; L375-M378 PolarHBondContact O-N 3.26Å; Y376-M378 VanDerWaalsContact C-N 3.35Å; Y376-M378 PolarHBondContact O-N 3.27Å
379	I	98.4	Very high	93.6	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-80.7	-51.3	-179.3	-64.2	170.9	0	0	0	110.9	E285 A288 L375 Y376 E377 K411 F412 A416	E285-I379 HydrophobicContact CG-CD1 4.49Å; A288-I379 HydrophobicContact CB-CD1 4.45Å; A288-I379 HydrophobicContact CB-CG1 3.71Å; L375-I379 HydrophobicContact CD1-CD1 3.87Å; L375-I379 HydrophobicContact CD1-CG1 4.35Å; L375-I379 HydrophobicContact CG-CD1 4.27Å; L375-I379 WeakPolarHBondContact O-CG1 3.4Å; L375-I379 PolarHBondContact O-N 3.06Å; Y376-I379 PolarHBondContact O-N 2.88Å; E377-I379 VanDerWaalsContact C-N 3.34Å; I379-K411 HydrophobicContact CG2-CB 3.95Å; I379-K411 VanDerWaalsContact O-CD 3.31Å; I379-K411 WeakPolarHBondContact O-CD 3.36Å; I379-F412 HydrophobicContact CB-CD1 4.31Å; I379-F412 HydrophobicContact CB-CE1 3.79Å; I379-F412 HydrophobicContact CB-CZ 3.92Å; I379-F412 HydrophobicContact CD1-CD1 3.91Å; I379-F412 HydrophobicContact CD1-CE1 3.8Å; I379-F412 HydrophobicContact CG1-CE1 4.38Å; I379-F412 HydrophobicContact CG2-CD1 3.87Å; I379-F412 HydrophobicContact CG2-CD2 4.09Å; I379-F412 HydrophobicContact CG2-CE1 3.79Å; I379-F412 HydrophobicContact CG2-CE2 4.03Å; I379-F412 HydrophobicContact CG2-CG 4.01Å; I379-F412 HydrophobicContact CG2-CZ 3.87Å; I379-A416 HydrophobicContact CD1-CB 3.89Å
380	E	97.3	Very high	92.8	Very high	27 Å²	27	35.4 Å²	35.4	13%	0.126	16%	0.161	C	C	.	.	H	α-helix	trans	-72.7	-35.5	-173	-172.5	66.8	-168.3	0	0	111.8	Y376 Q382 S409 K411 F412	Y376-E380 HydrophobicContact CD1-CB 4.04Å; Y376-E380 HydrophobicContact CE1-CB 3.65Å; Y376-E380 HydrophobicContact CE1-CG 3.82Å; Y376-E380 WeakPolarHBondContact O-CB 3.21Å; Y376-E380 PolarHBondContact O-N 3.14Å; E380-Q382 HydrophobicContact CB-CG 4.41Å; E380-Q382 HydrophobicContact CG-CG 3.58Å; E380-Q382 PolarHBondContact OE1-NE2 3.38Å; E380-S409 WeakPolarHBondContact OE1-CB 3.15Å; E380-S409 WeakPolarHBondContact OE2-CB 3.34Å; E380-S409 PolarHBondContact OE2-OG 3.24Å; E380-K411 PolarHBondContact O-NZ 3.06Å; E380-F412 HydrophobicContact CB-CE2 3.98Å; E380-F412 HydrophobicContact CB-CZ 4.07Å; E380-F412 VanDerWaalsContact OE2-CE2 3.25Å; E380-F412 WeakPolarHBondContact OE2-CE2 3.29Å
381	G	96.2	Very high	91.8	Very high	6 Å²	6	45.7 Å²	45.7	6%	0.062	20%	0.204	C	C	.	.	S	Bend	trans	83	18.7	-170.4	0	0	0	0	0	113.9	Y276 E377	Y276-G381 VanDerWaalsContact CE1-O 3.26Å; Y276-G381 WeakPolarHBondContact CE1-O 3.49Å; E377-G381 VanDerWaalsContact O-CA 3.3Å; E377-G381 WeakPolarHBondContact O-CA 3.38Å; E377-G381 PolarHBondContact O-N 2.91Å
382	Q	94.6	Very high	91.3	Very high	55 Å²	55	48 Å²	48	26%	0.257	22%	0.217	S	C	.	.	S	Bend	trans	-156.1	157.4	171.2	62.7	-176.4	-19	0	0	110.8	Y376 E377 E380	Y376-Q382 WeakPolarHBondContact CD1-O 3.36Å; Y376-Q382 WeakPolarHBondContact CE1-O 3.35Å; E377-Q382 WeakPolarHBondContact CA-O 3.35Å; E380-Q382 HydrophobicContact CB-CG 4.41Å; E380-Q382 HydrophobicContact CG-CG 3.58Å; E380-Q382 PolarHBondContact OE1-NE2 3.38Å
383	S	94.4	Very high	90.9	Very high	10 Å²	10	55.7 Å²	55.7	7%	0.07	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-66.9	143.8	176.2	169.7	0	0	0	0	112	F385 Q386	S383-F385 PolarHBondContact O-N 3.35Å; S383-Q386 WeakPolarHBondContact CB-O 3.01Å; S383-Q386 PolarHBondContact O-N 3.3Å; S383-Q386 PolarHBondContact OG-N 3.46Å
384	P	95.3	Very high	90.6	Very high	19 Å²	19	61 Å²	61	12%	0.123	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.9	-179.5	23.5	-33.1	0	0	0	114	C373 Y376 E406	C373-P384 HydrophobicContact CB-CG 4.34Å; Y376-P384 HydrophobicContact CD1-CB 3.74Å; Y376-P384 HydrophobicContact CD1-CG 4.09Å; Y376-P384 HydrophobicContact CD2-CB 4.15Å; Y376-P384 HydrophobicContact CE1-CB 3.86Å; Y376-P384 HydrophobicContact CE2-CB 4.24Å; Y376-P384 HydrophobicContact CG-CB 3.92Å; Y376-P384 HydrophobicContact CG-CG 4.25Å; P384-E406 HydrophobicContact CB-CB 4.03Å
385	F	93	Very high	90.3	Very high	8 Å²	8	67 Å²	67	4%	0.035	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	1.7	-176.6	-51.9	-68.5	0	0	0	113.3	W369 S383 V397 L400 V401 E406	W369-F385 AromaticContact CH2-CE2 3.96Å; W369-F385 HydrophobicContact CH2-CE2 3.96Å; W369-F385 AromaticContact CH2-CZ 3.87Å; W369-F385 HydrophobicContact CH2-CZ 3.87Å; W369-F385 HydrophobicContact CZ2-CD2 4.35Å; W369-F385 AromaticContact CZ2-CE2 3.43Å; W369-F385 HydrophobicContact CZ2-CE2 3.43Å; W369-F385 VanDerWaalsContact CZ2-CE2 3.43Å; W369-F385 AromaticContact CZ2-CZ 3.83Å; W369-F385 HydrophobicContact CZ2-CZ 3.83Å; S383-F385 PolarHBondContact O-N 3.35Å; F385-V397 HydrophobicContact CB-CG1 4.33Å; F385-L400 HydrophobicContact CB-CB 4.35Å; F385-L400 HydrophobicContact CD1-CB 4.24Å; F385-L400 WeakPolarHBondContact O-CD1 3.29Å; F385-V401 HydrophobicContact CB-CG2 4.06Å; F385-V401 HydrophobicContact CD1-CG2 4.46Å; F385-V401 HydrophobicContact CD2-CG2 3.7Å; F385-V401 HydrophobicContact CE2-CG2 4.32Å; F385-V401 HydrophobicContact CG-CG2 3.8Å; F385-E406 HydrophobicContact CE1-CB 4.44Å; F385-E406 HydrophobicContact CZ-CB 4.46Å
386	Q	86.2	Confident	90.1	Very high	78 Å²	78	70.3 Å²	70.3	36%	0.364	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-141.9	103.1	179.8	-172.5	176.8	-6.6	0	0	111.7	S383	S383-Q386 WeakPolarHBondContact CB-O 3.01Å; S383-Q386 PolarHBondContact O-N 3.3Å; S383-Q386 PolarHBondContact OG-N 3.46Å
387	Q	77.3	Confident	89.8	Confident	90 Å²	90	70 Å²	70	42%	0.421	31%	0.312	S	S	.	.			trans	-66.8	139.9	176.9	-69.4	-177.4	-5.4	0	0	112	K390	Q387-K390 HydrophobicContact CB-CB 4.45Å; Q387-K390 HydrophobicContact CB-CD 4.12Å; Q387-K390 HydrophobicContact CB-CG 4.39Å; Q387-K390 PolarHBondContact O-N 3.27Å; Q387-K390 VanDerWaalsContact OE1-CD 3.28Å
388	R	72.6	Confident	89.7	Confident	107 Å²	107	70.8 Å²	70.8	40%	0.404	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	142	179.9	-161	-178	173.6	175.3	2.1	110.5	Y276 K390	Y276-R388 PolarHBondContact O-NH2 2.96Å; Y276-R388 VanDerWaalsContact O-NH2 3.1Å; R388-K390 PolarHBondContact O-N 3.08Å
389	K	73.9	Confident	89.5	Confident	198 Å²	198	74.9 Å²	74.9	86%	0.861	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	-4.5	179.2	-60.1	174.1	-179.5	177.4	0	116.1
390	K	81.4	Confident	89.4	Confident	123 Å²	123	76.2 Å²	76.2	54%	0.535	34%	0.339	S	S	.	.			trans	-88.2	120.8	171.2	-67.4	-169.5	-177.2	174.4	0	109.9	Q387 R388 I392	Q387-K390 HydrophobicContact CB-CB 4.45Å; Q387-K390 HydrophobicContact CB-CD 4.12Å; Q387-K390 HydrophobicContact CB-CG 4.39Å; Q387-K390 PolarHBondContact O-N 3.27Å; Q387-K390 VanDerWaalsContact OE1-CD 3.28Å; R388-K390 PolarHBondContact O-N 3.08Å; K390-I392 HydrophobicContact CB-CD1 4.46Å; K390-I392 HydrophobicContact CB-CG1 4.12Å; K390-I392 PolarHBondContact O-N 3.02Å; K390-I392 VanDerWaalsContact O-N 3.1Å
391	K	79.2	Confident	89.3	Confident	219 Å²	219	75 Å²	75	95%	0.952	33%	0.333	S	S	*	.			trans	-77.4	93.6	170.2	-71	-172.4	179.8	179.7	0	108.5
392	I	86.6	Confident	89.2	Confident	51 Å²	51	78.9 Å²	78.9	26%	0.262	35%	0.348	S	S	.	.			trans	-94	138.7	174	-53.9	176.7	0	0	0	107.9	K390 E396 V397	K390-I392 HydrophobicContact CB-CD1 4.46Å; K390-I392 HydrophobicContact CB-CG1 4.12Å; K390-I392 PolarHBondContact O-N 3.02Å; K390-I392 VanDerWaalsContact O-N 3.1Å; I392-E396 HydrophobicContact CG2-CB 3.73Å; I392-E396 HydrophobicContact CG2-CG 3.64Å; I392-V397 HydrophobicContact CB-CG2 4.03Å; I392-V397 HydrophobicContact CG2-CG2 3.73Å
393	K	91.5	Very high	89.2	Confident	161 Å²	161	81.8 Å²	81.8	70%	0.7	36%	0.362	S	S	*	.			trans	-66.4	148.6	175	-69	-174.6	-180	179.5	0	110	E395 E396 V397	K393-E395 VanDerWaalsContact C-N 3.27Å; K393-E395 PolarHBondContact O-N 2.87Å; K393-E396 PolarHBondContact O-N 3.12Å; K393-E396 VanDerWaalsContact O-N 3.11Å; K393-V397 PolarHBondContact O-N 2.89Å
394	R	91.3	Very high	89.1	Confident	111 Å²	111	83.9 Å²	83.9	42%	0.419	37%	0.374	S	S	.	.	H	α-helix	trans	-54.2	-44.9	-179.6	173.1	177.7	175.8	167.2	5.7	112.1	R345 V349 E396 V397 E398	R345-R394 VanDerWaalsContact NH1-NH2 3.19Å; V349-R394 HydrophobicContact CG1-CG 4.26Å; V349-R394 HydrophobicContact CG2-CG 3.89Å; R394-E396 PolarHBondContact O-N 3.33Å; R394-V397 PolarHBondContact O-N 3.11Å; R394-E398 HydrophobicContact CG-CG 4.4Å; R394-E398 WeakPolarHBondContact CG-OE1 3.28Å; R394-E398 IonicContact CZ-OE1 2.72Å; R394-E398 IonicContact NE-OE1 3.62Å; R394-E398 PolarHBondContact NE-OE1 3.4Å; R394-E398 IonicContact NH2-OE1 2.67Å; R394-E398 PolarHBondContact NH2-OE1 3.48Å; R394-E398 WeakPolarHBondContact O-CG 3.14Å; R394-E398 PolarHBondContact O-N 2.91Å
395	E	93.2	Very high	89.1	Confident	125 Å²	125	88.8 Å²	88.8	58%	0.584	40%	0.395	S	S	*	.	H	α-helix	trans	-63	-33.5	-177	-59.9	73.1	-156.9	0	0	111.7	K393 R399	K393-E395 VanDerWaalsContact C-N 3.27Å; K393-E395 PolarHBondContact O-N 2.87Å; E395-R399 WeakPolarHBondContact O-CB 3.14Å; E395-R399 PolarHBondContact O-N 3.13Å
396	E	94.2	Very high	89.2	Confident	73 Å²	73	89.1 Å²	89.1	34%	0.341	40%	0.397	S	S	.	.	H	α-helix	trans	-73.4	-42.6	177.4	178.2	60.3	-171.3	0	0	111.2	I392 K393 R394 E398 R399 L400	I392-E396 HydrophobicContact CG2-CB 3.73Å; I392-E396 HydrophobicContact CG2-CG 3.64Å; K393-E396 PolarHBondContact O-N 3.12Å; K393-E396 VanDerWaalsContact O-N 3.11Å; R394-E396 PolarHBondContact O-N 3.33Å; E396-E398 VanDerWaalsContact C-N 3.28Å; E396-E398 PolarHBondContact O-N 3.07Å; E396-R399 WeakPolarHBondContact O-CB 3.44Å; E396-R399 PolarHBondContact O-N 3.35Å; E396-R399 VanDerWaalsContact O-N 3.11Å; E396-R399 IonicContact OE1-CZ 3.49Å; E396-R399 IonicContact OE1-NE 2.65Å; E396-R399 PolarHBondContact OE1-NE 3.33Å; E396-R399 IonicContact OE1-NH2 2.73Å; E396-R399 PolarHBondContact OE1-NH2 3.16Å; E396-R399 IonicContact OE2-CZ 3.77Å; E396-R399 IonicContact OE2-NE 3.58Å; E396-R399 PolarHBondContact OE2-NE 3.17Å; E396-R399 IonicContact OE2-NH2 3.75Å; E396-L400 WeakPolarHBondContact O-CG 3.48Å; E396-L400 PolarHBondContact O-N 2.74Å
397	V	93.4	Very high	89.6	Confident	2 Å²	2	92.8 Å²	92.8	1%	0.012	41%	0.414	C	S	.	.	H	α-helix	trans	-60.2	-41.9	173.6	-178.2	0	0	0	0	110.7	V349 F385 I392 K393 R394 R399 L400 V401	V349-V397 HydrophobicContact CG1-CB 3.88Å; V349-V397 HydrophobicContact CG1-CG1 3.8Å; V349-V397 HydrophobicContact CG1-CG2 4.45Å; F385-V397 HydrophobicContact CB-CG1 4.33Å; I392-V397 HydrophobicContact CB-CG2 4.03Å; I392-V397 HydrophobicContact CG2-CG2 3.73Å; K393-V397 PolarHBondContact O-N 2.89Å; R394-V397 PolarHBondContact O-N 3.11Å; V397-R399 VanDerWaalsContact C-N 3.31Å; V397-R399 PolarHBondContact O-N 3.44Å; V397-L400 PolarHBondContact O-N 2.77Å; V397-V401 WeakPolarHBondContact O-CG2 3.38Å; V397-V401 PolarHBondContact O-N 3.06Å
398	E	94.4	Very high	90.5	Very high	21 Å²	21	90.2 Å²	90.2	10%	0.098	40%	0.401	C	S	.	.	H	α-helix	trans	-63.9	-34.3	175.8	-71.8	175.8	176.4	0	0	112.5	R345 V357 R394 E396 K402	R345-E398 IonicContact CZ-OE1 3.72Å; R345-E398 IonicContact CZ-OE2 2.76Å; R345-E398 IonicContact NH1-OE1 3.07Å; R345-E398 IonicContact NH2-OE1 3.85Å; R345-E398 PolarHBondContact NH2-OE1 3.33Å; R345-E398 IonicContact NH2-OE2 3.19Å; R345-E398 PolarHBondContact NH2-OE2 2.85Å; V357-E398 HydrophobicContact CG1-CB 3.84Å; V357-E398 HydrophobicContact CG1-CG 4.01Å; V357-E398 HydrophobicContact CG2-CG 4.48Å; R394-E398 HydrophobicContact CG-CG 4.4Å; R394-E398 WeakPolarHBondContact CG-OE1 3.28Å; R394-E398 IonicContact CZ-OE1 2.72Å; R394-E398 IonicContact NE-OE1 3.62Å; R394-E398 PolarHBondContact NE-OE1 3.4Å; R394-E398 IonicContact NH2-OE1 2.67Å; R394-E398 PolarHBondContact NH2-OE1 3.48Å; R394-E398 WeakPolarHBondContact O-CG 3.14Å; R394-E398 PolarHBondContact O-N 2.91Å; E396-E398 VanDerWaalsContact C-N 3.28Å; E396-E398 PolarHBondContact O-N 3.07Å; E398-K402 WeakPolarHBondContact O-CE 3.41Å; E398-K402 WeakPolarHBondContact O-CG 3.49Å; E398-K402 PolarHBondContact O-N 2.87Å
399	R	95.8	Very high	91.7	Very high	86 Å²	86	86.6 Å²	86.6	33%	0.325	39%	0.392	S	S	.	.	H	α-helix	trans	-66.5	-47.5	172.1	-169.4	-167.5	68.5	79	0	111.4	E395 E396 V397 V401 K402 E403	E395-R399 WeakPolarHBondContact O-CB 3.14Å; E395-R399 PolarHBondContact O-N 3.13Å; E396-R399 WeakPolarHBondContact O-CB 3.44Å; E396-R399 PolarHBondContact O-N 3.35Å; E396-R399 VanDerWaalsContact O-N 3.11Å; E396-R399 IonicContact OE1-CZ 3.49Å; E396-R399 IonicContact OE1-NE 2.65Å; E396-R399 PolarHBondContact OE1-NE 3.33Å; E396-R399 IonicContact OE1-NH2 2.73Å; E396-R399 PolarHBondContact OE1-NH2 3.16Å; E396-R399 IonicContact OE2-CZ 3.77Å; E396-R399 IonicContact OE2-NE 3.58Å; E396-R399 PolarHBondContact OE2-NE 3.17Å; E396-R399 IonicContact OE2-NH2 3.75Å; V397-R399 VanDerWaalsContact C-N 3.31Å; V397-R399 PolarHBondContact O-N 3.44Å; R399-V401 VanDerWaalsContact C-N 3.34Å; R399-V401 PolarHBondContact O-N 3.24Å; R399-K402 PolarHBondContact O-N 3.38Å; R399-K402 VanDerWaalsContact O-N 3.08Å; R399-E403 VanDerWaalsContact CG-CD 3.49Å; R399-E403 WeakPolarHBondContact CG-OE2 3.16Å; R399-E403 IonicContact CZ-OE2 3.95Å; R399-E403 IonicContact NH1-OE2 2.94Å; R399-E403 PolarHBondContact NH1-OE2 2.66Å; R399-E403 WeakPolarHBondContact O-CB 3.41Å; R399-E403 PolarHBondContact O-N 3.09Å
400	L	94.9	Very high	92.8	Very high	31 Å²	31	84.8 Å²	84.8	16%	0.162	39%	0.392	C	S	.	.	H	α-helix	trans	-57.1	-46.3	177.7	-66.3	175.9	0	0	0	111.6	F385 E396 V397 K402 E403 V404	F385-L400 HydrophobicContact CB-CB 4.35Å; F385-L400 HydrophobicContact CD1-CB 4.24Å; F385-L400 WeakPolarHBondContact O-CD1 3.29Å; E396-L400 WeakPolarHBondContact O-CG 3.48Å; E396-L400 PolarHBondContact O-N 2.74Å; V397-L400 PolarHBondContact O-N 2.77Å; L400-K402 VanDerWaalsContact C-N 3.25Å; L400-K402 PolarHBondContact O-N 2.92Å; L400-E403 PolarHBondContact O-N 3.47Å; L400-V404 HydrophobicContact CD2-CB 4.04Å; L400-V404 HydrophobicContact CD2-CG1 4.42Å; L400-V404 HydrophobicContact CD2-CG2 3.59Å; L400-V404 PolarHBondContact O-N 3.5Å
401	V	95.6	Very high	93.5	Very high	2 Å²	2	83.5 Å²	83.5	1%	0.012	39%	0.386	C	S	.	.	H	α-helix	trans	-56	-39.2	176	166.1	0	0	0	0	112	P354 V357 W369 F385 V397 R399 K426	P354-V401 HydrophobicContact CG-CG1 4.01Å; V357-V401 HydrophobicContact CG2-CG1 4.36Å; W369-V401 HydrophobicContact CH2-CG1 4.47Å; W369-V401 HydrophobicContact CZ2-CG1 3.89Å; F385-V401 HydrophobicContact CB-CG2 4.06Å; F385-V401 HydrophobicContact CD1-CG2 4.46Å; F385-V401 HydrophobicContact CD2-CG2 3.7Å; F385-V401 HydrophobicContact CE2-CG2 4.32Å; F385-V401 HydrophobicContact CG-CG2 3.8Å; V397-V401 WeakPolarHBondContact O-CG2 3.38Å; V397-V401 PolarHBondContact O-N 3.06Å; R399-V401 VanDerWaalsContact C-N 3.34Å; R399-V401 PolarHBondContact O-N 3.24Å; V401-K426 PolarHBondContact O-NZ 3.08Å
402	K	94.4	Very high	94.4	Very high	87 Å²	87	73.7 Å²	73.7	38%	0.378	34%	0.344	S	S	.	.	H	α-helix	trans	-79.1	-36.2	-178.9	-70.1	179.6	-63.6	170.9	0	114	V357 M358 E398 R399 L400 K426	V357-K402 HydrophobicContact CG1-CD 4.14Å; V357-K402 HydrophobicContact CG1-CG 4.35Å; M358-K402 HydrophobicContact CG-CD 3.99Å; M358-K402 HydrophobicContact CG-CG 4.43Å; M358-K402 HydrophobicContact SD-CD 4.47Å; E398-K402 WeakPolarHBondContact O-CE 3.41Å; E398-K402 WeakPolarHBondContact O-CG 3.49Å; E398-K402 PolarHBondContact O-N 2.87Å; R399-K402 PolarHBondContact O-N 3.38Å; R399-K402 VanDerWaalsContact O-N 3.08Å; L400-K402 VanDerWaalsContact C-N 3.25Å; L400-K402 PolarHBondContact O-N 2.92Å; K402-K426 WeakPolarHBondContact O-CD 3.4Å
403	E	93.8	Very high	95	Very high	115 Å²	115	72.8 Å²	72.8	54%	0.537	34%	0.342	S	S	.	.	H	α-helix	trans	-116.1	-31.2	-162.3	-67.4	167.6	-162.1	0	0	113.6	R399 L400	R399-E403 VanDerWaalsContact CG-CD 3.49Å; R399-E403 WeakPolarHBondContact CG-OE2 3.16Å; R399-E403 IonicContact CZ-OE2 3.95Å; R399-E403 IonicContact NH1-OE2 2.94Å; R399-E403 PolarHBondContact NH1-OE2 2.66Å; R399-E403 WeakPolarHBondContact O-CB 3.41Å; R399-E403 PolarHBondContact O-N 3.09Å; L400-E403 PolarHBondContact O-N 3.47Å
404	V	93.9	Very high	95.3	Very high	54 Å²	54	72.8 Å²	72.8	33%	0.327	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-102.8	130.9	-167.4	-179.9	0	0	0	0	110.5	L400 K426	L400-V404 HydrophobicContact CD2-CB 4.04Å; L400-V404 HydrophobicContact CD2-CG1 4.42Å; L400-V404 HydrophobicContact CD2-CG2 3.59Å; L400-V404 PolarHBondContact O-N 3.5Å; V404-K426 VanDerWaalsContact O-CE 3.3Å; V404-K426 WeakPolarHBondContact O-CE 3.48Å; V404-K426 PolarHBondContact O-NZ 2.95Å
405	Q	93.5	Very high	95.7	Very high	123 Å²	123	71.7 Å²	71.7	58%	0.575	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-74.3	141.6	171.5	-65.4	-65.8	-43.8	0	0	109.5
406	E	95.1	Very high	95.9	Very high	14 Å²	14	65.8 Å²	65.8	7%	0.065	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-68.2	147.6	176.5	70.8	-68.1	163.3	0	0	112	Y376 P384 F385 Y408 K421 L424	Y376-E406 HydrophobicContact CD2-CG 4.45Å; Y376-E406 HydrophobicContact CE2-CB 4.34Å; Y376-E406 HydrophobicContact CE2-CG 4.34Å; P384-E406 HydrophobicContact CB-CB 4.03Å; F385-E406 HydrophobicContact CE1-CB 4.44Å; F385-E406 HydrophobicContact CZ-CB 4.46Å; E406-Y408 VanDerWaalsContact CD-OH 3.26Å; E406-Y408 HydrophobicContact CG-CD2 4.4Å; E406-Y408 HydrophobicContact CG-CE1 4.32Å; E406-Y408 HydrophobicContact CG-CE2 3.47Å; E406-Y408 VanDerWaalsContact CG-CE2 3.47Å; E406-Y408 VanDerWaalsContact CG-CZ 3.41Å; E406-Y408 WeakPolarHBondContact CG-OH 3.18Å; E406-Y408 VanDerWaalsContact OE1-CE2 3.31Å; E406-Y408 WeakPolarHBondContact OE1-CE2 3.21Å; E406-Y408 PolarHBondContact OE1-OH 2.6Å; E406-K421 WeakPolarHBondContact OE1-CG 3.24Å; E406-L424 HydrophobicContact CG-CD1 3.82Å
407	E	95.3	Very high	96.1	Very high	156 Å²	156	66.9 Å²	66.9	73%	0.729	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-101.9	144.3	178.6	-65.7	179.7	178.5	0	0	110.1	Y376	Y376-E407 WeakPolarHBondContact CE2-O 3.44Å; Y376-E407 VanDerWaalsContact CZ-O 3.27Å; Y376-E407 PolarHBondContact OH-O 3.33Å
408	Y	96.9	Very high	96.4	Very high	35 Å²	35	69.2 Å²	69.2	14%	0.137	33%	0.334	C	S	.	.			trans	-120.3	125.3	-176.9	-64.1	-90.8	0	0	0	110.4	Y376 E406 F412 R417 C420 K421	Y376-Y408 HydrophobicContact CD2-CD1 4.16Å; Y376-Y408 AromaticContact CD2-CE1 3.78Å; Y376-Y408 HydrophobicContact CD2-CE1 3.78Å; Y376-Y408 AromaticContact CE2-CD1 3.99Å; Y376-Y408 HydrophobicContact CE2-CD1 3.99Å; Y376-Y408 AromaticContact CE2-CE1 3.99Å; Y376-Y408 HydrophobicContact CE2-CE1 3.99Å; E406-Y408 VanDerWaalsContact CD-OH 3.26Å; E406-Y408 HydrophobicContact CG-CD2 4.4Å; E406-Y408 HydrophobicContact CG-CE1 4.32Å; E406-Y408 HydrophobicContact CG-CE2 3.47Å; E406-Y408 VanDerWaalsContact CG-CE2 3.47Å; E406-Y408 VanDerWaalsContact CG-CZ 3.41Å; E406-Y408 WeakPolarHBondContact CG-OH 3.18Å; E406-Y408 VanDerWaalsContact OE1-CE2 3.31Å; E406-Y408 WeakPolarHBondContact OE1-CE2 3.21Å; E406-Y408 PolarHBondContact OE1-OH 2.6Å; Y408-F412 HydrophobicContact CD1-CB 4.45Å; Y408-F412 AromaticContact CD1-CD1 3.75Å; Y408-F412 HydrophobicContact CD1-CD1 3.75Å; Y408-F412 AromaticContact CD1-CD2 3.8Å; Y408-F412 HydrophobicContact CD1-CD2 3.8Å; Y408-F412 AromaticContact CD1-CE1 3.82Å; Y408-F412 HydrophobicContact CD1-CE1 3.82Å; Y408-F412 AromaticContact CD1-CE2 3.85Å; Y408-F412 HydrophobicContact CD1-CE2 3.85Å; Y408-F412 AromaticContact CD1-CG 3.74Å; Y408-F412 HydrophobicContact CD1-CG 3.74Å; Y408-F412 AromaticContact CD1-CZ 3.88Å; Y408-F412 HydrophobicContact CD1-CZ 3.88Å; Y408-F412 HydrophobicContact CE1-CD1 4.19Å; Y408-F412 HydrophobicContact CE1-CE1 4.05Å; Y408-F412 HydrophobicContact CE1-CZ 4.32Å; Y408-F412 HydrophobicContact CG-CD2 4.43Å; Y408-R417 HydrophobicContact CD1-CB 4.39Å; Y408-R417 HydrophobicContact CD1-CG 4.06Å; Y408-R417 HydrophobicContact CD2-CG 3.92Å; Y408-R417 HydrophobicContact CE1-CG 4.28Å; Y408-R417 HydrophobicContact CE2-CG 4.14Å; Y408-R417 HydrophobicContact CG-CG 3.87Å; Y408-C420 HydrophobicContact CE1-CB 3.59Å; Y408-C420 VanDerWaalsContact OH-CB 3.23Å; Y408-C420 WeakPolarHBondContact OH-CB 3.22Å; Y408-K421 HydrophobicContact CE2-CD 4.32Å; Y408-K421 HydrophobicContact CE2-CG 3.75Å; Y408-K421 WeakPolarHBondContact OH-CG 3.29Å; Y408-K421 PolarHBondContact OH-N 3.18Å
409	S	96.7	Very high	96.6	Very high	32 Å²	32	68.3 Å²	68.3	22%	0.224	33%	0.329	C	S	.	.			trans	-73.6	-175.8	172.9	76.9	0	0	0	0	111.9	E380 K411	E380-S409 WeakPolarHBondContact OE1-CB 3.15Å; E380-S409 WeakPolarHBondContact OE2-CB 3.34Å; E380-S409 PolarHBondContact OE2-OG 3.24Å; S409-K411 PolarHBondContact O-N 3.4Å; S409-K411 WeakPolarHBondContact OG-CB 3.45Å; S409-K411 WeakPolarHBondContact OG-CG 3.29Å; S409-K411 PolarHBondContact OG-N 3.43Å; S409-K411 VanDerWaalsContact OG-N 3.12Å
410	N	96.8	Very high	96.7	Very high	160 Å²	160	64.2 Å²	64.2	86%	0.856	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-1.7	172.1	65.6	-29	0	0	0	113.8	F412	N410-F412 VanDerWaalsContact C-N 3.27Å; N410-F412 PolarHBondContact O-N 2.94Å
411	K	97.3	Very high	96.9	Very high	95 Å²	95	67.9 Å²	67.9	41%	0.413	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-17.9	174.8	-66.3	-174	175.8	-174.4	0	113.7	A281 I379 E380 S409	A281-K411 PolarHBondContact O-NZ 3.23Å; I379-K411 HydrophobicContact CG2-CB 3.95Å; I379-K411 VanDerWaalsContact O-CD 3.31Å; I379-K411 WeakPolarHBondContact O-CD 3.36Å; E380-K411 PolarHBondContact O-NZ 3.06Å; S409-K411 PolarHBondContact O-N 3.4Å; S409-K411 WeakPolarHBondContact OG-CB 3.45Å; S409-K411 WeakPolarHBondContact OG-CG 3.29Å; S409-K411 PolarHBondContact OG-N 3.43Å; S409-K411 VanDerWaalsContact OG-N 3.12Å
412	F	98.5	Very high	97	Very high	13 Å²	13	71.4 Å²	71.4	6%	0.057	35%	0.346	C	S	.	.	S	Bend	trans	-93.6	127.6	-177.4	-68.7	-95.7	0	0	0	111.4	Y376 I379 E380 Y408 N410 A416 R417	Y376-F412 HydrophobicContact CD2-CE1 4.22Å; Y376-F412 HydrophobicContact CD2-CE2 4.42Å; Y376-F412 AromaticContact CD2-CZ 3.64Å; Y376-F412 HydrophobicContact CD2-CZ 3.64Å; Y376-F412 HydrophobicContact CE2-CE2 4.2Å; Y376-F412 AromaticContact CE2-CZ 3.87Å; Y376-F412 HydrophobicContact CE2-CZ 3.87Å; Y376-F412 AromaticContact CG-CZ 3.99Å; Y376-F412 HydrophobicContact CG-CZ 3.99Å; I379-F412 HydrophobicContact CB-CD1 4.31Å; I379-F412 HydrophobicContact CB-CE1 3.79Å; I379-F412 HydrophobicContact CB-CZ 3.92Å; I379-F412 HydrophobicContact CD1-CD1 3.91Å; I379-F412 HydrophobicContact CD1-CE1 3.8Å; I379-F412 HydrophobicContact CG1-CE1 4.38Å; I379-F412 HydrophobicContact CG2-CD1 3.87Å; I379-F412 HydrophobicContact CG2-CD2 4.09Å; I379-F412 HydrophobicContact CG2-CE1 3.79Å; I379-F412 HydrophobicContact CG2-CE2 4.03Å; I379-F412 HydrophobicContact CG2-CG 4.01Å; I379-F412 HydrophobicContact CG2-CZ 3.87Å; E380-F412 HydrophobicContact CB-CE2 3.98Å; E380-F412 HydrophobicContact CB-CZ 4.07Å; E380-F412 VanDerWaalsContact OE2-CE2 3.25Å; E380-F412 WeakPolarHBondContact OE2-CE2 3.29Å; Y408-F412 HydrophobicContact CD1-CB 4.45Å; Y408-F412 AromaticContact CD1-CD1 3.75Å; Y408-F412 HydrophobicContact CD1-CD1 3.75Å; Y408-F412 AromaticContact CD1-CD2 3.8Å; Y408-F412 HydrophobicContact CD1-CD2 3.8Å; Y408-F412 AromaticContact CD1-CE1 3.82Å; Y408-F412 HydrophobicContact CD1-CE1 3.82Å; Y408-F412 AromaticContact CD1-CE2 3.85Å; Y408-F412 HydrophobicContact CD1-CE2 3.85Å; Y408-F412 AromaticContact CD1-CG 3.74Å; Y408-F412 HydrophobicContact CD1-CG 3.74Å; Y408-F412 AromaticContact CD1-CZ 3.88Å; Y408-F412 HydrophobicContact CD1-CZ 3.88Å; Y408-F412 HydrophobicContact CE1-CD1 4.19Å; Y408-F412 HydrophobicContact CE1-CE1 4.05Å; Y408-F412 HydrophobicContact CE1-CZ 4.32Å; Y408-F412 HydrophobicContact CG-CD2 4.43Å; N410-F412 VanDerWaalsContact C-N 3.27Å; N410-F412 PolarHBondContact O-N 2.94Å; F412-A416 HydrophobicContact CB-CB 4.46Å; F412-A416 HydrophobicContact CD1-CB 4.05Å; F412-R417 HydrophobicContact CB-CB 4.33Å
413	S	98.4	Very high	97.2	Very high	32 Å²	32	67.3 Å²	67.3	22%	0.224	33%	0.328	C	S	.	.			trans	-62.6	168.6	160.3	68.8	0	0	0	0	111.8	E285 E415 A416 R417	E285-S413 WeakPolarHBondContact OE1-CB 3.49Å; E285-S413 PolarHBondContact OE1-OG 3.23Å; E285-S413 VanDerWaalsContact OE2-CB 3.25Å; E285-S413 WeakPolarHBondContact OE2-CB 3.44Å; E285-S413 PolarHBondContact OE2-N 2.8Å; E285-S413 VanDerWaalsContact OE2-N 3.1Å; E285-S413 PolarHBondContact OE2-OG 3.33Å; S413-E415 VanDerWaalsContact C-N 3.3Å; S413-E415 PolarHBondContact O-N 3.46Å; S413-A416 PolarHBondContact O-N 2.63Å; S413-A416 VanDerWaalsContact OG-CB 3.27Å; S413-A416 WeakPolarHBondContact OG-CB 3.44Å; S413-A416 PolarHBondContact OG-N 3.37Å; S413-R417 WeakPolarHBondContact O-CB 3.46Å; S413-R417 PolarHBondContact O-N 2.9Å
414	E	98.3	Very high	97.5	Very high	161 Å²	161	61.8 Å²	61.8	75%	0.752	30%	0.302	S	S	*	.	H	α-helix	trans	-61.6	-41.9	175	-65	-168.8	160.6	0	0	111	S418	E414-S418 VanDerWaalsContact O-CB 3.27Å; E414-S418 WeakPolarHBondContact O-CB 3.45Å; E414-S418 PolarHBondContact O-N 3.27Å
415	E	98.4	Very high	97.7	Very high	89 Å²	89	60.3 Å²	60.3	42%	0.416	30%	0.296	S	S	.	.	H	α-helix	trans	-67.3	-41.4	177.2	-66.8	82.7	175.6	0	0	112.2	S413 S418 I419 H445 P446 I447	S413-E415 VanDerWaalsContact C-N 3.3Å; S413-E415 PolarHBondContact O-N 3.46Å; E415-S418 WeakPolarHBondContact O-CB 3.43Å; E415-S418 PolarHBondContact O-N 3.23Å; E415-I419 PolarHBondContact O-N 3.43Å; E415-H445 PolarHBondContact O-CE1 3.35Å; E415-P446 HydrophobicContact CG-CB 4.45Å; E415-I447 HydrophobicContact CB-CB 4.19Å; E415-I447 HydrophobicContact CB-CD1 3.61Å; E415-I447 HydrophobicContact CB-CG1 4.46Å
416	A	98.6	Very high	97.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66	-41.6	177.7	0	0	0	0	0	111.5	E285 I379 F412 S413 S418 I419 C420 I447	E285-A416 HydrophobicContact CG-CB 4.4Å; E285-A416 VanDerWaalsContact OE2-CB 3.3Å; E285-A416 WeakPolarHBondContact OE2-CB 3.45Å; I379-A416 HydrophobicContact CD1-CB 3.89Å; F412-A416 HydrophobicContact CB-CB 4.46Å; F412-A416 HydrophobicContact CD1-CB 4.05Å; S413-A416 PolarHBondContact O-N 2.63Å; S413-A416 VanDerWaalsContact OG-CB 3.27Å; S413-A416 WeakPolarHBondContact OG-CB 3.44Å; S413-A416 PolarHBondContact OG-N 3.37Å; A416-S418 VanDerWaalsContact C-N 3.32Å; A416-I419 WeakPolarHBondContact O-CG2 3.46Å; A416-C420 WeakPolarHBondContact O-CB 3.34Å; A416-C420 PolarHBondContact O-N 3.44Å; A416-C420 PolarHBondContact O-SG 2.9Å; A416-I447 HydrophobicContact CB-CD1 4.32Å
417	R	98.6	Very high	98	Very high	97 Å²	97	58.4 Å²	58.4	37%	0.366	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-42.3	171.9	-176.9	-175.7	-65.1	173.8	-0.9	111.2	Y408 F412 S413 K421	Y408-R417 HydrophobicContact CD1-CB 4.39Å; Y408-R417 HydrophobicContact CD1-CG 4.06Å; Y408-R417 HydrophobicContact CD2-CG 3.92Å; Y408-R417 HydrophobicContact CE1-CG 4.28Å; Y408-R417 HydrophobicContact CE2-CG 4.14Å; Y408-R417 HydrophobicContact CG-CG 3.87Å; F412-R417 HydrophobicContact CB-CB 4.33Å; S413-R417 WeakPolarHBondContact O-CB 3.46Å; S413-R417 PolarHBondContact O-N 2.9Å; R417-K421 HydrophobicContact CG-CD 4.25Å; R417-K421 WeakPolarHBondContact O-CG 3.32Å; R417-K421 PolarHBondContact O-N 3.06Å; R417-K421 VanDerWaalsContact O-N 3.09Å
418	S	98.6	Very high	98.1	Very high	51 Å²	51	52.5 Å²	52.5	36%	0.357	26%	0.263	S	S	.	.	H	α-helix	trans	-61.7	-51	-178.7	-175.8	0	0	0	0	111.6	E414 E415 A416 C420 K421 M422	E414-S418 VanDerWaalsContact O-CB 3.27Å; E414-S418 WeakPolarHBondContact O-CB 3.45Å; E414-S418 PolarHBondContact O-N 3.27Å; E415-S418 WeakPolarHBondContact O-CB 3.43Å; E415-S418 PolarHBondContact O-N 3.23Å; A416-S418 VanDerWaalsContact C-N 3.32Å; S418-C420 PolarHBondContact O-N 3.4Å; S418-K421 PolarHBondContact O-N 3.25Å; S418-M422 VanDerWaalsContact O-CG 3.3Å; S418-M422 WeakPolarHBondContact O-CG 3.5Å; S418-M422 PolarHBondContact O-N 3.44Å; S418-M422 VanDerWaalsContact O-N 3.1Å
419	I	98.7	Very high	98.1	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-64.8	-41.5	-179.6	-169.6	167.7	0	0	0	112.3	L375 E415 A416 K421 M422 L423 L432 H445 I447 F448	L375-I419 HydrophobicContact CD2-CG2 3.59Å; E415-I419 PolarHBondContact O-N 3.43Å; A416-I419 WeakPolarHBondContact O-CG2 3.46Å; I419-K421 PolarHBondContact O-N 3.1Å; I419-M422 PolarHBondContact O-N 3.36Å; I419-L423 HydrophobicContact CD1-CD1 4.3Å; I419-L423 HydrophobicContact CG1-CD1 3.83Å; I419-L423 HydrophobicContact CG1-CG 4.21Å; I419-L423 WeakPolarHBondContact O-CG 3.41Å; I419-L423 PolarHBondContact O-N 3.05Å; I419-L432 HydrophobicContact CG1-CD2 4.16Å; I419-H445 HydrophobicContact CD1-CB 4.05Å; I419-H445 PolarHBondContact N-NE2 2.97Å; I419-I447 HydrophobicContact CB-CG2 4.36Å; I419-I447 HydrophobicContact CD1-CG2 3.62Å; I419-I447 HydrophobicContact CG2-CG2 4.23Å; I419-F448 HydrophobicContact CD1-CD2 4.24Å; I419-F448 HydrophobicContact CD1-CE2 3.37Å; I419-F448 HydrophobicContact CD1-CZ 3.85Å
420	C	98.6	Very high	98.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.1	-45.8	178	-77.3	0	0	0	0	111	Y408 A416 S418 M422 L423 L424	Y408-C420 HydrophobicContact CE1-CB 3.59Å; Y408-C420 VanDerWaalsContact OH-CB 3.23Å; Y408-C420 WeakPolarHBondContact OH-CB 3.22Å; A416-C420 WeakPolarHBondContact O-CB 3.34Å; A416-C420 PolarHBondContact O-N 3.44Å; A416-C420 PolarHBondContact O-SG 2.9Å; S418-C420 PolarHBondContact O-N 3.4Å; C420-M422 VanDerWaalsContact C-N 3.3Å; C420-M422 PolarHBondContact O-N 3.25Å; C420-L423 PolarHBondContact O-N 2.95Å; C420-L424 WeakPolarHBondContact O-CB 3.38Å; C420-L424 VanDerWaalsContact O-CG 3.28Å; C420-L424 WeakPolarHBondContact O-CG 3.43Å; C420-L424 PolarHBondContact O-N 2.87Å
421	K	98.4	Very high	98.2	Very high	108 Å²	108	53.6 Å²	53.6	47%	0.47	27%	0.266	S	S	.	.	H	α-helix	trans	-59.9	-39.7	176.1	-75.7	-178.9	175.1	-172.8	0	112.7	E406 Y408 R417 S418 I419 L424 A425	E406-K421 WeakPolarHBondContact OE1-CG 3.24Å; Y408-K421 HydrophobicContact CE2-CD 4.32Å; Y408-K421 HydrophobicContact CE2-CG 3.75Å; Y408-K421 WeakPolarHBondContact OH-CG 3.29Å; Y408-K421 PolarHBondContact OH-N 3.18Å; R417-K421 HydrophobicContact CG-CD 4.25Å; R417-K421 WeakPolarHBondContact O-CG 3.32Å; R417-K421 PolarHBondContact O-N 3.06Å; R417-K421 VanDerWaalsContact O-N 3.09Å; S418-K421 PolarHBondContact O-N 3.25Å; I419-K421 PolarHBondContact O-N 3.1Å; K421-L424 CarbonylContact O-C 3.57Å; K421-A425 PolarHBondContact O-N 3.04Å; K421-A425 VanDerWaalsContact O-N 3.16Å
422	M	98.6	Very high	98.3	Very high	77 Å²	77	49.5 Å²	49.5	38%	0.379	25%	0.248	S	C	.	.	H	α-helix	trans	-72.1	-35.6	-179.4	-66.8	175.9	72.4	0	0	112.6	S418 I419 C420 L432	S418-M422 VanDerWaalsContact O-CG 3.3Å; S418-M422 WeakPolarHBondContact O-CG 3.5Å; S418-M422 PolarHBondContact O-N 3.44Å; S418-M422 VanDerWaalsContact O-N 3.1Å; I419-M422 PolarHBondContact O-N 3.36Å; C420-M422 VanDerWaalsContact C-N 3.3Å; C420-M422 PolarHBondContact O-N 3.25Å; M422-L432 HydrophobicContact CB-CB 3.92Å; M422-L432 HydrophobicContact CB-CD2 4.23Å; M422-L432 HydrophobicContact CE-CD1 3.95Å; M422-L432 HydrophobicContact CE-CD2 4.4Å; M422-L432 PolarHBondContact O-N 2.9Å
423	L	98.8	Very high	98.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-75.7	-33	173.5	-70.2	171	0	0	0	112.4	W368 L371 I419 C420 A425 R431 L432 V442	W368-L423 HydrophobicContact CB-CD2 4.17Å; L371-L423 HydrophobicContact CD2-CD1 4.26Å; L371-L423 HydrophobicContact CG-CD1 4.11Å; I419-L423 HydrophobicContact CD1-CD1 4.3Å; I419-L423 HydrophobicContact CG1-CD1 3.83Å; I419-L423 HydrophobicContact CG1-CG 4.21Å; I419-L423 WeakPolarHBondContact O-CG 3.41Å; I419-L423 PolarHBondContact O-N 3.05Å; C420-L423 PolarHBondContact O-N 2.95Å; L423-A425 VanDerWaalsContact C-N 3.26Å; L423-A425 PolarHBondContact O-N 3.4Å; L423-R431 WeakPolarHBondContact O-CD 3.33Å; L423-R431 WeakPolarHBondContact O-CG 3.48Å; L423-L432 HydrophobicContact CD2-CB 4.1Å; L423-L432 HydrophobicContact CD2-CD2 4.36Å; L423-L432 HydrophobicContact CD2-CG 4.46Å; L423-L432 HydrophobicContact CG-CD2 4.44Å; L423-V442 HydrophobicContact CD2-CG2 4.34Å
424	L	98.7	Very high	98.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	18.7	177.3	-63.4	173.3	0	0	0	112.8	W369 E406 C420 K421 K426	W369-L424 HydrophobicContact CD2-CD2 3.93Å; W369-L424 HydrophobicContact CE3-CB 4.49Å; W369-L424 HydrophobicContact CE3-CD2 4.01Å; W369-L424 HydrophobicContact CH2-CD2 4.11Å; W369-L424 HydrophobicContact CZ2-CD2 4.03Å; W369-L424 HydrophobicContact CZ3-CB 4.15Å; W369-L424 HydrophobicContact CZ3-CD2 4.12Å; W369-L424 WeakPolarHBondContact CZ3-O 3.18Å; E406-L424 HydrophobicContact CG-CD1 3.82Å; C420-L424 WeakPolarHBondContact O-CB 3.38Å; C420-L424 VanDerWaalsContact O-CG 3.28Å; C420-L424 WeakPolarHBondContact O-CG 3.43Å; C420-L424 PolarHBondContact O-N 2.87Å; K421-L424 CarbonylContact O-C 3.57Å; L424-K426 PolarHBondContact O-N 3.28Å; L424-K426 VanDerWaalsContact O-N 3.14Å
425	A	98.4	Very high	97.8	Very high	22 Å²	22	46.8 Å²	46.8	18%	0.182	24%	0.241	C	C	.	.			trans	-60.9	119.4	168.5	0	0	0	0	0	109.3	K421 L423 D427 R431	K421-A425 PolarHBondContact O-N 3.04Å; K421-A425 VanDerWaalsContact O-N 3.16Å; L423-A425 VanDerWaalsContact C-N 3.26Å; L423-A425 PolarHBondContact O-N 3.4Å; A425-D427 VanDerWaalsContact C-N 3.31Å; A425-D427 PolarHBondContact O-N 3.25Å; A425-R431 HydrophobicContact CB-CB 4.16Å; A425-R431 HydrophobicContact CB-CG 4.41Å; A425-R431 PolarHBondContact O-NE 3.41Å; A425-R431 PolarHBondContact O-NH2 3.43Å; A425-R431 VanDerWaalsContact O-NH2 3.09Å
426	K	98.1	Very high	97.4	Very high	36 Å²	36	46.4 Å²	46.4	16%	0.157	26%	0.261	C	S	.	.	S	Bend	trans	-66	-35.8	-175	-58.6	-169	-174.1	-60.9	0	112.7	P354 W369 V401 K402 V404 L424 P428 R431	P354-K426 HydrophobicContact CG-CB 4.09Å; P354-K426 HydrophobicContact CG-CG 4.37Å; W369-K426 HydrophobicContact CH2-CG 4.47Å; W369-K426 HydrophobicContact CZ3-CG 4.32Å; V401-K426 PolarHBondContact O-NZ 3.08Å; K402-K426 WeakPolarHBondContact O-CD 3.4Å; V404-K426 VanDerWaalsContact O-CE 3.3Å; V404-K426 WeakPolarHBondContact O-CE 3.48Å; V404-K426 PolarHBondContact O-NZ 2.95Å; L424-K426 PolarHBondContact O-N 3.28Å; L424-K426 VanDerWaalsContact O-N 3.14Å; K426-P428 WeakPolarHBondContact O-CD 3.46Å; K426-R431 PolarHBondContact O-NH2 3.14Å
427	D	97.8	Very high	97.1	Very high	62 Å²	62	48.2 Å²	48.2	33%	0.332	28%	0.28	S	S	.	.	S	Bend	trans	-76.1	113.4	171.1	178.7	-6.6	0	0	0	109.6	A425 T429 K430 R431	A425-D427 VanDerWaalsContact C-N 3.31Å; A425-D427 PolarHBondContact O-N 3.25Å; D427-T429 VanDerWaalsContact CG-OG1 3.23Å; D427-T429 PolarHBondContact O-N 3.43Å; D427-T429 WeakPolarHBondContact OD1-CB 3.44Å; D427-T429 PolarHBondContact OD1-N 3.42Å; D427-T429 PolarHBondContact OD1-OG1 2.77Å; D427-T429 PolarHBondContact OD2-OG1 2.96Å; D427-K430 HydrophobicContact CB-CB 4.44Å; D427-K430 HydrophobicContact CB-CD 4.28Å; D427-K430 HydrophobicContact CB-CG 4.39Å; D427-K430 PolarHBondContact O-N 2.91Å; D427-K430 VanDerWaalsContact O-N 3.1Å; D427-K430 WeakPolarHBondContact OD2-CD 3.3Å; D427-K430 VanDerWaalsContact OD2-CE 3.24Å; D427-K430 WeakPolarHBondContact OD2-CE 3.39Å; D427-K430 IonicContact OD2-NZ 3.63Å; D427-R431 PolarHBondContact O-N 3.09Å
428	P	97.3	Very high	97	Very high	31 Å²	31	44.7 Å²	44.7	20%	0.201	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-62.7	-24.9	-177.5	26.1	-34.3	0	0	0	112.8	K426 K430 R431 S434	K426-P428 WeakPolarHBondContact O-CD 3.46Å; P428-K430 PolarHBondContact O-N 3.48Å; P428-R431 PolarHBondContact O-N 3.25Å; P428-S434 VanDerWaalsContact O-CB 3.23Å; P428-S434 WeakPolarHBondContact O-CB 3.09Å
429	T	96.2	Very high	96.9	Very high	103 Å²	103	42.6 Å²	42.6	63%	0.632	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-73.6	-13.1	178.9	69.8	0	0	0	0	113.4	D427 L435	D427-T429 VanDerWaalsContact CG-OG1 3.23Å; D427-T429 PolarHBondContact O-N 3.43Å; D427-T429 WeakPolarHBondContact OD1-CB 3.44Å; D427-T429 PolarHBondContact OD1-N 3.42Å; D427-T429 PolarHBondContact OD1-OG1 2.77Å; D427-T429 PolarHBondContact OD2-OG1 2.96Å; T429-L435 VanDerWaalsContact O-CD2 3.25Å; T429-L435 WeakPolarHBondContact O-CD2 3.41Å
430	K	97.6	Very high	96.8	Very high	147 Å²	147	46.5 Å²	46.5	64%	0.639	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-110.1	-0.1	177.2	-61.4	178.7	-174.4	170.3	0	112.5	D427 P428	D427-K430 HydrophobicContact CB-CB 4.44Å; D427-K430 HydrophobicContact CB-CD 4.28Å; D427-K430 HydrophobicContact CB-CG 4.39Å; D427-K430 PolarHBondContact O-N 2.91Å; D427-K430 VanDerWaalsContact O-N 3.1Å; D427-K430 WeakPolarHBondContact OD2-CD 3.3Å; D427-K430 VanDerWaalsContact OD2-CE 3.24Å; D427-K430 WeakPolarHBondContact OD2-CE 3.39Å; D427-K430 IonicContact OD2-NZ 3.63Å; P428-K430 PolarHBondContact O-N 3.48Å
431	R	98.5	Very high	96.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-80.7	133.3	-174.7	-167	178.6	-60.9	145.1	8	110.7	E355 S365 L423 A425 K426 D427 P428 G433 S434	E355-R431 IonicContact OE1-CZ 2.82Å; E355-R431 IonicContact OE1-NH1 2.62Å; E355-R431 PolarHBondContact OE1-NH1 3Å; E355-R431 IonicContact OE1-NH2 3.2Å; E355-R431 IonicContact OE2-CZ 2.72Å; E355-R431 IonicContact OE2-NH1 2.77Å; E355-R431 PolarHBondContact OE2-NH1 3.49Å; E355-R431 IonicContact OE2-NH2 3.83Å; E355-R431 PolarHBondContact OE2-NH2 2.8Å; S365-R431 PolarHBondContact O-NH1 3Å; L423-R431 WeakPolarHBondContact O-CD 3.33Å; L423-R431 WeakPolarHBondContact O-CG 3.48Å; A425-R431 HydrophobicContact CB-CB 4.16Å; A425-R431 HydrophobicContact CB-CG 4.41Å; A425-R431 PolarHBondContact O-NE 3.41Å; A425-R431 PolarHBondContact O-NH2 3.43Å; A425-R431 VanDerWaalsContact O-NH2 3.09Å; K426-R431 PolarHBondContact O-NH2 3.14Å; D427-R431 PolarHBondContact O-N 3.09Å; P428-R431 PolarHBondContact O-N 3.25Å; R431-G433 PolarHBondContact O-N 2.97Å; R431-S434 WeakPolarHBondContact O-CA 3.33Å; R431-S434 WeakPolarHBondContact O-CB 3.33Å; R431-S434 PolarHBondContact O-N 3.03Å
432	L	98.4	Very high	96.8	Very high	9 Å²	9	43.1 Å²	43.1	5%	0.047	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	134.4	174.7	-173.4	66.6	0	0	0	110.4	I419 M422 L423 S434 E441 V442	I419-L432 HydrophobicContact CG1-CD2 4.16Å; M422-L432 HydrophobicContact CB-CB 3.92Å; M422-L432 HydrophobicContact CB-CD2 4.23Å; M422-L432 HydrophobicContact CE-CD1 3.95Å; M422-L432 HydrophobicContact CE-CD2 4.4Å; M422-L432 PolarHBondContact O-N 2.9Å; L423-L432 HydrophobicContact CD2-CB 4.1Å; L423-L432 HydrophobicContact CD2-CD2 4.36Å; L423-L432 HydrophobicContact CD2-CG 4.46Å; L423-L432 HydrophobicContact CG-CD2 4.44Å; L432-S434 VanDerWaalsContact C-N 3.32Å; L432-E441 HydrophobicContact CD1-CB 3.71Å; L432-V442 HydrophobicContact CD2-CG2 4.43Å; L432-V442 HydrophobicContact CG-CG2 4.04Å
433	G	97.6	Very high	96.7	Very high	6 Å²	6	41 Å²	41	6%	0.062	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-5.3	-172.2	0	0	0	0	0	114.1	W368 R431 G438 E441	W368-G433 VanDerWaalsContact CD1-O 3.32Å; W368-G433 PolarHBondContact NE1-O 3.05Å; R431-G433 PolarHBondContact O-N 2.97Å; G433-G438 WeakPolarHBondContact CA-O 3.45Å; G433-G438 WeakPolarHBondContact O-CA 3.32Å; G433-E441 WeakPolarHBondContact CA-OE2 3.22Å; G433-E441 PolarHBondContact N-OE2 3.08Å
434	S	96.6	Very high	96.7	Very high	39 Å²	39	44 Å²	44	27%	0.273	29%	0.292	S	S	.	.			trans	-120.4	11.8	-179.9	-50.9	0	0	0	0	113.2	S365 P428 R431 L432	S365-S434 WeakPolarHBondContact CB-OG 3.32Å; P428-S434 VanDerWaalsContact O-CB 3.23Å; P428-S434 WeakPolarHBondContact O-CB 3.09Å; R431-S434 WeakPolarHBondContact O-CA 3.33Å; R431-S434 WeakPolarHBondContact O-CB 3.33Å; R431-S434 PolarHBondContact O-N 3.03Å; L432-S434 VanDerWaalsContact C-N 3.32Å
435	L	91.8	Very high	96.7	Very high	105 Å²	105	44.7 Å²	44.7	55%	0.55	30%	0.295	S	S	.	.	S	Bend	trans	-91.4	1.3	-177.6	-48.1	175.3	0	0	0	113.6	T429 E441	T429-L435 VanDerWaalsContact O-CD2 3.25Å; T429-L435 WeakPolarHBondContact O-CD2 3.41Å; L435-E441 VanDerWaalsContact C-OE1 3.22Å; L435-E441 WeakPolarHBondContact CA-OE1 3.49Å; L435-E441 WeakPolarHBondContact CB-OE1 3.28Å; L435-E441 WeakPolarHBondContact CB-OE2 3.27Å; L435-E441 WeakPolarHBondContact CG-OE2 3.42Å; L435-E441 PolarHBondContact N-OE1 3.25Å; L435-E441 PolarHBondContact N-OE2 3.38Å
436	G	90.1	Very high	96.7	Very high	80 Å²	80	47.5 Å²	47.5	83%	0.825	31%	0.312	S	S	*	.	S	Bend	trans	117.6	-17.9	175.5	0	0	0	0	0	115.2	E441	G436-E441 PolarHBondContact N-OE1 3.02Å
437	G	91.5	Very high	96.7	Very high	39 Å²	39	46.5 Å²	46.5	40%	0.402	31%	0.308	S	S	.	.	S	Bend	trans	-96.9	-8.6	175.9	0	0	0	0	0	115.1	A439 S440 E441	G437-A439 PolarHBondContact O-N 3.36Å; G437-S440 WeakPolarHBondContact O-CB 3.27Å; G437-S440 PolarHBondContact O-N 3.38Å; G437-S440 PolarHBondContact O-OG 3.48Å; G437-E441 VanDerWaalsContact CA-OE1 3.29Å; G437-E441 WeakPolarHBondContact CA-OE1 3.13Å; G437-E441 PolarHBondContact N-OE1 3.49Å
438	G	95.9	Very high	96.7	Very high	23 Å²	23	43.8 Å²	43.8	24%	0.237	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	-134.4	173.3	0	0	0	0	0	112.5	G433 S440 E441	G433-G438 WeakPolarHBondContact CA-O 3.45Å; G433-G438 WeakPolarHBondContact O-CA 3.32Å; G438-S440 PolarHBondContact O-N 3.48Å; G438-S440 VanDerWaalsContact O-N 3.13Å; G438-E441 PolarHBondContact N-OE1 3.25Å; G438-E441 VanDerWaalsContact N-OE1 3.16Å; G438-E441 WeakPolarHBondContact O-CB 3.29Å; G438-E441 PolarHBondContact O-N 3.03Å; G438-E441 VanDerWaalsContact O-N 3.12Å
439	A	97.5	Very high	96.5	Very high	7 Å²	7	53 Å²	53	6%	0.058	32%	0.324	C	S	.	.	H	α-helix	trans	-57.1	-28.9	178.4	0	0	0	0	0	113.4	E300 W368 G437 E441 V442 K443	E300-A439 HydrophobicContact CB-CB 3.61Å; E300-A439 HydrophobicContact CG-CB 3.58Å; W368-A439 HydrophobicContact CH2-CB 3.8Å; W368-A439 HydrophobicContact CZ2-CB 4.11Å; G437-A439 PolarHBondContact O-N 3.36Å; A439-E441 PolarHBondContact O-N 2.92Å; A439-V442 PolarHBondContact O-N 3.03Å; A439-V442 VanDerWaalsContact O-N 3.09Å; A439-K443 WeakPolarHBondContact O-CB 3.47Å; A439-K443 VanDerWaalsContact O-CG 3.29Å; A439-K443 WeakPolarHBondContact O-CG 3.33Å; A439-K443 PolarHBondContact O-N 3.08Å
440	S	97.1	Very high	96.4	Very high	82 Å²	82	53.5 Å²	53.5	57%	0.573	33%	0.329	S	S	*	.	H	α-helix	trans	-60.1	-35.1	178.9	-55.8	0	0	0	0	112.3	G437 G438 G444	G437-S440 WeakPolarHBondContact O-CB 3.27Å; G437-S440 PolarHBondContact O-N 3.38Å; G437-S440 PolarHBondContact O-OG 3.48Å; G438-S440 PolarHBondContact O-N 3.48Å; G438-S440 VanDerWaalsContact O-N 3.13Å; S440-G444 PolarHBondContact O-N 3.32Å
441	E	96.9	Very high	96.3	Very high	37 Å²	37	47.8 Å²	47.8	17%	0.173	31%	0.305	C	S	.	.	H	α-helix	trans	-65.9	-45.3	175.4	-56.8	167.3	-155	0	0	110.9	L432 G433 L435 G436 G437 G438 A439 G444	L432-E441 HydrophobicContact CD1-CB 3.71Å; G433-E441 WeakPolarHBondContact CA-OE2 3.22Å; G433-E441 PolarHBondContact N-OE2 3.08Å; L435-E441 VanDerWaalsContact C-OE1 3.22Å; L435-E441 WeakPolarHBondContact CA-OE1 3.49Å; L435-E441 WeakPolarHBondContact CB-OE1 3.28Å; L435-E441 WeakPolarHBondContact CB-OE2 3.27Å; L435-E441 WeakPolarHBondContact CG-OE2 3.42Å; L435-E441 PolarHBondContact N-OE1 3.25Å; L435-E441 PolarHBondContact N-OE2 3.38Å; G436-E441 PolarHBondContact N-OE1 3.02Å; G437-E441 VanDerWaalsContact CA-OE1 3.29Å; G437-E441 WeakPolarHBondContact CA-OE1 3.13Å; G437-E441 PolarHBondContact N-OE1 3.49Å; G438-E441 PolarHBondContact N-OE1 3.25Å; G438-E441 VanDerWaalsContact N-OE1 3.16Å; G438-E441 WeakPolarHBondContact O-CB 3.29Å; G438-E441 PolarHBondContact O-N 3.03Å; G438-E441 VanDerWaalsContact O-N 3.12Å; A439-E441 PolarHBondContact O-N 2.92Å; E441-G444 PolarHBondContact O-N 3.05Å
442	V	98.5	Very high	96	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64.7	-48.5	-179.3	-177.1	0	0	0	0	110.1	W368 L371 L423 L432 A439 G444 H445 F448	W368-V442 HydrophobicContact CD2-CG2 4.25Å; W368-V442 HydrophobicContact CE3-CG2 3.88Å; W368-V442 HydrophobicContact CH2-CG2 4.36Å; W368-V442 HydrophobicContact CZ3-CG2 3.95Å; L371-V442 HydrophobicContact CD2-CG1 4.22Å; L423-V442 HydrophobicContact CD2-CG2 4.34Å; L432-V442 HydrophobicContact CD2-CG2 4.43Å; L432-V442 HydrophobicContact CG-CG2 4.04Å; A439-V442 PolarHBondContact O-N 3.03Å; A439-V442 VanDerWaalsContact O-N 3.09Å; V442-G444 PolarHBondContact O-N 3.39Å; V442-H445 WeakPolarHBondContact O-CB 3.47Å; V442-H445 PolarHBondContact O-N 2.98Å; V442-H445 VanDerWaalsContact O-N 3.13Å; V442-F448 HydrophobicContact CG1-CE2 4Å; V442-F448 WeakPolarHBondContact O-CD2 3.4Å; V442-F448 WeakPolarHBondContact O-CE2 3.42Å
443	K	98.2	Very high	95.8	Very high	34 Å²	34	50.2 Å²	50.2	15%	0.148	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-28.2	177.1	-66.6	-177.3	-179.9	176.3	0	112.7	E300 A439 H445 F453 E457	E300-K443 IonicContact OE1-NZ 3.53Å; E300-K443 PolarHBondContact OE1-NZ 3.3Å; E300-K443 IonicContact OE2-NZ 3.69Å; E300-K443 PolarHBondContact OE2-NZ 3.46Å; A439-K443 WeakPolarHBondContact O-CB 3.47Å; A439-K443 VanDerWaalsContact O-CG 3.29Å; A439-K443 WeakPolarHBondContact O-CG 3.33Å; A439-K443 PolarHBondContact O-N 3.08Å; K443-H445 VanDerWaalsContact C-N 3.3Å; K443-H445 PolarHBondContact O-N 3.11Å; K443-F453 HydrophobicContact CB-CD2 3.9Å; K443-F453 HydrophobicContact CB-CE1 4.46Å; K443-F453 HydrophobicContact CB-CE2 3.59Å; K443-F453 HydrophobicContact CB-CG 4.45Å; K443-F453 HydrophobicContact CB-CZ 3.92Å; K443-F453 HydrophobicContact CD-CB 4.34Å; K443-F453 HydrophobicContact CD-CD1 3.76Å; K443-F453 HydrophobicContact CD-CD2 4.1Å; K443-F453 HydrophobicContact CD-CE1 4.04Å; K443-F453 HydrophobicContact CD-CE2 4.35Å; K443-F453 HydrophobicContact CD-CG 3.79Å; K443-F453 HydrophobicContact CD-CZ 4.34Å; K443-F453 HydrophobicContact CG-CD1 3.91Å; K443-F453 HydrophobicContact CG-CD2 3.98Å; K443-F453 HydrophobicContact CG-CE1 3.66Å; K443-F453 HydrophobicContact CG-CE2 3.73Å; K443-F453 HydrophobicContact CG-CG 4.07Å; K443-F453 HydrophobicContact CG-CZ 3.58Å; K443-E457 IonicContact NZ-OE1 2.66Å; K443-E457 PolarHBondContact NZ-OE1 2.86Å
444	G	97.2	Very high	95.4	Very high	62 Å²	62	52.9 Å²	52.9	64%	0.639	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-8.1	177.5	0	0	0	0	0	114.9	S440 E441 V442	S440-G444 PolarHBondContact O-N 3.32Å; E441-G444 PolarHBondContact O-N 3.05Å; V442-G444 PolarHBondContact O-N 3.39Å
445	H	98.6	Very high	95.3	Very high	14 Å²	14	54 Å²	54	7%	0.065	33%	0.325	C	S	.	.	S	Bend	trans	-66.4	138.3	179.5	-172.6	-84.4	0	0	0	111.7	E415 I419 V442 K443 I447 F448	E415-H445 PolarHBondContact O-CE1 3.35Å; I419-H445 HydrophobicContact CD1-CB 4.05Å; I419-H445 PolarHBondContact N-NE2 2.97Å; V442-H445 WeakPolarHBondContact O-CB 3.47Å; V442-H445 PolarHBondContact O-N 2.98Å; V442-H445 VanDerWaalsContact O-N 3.13Å; K443-H445 VanDerWaalsContact C-N 3.3Å; K443-H445 PolarHBondContact O-N 3.11Å; H445-I447 HydrophobicContact CB-CG2 4.33Å; H445-I447 WeakPolarHBondContact ND1-CB 3.49Å; H445-I447 WeakPolarHBondContact ND1-CG2 3.49Å; H445-I447 PolarHBondContact ND1-N 3.27Å; H445-I447 VanDerWaalsContact ND1-N 3.17Å; H445-I447 PolarHBondContact O-N 3.32Å; H445-F448 HydrophobicContact CB-CD2 4.29Å; H445-F448 PolarHBondContact O-N 3.11Å
446	P	98.4	Very high	95.5	Very high	82 Å²	82	49 Å²	49	53%	0.532	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-53.2	-30.1	-176.3	-31.1	36.6	0	0	0	116.2	E415 F448 R449	E415-P446 HydrophobicContact CG-CB 4.45Å; P446-F448 PolarHBondContact O-N 3.32Å; P446-F448 VanDerWaalsContact O-N 3.14Å; P446-R449 VanDerWaalsContact O-CB 3.24Å; P446-R449 WeakPolarHBondContact O-CB 3.3Å; P446-R449 PolarHBondContact O-N 3.35Å
447	I	98.4	Very high	95.7	Very high	15 Å²	15	48.2 Å²	48.2	8%	0.077	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-55	-30.3	175.7	-163.2	67.5	0	0	0	112.8	V289 E415 A416 I419 H445 P450	V289-I447 HydrophobicContact CG1-CG1 4.28Å; V289-I447 HydrophobicContact CG2-CD1 3.99Å; V289-I447 HydrophobicContact CG2-CG1 3.58Å; E415-I447 HydrophobicContact CB-CB 4.19Å; E415-I447 HydrophobicContact CB-CD1 3.61Å; E415-I447 HydrophobicContact CB-CG1 4.46Å; A416-I447 HydrophobicContact CB-CD1 4.32Å; I419-I447 HydrophobicContact CB-CG2 4.36Å; I419-I447 HydrophobicContact CD1-CG2 3.62Å; I419-I447 HydrophobicContact CG2-CG2 4.23Å; H445-I447 HydrophobicContact CB-CG2 4.33Å; H445-I447 WeakPolarHBondContact ND1-CB 3.49Å; H445-I447 WeakPolarHBondContact ND1-CG2 3.49Å; H445-I447 PolarHBondContact ND1-N 3.27Å; H445-I447 VanDerWaalsContact ND1-N 3.17Å; H445-I447 PolarHBondContact O-N 3.32Å; I447-P450 WeakPolarHBondContact O-CD 3.26Å
448	F	98.3	Very high	95.8	Very high	5 Å²	5	47.8 Å²	47.8	2%	0.022	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-94.3	5.4	-179.2	-60.2	-63.4	0	0	0	113.6	V289 A292 A293 I419 V442 H445 P446 P450 I451 F453	V289-F448 HydrophobicContact CG1-CD1 3.77Å; V289-F448 HydrophobicContact CG1-CE1 3.92Å; A292-F448 HydrophobicContact CB-CE1 4.34Å; A292-F448 HydrophobicContact CB-CZ 4.35Å; A293-F448 HydrophobicContact CB-CD1 3.99Å; A293-F448 HydrophobicContact CB-CE1 3.87Å; I419-F448 HydrophobicContact CD1-CD2 4.24Å; I419-F448 HydrophobicContact CD1-CE2 3.37Å; I419-F448 HydrophobicContact CD1-CZ 3.85Å; V442-F448 HydrophobicContact CG1-CE2 4Å; V442-F448 WeakPolarHBondContact O-CD2 3.4Å; V442-F448 WeakPolarHBondContact O-CE2 3.42Å; H445-F448 HydrophobicContact CB-CD2 4.29Å; H445-F448 PolarHBondContact O-N 3.11Å; P446-F448 PolarHBondContact O-N 3.32Å; P446-F448 VanDerWaalsContact O-N 3.14Å; F448-P450 VanDerWaalsContact O-N 3.13Å; F448-I451 HydrophobicContact CD1-CG1 4.47Å; F448-I451 WeakPolarHBondContact O-CB 3.14Å; F448-I451 PolarHBondContact O-N 3.5Å; F448-F453 HydrophobicContact CB-CE2 3.76Å; F448-F453 HydrophobicContact CB-CZ 4.05Å; F448-F453 HydrophobicContact CD1-CZ 4.14Å; F448-F453 HydrophobicContact CD2-CZ 4.33Å; F448-F453 HydrophobicContact CG-CE2 4.16Å; F448-F453 AromaticContact CG-CZ 3.94Å; F448-F453 HydrophobicContact CG-CZ 3.94Å
449	R	94.1	Very high	95.7	Very high	224 Å²	224	48.1 Å²	48.1	85%	0.845	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-36.9	175.5	179.7	-178.4	-104	166.8	-5.8	113.5	P446 I451	P446-R449 VanDerWaalsContact O-CB 3.24Å; P446-R449 WeakPolarHBondContact O-CB 3.3Å; P446-R449 PolarHBondContact O-N 3.35Å; R449-I451 PolarHBondContact O-N 3Å
450	P	92.8	Very high	95.6	Very high	113 Å²	113	52 Å²	52	73%	0.734	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-9.4	176.1	-19.3	34.2	0	0	0	115.1	I447 F448	I447-P450 WeakPolarHBondContact O-CD 3.26Å; F448-P450 VanDerWaalsContact O-N 3.13Å
451	I	95.2	Very high	95.5	Very high	28 Å²	28	49.6 Å²	49.6	14%	0.144	27%	0.268	C	S	.	.			trans	-102.3	114.7	-173.7	-56.2	-61.1	0	0	0	110.3	F290 A293 F448 R449 F453 L456 L461	F290-I451 HydrophobicContact CD2-CD1 4.4Å; A293-I451 HydrophobicContact CB-CG2 4.16Å; F448-I451 HydrophobicContact CD1-CG1 4.47Å; F448-I451 WeakPolarHBondContact O-CB 3.14Å; F448-I451 PolarHBondContact O-N 3.5Å; R449-I451 PolarHBondContact O-N 3Å; I451-F453 HydrophobicContact CB-CE2 4.49Å; I451-F453 HydrophobicContact CG2-CD1 4.49Å; I451-F453 HydrophobicContact CG2-CD2 4.34Å; I451-F453 HydrophobicContact CG2-CE1 4.44Å; I451-F453 HydrophobicContact CG2-CE2 4.3Å; I451-F453 HydrophobicContact CG2-CG 4.44Å; I451-F453 HydrophobicContact CG2-CZ 4.34Å; I451-F453 PolarHBondContact O-N 3.49Å; I451-L456 HydrophobicContact CG2-CB 4.45Å; I451-L456 HydrophobicContact CG2-CD2 4.04Å; I451-L461 HydrophobicContact CG2-CD1 4.13Å
452	N	92.8	Very high	95.4	Very high	34 Å²	34	55 Å²	55	18%	0.182	29%	0.294	C	S	.	.			trans	-82.3	98.3	166.6	-172.9	-32.6	0	0	0	109.7	K139 K454 R455 L456	K139-N452 PolarHBondContact NZ-OD1 3.42Å; N452-K454 VanDerWaalsContact C-N 3.32Å; N452-K454 PolarHBondContact O-N 3.16Å; N452-K454 PolarHBondContact OD1-N 3.11Å; N452-R455 HydrophobicContact CB-CB 4.18Å; N452-R455 HydrophobicContact CB-CG 4.23Å; N452-R455 WeakPolarHBondContact O-CB 3.29Å; N452-R455 PolarHBondContact O-N 3.4Å; N452-R455 PolarHBondContact OD1-N 3.04Å; N452-L456 PolarHBondContact O-N 3.12Å
453	F	94.4	Very high	95.3	Very high	25 Å²	25	55.5 Å²	55.5	11%	0.11	30%	0.297	C	S	.	.	H	α-helix	trans	-57.2	-36.7	-175.4	-82.4	-81	0	0	0	114.6	A293 K443 F448 I451 R455 L456 E457	A293-F453 HydrophobicContact CB-CE1 3.82Å; A293-F453 HydrophobicContact CB-CZ 4Å; K443-F453 HydrophobicContact CB-CD2 3.9Å; K443-F453 HydrophobicContact CB-CE1 4.46Å; K443-F453 HydrophobicContact CB-CE2 3.59Å; K443-F453 HydrophobicContact CB-CG 4.45Å; K443-F453 HydrophobicContact CB-CZ 3.92Å; K443-F453 HydrophobicContact CD-CB 4.34Å; K443-F453 HydrophobicContact CD-CD1 3.76Å; K443-F453 HydrophobicContact CD-CD2 4.1Å; K443-F453 HydrophobicContact CD-CE1 4.04Å; K443-F453 HydrophobicContact CD-CE2 4.35Å; K443-F453 HydrophobicContact CD-CG 3.79Å; K443-F453 HydrophobicContact CD-CZ 4.34Å; K443-F453 HydrophobicContact CG-CD1 3.91Å; K443-F453 HydrophobicContact CG-CD2 3.98Å; K443-F453 HydrophobicContact CG-CE1 3.66Å; K443-F453 HydrophobicContact CG-CE2 3.73Å; K443-F453 HydrophobicContact CG-CG 4.07Å; K443-F453 HydrophobicContact CG-CZ 3.58Å; F448-F453 HydrophobicContact CB-CE2 3.76Å; F448-F453 HydrophobicContact CB-CZ 4.05Å; F448-F453 HydrophobicContact CD1-CZ 4.14Å; F448-F453 HydrophobicContact CD2-CZ 4.33Å; F448-F453 HydrophobicContact CG-CE2 4.16Å; F448-F453 AromaticContact CG-CZ 3.94Å; F448-F453 HydrophobicContact CG-CZ 3.94Å; I451-F453 HydrophobicContact CB-CE2 4.49Å; I451-F453 HydrophobicContact CG2-CD1 4.49Å; I451-F453 HydrophobicContact CG2-CD2 4.34Å; I451-F453 HydrophobicContact CG2-CE1 4.44Å; I451-F453 HydrophobicContact CG2-CE2 4.3Å; I451-F453 HydrophobicContact CG2-CG 4.44Å; I451-F453 HydrophobicContact CG2-CZ 4.34Å; I451-F453 PolarHBondContact O-N 3.49Å; F453-R455 VanDerWaalsContact C-N 3.3Å; F453-R455 PolarHBondContact O-N 3.05Å; F453-L456 HydrophobicContact CD1-CD2 4.12Å; F453-L456 HydrophobicContact CE1-CD2 4.24Å; F453-L456 WeakPolarHBondContact O-CB 3.43Å; F453-L456 PolarHBondContact O-N 3.27Å; F453-E457 VanDerWaalsContact O-CB 3.27Å; F453-E457 WeakPolarHBondContact O-CB 3.43Å; F453-E457 WeakPolarHBondContact O-CG 3.41Å; F453-E457 PolarHBondContact O-N 3.18Å
454	K	90	Very high	95.3	Very high	63 Å²	63	56.1 Å²	56.1	27%	0.274	30%	0.304	S	S	.	.	H	α-helix	trans	-65.5	-35.7	177	-71.9	-85	-166.1	159.1	0	111.8	K139 E140 N452 A458	K139-K454 HydrophobicContact CD-CB 4.28Å; K139-K454 HydrophobicContact CD-CG 3.74Å; E140-K454 IonicContact OE1-NZ 3.49Å; E140-K454 PolarHBondContact OE1-NZ 2.8Å; N452-K454 VanDerWaalsContact C-N 3.32Å; N452-K454 PolarHBondContact O-N 3.16Å; N452-K454 PolarHBondContact OD1-N 3.11Å; K454-A458 VanDerWaalsContact O-CB 3.3Å; K454-A458 WeakPolarHBondContact O-CB 3.45Å; K454-A458 PolarHBondContact O-N 3.28Å
455	R	93.8	Very high	95.2	Very high	61 Å²	61	55.2 Å²	55.2	23%	0.23	28%	0.283	C	S	.	.	H	α-helix	trans	-72.2	-36.1	173.4	-67.4	179	63.9	85.4	1	111.8	V92 N452 F453 A458 G459 M460 L461	V92-R455 WeakPolarHBondContact O-CG 3.33Å; V92-R455 PolarHBondContact O-NH1 3.22Å; N452-R455 HydrophobicContact CB-CB 4.18Å; N452-R455 HydrophobicContact CB-CG 4.23Å; N452-R455 WeakPolarHBondContact O-CB 3.29Å; N452-R455 PolarHBondContact O-N 3.4Å; N452-R455 PolarHBondContact OD1-N 3.04Å; F453-R455 VanDerWaalsContact C-N 3.3Å; F453-R455 PolarHBondContact O-N 3.05Å; R455-A458 CarbonylContact O-C 3.49Å; R455-A458 PolarHBondContact O-N 2.65Å; R455-G459 PolarHBondContact O-N 3.05Å; R455-G459 VanDerWaalsContact O-N 3.14Å; R455-M460 HydrophobicContact CB-CB 4.25Å; R455-M460 WeakPolarHBondContact O-CB 3.49Å; R455-M460 PolarHBondContact O-N 2.77Å; R455-L461 HydrophobicContact CB-CD2 3.89Å; R455-L461 HydrophobicContact CB-CG 4.1Å
456	L	96	Very high	95.1	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-49.8	172.9	-172.1	70	0	0	0	110.8	F245 F290 A293 E294 I451 N452 F453 A458 G459 L461	F245-L456 HydrophobicContact CZ-CG 4.37Å; F290-L456 HydrophobicContact CE2-CD1 3.84Å; F290-L456 HydrophobicContact CZ-CD1 3.82Å; A293-L456 HydrophobicContact CB-CD2 3.68Å; E294-L456 HydrophobicContact CG-CD1 3.79Å; E294-L456 HydrophobicContact CG-CD2 4.11Å; E294-L456 HydrophobicContact CG-CG 4.18Å; I451-L456 HydrophobicContact CG2-CB 4.45Å; I451-L456 HydrophobicContact CG2-CD2 4.04Å; N452-L456 PolarHBondContact O-N 3.12Å; F453-L456 HydrophobicContact CD1-CD2 4.12Å; F453-L456 HydrophobicContact CE1-CD2 4.24Å; F453-L456 WeakPolarHBondContact O-CB 3.43Å; F453-L456 PolarHBondContact O-N 3.27Å; L456-A458 PolarHBondContact O-N 3.47Å; L456-G459 PolarHBondContact O-N 3.2Å; L456-L461 HydrophobicContact CB-CD1 3.94Å; L456-L461 HydrophobicContact CB-CG 4.43Å; L456-L461 HydrophobicContact CD1-CB 4.24Å; L456-L461 HydrophobicContact CD1-CD1 4.07Å
457	E	95.1	Very high	94.9	Very high	63 Å²	63	55.5 Å²	55.5	29%	0.294	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.9	174.3	-71.7	163.4	-173.9	0	0	113.4	R244 F245 K443 F453	R244-E457 PolarHBondContact NH1-O 3.26Å; F245-E457 HydrophobicContact CE2-CG 4.28Å; K443-E457 IonicContact NZ-OE1 2.66Å; K443-E457 PolarHBondContact NZ-OE1 2.86Å; F453-E457 VanDerWaalsContact O-CB 3.27Å; F453-E457 WeakPolarHBondContact O-CB 3.43Å; F453-E457 WeakPolarHBondContact O-CG 3.41Å; F453-E457 PolarHBondContact O-N 3.18Å
458	A	92.4	Very high	94.7	Very high	30 Å²	30	58.7 Å²	58.7	25%	0.248	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-7.4	170.4	0	0	0	0	0	113.2	V92 R244 K454 R455 L456 M460	V92-A458 HydrophobicContact CG1-CB 3.8Å; R244-A458 PolarHBondContact NH2-O 2.88Å; K454-A458 VanDerWaalsContact O-CB 3.3Å; K454-A458 WeakPolarHBondContact O-CB 3.45Å; K454-A458 PolarHBondContact O-N 3.28Å; R455-A458 CarbonylContact O-C 3.49Å; R455-A458 PolarHBondContact O-N 2.65Å; L456-A458 PolarHBondContact O-N 3.47Å; A458-M460 HydrophobicContact CB-CE 4.23Å; A458-M460 HydrophobicContact CB-CG 3.88Å; A458-M460 HydrophobicContact CB-SD 4.16Å
459	G	94.3	Very high	94.2	Very high	30 Å²	30	62.5 Å²	62.5	31%	0.309	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	26.8	-177.4	0	0	0	0	0	113	R244 R455 L456	R244-G459 VanDerWaalsContact NH1-N 3.16Å; R455-G459 PolarHBondContact O-N 3.05Å; R455-G459 VanDerWaalsContact O-N 3.14Å; L456-G459 PolarHBondContact O-N 3.2Å
460	M	94.4	Very high	94	Very high	88 Å²	88	56.7 Å²	56.7	43%	0.433	31%	0.305	S	S	.	.			trans	-99.2	-5.7	-175.2	-63.7	-172.9	172.6	0	0	113.9	V92 R455 A458	V92-M460 HydrophobicContact CB-CE 4.12Å; V92-M460 HydrophobicContact CB-SD 3.8Å; V92-M460 HydrophobicContact CG1-CE 4.41Å; V92-M460 HydrophobicContact CG1-SD 4.38Å; V92-M460 HydrophobicContact CG2-CE 3.63Å; V92-M460 HydrophobicContact CG2-SD 3.84Å; R455-M460 HydrophobicContact CB-CB 4.25Å; R455-M460 WeakPolarHBondContact O-CB 3.49Å; R455-M460 PolarHBondContact O-N 2.77Å; A458-M460 HydrophobicContact CB-CE 4.23Å; A458-M460 HydrophobicContact CB-CG 3.88Å; A458-M460 HydrophobicContact CB-SD 4.16Å
461	L	95.1	Very high	93.8	Very high	33 Å²	33	52.7 Å²	52.7	17%	0.173	28%	0.281	C	S	.	.	S	Bend	trans	-92.6	130	174.8	-60.3	-170.6	0	0	0	109.5	F290 H324 I451 R455 L456 P463	F290-L461 HydrophobicContact CE2-CB 3.96Å; H324-L461 PolarHBondContact CE1-O 3.46Å; H324-L461 VanDerWaalsContact CE1-O 3.27Å; I451-L461 HydrophobicContact CG2-CD1 4.13Å; R455-L461 HydrophobicContact CB-CD2 3.89Å; R455-L461 HydrophobicContact CB-CG 4.1Å; L456-L461 HydrophobicContact CB-CD1 3.94Å; L456-L461 HydrophobicContact CB-CG 4.43Å; L456-L461 HydrophobicContact CD1-CB 4.24Å; L456-L461 HydrophobicContact CD1-CD1 4.07Å; L461-P463 WeakPolarHBondContact O-CD 3.44Å
462	Q	95.8	Very high	93.5	Very high	150 Å²	150	53.2 Å²	53.2	70%	0.701	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-74.1	127.2	176.9	-69.5	-65.3	-37.7	0	0	110.1
463	P	97.1	Very high	93.1	Very high	11 Å²	11	53 Å²	53	7%	0.071	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-61.5	145.4	174.2	-26.7	38.3	0	0	0	112	F290 H322 H324 L461 F465	F290-P463 HydrophobicContact CE1-CB 3.86Å; F290-P463 HydrophobicContact CE1-CG 3.96Å; F290-P463 HydrophobicContact CZ-CB 4.15Å; F290-P463 HydrophobicContact CZ-CG 3.99Å; H322-P463 WeakPolarHBondContact O-CG 3.32Å; H324-P463 VanDerWaalsContact CE1-CG 3.48Å; H324-P463 WeakPolarHBondContact CE1-CG 3.47Å; L461-P463 WeakPolarHBondContact O-CD 3.44Å; P463-F465 PolarHBondContact O-N 3.39Å
464	P	96.8	Very high	92.5	Very high	47 Å²	47	53 Å²	53	31%	0.305	29%	0.285	S	S	.	.	S	Bend	trans	-72.6	-11	178.4	27.2	-31.7	0	0	0	113.4	R287 F290	R287-P464 HydrophobicContact CB-CG 4.02Å; R287-P464 HydrophobicContact CG-CG 4.2Å; F290-P464 HydrophobicContact CB-CG 3.9Å; F290-P464 HydrophobicContact CD1-CG 4.42Å; F290-P464 VanDerWaalsContact CG-CD 3.49Å; F290-P464 HydrophobicContact CG-CG 4.12Å
465	F	96.1	Very high	92.2	Very high	43 Å²	43	57 Å²	57	19%	0.189	30%	0.303	C	S	.	.			trans	-139.5	130.5	176.7	170.2	-89.3	0	0	0	109.5	H274 M278 R287 L319 G323 P463 P467	H274-F465 AromaticContact CE1-CE1 3.4Å; H274-F465 WeakPolarHBondContact CE1-CE1 3.38Å; H274-F465 AromaticContact CE1-CZ 3.8Å; H274-F465 AromaticContact ND1-CE1 3.73Å; M278-F465 HydrophobicContact CE-CE2 3.71Å; M278-F465 HydrophobicContact CE-CZ 3.64Å; M278-F465 HydrophobicContact SD-CZ 4.29Å; R287-F465 VanDerWaalsContact CZ-CG 3.5Å; L319-F465 HydrophobicContact CD2-CD1 4.07Å; L319-F465 HydrophobicContact CD2-CE1 4.18Å; G323-F465 WeakPolarHBondContact CA-O 3.33Å; P463-F465 PolarHBondContact O-N 3.39Å; F465-P467 HydrophobicContact CE1-CB 4.23Å; F465-P467 HydrophobicContact CE1-CG 3.87Å
466	I	96.1	Very high	91.7	Very high	98 Å²	98	57.9 Å²	57.9	50%	0.503	31%	0.312	S	S	.	.			trans	-116.1	123.3	176.4	-55.7	178.9	0	0	0	107.5
467	P	94.4	Very high	91	Very high	4 Å²	4	59.8 Å²	59.8	3%	0.026	32%	0.324	C	S	.	.			trans	-60.9	147.9	175.8	-20	30.4	0	0	0	112.3	L319 D320 F465 P469 Y473	L319-P467 HydrophobicContact CB-CG 4.42Å; L319-P467 HydrophobicContact CD2-CG 4.24Å; D320-P467 WeakPolarHBondContact O-CG 3.38Å; F465-P467 HydrophobicContact CE1-CB 4.23Å; F465-P467 HydrophobicContact CE1-CG 3.87Å; P467-P469 WeakPolarHBondContact O-CD 3.3Å; P467-Y473 HydrophobicContact CB-CD2 4.24Å; P467-Y473 HydrophobicContact CB-CE2 3.54Å
468	D	92.9	Very high	90.4	Very high	82 Å²	82	61 Å²	61	44%	0.439	33%	0.331	S	S	.	.			trans	-68.8	121	173.2	179.4	-6.8	0	0	0	109.6	Q470 A471 Y473	D468-Q470 PolarHBondContact O-N 2.86Å; D468-Q470 WeakPolarHBondContact OD1-CB 3.19Å; D468-Q470 PolarHBondContact OD1-N 2.95Å; D468-A471 HydrophobicContact CB-CB 3.85Å; D468-A471 PolarHBondContact O-N 2.82Å; D468-Y473 PolarHBondContact N-OH 3.27Å
469	P	88.6	Confident	89.9	Confident	84 Å²	84	64.8 Å²	64.8	55%	0.545	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.9	180	25.9	-35.3	0	0	0	113.6	R16 P467	R16-P469 PolarHBondContact NH1-O 3.48Å; P467-P469 WeakPolarHBondContact O-CD 3.3Å
470	Q	89.9	Confident	89.3	Confident	103 Å²	103	64.3 Å²	64.3	48%	0.481	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-11.2	177.4	-63.6	-63.4	-33.1	0	0	112.8	E17 D468	E17-Q470 PolarHBondContact OE1-NE2 3.2Å; D468-Q470 PolarHBondContact O-N 2.86Å; D468-Q470 WeakPolarHBondContact OD1-CB 3.19Å; D468-Q470 PolarHBondContact OD1-N 2.95Å
471	A	88.8	Confident	88.6	Confident	28 Å²	28	66.9 Å²	66.9	23%	0.231	35%	0.349	C	S	.	.			trans	-86.2	151.8	175.9	0	0	0	0	0	111.8	R16 D468 Y473	R16-A471 PolarHBondContact NH1-O 3.37Å; D468-A471 HydrophobicContact CB-CB 3.85Å; D468-A471 PolarHBondContact O-N 2.82Å; A471-Y473 HydrophobicContact CB-CD2 4.26Å; A471-Y473 HydrophobicContact CB-CE2 3.61Å
472	I	87.8	Confident	87.8	Confident	40 Å²	40	73.9 Å²	73.9	21%	0.205	38%	0.38	C	S	.	.			trans	-115.4	108.3	168.2	-58	172	0	0	0	108.2	N9 L12 L13 R190 A474	N9-I472 HydrophobicContact CB-CD1 3.43Å; N9-I472 VanDerWaalsContact CB-CD1 3.43Å; N9-I472 VanDerWaalsContact CG-CD1 3.43Å; L12-I472 HydrophobicContact CD2-CD1 4.47Å; L13-I472 HydrophobicContact CD2-CD1 4.5Å; L13-I472 HydrophobicContact CD2-CG1 4.06Å; L13-I472 HydrophobicContact CG-CD1 4.22Å; L13-I472 HydrophobicContact CG-CG1 4.33Å; R190-I472 VanDerWaalsContact NH1-CG2 3.28Å; I472-A474 HydrophobicContact CG2-CB 4.04Å; I472-A474 PolarHBondContact O-N 3.43Å
473	Y	86.3	Confident	86.8	Confident	29 Å²	29	69.2 Å²	69.2	11%	0.114	36%	0.358	C	S	.	.			trans	-83.9	54.8	-179.8	-62.1	-86.7	0	0	0	111.4	G268 G269 F273 M278 P467 D468 A471	G268-Y473 VanDerWaalsContact O-CB 3.29Å; G268-Y473 WeakPolarHBondContact O-CB 3.31Å; G269-Y473 WeakPolarHBondContact CA-O 3.23Å; F273-Y473 HydrophobicContact CD1-CD1 4.04Å; F273-Y473 AromaticContact CE1-CD1 3.78Å; F273-Y473 HydrophobicContact CE1-CD1 3.78Å; M278-Y473 HydrophobicContact CE-CE1 4.38Å; M278-Y473 HydrophobicContact SD-CD1 4.42Å; M278-Y473 HydrophobicContact SD-CE1 3.99Å; P467-Y473 HydrophobicContact CB-CD2 4.24Å; P467-Y473 HydrophobicContact CB-CE2 3.54Å; D468-Y473 PolarHBondContact N-OH 3.27Å; A471-Y473 HydrophobicContact CB-CD2 4.26Å; A471-Y473 HydrophobicContact CB-CE2 3.61Å
474	A	81.2	Confident	86	Confident	26 Å²	26	73.4 Å²	73.4	22%	0.215	39%	0.387	C	S	.	.	S	Bend	trans	-143.3	155.9	177.1	0	0	0	0	0	110.1	I472	I472-A474 HydrophobicContact CG2-CB 4.04Å; I472-A474 PolarHBondContact O-N 3.43Å
475	K	82.5	Confident	85.4	Confident	147 Å²	147	76.8 Å²	76.8	64%	0.639	41%	0.407	S	S	*	.			trans	-58.8	156.5	173	-67	-177.4	178	-176.7	0	111.3	R190 D479 I480	R190-K475 PolarHBondContact NH2-O 3.37Å; K475-D479 HydrophobicContact CB-CB 4.45Å; K475-I480 HydrophobicContact CB-CG1 4.22Å
476	D	84.2	Confident	84.9	Confident	78 Å²	78	75.3 Å²	75.3	42%	0.417	40%	0.402	S	S	.	.			trans	-60.1	144.3	171.5	-76	-18.1	0	0	0	110.9	N5 L478 D479 I480	N5-D476 PolarHBondContact ND2-OD1 3.47Å; D476-L478 PolarHBondContact O-N 3.08Å; D476-L478 VanDerWaalsContact O-N 3.08Å; D476-D479 HydrophobicContact CB-CB 4.46Å; D476-D479 WeakPolarHBondContact O-CB 3.44Å; D476-D479 PolarHBondContact O-N 3.33Å; D476-I480 PolarHBondContact O-N 3.33Å
477	V	81.9	Confident	84.6	Confident	42 Å²	42	79.2 Å²	79.2	26%	0.255	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-55.9	-33.8	-173.4	175.7	0	0	0	0	112	N5 R190 I480	N5-V477 PolarHBondContact OD1-N 2.94Å; R190-V477 HydrophobicContact CB-CG2 4.36Å; V477-I480 PolarHBondContact O-N 2.98Å
478	L	80.9	Confident	84.4	Confident	88 Å²	88	83.3 Å²	83.3	46%	0.461	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-77.1	-24.1	179.5	-60	176.2	0	0	0	113.2	M1 D476 I480	M1-L478 HydrophobicContact CB-CD1 4.1Å; M1-L478 HydrophobicContact CG-CD1 4.17Å; D476-L478 PolarHBondContact O-N 3.08Å; D476-L478 VanDerWaalsContact O-N 3.08Å; L478-I480 VanDerWaalsContact C-N 3.28Å
479	D	83.3	Confident	84.3	Confident	109 Å²	109	80.5 Å²	80.5	58%	0.583	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-83.5	-8.2	176.2	-67.5	-22.8	0	0	0	112.4	K475 D476 E481	K475-D479 HydrophobicContact CB-CB 4.45Å; D476-D479 HydrophobicContact CB-CB 4.46Å; D476-D479 WeakPolarHBondContact O-CB 3.44Å; D476-D479 PolarHBondContact O-N 3.33Å; D479-E481 PolarHBondContact O-N 2.89Å
480	I	81.3	Confident	84.5	Confident	21 Å²	21	84.6 Å²	84.6	11%	0.108	46%	0.455	C	S	.	.	S	Bend	trans	-79.1	102.7	171.6	-57.9	174.7	0	0	0	107.6	V191 K194 K475 D476 V477 L478 Q482	V191-I480 HydrophobicContact CB-CD1 4.27Å; V191-I480 HydrophobicContact CG1-CD1 3.87Å; V191-I480 HydrophobicContact CG1-CG2 4.22Å; K194-I480 HydrophobicContact CB-CG2 4.03Å; K475-I480 HydrophobicContact CB-CG1 4.22Å; D476-I480 PolarHBondContact O-N 3.33Å; V477-I480 PolarHBondContact O-N 2.98Å; L478-I480 VanDerWaalsContact C-N 3.28Å; I480-Q482 PolarHBondContact O-N 3.38Å
481	E	80.1	Confident	84.6	Confident	141 Å²	141	82.7 Å²	82.7	66%	0.659	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-48.6	121.8	-178.9	-68.4	-180	178.7	0	0	112.9	K194 D479	K194-E481 HydrophobicContact CD-CB 4.19Å; K194-E481 WeakPolarHBondContact CD-O 3.41Å; K194-E481 VanDerWaalsContact CE-O 3.22Å; K194-E481 WeakPolarHBondContact CE-O 3.2Å; K194-E481 PolarHBondContact NZ-O 2.87Å; K194-E481 IonicContact NZ-OE2 3.75Å; K194-E481 PolarHBondContact NZ-OE2 2.85Å; D479-E481 PolarHBondContact O-N 2.89Å
482	Q	77.8	Confident	84.7	Confident	180 Å²	180	84.5 Å²	84.5	84%	0.841	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-73.6	146.1	173.8	-65.3	-175.7	-1.6	0	0	111.4	I480	I480-Q482 PolarHBondContact O-N 3.38Å
483	F	74.7	Confident	84.8	Confident	53 Å²	53	87.5 Å²	87.5	23%	0.232	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-78.4	143.9	170.9	-79.8	-67	0	0	0	111.3	K194 G195 R221	K194-F483 HydrophobicContact CD-CE2 4.04Å; K194-F483 HydrophobicContact CD-CZ 4.09Å; K194-F483 HydrophobicContact CG-CD2 4.31Å; K194-F483 HydrophobicContact CG-CE2 3.56Å; K194-F483 HydrophobicContact CG-CZ 3.89Å; G195-F483 WeakPolarHBondContact O-CE2 3.39Å; G195-F483 WeakPolarHBondContact O-CZ 3.31Å; R221-F483 VanDerWaalsContact CZ-CD1 3.48Å; R221-F483 VanDerWaalsContact CZ-CG 3.45Å; R221-F483 VanDerWaalsContact NH2-CB 3.25Å
484	S	80.8	Confident	84.9	Confident	98 Å²	98	94.6 Å²	94.6	69%	0.685	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-64.3	138.5	164.5	54.1	0	0	0	0	110.6	R221 V486	R221-S484 PolarHBondContact NH2-O 3.29Å; S484-V486 PolarHBondContact O-N 3.2Å
485	T	83.7	Confident	85.3	Confident	119 Å²	119	93.9 Å²	93.9	73%	0.73	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-60.1	131.4	176.8	-43.3	0	0	0	0	110.2	K487	T485-K487 PolarHBondContact O-N 2.75Å
486	V	86.6	Confident	85.4	Confident	12 Å²	12	93.1 Å²	93.1	7%	0.073	50%	0.499	C	S	.	.			trans	-77.5	106.8	175.4	-177.7	0	0	0	0	109.5	K220 R221 K224 S484 V489	K220-V486 HydrophobicContact CB-CB 4.06Å; K220-V486 HydrophobicContact CB-CG1 4.07Å; R221-V486 HydrophobicContact CB-CG2 4.22Å; K224-V486 HydrophobicContact CB-CG1 4.3Å; K224-V486 HydrophobicContact CD-CG1 3.74Å; S484-V486 PolarHBondContact O-N 3.2Å; V486-V489 HydrophobicContact CG1-CB 4Å; V486-V489 HydrophobicContact CG1-CG2 3.57Å
487	K	88.1	Confident	85.5	Confident	180 Å²	180	92.4 Å²	92.4	78%	0.783	50%	0.5	S	S	*	.			trans	-95.8	155.4	172.9	-63	-174.7	179.4	-177.4	0	111.1	T485 V489	T485-K487 PolarHBondContact O-N 2.75Å; K487-V489 VanDerWaalsContact C-N 3.34Å; K487-V489 PolarHBondContact O-N 3.5Å
488	G	90.1	Very high	85.8	Confident	89 Å²	89	91.9 Å²	91.9	92%	0.918	50%	0.495	S	S	*	.	S	Bend	trans	72.1	21.7	174.8	0	0	0	0	0	115.1
489	V	92.2	Very high	86	Confident	24 Å²	24	87.8 Å²	87.8	15%	0.145	47%	0.473	C	S	.	.			trans	-123.8	118	175.9	-179.8	0	0	0	0	108.5	K220 K223 K224 V486 K487	K220-V489 HydrophobicContact CB-CB 4.49Å; K220-V489 HydrophobicContact CB-CG1 4.35Å; K220-V489 WeakPolarHBondContact CE-O 3.39Å; K220-V489 HydrophobicContact CG-CG1 4.48Å; K223-V489 HydrophobicContact CB-CG1 4.16Å; K223-V489 HydrophobicContact CD-CG1 3.89Å; K223-V489 HydrophobicContact CG-CG1 4.11Å; K224-V489 HydrophobicContact CB-CG2 4.27Å; V486-V489 HydrophobicContact CG1-CB 4Å; V486-V489 HydrophobicContact CG1-CG2 3.57Å; K487-V489 VanDerWaalsContact C-N 3.34Å; K487-V489 PolarHBondContact O-N 3.5Å
490	E	92.1	Very high	86.1	Confident	169 Å²	169	85.8 Å²	85.8	79%	0.79	47%	0.468	S	S	*	.			trans	-105.8	142.3	173.6	-64.7	-174.6	172.8	0	0	109.4	K223	K223-E490 WeakPolarHBondContact CE-O 3.32Å; K223-E490 PolarHBondContact NZ-O 2.59Å
491	L	91.9	Very high	86.5	Confident	64 Å²	64	90.8 Å²	90.8	34%	0.335	49%	0.489	S	S	.	.			trans	-87.1	139.4	174.7	-59.2	177.4	0	0	0	108.2	K219 K223 D495 Y499	K219-L491 HydrophobicContact CB-CD1 3.92Å; K219-L491 HydrophobicContact CB-CD2 4.24Å; K219-L491 HydrophobicContact CD-CD1 4.05Å; K223-L491 HydrophobicContact CD-CD2 4.12Å; L491-D495 VanDerWaalsContact CA-OD2 3.29Å; L491-D495 WeakPolarHBondContact CA-OD2 3.4Å; L491-D495 HydrophobicContact CD2-CB 4.48Å; L491-Y499 HydrophobicContact CD1-CE2 4.22Å; L491-Y499 HydrophobicContact CD2-CE2 4.16Å
492	D	91.3	Very high	86.8	Confident	65 Å²	65	84.2 Å²	84.2	35%	0.348	46%	0.458	S	S	.	.			trans	-120.1	169	179.9	69.5	57.3	0	0	0	110.7	K223 K494 D495 E496	K223-D492 IonicContact NZ-OD2 3.78Å; K223-D492 PolarHBondContact NZ-OD2 2.95Å; D492-K494 PolarHBondContact O-N 3.33Å; D492-K494 VanDerWaalsContact O-N 3.09Å; D492-K494 VanDerWaalsContact OD1-CB 3.26Å; D492-K494 WeakPolarHBondContact OD1-CB 3.46Å; D492-K494 PolarHBondContact OD1-N 3.17Å; D492-D495 PolarHBondContact N-OD2 3.43Å; D492-D495 VanDerWaalsContact O-CB 3.3Å; D492-D495 WeakPolarHBondContact O-CB 3.39Å; D492-D495 PolarHBondContact O-N 3.17Å; D492-E496 PolarHBondContact O-N 3.3Å
493	P	90.5	Very high	87.4	Confident	104 Å²	104	77.1 Å²	77.1	68%	0.675	43%	0.428	S	S	*	.	H	α-helix	trans	-59.2	-23.4	-175.6	-28	36.6	0	0	0	115.4	D495 E496 S497	P493-D495 VanDerWaalsContact C-N 3.31Å; P493-E496 PolarHBondContact O-N 2.91Å; P493-S497 PolarHBondContact O-N 3.06Å
494	K	88.3	Confident	88.4	Confident	177 Å²	177	77.9 Å²	77.9	77%	0.77	44%	0.437	S	S	*	.	H	α-helix	trans	-70.3	-33.5	175.7	-62.5	178.9	177.5	176.5	0	110.9	D492 F498	D492-K494 PolarHBondContact O-N 3.33Å; D492-K494 VanDerWaalsContact O-N 3.09Å; D492-K494 VanDerWaalsContact OD1-CB 3.26Å; D492-K494 WeakPolarHBondContact OD1-CB 3.46Å; D492-K494 PolarHBondContact OD1-N 3.17Å; K494-F498 PolarHBondContact O-N 3.42Å
495	D	88.7	Confident	89.2	Confident	12 Å²	12	73.8 Å²	73.8	6%	0.064	41%	0.411	C	S	.	.	H	α-helix	trans	-65.5	-41.8	175.2	-55.5	-52.2	0	0	0	110.8	K223 L491 D492 P493 S497 F498 Y499	K223-D495 WeakPolarHBondContact CD-OD2 3.3Å; K223-D495 WeakPolarHBondContact CE-OD2 3.39Å; K223-D495 IonicContact NZ-OD1 3.34Å; K223-D495 IonicContact NZ-OD2 2.84Å; K223-D495 PolarHBondContact NZ-OD2 2.95Å; L491-D495 VanDerWaalsContact CA-OD2 3.29Å; L491-D495 WeakPolarHBondContact CA-OD2 3.4Å; L491-D495 HydrophobicContact CD2-CB 4.48Å; D492-D495 PolarHBondContact N-OD2 3.43Å; D492-D495 VanDerWaalsContact O-CB 3.3Å; D492-D495 WeakPolarHBondContact O-CB 3.39Å; D492-D495 PolarHBondContact O-N 3.17Å; P493-D495 VanDerWaalsContact C-N 3.31Å; D495-S497 PolarHBondContact O-N 2.74Å; D495-F498 WeakPolarHBondContact O-CB 3.43Å; D495-F498 PolarHBondContact O-N 3.4Å; D495-F498 VanDerWaalsContact O-N 3.08Å; D495-Y499 HydrophobicContact CB-CD2 4.22Å; D495-Y499 HydrophobicContact CB-CE2 3.57Å; D495-Y499 WeakPolarHBondContact O-CD2 3.34Å; D495-Y499 PolarHBondContact O-N 3.25Å
496	E	85	Confident	89.8	Confident	130 Å²	130	69.1 Å²	69.1	61%	0.607	38%	0.383	S	S	*	.	H	α-helix	trans	-62.6	-42.3	178.2	-65.7	-173.3	164.2	0	0	112.1	D492 P493 F498 Y499 S500	D492-E496 PolarHBondContact O-N 3.3Å; P493-E496 PolarHBondContact O-N 2.91Å; E496-F498 PolarHBondContact O-N 3.13Å; E496-Y499 PolarHBondContact O-N 2.94Å; E496-S500 PolarHBondContact O-N 2.82Å; E496-S500 PolarHBondContact O-OG 3.25Å
497	S	86.1	Confident	90.4	Very high	64 Å²	64	69.2 Å²	69.2	45%	0.448	38%	0.384	S	S	.	.	H	α-helix	trans	-60.5	-30.7	173.5	-174.8	0	0	0	0	112.9	P493 D495 S500 K501	P493-S497 PolarHBondContact O-N 3.06Å; D495-S497 PolarHBondContact O-N 2.74Å; S497-S500 PolarHBondContact O-OG 3.44Å; S497-K501 WeakPolarHBondContact O-CG 3.38Å
498	F	87.6	Confident	90.8	Very high	30 Å²	30	61.9 Å²	61.9	13%	0.132	36%	0.355	C	S	.	.	H	α-helix	trans	-76.9	-45.6	174.4	167	-95.2	0	0	0	111.8	E228 L232 L259 K494 D495 E496 S500 K501 V502	E228-F498 HydrophobicContact CB-CD1 4.2Å; E228-F498 HydrophobicContact CB-CD2 4.04Å; E228-F498 HydrophobicContact CB-CE1 3.89Å; E228-F498 HydrophobicContact CB-CE2 3.66Å; E228-F498 HydrophobicContact CB-CG 4.31Å; E228-F498 HydrophobicContact CB-CZ 3.63Å; E228-F498 HydrophobicContact CG-CD1 4.11Å; E228-F498 HydrophobicContact CG-CE1 4.09Å; E228-F498 HydrophobicContact CG-CG 4.43Å; E228-F498 HydrophobicContact CG-CZ 4.34Å; E228-F498 VanDerWaalsContact O-CE2 3.28Å; E228-F498 WeakPolarHBondContact O-CE2 3.34Å; E228-F498 WeakPolarHBondContact O-CZ 3.13Å; L232-F498 HydrophobicContact CB-CE2 3.7Å; L232-F498 HydrophobicContact CB-CZ 4Å; L232-F498 HydrophobicContact CD2-CE2 4.1Å; L232-F498 HydrophobicContact CG-CE2 4.44Å; L259-F498 HydrophobicContact CD1-CE1 4.22Å; K494-F498 PolarHBondContact O-N 3.42Å; D495-F498 WeakPolarHBondContact O-CB 3.43Å; D495-F498 PolarHBondContact O-N 3.4Å; D495-F498 VanDerWaalsContact O-N 3.08Å; E496-F498 PolarHBondContact O-N 3.13Å; F498-S500 VanDerWaalsContact C-N 3.3Å; F498-S500 PolarHBondContact O-N 3.17Å; F498-K501 WeakPolarHBondContact O-CB 3.46Å; F498-K501 PolarHBondContact O-N 2.73Å; F498-K501 VanDerWaalsContact O-N 3.1Å; F498-V502 HydrophobicContact CE1-CG2 4.14Å; F498-V502 HydrophobicContact CE2-CG2 4.45Å; F498-V502 HydrophobicContact CZ-CG2 3.89Å
499	Y	86.3	Confident	91.1	Very high	3 Å²	3	58.9 Å²	58.9	1%	0.012	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-32.1	-177.4	-62.2	-32	0	0	0	113.4	K219 E254 L259 L491 D495 E496 K501 V502 S503	K219-Y499 HydrophobicContact CB-CE1 4.45Å; K219-Y499 HydrophobicContact CB-CE2 3.91Å; K219-Y499 HydrophobicContact CD-CD2 3.69Å; K219-Y499 HydrophobicContact CD-CE2 3.58Å; K219-Y499 HydrophobicContact CD-CG 4.3Å; K219-Y499 VanDerWaalsContact CE-CD2 3.47Å; K219-Y499 HydrophobicContact CG-CD1 4.41Å; K219-Y499 HydrophobicContact CG-CD2 4.1Å; K219-Y499 HydrophobicContact CG-CE1 4.07Å; K219-Y499 HydrophobicContact CG-CE2 3.69Å; K219-Y499 HydrophobicContact CG-CG 4.45Å; K219-Y499 PolarHBondContact O-OH 3.09Å; E254-Y499 WeakPolarHBondContact OE2-CB 3.24Å; L259-Y499 HydrophobicContact CD1-CD1 3.74Å; L259-Y499 HydrophobicContact CD1-CE1 4.17Å; L259-Y499 HydrophobicContact CD2-CD1 3.71Å; L259-Y499 HydrophobicContact CD2-CG 3.91Å; L259-Y499 HydrophobicContact CG-CD1 4.01Å; L491-Y499 HydrophobicContact CD1-CE2 4.22Å; L491-Y499 HydrophobicContact CD2-CE2 4.16Å; D495-Y499 HydrophobicContact CB-CD2 4.22Å; D495-Y499 HydrophobicContact CB-CE2 3.57Å; D495-Y499 WeakPolarHBondContact O-CD2 3.34Å; D495-Y499 PolarHBondContact O-N 3.25Å; E496-Y499 PolarHBondContact O-N 2.94Å; Y499-K501 VanDerWaalsContact C-N 3.31Å; Y499-K501 PolarHBondContact O-N 3.13Å; Y499-V502 PolarHBondContact O-N 3.41Å; Y499-S503 PolarHBondContact O-N 3.37Å; Y499-S503 PolarHBondContact O-OG 2.78Å
500	S	85.1	Confident	91.4	Very high	67 Å²	67	58.7 Å²	58.7	47%	0.469	32%	0.317	S	S	.	.	H	α-helix	trans	-63.9	-33.9	173.4	64.3	0	0	0	0	112.7	E496 S497 F498 V502 S503	E496-S500 PolarHBondContact O-N 2.82Å; E496-S500 PolarHBondContact O-OG 3.25Å; S497-S500 PolarHBondContact O-OG 3.44Å; F498-S500 VanDerWaalsContact C-N 3.3Å; F498-S500 PolarHBondContact O-N 3.17Å; S500-V502 VanDerWaalsContact C-N 3.29Å; S500-V502 PolarHBondContact O-N 3.21Å; S500-S503 PolarHBondContact O-N 3.12Å
501	K	88.6	Confident	91.7	Very high	126 Å²	126	51 Å²	51	55%	0.548	28%	0.281	S	S	.	.	H	α-helix	trans	-68.3	-27.6	176.6	-63.6	173.1	-174.1	177.5	0	113.1	L232 S497 F498 Y499	L232-K501 HydrophobicContact CD1-CB 4.45Å; S497-K501 WeakPolarHBondContact O-CG 3.38Å; F498-K501 WeakPolarHBondContact O-CB 3.46Å; F498-K501 PolarHBondContact O-N 2.73Å; F498-K501 VanDerWaalsContact O-N 3.1Å; Y499-K501 VanDerWaalsContact C-N 3.31Å; Y499-K501 PolarHBondContact O-N 3.13Å
502	V	87	Confident	92	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-78.9	-32.6	176.5	-177.9	0	0	0	0	110.6	L232 K235 A252 L259 L261 F498 Y499 S500 T504	L232-V502 HydrophobicContact CB-CG2 4.46Å; L232-V502 HydrophobicContact CD1-CG2 4.02Å; K235-V502 HydrophobicContact CB-CG1 4.34Å; K235-V502 HydrophobicContact CG-CG1 4.17Å; A252-V502 WeakPolarHBondContact CB-O 3.35Å; L259-V502 HydrophobicContact CD1-CB 4.24Å; L259-V502 HydrophobicContact CD1-CG1 4.12Å; L259-V502 HydrophobicContact CD1-CG2 4.11Å; L259-V502 HydrophobicContact CD2-CB 4.47Å; L261-V502 HydrophobicContact CD2-CG1 4.38Å; F498-V502 HydrophobicContact CE1-CG2 4.14Å; F498-V502 HydrophobicContact CE2-CG2 4.45Å; F498-V502 HydrophobicContact CZ-CG2 3.89Å; Y499-V502 PolarHBondContact O-N 3.41Å; S500-V502 VanDerWaalsContact C-N 3.29Å; S500-V502 PolarHBondContact O-N 3.21Å; V502-T504 PolarHBondContact O-N 3.21Å
503	S	91.8	Very high	92.3	Very high	31 Å²	31	47.7 Å²	47.7	22%	0.217	26%	0.263	C	S	.	.			trans	-86	66.1	-171.5	-57.1	0	0	0	0	113	A252 E254 Y499 S500 G505	A252-S503 CarbonylContact O-C 3.57Å; A252-S503 WeakPolarHBondContact O-CA 3.37Å; E254-S503 WeakPolarHBondContact CB-OG 3.26Å; E254-S503 WeakPolarHBondContact CG-OG 3.36Å; E254-S503 PolarHBondContact N-OG 2.84Å; Y499-S503 PolarHBondContact O-N 3.37Å; Y499-S503 PolarHBondContact O-OG 2.78Å; S500-S503 PolarHBondContact O-N 3.12Å; S503-G505 VanDerWaalsContact C-N 3.31Å; S503-G505 PolarHBondContact O-N 2.92Å
504	T	94.9	Very high	92.7	Very high	69 Å²	69	42.8 Å²	42.8	42%	0.423	23%	0.231	S	C	.	.			trans	-82.6	0.2	-177.3	55.6	0	0	0	0	115.3	K235 E239 A252 V502	K235-T504 WeakPolarHBondContact CE-OG1 3.34Å; K235-T504 PolarHBondContact NZ-OG1 3.2Å; E239-T504 PolarHBondContact OE1-OG1 2.97Å; E239-T504 VanDerWaalsContact OE1-OG1 3.06Å; A252-T504 PolarHBondContact O-N 2.74Å; V502-T504 PolarHBondContact O-N 3.21Å
505	G	96.7	Very high	93.2	Very high	13 Å²	13	34.4 Å²	34.4	13%	0.134	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.4	-134.6	-178.9	0	0	0	0	0	111.9	Y251 A252 S503	Y251-G505 CarbonylContact C-O 3.54Å; Y251-G505 VanDerWaalsContact CA-O 3.24Å; Y251-G505 WeakPolarHBondContact CA-O 3.34Å; A252-G505 PolarHBondContact N-O 2.84Å; A252-G505 WeakPolarHBondContact O-CA 3.25Å; A252-G505 PolarHBondContact O-N 3.32Å; S503-G505 VanDerWaalsContact C-N 3.31Å; S503-G505 PolarHBondContact O-N 2.92Å
506	S	97.8	Very high	93.6	Very high	21 Å²	21	36.4 Å²	36.4	15%	0.147	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	139.2	-179.5	-45.7	0	0	0	0	111.6	E177 Y251	E177-S506 VanDerWaalsContact O-CB 3.29Å; E177-S506 WeakPolarHBondContact O-CB 3.5Å; E177-S506 PolarHBondContact O-OG 3.29Å; Y251-S506 WeakPolarHBondContact CE1-OG 3.32Å
507	V	97.8	Very high	94.1	Very high	14 Å²	14	35.5 Å²	35.5	9%	0.085	20%	0.201	C	C	.	.			trans	-91.4	128.3	169.9	-177.3	0	0	0	0	108.8	E239 L249 A250 I509 P510 W511	E239-V507 HydrophobicContact CG-CG1 4.13Å; E239-V507 HydrophobicContact CG-CG2 4.24Å; L249-V507 HydrophobicContact CB-CG2 4.42Å; L249-V507 HydrophobicContact CD2-CG2 3.93Å; L249-V507 HydrophobicContact CG-CG2 3.83Å; L249-V507 WeakPolarHBondContact O-CB 3.17Å; L249-V507 WeakPolarHBondContact O-CG2 3.15Å; A250-V507 PolarHBondContact O-N 2.82Å; V507-I509 PolarHBondContact O-N 3.33Å; V507-P510 HydrophobicContact CG1-CG 4.31Å; V507-P510 WeakPolarHBondContact O-CD 3.42Å; V507-W511 WeakPolarHBondContact O-CB 3.47Å; V507-W511 PolarHBondContact O-N 3.03Å
508	S	96.3	Very high	94.6	Very high	26 Å²	26	33.3 Å²	33.3	18%	0.182	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-55.8	-161.4	-171.3	0	0	0	0	114.7	Q60 K174 E177 W511 Q512	Q60-S508 PolarHBondContact OE1-OG 3.27Å; K174-S508 PolarHBondContact NZ-OG 3.05Å; E177-S508 VanDerWaalsContact CD-OG 3.24Å; E177-S508 WeakPolarHBondContact OE1-CB 3.33Å; E177-S508 PolarHBondContact OE1-OG 3.13Å; E177-S508 WeakPolarHBondContact OE2-CA 3.44Å; E177-S508 VanDerWaalsContact OE2-CB 3.29Å; E177-S508 WeakPolarHBondContact OE2-CB 3.13Å; E177-S508 PolarHBondContact OE2-OG 2.97Å; S508-W511 PolarHBondContact O-N 3.21Å; S508-Q512 WeakPolarHBondContact O-CB 3.36Å; S508-Q512 VanDerWaalsContact O-CG 3.27Å; S508-Q512 WeakPolarHBondContact O-CG 3.38Å; S508-Q512 PolarHBondContact O-N 3.01Å; S508-Q512 PolarHBondContact OG-NE2 3.48Å; S508-Q512 VanDerWaalsContact OG-NE2 3.09Å
509	I	97.1	Very high	95	Very high	25 Å²	25	35.6 Å²	35.6	13%	0.128	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-51.1	-175.7	-64.2	172.3	0	0	0	111.7	P61 V507 W511 Q512 N513	P61-I509 HydrophobicContact CG-CG2 4.11Å; V507-I509 PolarHBondContact O-N 3.33Å; I509-W511 VanDerWaalsContact C-N 3.35Å; I509-W511 PolarHBondContact O-N 3.16Å; I509-Q512 PolarHBondContact O-N 3.44Å; I509-N513 PolarHBondContact O-N 2.86Å; I509-N513 PolarHBondContact O-ND2 2.93Å
510	P	97.9	Very high	95.6	Very high	20 Å²	20	35.5 Å²	35.5	13%	0.13	20%	0.195	C	C	.	.	H	α-helix	trans	-65.3	-35	179.4	-25.7	39.3	0	0	0	113.5	L249 A250 V507 N513 E514	L249-P510 WeakPolarHBondContact O-CG 3.09Å; A250-P510 HydrophobicContact CB-CB 4.04Å; V507-P510 HydrophobicContact CG1-CG 4.31Å; V507-P510 WeakPolarHBondContact O-CD 3.42Å; P510-N513 PolarHBondContact O-N 2.76Å; P510-E514 WeakPolarHBondContact O-CB 3.43Å; P510-E514 PolarHBondContact O-N 3.19Å
511	W	98.4	Very high	96.2	Very high	9 Å²	9	32.9 Å²	32.9	3%	0.034	18%	0.176	C	C	.	.	H	α-helix	trans	-64.2	-42	175.3	-176.1	95.4	0	0	0	112	I62 W173 L176 E177 Y251 V507 S508 I509 E514 M515	I62-W511 HydrophobicContact CD1-CZ3 4.21Å; W173-W511 AromaticContact CE3-CH2 3.85Å; W173-W511 HydrophobicContact CE3-CH2 3.85Å; W173-W511 HydrophobicContact CE3-CZ3 4.08Å; W173-W511 HydrophobicContact CZ3-CH2 4.22Å; L176-W511 HydrophobicContact CB-CH2 3.84Å; L176-W511 HydrophobicContact CB-CZ2 4.1Å; E177-W511 HydrophobicContact CB-CD2 3.98Å; E177-W511 HydrophobicContact CB-CE3 3.69Å; E177-W511 HydrophobicContact CB-CH2 4.02Å; E177-W511 HydrophobicContact CB-CZ2 4.28Å; E177-W511 HydrophobicContact CB-CZ3 3.72Å; E177-W511 HydrophobicContact CG-CB 4.47Å; E177-W511 HydrophobicContact CG-CD2 3.87Å; E177-W511 HydrophobicContact CG-CE3 3.76Å; E177-W511 HydrophobicContact CG-CG 4.18Å; E177-W511 HydrophobicContact CG-CZ3 4.31Å; Y251-W511 AromaticContact CE1-CD1 3.54Å; Y251-W511 AromaticContact CZ-CD1 3.71Å; V507-W511 WeakPolarHBondContact O-CB 3.47Å; V507-W511 PolarHBondContact O-N 3.03Å; S508-W511 PolarHBondContact O-N 3.21Å; I509-W511 VanDerWaalsContact C-N 3.35Å; I509-W511 PolarHBondContact O-N 3.16Å; W511-E514 WeakPolarHBondContact O-CB 3.25Å; W511-E514 PolarHBondContact O-N 3.4Å; W511-M515 HydrophobicContact CD2-CE 4.04Å; W511-M515 HydrophobicContact CD2-CG 4.19Å; W511-M515 HydrophobicContact CE3-CG 3.92Å; W511-M515 HydrophobicContact CG-CE 4.39Å; W511-M515 HydrophobicContact CH2-CG 3.74Å; W511-M515 HydrophobicContact CH2-SD 4.16Å; W511-M515 HydrophobicContact CZ2-CE 3.85Å; W511-M515 HydrophobicContact CZ2-CG 4.01Å; W511-M515 HydrophobicContact CZ2-SD 3.94Å; W511-M515 HydrophobicContact CZ3-CG 3.69Å; W511-M515 WeakPolarHBondContact O-CG 3.45Å; W511-M515 PolarHBondContact O-N 2.87Å; W511-M515 VanDerWaalsContact O-N 3.09Å
512	Q	98.6	Very high	96.6	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.019	18%	0.175	C	C	.	.	H	α-helix	trans	-67.2	-42.5	177.5	-72.3	-177.8	30.2	0	0	111.9	Q60 P61 I62 E177 S508 I509 E514 M515 I516	Q60-Q512 VanDerWaalsContact C-OE1 3.32Å; Q60-Q512 VanDerWaalsContact OE1-NE2 3.08Å; P61-Q512 HydrophobicContact CB-CB 4.08Å; P61-Q512 HydrophobicContact CG-CB 4.05Å; P61-Q512 VanDerWaalsContact N-OE1 3.17Å; I62-Q512 HydrophobicContact CB-CB 4.36Å; I62-Q512 HydrophobicContact CB-CG 4.14Å; I62-Q512 HydrophobicContact CD1-CB 4.08Å; I62-Q512 HydrophobicContact CD1-CG 3.92Å; I62-Q512 HydrophobicContact CG1-CB 3.9Å; I62-Q512 HydrophobicContact CG1-CG 4.03Å; E177-Q512 PolarHBondContact OE2-NE2 3.38Å; S508-Q512 WeakPolarHBondContact O-CB 3.36Å; S508-Q512 VanDerWaalsContact O-CG 3.27Å; S508-Q512 WeakPolarHBondContact O-CG 3.38Å; S508-Q512 PolarHBondContact O-N 3.01Å; S508-Q512 PolarHBondContact OG-NE2 3.48Å; S508-Q512 VanDerWaalsContact OG-NE2 3.09Å; I509-Q512 PolarHBondContact O-N 3.44Å; Q512-E514 VanDerWaalsContact C-N 3.29Å; Q512-E514 PolarHBondContact O-N 2.96Å; Q512-M515 PolarHBondContact O-N 3.12Å; Q512-I516 WeakPolarHBondContact O-CD1 3.46Å; Q512-I516 WeakPolarHBondContact O-CG1 3.39Å; Q512-I516 PolarHBondContact O-N 2.88Å; Q512-I516 VanDerWaalsContact O-N 3.14Å
513	N	97.9	Very high	97	Very high	55 Å²	55	34 Å²	34	29%	0.294	19%	0.191	S	C	.	.	H	α-helix	trans	-58.7	-41.9	172	-76.4	-30.8	0	0	0	111.3	P61 I509 P510 M515 I516 E517	P61-N513 WeakPolarHBondContact CB-OD1 3.48Å; P61-N513 WeakPolarHBondContact CG-OD1 3.44Å; I509-N513 PolarHBondContact O-N 2.86Å; I509-N513 PolarHBondContact O-ND2 2.93Å; P510-N513 PolarHBondContact O-N 2.76Å; N513-M515 PolarHBondContact O-N 3.37Å; N513-I516 PolarHBondContact O-N 3.33Å; N513-I516 VanDerWaalsContact O-N 3.16Å; N513-E517 WeakPolarHBondContact O-CB 3.4Å; N513-E517 VanDerWaalsContact O-CG 3.24Å; N513-E517 WeakPolarHBondContact O-CG 3.19Å; N513-E517 PolarHBondContact O-N 3.24Å
514	E	98	Very high	97.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57	-47.1	175.1	-178.6	-175.2	152.4	0	0	112.3	V205 T208 K210 Y212 Y251 P510 W511 Q512 I516 T518	V205-E514 WeakPolarHBondContact CB-OE1 3.46Å; V205-E514 WeakPolarHBondContact CG1-OE1 3.25Å; V205-E514 WeakPolarHBondContact CG2-OE1 3.43Å; T208-E514 VanDerWaalsContact CB-OE1 3.26Å; T208-E514 WeakPolarHBondContact CB-OE1 3.36Å; T208-E514 HydrophobicContact CG2-CG 4.17Å; T208-E514 WeakPolarHBondContact CG2-OE1 3.28Å; T208-E514 PolarHBondContact OG1-OE1 3.33Å; K210-E514 HydrophobicContact CB-CG 3.67Å; K210-E514 HydrophobicContact CG-CG 3.9Å; Y212-E514 HydrophobicContact CE2-CG 4.46Å; Y212-E514 WeakPolarHBondContact CE2-OE2 3.3Å; Y212-E514 PolarHBondContact OH-OE2 3.35Å; Y251-E514 WeakPolarHBondContact CE2-OE2 3.33Å; Y251-E514 PolarHBondContact OH-OE1 3.36Å; Y251-E514 PolarHBondContact OH-OE2 3.41Å; P510-E514 WeakPolarHBondContact O-CB 3.43Å; P510-E514 PolarHBondContact O-N 3.19Å; W511-E514 WeakPolarHBondContact O-CB 3.25Å; W511-E514 PolarHBondContact O-N 3.4Å; Q512-E514 VanDerWaalsContact C-N 3.29Å; Q512-E514 PolarHBondContact O-N 2.96Å; E514-I516 VanDerWaalsContact C-N 3.25Å; E514-I516 PolarHBondContact O-N 3.21Å; E514-T518 HydrophobicContact CG-CG2 4.41Å; E514-T518 WeakPolarHBondContact O-CB 3.46Å; E514-T518 WeakPolarHBondContact O-CG2 3.38Å; E514-T518 PolarHBondContact O-N 3.23Å; E514-T518 PolarHBondContact O-OG1 2.98Å
515	M	98.6	Very high	97.3	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-37	178.6	-63.2	-53.5	118.3	0	0	111.9	L34 I62 W173 T208 W511 Q512 N513 C520 F521	L34-M515 HydrophobicContact CD1-SD 4.06Å; I62-M515 HydrophobicContact CD1-CB 4.05Å; I62-M515 HydrophobicContact CD1-CG 4.35Å; W173-M515 HydrophobicContact CE3-CG 4.44Å; W173-M515 HydrophobicContact CZ3-CB 4.16Å; W173-M515 HydrophobicContact CZ3-CG 3.89Å; W173-M515 HydrophobicContact CZ3-SD 4.28Å; T208-M515 HydrophobicContact CG2-CE 3.38Å; T208-M515 HydrophobicContact CG2-SD 3.85Å; W511-M515 HydrophobicContact CD2-CE 4.04Å; W511-M515 HydrophobicContact CD2-CG 4.19Å; W511-M515 HydrophobicContact CE3-CG 3.92Å; W511-M515 HydrophobicContact CG-CE 4.39Å; W511-M515 HydrophobicContact CH2-CG 3.74Å; W511-M515 HydrophobicContact CH2-SD 4.16Å; W511-M515 HydrophobicContact CZ2-CE 3.85Å; W511-M515 HydrophobicContact CZ2-CG 4.01Å; W511-M515 HydrophobicContact CZ2-SD 3.94Å; W511-M515 HydrophobicContact CZ3-CG 3.69Å; W511-M515 WeakPolarHBondContact O-CG 3.45Å; W511-M515 PolarHBondContact O-N 2.87Å; W511-M515 VanDerWaalsContact O-N 3.09Å; Q512-M515 PolarHBondContact O-N 3.12Å; N513-M515 PolarHBondContact O-N 3.37Å; M515-C520 PolarHBondContact O-N 3.3Å; M515-C520 HydrophobicContact SD-CB 4.23Å; M515-F521 HydrophobicContact CB-CB 4.42Å; M515-F521 PolarHBondContact O-N 3.27Å
516	I	98.4	Very high	97	Very high	53 Å²	53	34.5 Å²	34.5	27%	0.272	19%	0.188	S	C	.	.	H	α-helix	trans	-72.5	-54.1	179.1	-64.9	161.7	0	0	0	110.7	P61 I62 L65 Q512 N513 E514 T518 E519 F521	P61-I516 HydrophobicContact CB-CD1 3.51Å; I62-I516 HydrophobicContact CG1-CD1 4.06Å; I62-I516 HydrophobicContact CG1-CG1 4.17Å; L65-I516 HydrophobicContact CD1-CD1 3.52Å; L65-I516 HydrophobicContact CD1-CG1 3.79Å; L65-I516 HydrophobicContact CD1-CG2 4.4Å; Q512-I516 WeakPolarHBondContact O-CD1 3.46Å; Q512-I516 WeakPolarHBondContact O-CG1 3.39Å; Q512-I516 PolarHBondContact O-N 2.88Å; Q512-I516 VanDerWaalsContact O-N 3.14Å; N513-I516 PolarHBondContact O-N 3.33Å; N513-I516 VanDerWaalsContact O-N 3.16Å; E514-I516 VanDerWaalsContact C-N 3.25Å; E514-I516 PolarHBondContact O-N 3.21Å; I516-T518 PolarHBondContact O-N 3.01Å; I516-E519 PolarHBondContact O-N 3.46Å; I516-F521 HydrophobicContact CG1-CB 4.05Å; I516-F521 HydrophobicContact CG1-CD1 4.46Å; I516-F521 HydrophobicContact CG1-CG 4.22Å
517	E	95.7	Very high	96.6	Very high	111 Å²	111	35.4 Å²	35.4	52%	0.519	19%	0.19	S	C	.	.	H	α-helix	trans	-61.5	-30.8	-176.9	-71	170.4	-168.5	0	0	112.9	K210 N513 E519	K210-E517 WeakPolarHBondContact CE-OE2 3.31Å; K210-E517 IonicContact NZ-OE2 3.69Å; K210-E517 PolarHBondContact NZ-OE2 3.24Å; N513-E517 WeakPolarHBondContact O-CB 3.4Å; N513-E517 VanDerWaalsContact O-CG 3.24Å; N513-E517 WeakPolarHBondContact O-CG 3.19Å; N513-E517 PolarHBondContact O-N 3.24Å; E517-E519 VanDerWaalsContact C-N 3.3Å
518	T	95.8	Very high	96.1	Very high	18 Å²	18	40 Å²	40	11%	0.11	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	9.5	177.3	61.7	0	0	0	0	113.4	K26 K210 E514 I516 C520	K26-T518 WeakPolarHBondContact CE-O 3.39Å; K26-T518 PolarHBondContact NZ-O 2.66Å; K210-T518 HydrophobicContact CB-CG2 3.89Å; K210-T518 HydrophobicContact CD-CG2 4.14Å; E514-T518 HydrophobicContact CG-CG2 4.41Å; E514-T518 WeakPolarHBondContact O-CB 3.46Å; E514-T518 WeakPolarHBondContact O-CG2 3.38Å; E514-T518 PolarHBondContact O-N 3.23Å; E514-T518 PolarHBondContact O-OG1 2.98Å; I516-T518 PolarHBondContact O-N 3.01Å; T518-C520 PolarHBondContact O-N 3.29Å; T518-C520 PolarHBondContact OG1-SG 3.26Å
519	E	97	Very high	95.3	Very high	79 Å²	79	48.8 Å²	48.8	37%	0.369	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	6.7	-179.3	-58.3	161.2	-172.3	0	0	113.7	K24 I516 E517 F521 S522 E523	K24-E519 IonicContact NZ-OE1 2.73Å; K24-E519 PolarHBondContact NZ-OE1 3.26Å; K24-E519 IonicContact NZ-OE2 3.05Å; K24-E519 PolarHBondContact NZ-OE2 2.83Å; I516-E519 PolarHBondContact O-N 3.46Å; E517-E519 VanDerWaalsContact C-N 3.3Å; E519-F521 VanDerWaalsContact C-N 3.28Å; E519-F521 PolarHBondContact O-N 3.19Å; E519-S522 WeakPolarHBondContact CA-OG 3.44Å; E519-S522 PolarHBondContact O-N 2.68Å; E519-S522 PolarHBondContact O-OG 3.46Å; E519-E523 WeakPolarHBondContact O-CB 3.49Å; E519-E523 VanDerWaalsContact O-CG 3.31Å; E519-E523 WeakPolarHBondContact O-CG 3.4Å; E519-E523 PolarHBondContact O-N 3.11Å
520	C	97.6	Very high	94.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-38.4	176.8	-64.8	0	0	0	0	111	W30 L34 M515 T518 L524	W30-C520 HydrophobicContact CZ3-CB 4.29Å; L34-C520 HydrophobicContact CD1-CB 4.34Å; M515-C520 PolarHBondContact O-N 3.3Å; M515-C520 HydrophobicContact SD-CB 4.23Å; T518-C520 PolarHBondContact O-N 3.29Å; T518-C520 PolarHBondContact OG1-SG 3.26Å; C520-L524 VanDerWaalsContact O-CB 3.32Å; C520-L524 WeakPolarHBondContact O-CB 3.43Å; C520-L524 WeakPolarHBondContact O-CG 3.41Å; C520-L524 PolarHBondContact O-N 3.25Å
521	F	98.1	Very high	93.7	Very high	13 Å²	13	55.2 Å²	55.2	6%	0.057	29%	0.29	C	S	.	.	H	α-helix	trans	-59.2	-57.6	175	177.1	-100.5	0	0	0	110.9	I62 L65 L66 W173 M515 I516 E519 E523 L524 N525	I62-F521 HydrophobicContact CB-CE2 4.45Å; I62-F521 HydrophobicContact CD1-CD2 3.99Å; I62-F521 HydrophobicContact CG1-CD2 3.86Å; I62-F521 HydrophobicContact CG1-CE2 4.22Å; I62-F521 HydrophobicContact CG2-CD2 4.16Å; I62-F521 HydrophobicContact CG2-CE2 3.76Å; L65-F521 HydrophobicContact CB-CE1 4.15Å; L65-F521 HydrophobicContact CB-CZ 4.07Å; L65-F521 HydrophobicContact CD1-CD1 3.96Å; L65-F521 HydrophobicContact CD1-CE1 3.71Å; L65-F521 HydrophobicContact CD1-CZ 4.27Å; L66-F521 HydrophobicContact CD2-CZ 4.41Å; L66-F521 HydrophobicContact CG-CE2 4.4Å; L66-F521 HydrophobicContact CG-CZ 4.36Å; W173-F521 HydrophobicContact CD2-CD2 4.37Å; W173-F521 AromaticContact CE2-CD2 3.57Å; W173-F521 AromaticContact CE2-CE2 3.97Å; W173-F521 HydrophobicContact CH2-CB 4.37Å; W173-F521 HydrophobicContact CH2-CD2 4.3Å; W173-F521 HydrophobicContact CZ2-CB 4.28Å; W173-F521 AromaticContact CZ2-CD2 3.55Å; W173-F521 HydrophobicContact CZ2-CD2 3.55Å; W173-F521 HydrophobicContact CZ2-CE2 4.29Å; W173-F521 HydrophobicContact CZ2-CG 4.29Å; W173-F521 AromaticContact NE1-CD2 3.7Å; W173-F521 AromaticContact NE1-CE2 3.58Å; M515-F521 HydrophobicContact CB-CB 4.42Å; M515-F521 PolarHBondContact O-N 3.27Å; I516-F521 HydrophobicContact CG1-CB 4.05Å; I516-F521 HydrophobicContact CG1-CD1 4.46Å; I516-F521 HydrophobicContact CG1-CG 4.22Å; E519-F521 VanDerWaalsContact C-N 3.28Å; E519-F521 PolarHBondContact O-N 3.19Å; F521-E523 VanDerWaalsContact C-N 3.31Å; F521-E523 PolarHBondContact O-N 3Å; F521-L524 PolarHBondContact O-N 2.93Å; F521-N525 HydrophobicContact CD2-CB 4.09Å; F521-N525 HydrophobicContact CE1-CB 4.34Å; F521-N525 HydrophobicContact CE2-CB 3.85Å; F521-N525 HydrophobicContact CG-CB 4.42Å; F521-N525 HydrophobicContact CZ-CB 4Å; F521-N525 WeakPolarHBondContact O-CA 3.13Å; F521-N525 WeakPolarHBondContact O-CB 3.33Å; F521-N525 PolarHBondContact O-N 3.18Å
522	S	96.3	Very high	93.1	Very high	77 Å²	77	56.7 Å²	56.7	54%	0.538	30%	0.304	S	S	.	.	H	α-helix	trans	-62.2	-34.7	-178.7	47.3	0	0	0	0	113.5	E519	E519-S522 WeakPolarHBondContact CA-OG 3.44Å; E519-S522 PolarHBondContact O-N 2.68Å; E519-S522 PolarHBondContact O-OG 3.46Å
523	E	95.9	Very high	92.5	Very high	75 Å²	75	60.1 Å²	60.1	35%	0.35	33%	0.325	S	S	.	.	H	α-helix	trans	-76.4	-28	-179.8	-74.5	-171.6	-110.2	0	0	114	K26 W30 E519 F521	K26-E523 IonicContact NZ-OE1 2.8Å; K26-E523 PolarHBondContact NZ-OE1 3.13Å; W30-E523 HydrophobicContact CH2-CB 3.88Å; W30-E523 HydrophobicContact CZ2-CB 4.5Å; W30-E523 VanDerWaalsContact CZ2-OE2 3.22Å; W30-E523 WeakPolarHBondContact CZ2-OE2 3.32Å; E519-E523 WeakPolarHBondContact O-CB 3.49Å; E519-E523 VanDerWaalsContact O-CG 3.31Å; E519-E523 WeakPolarHBondContact O-CG 3.4Å; E519-E523 PolarHBondContact O-N 3.11Å; F521-E523 VanDerWaalsContact C-N 3.31Å; F521-E523 PolarHBondContact O-N 3Å
524	L	96.3	Very high	92.1	Very high	28 Å²	28	57.6 Å²	57.6	15%	0.147	31%	0.311	C	S	.	.	H	α-helix	trans	-100.3	-31.8	-178.8	-65.7	176.8	0	0	0	112.7	W30 K31 L34 F36 W173 C520 F521 V526	W30-L524 HydrophobicContact CH2-CD2 4.09Å; W30-L524 HydrophobicContact CH2-CG 4.06Å; W30-L524 HydrophobicContact CZ3-CD1 3.75Å; W30-L524 HydrophobicContact CZ3-CD2 3.94Å; W30-L524 HydrophobicContact CZ3-CG 3.76Å; K31-L524 HydrophobicContact CG-CD2 4.36Å; L34-L524 HydrophobicContact CB-CD1 3.71Å; L34-L524 HydrophobicContact CD1-CD1 4.32Å; F36-L524 HydrophobicContact CE2-CB 4.13Å; F36-L524 WeakPolarHBondContact CE2-O 3.44Å; F36-L524 HydrophobicContact CZ-CB 4.19Å; W173-L524 HydrophobicContact CH2-CB 4.16Å; W173-L524 HydrophobicContact CH2-CD1 4.12Å; W173-L524 HydrophobicContact CZ2-CB 4.15Å; C520-L524 VanDerWaalsContact O-CB 3.32Å; C520-L524 WeakPolarHBondContact O-CB 3.43Å; C520-L524 WeakPolarHBondContact O-CG 3.41Å; C520-L524 PolarHBondContact O-N 3.25Å; F521-L524 PolarHBondContact O-N 2.93Å; L524-V526 PolarHBondContact O-N 3.49Å
525	N	96	Very high	91.7	Very high	13 Å²	13	61.6 Å²	61.6	7%	0.07	34%	0.337	C	S	.	.			trans	-77.7	69.9	-176.4	-169.9	73	0	0	0	111.9	Q69 R169 W173 F521	Q69-N525 PolarHBondContact NE2-ND2 3.16Å; Q69-N525 PolarHBondContact OE1-ND2 3.37Å; Q69-N525 VanDerWaalsContact OE1-ND2 3.11Å; R169-N525 WeakPolarHBondContact CG-OD1 3.48Å; W173-N525 HydrophobicContact CZ2-CB 4.23Å; W173-N525 PolarHBondContact NE1-OD1 2.88Å; F521-N525 HydrophobicContact CD2-CB 4.09Å; F521-N525 HydrophobicContact CE1-CB 4.34Å; F521-N525 HydrophobicContact CE2-CB 3.85Å; F521-N525 HydrophobicContact CG-CB 4.42Å; F521-N525 HydrophobicContact CZ-CB 4Å; F521-N525 WeakPolarHBondContact O-CA 3.13Å; F521-N525 WeakPolarHBondContact O-CB 3.33Å; F521-N525 PolarHBondContact O-N 3.18Å
526	V	92.3	Very high	91.3	Very high	81 Å²	81	63.5 Å²	63.5	49%	0.491	35%	0.348	S	S	.	.			trans	-98.8	132.9	-179.6	-175.8	0	0	0	0	110.5	R169 L524	R169-V526 PolarHBondContact NH1-O 2.65Å; L524-V526 PolarHBondContact O-N 3.49Å
527	F	89.3	Confident	91.1	Very high	41 Å²	41	61.1 Å²	61.1	18%	0.18	34%	0.335	C	S	.	.			trans	-120.5	154.2	166.5	-64.2	-80.2	0	0	0	108.6	L66 M165 Y166 R169 P534 L537	L66-F527 HydrophobicContact CD2-CE2 4.2Å; L66-F527 HydrophobicContact CD2-CZ 4.19Å; M165-F527 HydrophobicContact CE-CD1 3.77Å; M165-F527 HydrophobicContact CE-CE1 4.25Å; M165-F527 HydrophobicContact CE-CG 4.45Å; M165-F527 HydrophobicContact CG-CE1 4.18Å; M165-F527 HydrophobicContact SD-CD1 3.9Å; M165-F527 HydrophobicContact SD-CE1 4.12Å; Y166-F527 HydrophobicContact CD1-CE1 4.29Å; Y166-F527 AromaticContact CD1-CE2 3.9Å; Y166-F527 HydrophobicContact CD1-CE2 3.9Å; Y166-F527 AromaticContact CD1-CZ 3.68Å; Y166-F527 HydrophobicContact CD1-CZ 3.68Å; Y166-F527 HydrophobicContact CE1-CD2 4.24Å; Y166-F527 HydrophobicContact CE1-CE1 4.41Å; Y166-F527 AromaticContact CE1-CE2 3.92Å; Y166-F527 HydrophobicContact CE1-CE2 3.92Å; Y166-F527 HydrophobicContact CE1-CZ 4.01Å; Y166-F527 HydrophobicContact CG-CZ 4.48Å; R169-F527 HydrophobicContact CB-CE1 4.23Å; R169-F527 HydrophobicContact CB-CZ 3.78Å; R169-F527 HydrophobicContact CG-CE1 4.48Å; R169-F527 HydrophobicContact CG-CE2 4.46Å; R169-F527 HydrophobicContact CG-CZ 3.78Å; F527-P534 HydrophobicContact CD1-CG 4.46Å; F527-L537 HydrophobicContact CE1-CD1 4.2Å
528	Y	86.4	Confident	90.7	Very high	109 Å²	109	58.3 Å²	58.3	43%	0.427	32%	0.324	S	S	.	.			trans	-87.2	141	178.3	-57.3	-49.7	0	0	0	111.5	D530 G531 A532 P534 P535	Y528-D530 WeakPolarHBondContact CB-OD1 3.47Å; Y528-D530 PolarHBondContact O-N 2.93Å; Y528-G531 PolarHBondContact O-N 3.38Å; Y528-G531 VanDerWaalsContact O-N 3.08Å; Y528-A532 HydrophobicContact CD2-CB 3.84Å; Y528-A532 WeakPolarHBondContact CD2-O 3.42Å; Y528-A532 HydrophobicContact CG-CB 4.5Å; Y528-P534 HydrophobicContact CE2-CB 4.42Å; Y528-P534 HydrophobicContact CE2-CG 4.47Å; Y528-P535 VanDerWaalsContact OH-CD 3.28Å; Y528-P535 WeakPolarHBondContact OH-CD 3.33Å
529	E	80.1	Confident	90	Very high	212 Å²	212	62.9 Å²	62.9	99%	0.991	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.5	-176.3	-65.4	-176	170.2	0	0	113.3	G531	E529-G531 PolarHBondContact O-N 2.77Å
530	D	82.8	Confident	89.1	Confident	131 Å²	131	70 Å²	70	70%	0.701	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-0.1	176.2	64.5	-5.6	0	0	0	113.2	Y528 A532	Y528-D530 WeakPolarHBondContact CB-OD1 3.47Å; Y528-D530 PolarHBondContact O-N 2.93Å; D530-A532 VanDerWaalsContact C-N 3.26Å; D530-A532 PolarHBondContact O-N 3.49Å; D530-A532 WeakPolarHBondContact OD1-CB 3.17Å; D530-A532 PolarHBondContact OD1-N 3.15Å
531	G	78.4	Confident	87.7	Confident	49 Å²	49	71.2 Å²	71.2	51%	0.505	38%	0.375	S	S	.	.			trans	77	7.9	-176.9	0	0	0	0	0	114.1	Y528 E529	Y528-G531 PolarHBondContact O-N 3.38Å; Y528-G531 VanDerWaalsContact O-N 3.08Å; E529-G531 PolarHBondContact O-N 2.77Å
532	A	85.3	Confident	86.1	Confident	40 Å²	40	79.2 Å²	79.2	33%	0.331	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-63.9	145.7	175.1	0	0	0	0	0	111.3	Y528 D530 P534	Y528-A532 HydrophobicContact CD2-CB 3.84Å; Y528-A532 WeakPolarHBondContact CD2-O 3.42Å; Y528-A532 HydrophobicContact CG-CB 4.5Å; D530-A532 VanDerWaalsContact C-N 3.26Å; D530-A532 PolarHBondContact O-N 3.49Å; D530-A532 WeakPolarHBondContact OD1-CB 3.17Å; D530-A532 PolarHBondContact OD1-N 3.15Å; A532-P534 WeakPolarHBondContact O-CD 3.36Å
533	V	86.2	Confident	84.4	Confident	75 Å²	75	79.6 Å²	79.6	46%	0.455	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-77.9	125.3	-180	-178.2	0	0	0	0	109.3	L537 D538	V533-L537 HydrophobicContact CG1-CB 3.54Å; V533-D538 HydrophobicContact CG1-CB 4.45Å
534	P	90	Very high	82.6	Confident	3 Å²	3	80 Å²	80	2%	0.019	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-52.8	144.6	172.5	-28.6	35.8	0	0	0	112.6	F527 Y528 A532 D536 L537 D538	F527-P534 HydrophobicContact CD1-CG 4.46Å; Y528-P534 HydrophobicContact CE2-CB 4.42Å; Y528-P534 HydrophobicContact CE2-CG 4.47Å; A532-P534 WeakPolarHBondContact O-CD 3.36Å; P534-D536 PolarHBondContact O-N 3.05Å; P534-D536 VanDerWaalsContact O-N 3.13Å; P534-L537 HydrophobicContact CB-CB 4.44Å; P534-L537 HydrophobicContact CB-CD1 4.42Å; P534-L537 HydrophobicContact CB-CG 4.5Å; P534-L537 HydrophobicContact CG-CD1 4.1Å; P534-L537 CarbonylContact O-C 3.48Å; P534-L537 WeakPolarHBondContact O-CA 3.48Å; P534-L537 WeakPolarHBondContact O-CB 3.46Å; P534-L537 PolarHBondContact O-N 2.88Å; P534-D538 PolarHBondContact O-N 3.37Å; P534-D538 VanDerWaalsContact O-N 3.12Å
535	P	89.1	Confident	80.4	Confident	84 Å²	84	84.7 Å²	84.7	55%	0.545	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-33.1	-177.7	-27.6	34.4	0	0	0	114.5	Y528 L537 D538	Y528-P535 VanDerWaalsContact OH-CD 3.28Å; Y528-P535 WeakPolarHBondContact OH-CD 3.33Å; P535-L537 PolarHBondContact O-N 3.41Å; P535-D538 PolarHBondContact O-N 2.93Å
536	D	91.1	Very high	78.2	Confident	42 Å²	42	89.5 Å²	89.5	23%	0.225	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-17	176.3	58.9	-94	0	0	0	113.6	I39 R169 Q172 P534	I39-D536 PolarHBondContact N-O 3.41Å; R169-D536 IonicContact CZ-OD2 3.96Å; R169-D536 IonicContact NE-OD2 3.59Å; R169-D536 IonicContact NH2-OD1 2.59Å; R169-D536 PolarHBondContact NH2-OD1 2.87Å; R169-D536 IonicContact NH2-OD2 3.28Å; R169-D536 PolarHBondContact NH2-OD2 3.14Å; Q172-D536 PolarHBondContact NE2-O 3.29Å; Q172-D536 PolarHBondContact NE2-OD2 3.05Å; Q172-D536 PolarHBondContact OE1-OD2 2.7Å; P534-D536 PolarHBondContact O-N 3.05Å; P534-D536 VanDerWaalsContact O-N 3.13Å
537	L	92.6	Very high	76	Confident	3 Å²	3	90.2 Å²	90.2	2%	0.016	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-9.5	176.8	-71.6	-179.6	0	0	0	113.7	I39 N168 R169 Q172 F527 V533 P534 P535 W539	I39-L537 HydrophobicContact CB-CD2 4.38Å; I39-L537 HydrophobicContact CD1-CD2 4.02Å; I39-L537 HydrophobicContact CG1-CD2 4.35Å; N168-L537 HydrophobicContact CB-CD2 3.71Å; R169-L537 HydrophobicContact CB-CD1 4.34Å; Q172-L537 VanDerWaalsContact CD-CD2 3.48Å; Q172-L537 HydrophobicContact CG-CD2 4.34Å; F527-L537 HydrophobicContact CE1-CD1 4.2Å; V533-L537 HydrophobicContact CG1-CB 3.54Å; P534-L537 HydrophobicContact CB-CB 4.44Å; P534-L537 HydrophobicContact CB-CD1 4.42Å; P534-L537 HydrophobicContact CB-CG 4.5Å; P534-L537 HydrophobicContact CG-CD1 4.1Å; P534-L537 CarbonylContact O-C 3.48Å; P534-L537 WeakPolarHBondContact O-CA 3.48Å; P534-L537 WeakPolarHBondContact O-CB 3.46Å; P534-L537 PolarHBondContact O-N 2.88Å; P535-L537 PolarHBondContact O-N 3.41Å; L537-W539 PolarHBondContact O-N 3.29Å
538	D	88.4	Confident	73.8	Confident	51 Å²	51	97.4 Å²	97.4	27%	0.273	52%	0.521	S	S	.	.			trans	-79.1	105	180	-178.1	15.4	0	0	0	111.2	H38 V533 P534 P535 R540 G541	H38-D538 PolarHBondContact NE2-O 3.2Å; H38-D538 VanDerWaalsContact NE2-O 3.13Å; V533-D538 HydrophobicContact CG1-CB 4.45Å; P534-D538 PolarHBondContact O-N 3.37Å; P534-D538 VanDerWaalsContact O-N 3.12Å; P535-D538 PolarHBondContact O-N 2.93Å; D538-R540 PolarHBondContact O-N 3.18Å; D538-R540 VanDerWaalsContact O-N 3.11Å; D538-R540 WeakPolarHBondContact OD1-CB 3.32Å; D538-R540 PolarHBondContact OD1-N 3.3Å; D538-R540 IonicContact OD1-NE 2.74Å; D538-G541 PolarHBondContact O-N 2.94Å; D538-G541 PolarHBondContact OD2-N 2.99Å
539	W	81.6	Confident	71.9	Confident	115 Å²	115	98 Å²	98	44%	0.436	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.9	176	-74	92.7	0	0	0	114.5	I39 E43 L537	I39-W539 HydrophobicContact CB-CZ2 4.46Å; I39-W539 HydrophobicContact CG1-CH2 4.4Å; I39-W539 HydrophobicContact CG1-CZ2 3.61Å; I39-W539 HydrophobicContact CG2-CD2 3.66Å; I39-W539 HydrophobicContact CG2-CE3 4.19Å; I39-W539 HydrophobicContact CG2-CG 3.87Å; I39-W539 HydrophobicContact CG2-CZ2 4.18Å; E43-W539 WeakPolarHBondContact OE2-CH2 3.39Å; L537-W539 PolarHBondContact O-N 3.29Å
540	R	77.8	Confident	70.1	Confident	227 Å²	227	90 Å²	90	86%	0.857	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-12.9	179.6	-61	-179.5	-68.8	-169	-2.3	112.5	D538	D538-R540 PolarHBondContact O-N 3.18Å; D538-R540 VanDerWaalsContact O-N 3.11Å; D538-R540 WeakPolarHBondContact OD1-CB 3.32Å; D538-R540 PolarHBondContact OD1-N 3.3Å; D538-R540 IonicContact OD1-NE 2.74Å
541	G	68.8	Low	68.1	Low	26 Å²	26	90.3 Å²	90.3	27%	0.268	50%	0.503	S	S	.	.	S	Bend	trans	-67.1	150.3	175	0	0	0	0	0	111.4	D538	D538-G541 PolarHBondContact O-N 2.94Å; D538-G541 PolarHBondContact OD2-N 2.99Å
542	Q	63	Low	66.3	Low	182 Å²	182	93.9 Å²	93.9	85%	0.85	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-67.4	135.8	168.8	-71.5	-157.7	-9.2	0	0	109.3	T544	Q542-T544 PolarHBondContact O-N 3.42Å; Q542-T544 VanDerWaalsContact O-N 3.15Å
543	P	61	Low	64.5	Low	85 Å²	85	97.8 Å²	97.8	55%	0.552	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-54.6	124.9	174.5	-20.3	29.4	0	0	0	109.4
544	T	57.2	Low	62.7	Low	84 Å²	84	103 Å²	103	52%	0.515	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-56.2	131.7	170.4	33.6	0	0	0	0	108.8	Q542 T546	Q542-T544 PolarHBondContact O-N 3.42Å; Q542-T544 VanDerWaalsContact O-N 3.15Å; T544-T546 PolarHBondContact O-N 3.11Å
545	P	51.8	Low	60.3	Low	125 Å²	125	108.7 Å²	108.7	81%	0.812	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-56.8	135.3	179.8	19.9	-29.8	0	0	0	109.7
546	T	49.8	Very low	58.5	Low	114 Å²	114	112.7 Å²	112.7	70%	0.699	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-52.8	144	178.2	41.4	0	0	0	0	110.5	T544 K548	T544-T546 PolarHBondContact O-N 3.11Å; T546-K548 PolarHBondContact O-N 2.98Å
547	P	45.8	Very low	56.2	Low	97 Å²	97	113.4 Å²	113.4	63%	0.63	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-52.9	121.5	175.9	-22.7	31.6	0	0	0	109	Q549	P547-Q549 PolarHBondContact O-N 3.22Å
548	K	42.5	Very low	53.8	Low	191 Å²	191	124.7 Å²	124.7	83%	0.83	63%	0.631	S	S	*	*			trans	-52.9	113.6	-178.7	-72.1	-176.6	179.2	178.5	0	108.9	T546 G550	T546-K548 PolarHBondContact O-N 2.98Å; K548-G550 PolarHBondContact O-N 3.46Å
549	Q	45.6	Very low	51.4	Low	122 Å²	122	131.1 Å²	131.1	57%	0.57	66%	0.66	S	S	*	*			trans	-52.3	132	167.1	-72.6	-179	-7.5	0	0	108.2	P547 Q553	P547-Q549 PolarHBondContact O-N 3.22Å; Q549-Q553 HydrophobicContact CB-CB 4.31Å
550	G	43.3	Very low	49.3	Very low	43 Å²	43	132.8 Å²	132.8	44%	0.443	68%	0.677	S	S	.	*			trans	-56.7	148.7	-179	0	0	0	0	0	110.9	K548 L552 Q553	K548-G550 PolarHBondContact O-N 3.46Å; G550-L552 PolarHBondContact O-N 3.31Å; G550-Q553 PolarHBondContact O-N 3.29Å
551	L	40.6	Very low	46.9	Very low	139 Å²	139	128 Å²	128	73%	0.728	68%	0.677	S	S	*	*	H	α-helix	trans	-48	-33.4	-176.6	-142.8	89.8	0	0	0	113.2	R554 L555	L551-R554 PolarHBondContact O-N 3.12Å; L551-L555 WeakPolarHBondContact O-CG 3.48Å; L551-L555 PolarHBondContact O-N 3.48Å
552	L	40.2	Very low	45.1	Very low	123 Å²	123	133.3 Å²	133.3	64%	0.644	71%	0.708	S	S	*	*	H	α-helix	trans	-67.4	-36.6	177.9	-70.2	164.2	0	0	0	113.5	G550 R554 L555 F556	G550-L552 PolarHBondContact O-N 3.31Å; L552-R554 VanDerWaalsContact C-N 3.33Å; L552-R554 PolarHBondContact O-N 2.76Å; L552-L555 PolarHBondContact O-N 2.97Å; L552-F556 HydrophobicContact CD2-CD2 4.36Å; L552-F556 HydrophobicContact CD2-CE2 3.83Å; L552-F556 WeakPolarHBondContact O-CD2 3.36Å; L552-F556 PolarHBondContact O-N 3.18Å; L552-F556 VanDerWaalsContact O-N 3.14Å
553	Q	48	Very low	43.3	Very low	123 Å²	123	128.1 Å²	128.1	58%	0.575	70%	0.703	S	S	*	*	H	α-helix	trans	-70.5	-30.6	176.4	-91.6	173.3	-30.1	0	0	112.4	Q549 G550 L555 G557	Q549-Q553 HydrophobicContact CB-CB 4.31Å; G550-Q553 PolarHBondContact O-N 3.29Å; Q553-L555 VanDerWaalsContact C-N 3.34Å; Q553-G557 WeakPolarHBondContact O-CA 3.45Å; Q553-G557 PolarHBondContact O-N 3Å
554	R	49.2	Very low	41.8	Very low	185 Å²	185	131.8 Å²	131.8	70%	0.698	72%	0.718	S	S	*	*	H	α-helix	trans	-70	-29.8	172.8	-81.3	-177.8	174	179.1	-3.7	113.4	L551 L552	L551-R554 PolarHBondContact O-N 3.12Å; L552-R554 VanDerWaalsContact C-N 3.33Å; L552-R554 PolarHBondContact O-N 2.76Å
555	L	39.4	Very low	40.4	Very low	121 Å²	121	133.6 Å²	133.6	63%	0.634	73%	0.733	S	S	*	*	H	α-helix	trans	-84.8	-24	-179	-72.1	166.5	0	0	0	113.1	L551 L552 Q553	L551-L555 WeakPolarHBondContact O-CG 3.48Å; L551-L555 PolarHBondContact O-N 3.48Å; L552-L555 PolarHBondContact O-N 2.97Å; Q553-L555 VanDerWaalsContact C-N 3.34Å
556	F	50.5	Low	39.3	Very low	168 Å²	168	133 Å²	133	74%	0.737	73%	0.732	S	S	*	*	H	α-helix	trans	-121.3	3	-174	-60.2	-67.6	0	0	0	114.6	L552 R558	L552-F556 HydrophobicContact CD2-CD2 4.36Å; L552-F556 HydrophobicContact CD2-CE2 3.83Å; L552-F556 WeakPolarHBondContact O-CD2 3.36Å; L552-F556 PolarHBondContact O-N 3.18Å; L552-F556 VanDerWaalsContact O-N 3.14Å; F556-R558 PolarHBondContact O-N 2.97Å
557	G	41.9	Very low	38.3	Very low	58 Å²	58	135.5 Å²	135.5	60%	0.598	74%	0.741	S	S	*	*			trans	-99	58.9	-179.9	0	0	0	0	0	113.8	Q553	Q553-G557 WeakPolarHBondContact O-CA 3.45Å; Q553-G557 PolarHBondContact O-N 3Å
558	R	42.5	Very low	37.5	Very low	240 Å²	240	136.4 Å²	136.4	91%	0.906	75%	0.75	S	S	*	*			trans	-147.4	87.8	162.3	-95.9	-168.6	177.2	-171.8	-1.2	109.7	F556	F556-R558 PolarHBondContact O-N 2.97Å
559	Q	39.5	Very low	36.9	Very low	186 Å²	186	134.6 Å²	134.6	87%	0.869	75%	0.749	S	S	*	*			trans	-163	145.2	139.5	-117.6	158.8	-20.3	0	0	109.4
560	D	36.3	Very low	36.2	Very low	150 Å²	150	136.2 Å²	136.2	80%	0.802	76%	0.762	S	S	*	*			trans	84.2	84.1	176.5	-53.3	-24.9	0	0	0	117
561	C	28.6	Very low	35.7	Very low	127 Å²	127	142.5 Å²	142.5	86%	0.858	78%	0.779	S	S	*	*				-174.4	110.1	127.6	-91	0	0	0	0	109.2
562	C	29.7	Very low	35.8	Very low	137 Å²	137	141.3 Å²	141.3	93%	0.926	78%	0.78	S	S	*	*			trans	167.4	100.9	134.3	-88.7	0	0	0	0	109.5
563	G	26.1	Very low	35.4	Very low	72 Å²	72	140.1 Å²	140.1	74%	0.742	78%	0.778	S	S	*	*			trans	-102.2	146.3	158.7	0	0	0	0	0	110
564	N	28.9	Very low	34.8	Very low	162 Å²	162	145.5 Å²	145.5	87%	0.866	79%	0.793	S	S	*	*			trans	97.9	105.1	166.3	-69.9	2.9	0	0	0	119.3
565	C	28.4	Very low	34.1	Very low	123 Å²	123	148.1 Å²	148.1	83%	0.831	82%	0.82	S	S	*	*				153.1	139.1	119.5	-79.6	0	0	0	0	106.4
566	S	28.5	Very low	33.9	Very low	111 Å²	111	149.5 Å²	149.5	78%	0.776	83%	0.829	S	S	*	*			cis	-172.9	154.5	2.4	36.6	0	0	0	0	105.1
567	D	29.1	Very low	33	Very low	168 Å²	168	148.5 Å²	148.5	90%	0.898	83%	0.834	S	S	*	*			trans	-52.9	138.4	177.6	-68.7	-48.7	0	0	0	113.7
568	S	28.2	Very low	32.5	Very low	116 Å²	116	153.6 Å²	153.6	81%	0.811	85%	0.847	S	S	*	*			trans	-162.4	122.5	138.5	57.8	0	0	0	0	109.3
569	D	31.3	Very low	31.9	Very low	152 Å²	152	148.5 Å²	148.5	81%	0.813	84%	0.844	S	S	*	*			trans	-47.4	140.8	172.9	-65.2	-60	0	0	0	113.4
570	D	29.3	Very low	31.4	Very low	157 Å²	157	146.1 Å²	146.1	84%	0.84	84%	0.842	S	S	*	*				175.3	109.3	122.1	-90.5	-26.4	0	0	0	110
571	E	33.9	Very low	31.1	Very low	174 Å²	174	145.9 Å²	145.9	81%	0.813	85%	0.845	S	S	*	*			trans	-65.5	149.9	156	-97.6	-164.4	166.9	0	0	109.8
572	P	41.6	Very low	31.3	Very low	114 Å²	114	147.2 Å²	147.2	74%	0.74	84%	0.844	S	S	*	*				-143.2	129.7	97.4	22.5	-0.5	0	0	0	115.8
573	T	33.4	Very low	31.4	Very low	98 Å²	98	148 Å²	148	60%	0.601	84%	0.837	S	S	*	*				43	129	128.8	25.7	0	0	0	0	123.1
574	R	35	Very low	31.9	Very low	236 Å²	236	154.3 Å²	154.3	89%	0.891	85%	0.845	S	S	*	*			trans	68.1	127.6	140.7	-67.2	175.3	-179.5	-169.2	0.2	115.8
575	L	34.8	Very low	32.1	Very low	241 Å²	241	153.6 Å²	153.6	100%	1.262	84%	0.843	S	S	*	*			cis	-150.6	0	43.9	-115.7	156.3	0	0	0	110.3

Retrieved 575 of 575 residues in 244.1 ms (Link to these results)

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