A0A087XN96_POEFO Loading...

Betaine-homocysteine methyltransferase

Involved in the regulation of homocysteine metabolism.

AlphaFold DB , UniProt , Accession A0A087XN96, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 397 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	49.3	Very low	85.9	Confident	241 Å²	241	75 Å²	75	100%	1.187	41%	0.411	S	S	*	.				0	141.7	0	-65	-179.1	-155.1	0	0	107.3
2	A	53	Low	87	Confident	91 Å²	91	78.5 Å²	78.5	75%	0.752	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-60.7	145.9	170	0	0	0	0	0	109.2	K4	A2-K4 PolarHBondContact O-N 3.43Å
3	P	71.4	Confident	87.8	Confident	124 Å²	124	77.4 Å²	77.4	81%	0.805	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-58.2	136.7	175.9	22.9	-31	0	0	0	110	K5	P3-K5 PolarHBondContact O-N 3.44Å
4	K	85.1	Confident	88.5	Confident	90 Å²	90	75.1 Å²	75.1	39%	0.391	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-59.1	132.8	175.3	-73.4	-178.4	174.4	-176.5	0	108.9	A2 A103 D104 G106 A108	A2-K4 PolarHBondContact O-N 3.43Å; K4-A103 PolarHBondContact NZ-O 2.86Å; K4-D104 IonicContact NZ-OD1 2.79Å; K4-G106 WeakPolarHBondContact CE-O 3.32Å; K4-G106 PolarHBondContact NZ-O 3.27Å; K4-A108 PolarHBondContact NZ-O 2.7Å
5	K	95.5	Very high	89.2	Confident	99 Å²	99	73.8 Å²	73.8	43%	0.43	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-66.5	131.8	175.2	-65.1	-175.7	-175.7	-179.1	0	109.9	P3 E9 R10 E15	P3-K5 PolarHBondContact O-N 3.44Å; K5-E9 HydrophobicContact CB-CB 4.25Å; K5-R10 HydrophobicContact CB-CG 3.77Å; K5-R10 HydrophobicContact CD-CG 4.4Å; K5-R10 PolarHBondContact O-NE 3.41Å; K5-E15 WeakPolarHBondContact CD-OE1 3.35Å; K5-E15 IonicContact NZ-OE1 2.64Å; K5-E15 PolarHBondContact NZ-OE1 3.04Å
6	G	98	Very high	89.8	Confident	17 Å²	17	69.8 Å²	69.8	18%	0.175	40%	0.404	C	S	.	.			trans	-69.1	174.5	170.7	0	0	0	0	0	112.5	L8 E9 R10	G6-L8 PolarHBondContact O-N 3.39Å; G6-E9 WeakPolarHBondContact CA-OE2 3.19Å; G6-E9 PolarHBondContact N-OE2 3.04Å; G6-E9 PolarHBondContact O-N 3.39Å; G6-R10 WeakPolarHBondContact O-CG 3.19Å; G6-R10 PolarHBondContact O-N 3.22Å; G6-R10 VanDerWaalsContact O-N 3.13Å
7	I	98.8	Very high	90.3	Very high	3 Å²	3	65.8 Å²	65.8	2%	0.015	38%	0.381	C	S	.	.	H	α-helix	trans	-65	-41.1	-170.6	-175.1	62	0	0	0	112.5	L11 V17 L109 F147 P172 I204 Y287	I7-L11 HydrophobicContact CD1-CD1 4.15Å; I7-L11 HydrophobicContact CD1-CG 4.48Å; I7-L11 HydrophobicContact CG1-CD1 4.04Å; I7-L11 WeakPolarHBondContact O-CG 3.34Å; I7-L11 PolarHBondContact O-N 2.63Å; I7-V17 HydrophobicContact CD1-CB 4.38Å; I7-V17 HydrophobicContact CD1-CG1 3.86Å; I7-V17 HydrophobicContact CD1-CG2 3.89Å; I7-L109 HydrophobicContact CB-CD1 3.86Å; I7-L109 HydrophobicContact CD1-CD1 4.44Å; I7-F147 HydrophobicContact CB-CB 4.47Å; I7-F147 HydrophobicContact CB-CD1 4.01Å; I7-F147 HydrophobicContact CB-CE1 4.38Å; I7-F147 HydrophobicContact CB-CG 4.15Å; I7-F147 HydrophobicContact CD1-CE1 4.39Å; I7-F147 HydrophobicContact CD1-CZ 4.35Å; I7-F147 HydrophobicContact CG1-CD1 4.36Å; I7-F147 HydrophobicContact CG1-CD2 4.41Å; I7-F147 HydrophobicContact CG1-CE1 4.36Å; I7-F147 HydrophobicContact CG1-CE2 4.4Å; I7-F147 HydrophobicContact CG1-CG 4.38Å; I7-F147 HydrophobicContact CG1-CZ 4.37Å; I7-F147 HydrophobicContact CG2-CB 3.65Å; I7-F147 HydrophobicContact CG2-CD1 4.13Å; I7-F147 HydrophobicContact CG2-CD2 4.35Å; I7-F147 HydrophobicContact CG2-CG 3.81Å; I7-P172 HydrophobicContact CG2-CB 3.62Å; I7-P172 HydrophobicContact CG2-CG 3.81Å; I7-I204 HydrophobicContact CD1-CD1 4.45Å; I7-I204 HydrophobicContact CG1-CD1 3.68Å; I7-Y287 HydrophobicContact CD1-CD2 4.37Å; I7-Y287 HydrophobicContact CD1-CE2 4.49Å
8	L	98.6	Very high	90.8	Very high	38 Å²	38	62.1 Å²	62.1	20%	0.199	36%	0.36	C	S	.	.	H	α-helix	trans	-73.9	-37.7	-179.9	-61	-175.6	0	0	0	110.7	G6 R10 L11 D12 P172 N203 I204	G6-L8 PolarHBondContact O-N 3.39Å; L8-R10 VanDerWaalsContact C-N 3.26Å; L8-R10 PolarHBondContact O-N 3.08Å; L8-L11 PolarHBondContact O-N 2.9Å; L8-D12 WeakPolarHBondContact O-CB 3.03Å; L8-D12 PolarHBondContact O-N 2.64Å; L8-P172 HydrophobicContact CD1-CB 3.97Å; L8-P172 HydrophobicContact CD1-CG 3.91Å; L8-P172 HydrophobicContact CD2-CB 4.27Å; L8-P172 HydrophobicContact CG-CB 3.88Å; L8-P172 HydrophobicContact CG-CG 3.92Å; L8-N203 HydrophobicContact CD1-CB 4.36Å; L8-N203 HydrophobicContact CD2-CB 3.66Å; L8-I204 HydrophobicContact CD2-CG1 4.48Å
9	E	98.5	Very high	91.2	Very high	109 Å²	109	58.8 Å²	58.8	51%	0.509	34%	0.341	S	S	.	.	H	α-helix	trans	-61.2	-35.8	176.4	-60.4	98.4	129	0	0	112.3	K5 G6 A13	K5-E9 HydrophobicContact CB-CB 4.25Å; G6-E9 WeakPolarHBondContact CA-OE2 3.19Å; G6-E9 PolarHBondContact N-OE2 3.04Å; G6-E9 PolarHBondContact O-N 3.39Å; E9-A13 WeakPolarHBondContact O-CB 3.22Å; E9-A13 PolarHBondContact O-N 3.11Å
10	R	98.6	Very high	91.6	Very high	8 Å²	8	56 Å²	56	3%	0.03	32%	0.324	C	S	.	.	H	α-helix	trans	-66.8	-52.4	173.8	-68.6	177	-176.6	-97.2	6.4	111.3	K5 G6 L8 A13 G14 E15 V17 D107	K5-R10 HydrophobicContact CB-CG 3.77Å; K5-R10 HydrophobicContact CD-CG 4.4Å; K5-R10 PolarHBondContact O-NE 3.41Å; G6-R10 WeakPolarHBondContact O-CG 3.19Å; G6-R10 PolarHBondContact O-N 3.22Å; G6-R10 VanDerWaalsContact O-N 3.13Å; L8-R10 VanDerWaalsContact C-N 3.26Å; L8-R10 PolarHBondContact O-N 3.08Å; R10-A13 PolarHBondContact O-N 3.31Å; R10-G14 PolarHBondContact O-N 3.24Å; R10-E15 HydrophobicContact CB-CB 4.22Å; R10-E15 WeakPolarHBondContact CG-OE2 3.12Å; R10-E15 IonicContact NH1-OE2 3.38Å; R10-E15 VanDerWaalsContact O-CB 3.23Å; R10-E15 WeakPolarHBondContact O-CB 3.33Å; R10-E15 WeakPolarHBondContact O-CG 3.48Å; R10-E15 PolarHBondContact O-N 3.34Å; R10-V17 HydrophobicContact CB-CG2 4.05Å; R10-D107 IonicContact CZ-OD1 2.96Å; R10-D107 IonicContact CZ-OD2 3.56Å; R10-D107 IonicContact NH1-OD1 2.85Å; R10-D107 IonicContact NH1-OD2 2.78Å; R10-D107 PolarHBondContact NH1-OD2 2.89Å; R10-D107 VanDerWaalsContact NH2-CG 3.29Å; R10-D107 IonicContact NH2-OD1 3.32Å; R10-D107 PolarHBondContact NH2-OD1 3.34Å; R10-D107 IonicContact NH2-OD2 2.7Å; R10-D107 PolarHBondContact NH2-OD2 2.73Å
11	L	98.6	Very high	91.9	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-67.5	-40.3	-175.3	-66.6	170.1	0	0	0	112.2	I7 L8 A13 G14 V17 I204 H235 R286	I7-L11 HydrophobicContact CD1-CD1 4.15Å; I7-L11 HydrophobicContact CD1-CG 4.48Å; I7-L11 HydrophobicContact CG1-CD1 4.04Å; I7-L11 WeakPolarHBondContact O-CG 3.34Å; I7-L11 PolarHBondContact O-N 2.63Å; L8-L11 PolarHBondContact O-N 2.9Å; L11-A13 VanDerWaalsContact C-N 3.27Å; L11-A13 PolarHBondContact O-N 3.13Å; L11-G14 WeakPolarHBondContact O-CA 3.47Å; L11-G14 PolarHBondContact O-N 3.41Å; L11-V17 HydrophobicContact CD2-CB 4.29Å; L11-V17 HydrophobicContact CD2-CG2 3.69Å; L11-V17 HydrophobicContact CG-CG2 4.03Å; L11-I204 HydrophobicContact CD1-CD1 3.47Å; L11-I204 VanDerWaalsContact CD1-CD1 3.47Å; L11-I204 HydrophobicContact CD1-CG1 3.87Å; L11-H235 HydrophobicContact CD1-CB 3.93Å; L11-R286 HydrophobicContact CD2-CB 3.77Å
12	D	98.4	Very high	94.1	Very high	117 Å²	117	42.3 Å²	42.3	63%	0.626	26%	0.257	S	S	*	.	H	α-helix	trans	-66.6	-29.9	176.2	-68.6	-17.6	0	0	0	111.9	L8 G14 H235	L8-D12 WeakPolarHBondContact O-CB 3.03Å; L8-D12 PolarHBondContact O-N 2.64Å; D12-G14 PolarHBondContact O-N 3.46Å; D12-H235 IonicContact OD1-CD2 3.14Å; D12-H235 IonicContact OD1-CE1 3.95Å; D12-H235 PolarHBondContact OD1-CE1 3.41Å; D12-H235 IonicContact OD1-NE2 2.99Å; D12-H235 PolarHBondContact OD1-NE2 2.86Å
13	A	98.1	Very high	96.3	Very high	64 Å²	64	38.9 Å²	38.9	53%	0.529	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-0.9	171.5	0	0	0	0	0	113.4	E9 R10 L11 E15	E9-A13 WeakPolarHBondContact O-CB 3.22Å; E9-A13 PolarHBondContact O-N 3.11Å; R10-A13 PolarHBondContact O-N 3.31Å; L11-A13 VanDerWaalsContact C-N 3.27Å; L11-A13 PolarHBondContact O-N 3.13Å; A13-E15 VanDerWaalsContact C-N 3.32Å; A13-E15 HydrophobicContact CB-CG 4.37Å
14	G	97.4	Very high	97.4	Very high	46 Å²	46	34 Å²	34	47%	0.474	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	12.3	-178.7	0	0	0	0	0	114.3	R10 L11 D12	R10-G14 PolarHBondContact O-N 3.24Å; L11-G14 WeakPolarHBondContact O-CA 3.47Å; L11-G14 PolarHBondContact O-N 3.41Å; D12-G14 PolarHBondContact O-N 3.46Å
15	E	98.4	Very high	98	Very high	55 Å²	55	30.4 Å²	30.4	26%	0.257	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-66.4	153.4	175.8	-60.6	178.9	-157.9	0	0	111.2	K5 R10 A13	K5-E15 WeakPolarHBondContact CD-OE1 3.35Å; K5-E15 IonicContact NZ-OE1 2.64Å; K5-E15 PolarHBondContact NZ-OE1 3.04Å; R10-E15 HydrophobicContact CB-CB 4.22Å; R10-E15 WeakPolarHBondContact CG-OE2 3.12Å; R10-E15 IonicContact NH1-OE2 3.38Å; R10-E15 VanDerWaalsContact O-CB 3.23Å; R10-E15 WeakPolarHBondContact O-CB 3.33Å; R10-E15 WeakPolarHBondContact O-CG 3.48Å; R10-E15 PolarHBondContact O-N 3.34Å; A13-E15 VanDerWaalsContact C-N 3.32Å; A13-E15 HydrophobicContact CB-CG 4.37Å
16	V	98.7	Very high	98.2	Very high	9 Å²	9	25.7 Å²	25.7	6%	0.055	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-95.1	116.9	168	-175.1	0	0	0	0	108.9	I18 Y281 I288 L306 R310	V16-I18 HydrophobicContact CG1-CD1 3.93Å; V16-Y281 HydrophobicContact CG2-CD2 3.72Å; V16-Y281 HydrophobicContact CG2-CE2 3.6Å; V16-I288 HydrophobicContact CG1-CD1 4.16Å; V16-L306 HydrophobicContact CG1-CD1 3.81Å; V16-R310 HydrophobicContact CB-CG 4.08Å
17	V	98.9	Very high	98.2	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.012	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	122	173.8	179.2	0	0	0	0	108.5	I7 R10 L11 N63 V64 R286 Y287 I288	I7-V17 HydrophobicContact CD1-CB 4.38Å; I7-V17 HydrophobicContact CD1-CG1 3.86Å; I7-V17 HydrophobicContact CD1-CG2 3.89Å; R10-V17 HydrophobicContact CB-CG2 4.05Å; L11-V17 HydrophobicContact CD2-CB 4.29Å; L11-V17 HydrophobicContact CD2-CG2 3.69Å; L11-V17 HydrophobicContact CG-CG2 4.03Å; V17-N63 HydrophobicContact CG1-CB 4.08Å; V17-V64 HydrophobicContact CG1-CG2 3.77Å; V17-R286 PolarHBondContact N-O 3.06Å; V17-Y287 HydrophobicContact CB-CD2 4.41Å; V17-Y287 HydrophobicContact CG1-CD2 3.97Å; V17-Y287 HydrophobicContact CG1-CE2 4.14Å; V17-Y287 HydrophobicContact CG1-CG 4.41Å; V17-Y287 WeakPolarHBondContact O-CA 3.36Å; V17-I288 PolarHBondContact O-N 2.79Å
18	I	98.9	Very high	98.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.2	175.2	-55.3	-58.4	0	0	0	108.8	V16 G61 S62 N63 I288 I299 V302 L306	V16-I18 HydrophobicContact CG1-CD1 3.93Å; I18-G61 WeakPolarHBondContact CB-O 3.42Å; I18-S62 PolarHBondContact O-OG 3.5Å; I18-N63 PolarHBondContact N-OD1 3.11Å; I18-N63 VanDerWaalsContact N-OD1 3.14Å; I18-N63 PolarHBondContact O-N 2.85Å; I18-I288 WeakPolarHBondContact CA-O 3.48Å; I18-I299 HydrophobicContact CG2-CG2 3.76Å; I18-V302 HydrophobicContact CD1-CG1 3.87Å; I18-L306 HydrophobicContact CD1-CD1 4.4Å
19	G	98.8	Very high	98.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-73.4	168.2	171.4	0	0	0	0	0	112	S62 I288	G19-S62 VanDerWaalsContact C-OG 3.26Å; G19-S62 PolarHBondContact O-OG 3.02Å; G19-I288 PolarHBondContact N-O 2.99Å
20	D	98.4	Very high	98.1	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.011	16%	0.161	C	C	.	.			trans	-80.9	-164.7	166.3	59.1	6.4	0	0	0	111.3	F23 F57 S62 V64 Q66 G290 I299	D20-F23 HydrophobicContact CB-CE2 4.46Å; D20-F57 HydrophobicContact CB-CB 4.04Å; D20-F57 HydrophobicContact CB-CD2 4.17Å; D20-F57 HydrophobicContact CB-CG 4.03Å; D20-S62 PolarHBondContact N-OG 3.3Å; D20-V64 WeakPolarHBondContact CB-O 3.48Å; D20-Q66 PolarHBondContact OD2-N 2.83Å; D20-G290 PolarHBondContact O-N 2.76Å; D20-I299 VanDerWaalsContact O-CD1 3.24Å; D20-I299 WeakPolarHBondContact O-CD1 3.1Å
21	G	97.5	Very high	98.1	Very high	7 Å²	7	31.3 Å²	31.3	7%	0.072	19%	0.191	C	C	.	.			trans	-122.2	-157.1	-173.7	0	0	0	0	0	114.3	F23	G21-F23 PolarHBondContact O-N 2.85Å; G21-F23 VanDerWaalsContact O-N 3.09Å
22	G	96.9	Very high	98	Very high	3 Å²	3	35.6 Å²	35.6	3%	0.031	21%	0.208	C	C	.	.			trans	-84.3	84	-168.8	0	0	0	0	0	114.3	V24 A26 C291 F294	G22-V24 PolarHBondContact O-N 3.14Å; G22-A26 WeakPolarHBondContact O-CB 3.4Å; G22-A26 PolarHBondContact O-N 3.24Å; G22-C291 WeakPolarHBondContact CA-O 3.29Å; G22-C291 PolarHBondContact N-O 2.99Å; G22-F294 PolarHBondContact N-O 3.35Å
23	F	98.1	Very high	97.9	Very high	18 Å²	18	30.4 Å²	30.4	8%	0.079	18%	0.18	C	C	.	.	H	α-helix	trans	-53.3	-53.5	-179.8	-95.1	-100.8	0	0	0	114.3	D20 G21 I25 A26 L27 V50 L53 H54 F57 F68	D20-F23 HydrophobicContact CB-CE2 4.46Å; G21-F23 PolarHBondContact O-N 2.85Å; G21-F23 VanDerWaalsContact O-N 3.09Å; F23-I25 PolarHBondContact O-N 3.05Å; F23-A26 PolarHBondContact O-N 3.14Å; F23-L27 HydrophobicContact CD1-CD1 4.16Å; F23-L27 WeakPolarHBondContact O-CB 3.38Å; F23-L27 WeakPolarHBondContact O-CG 3.38Å; F23-L27 PolarHBondContact O-N 2.76Å; F23-V50 HydrophobicContact CE1-CG1 4.43Å; F23-L53 HydrophobicContact CD1-CD2 3.71Å; F23-L53 HydrophobicContact CD1-CG 4.24Å; F23-L53 HydrophobicContact CE1-CB 4.14Å; F23-L53 HydrophobicContact CE1-CD2 3.87Å; F23-L53 HydrophobicContact CE1-CG 3.88Å; F23-L53 HydrophobicContact CG-CD2 4.08Å; F23-L53 HydrophobicContact CZ-CB 4.47Å; F23-L53 HydrophobicContact CZ-CD2 4.35Å; F23-L53 HydrophobicContact CZ-CG 4.01Å; F23-H54 AromaticContact CE1-CD2 3.81Å; F23-H54 AromaticContact CE1-CE1 3.59Å; F23-H54 AromaticContact CE1-CG 3.95Å; F23-H54 AromaticContact CE1-ND1 3.86Å; F23-H54 AromaticContact CE1-NE2 3.57Å; F23-H54 AromaticContact CE2-CE1 3.98Å; F23-H54 AromaticContact CE2-ND1 3.96Å; F23-H54 HydrophobicContact CZ-CB 4.32Å; F23-H54 AromaticContact CZ-CD2 3.89Å; F23-H54 AromaticContact CZ-CE1 3.25Å; F23-H54 WeakPolarHBondContact CZ-CE1 3.47Å; F23-H54 AromaticContact CZ-CG 3.56Å; F23-H54 AromaticContact CZ-ND1 3.18Å; F23-H54 WeakPolarHBondContact CZ-ND1 3.45Å; F23-H54 AromaticContact CZ-NE2 3.72Å; F23-F57 HydrophobicContact CD2-CD2 4.2Å; F23-F57 AromaticContact CD2-CE2 3.79Å; F23-F57 HydrophobicContact CD2-CE2 3.79Å; F23-F57 AromaticContact CE2-CD2 3.42Å; F23-F57 HydrophobicContact CE2-CD2 3.42Å; F23-F57 VanDerWaalsContact CE2-CD2 3.42Å; F23-F57 AromaticContact CE2-CE2 3.48Å; F23-F57 HydrophobicContact CE2-CE2 3.48Å; F23-F57 VanDerWaalsContact CE2-CE2 3.48Å; F23-F57 AromaticContact CZ-CD2 3.82Å; F23-F57 HydrophobicContact CZ-CD2 3.82Å; F23-F57 HydrophobicContact CZ-CE2 4.06Å; F23-F68 HydrophobicContact CB-CD2 3.96Å; F23-F68 HydrophobicContact CB-CE2 4.22Å; F23-F68 HydrophobicContact CD1-CB 4.34Å; F23-F68 HydrophobicContact CD1-CD2 4.17Å; F23-F68 HydrophobicContact CD1-CG 4.25Å; F23-F68 HydrophobicContact CG-CD2 4.4Å
24	V	96.2	Very high	97.6	Very high	23 Å²	23	33.6 Å²	33.6	14%	0.139	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-46.9	-172.1	-70.6	0	0	0	0	112.6	G22 E28 W38 F68	G22-V24 PolarHBondContact O-N 3.14Å; V24-E28 WeakPolarHBondContact O-CB 3.5Å; V24-E28 PolarHBondContact O-N 3.41Å; V24-W38 HydrophobicContact CB-CE3 4.46Å; V24-F68 HydrophobicContact CG1-CE2 3.79Å
25	I	97	Very high	97.3	Very high	13 Å²	13	32.4 Å²	32.4	7%	0.067	17%	0.168	C	C	.	.	H	α-helix	trans	-72.4	-39	179.4	-62.3	-60.3	0	0	0	111.1	F23 L27 E28 K29 W38 C292	F23-I25 PolarHBondContact O-N 3.05Å; I25-L27 VanDerWaalsContact C-N 3.34Å; I25-L27 PolarHBondContact O-N 3.41Å; I25-E28 PolarHBondContact O-N 2.85Å; I25-K29 HydrophobicContact CG2-CD 4.27Å; I25-K29 WeakPolarHBondContact O-CG 3.2Å; I25-K29 PolarHBondContact O-N 3.12Å; I25-K29 VanDerWaalsContact O-N 3.07Å; I25-W38 HydrophobicContact CD1-CE3 4.48Å; I25-W38 HydrophobicContact CD1-CH2 3.62Å; I25-W38 HydrophobicContact CD1-CZ2 4.4Å; I25-W38 HydrophobicContact CD1-CZ3 3.66Å; I25-C292 HydrophobicContact CG1-CB 3.86Å
26	A	98.6	Very high	96.7	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-40.5	177.7	0	0	0	0	0	111.5	G22 F23 R30 L53	G22-A26 WeakPolarHBondContact O-CB 3.4Å; G22-A26 PolarHBondContact O-N 3.24Å; F23-A26 PolarHBondContact O-N 3.14Å; A26-R30 WeakPolarHBondContact O-CB 3.31Å; A26-R30 WeakPolarHBondContact O-CD 3.29Å; A26-R30 WeakPolarHBondContact O-CG 3.36Å; A26-R30 PolarHBondContact O-N 3.33Å; A26-L53 HydrophobicContact CB-CD1 4.35Å; A26-L53 HydrophobicContact CB-CD2 3.89Å
27	L	98.5	Very high	96	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-74.9	-29.5	177	-71.9	171.6	0	0	0	113	F23 I25 R30 G31 Y32 V33 A49 V50 L53 F68	F23-L27 HydrophobicContact CD1-CD1 4.16Å; F23-L27 WeakPolarHBondContact O-CB 3.38Å; F23-L27 WeakPolarHBondContact O-CG 3.38Å; F23-L27 PolarHBondContact O-N 2.76Å; I25-L27 VanDerWaalsContact C-N 3.34Å; I25-L27 PolarHBondContact O-N 3.41Å; L27-R30 CarbonylContact O-C 3.45Å; L27-R30 PolarHBondContact O-N 3.33Å; L27-G31 PolarHBondContact O-N 2.86Å; L27-G31 VanDerWaalsContact O-N 3.09Å; L27-Y32 HydrophobicContact CD2-CD2 4.22Å; L27-Y32 PolarHBondContact O-N 3.15Å; L27-V33 HydrophobicContact CB-CB 4.16Å; L27-V33 HydrophobicContact CB-CG2 3.52Å; L27-V33 HydrophobicContact CD1-CG2 4.26Å; L27-V33 PolarHBondContact O-N 3.09Å; L27-A49 HydrophobicContact CD2-CB 4.47Å; L27-V50 HydrophobicContact CD1-CG2 4.1Å; L27-L53 HydrophobicContact CD1-CD2 4.27Å; L27-L53 HydrophobicContact CD2-CD2 4.01Å; L27-L53 HydrophobicContact CG-CD2 3.7Å; L27-F68 HydrophobicContact CD1-CD1 4.07Å; L27-F68 HydrophobicContact CD1-CE1 3.56Å; L27-F68 HydrophobicContact CD1-CE2 4.14Å; L27-F68 HydrophobicContact CD1-CZ 3.61Å
28	E	98.3	Very high	95.6	Very high	52 Å²	52	34.6 Å²	34.6	24%	0.243	19%	0.191	C	C	.	.	H	α-helix	trans	-64	-48.7	172.7	-174.8	-82.2	165.4	0	0	110.8	V24 I25 R30 G31 V33 A35 W38	V24-E28 WeakPolarHBondContact O-CB 3.5Å; V24-E28 PolarHBondContact O-N 3.41Å; I25-E28 PolarHBondContact O-N 2.85Å; E28-R30 PolarHBondContact O-N 2.83Å; E28-R30 VanDerWaalsContact O-N 3.14Å; E28-G31 PolarHBondContact O-N 2.68Å; E28-V33 WeakPolarHBondContact CA-O 3.4Å; E28-V33 HydrophobicContact CB-CB 4.13Å; E28-V33 HydrophobicContact CB-CG1 4.35Å; E28-V33 WeakPolarHBondContact CG-O 3.41Å; E28-A35 HydrophobicContact CG-CB 4.09Å; E28-W38 HydrophobicContact CB-CE3 4.47Å; E28-W38 HydrophobicContact CB-CH2 4.47Å; E28-W38 HydrophobicContact CB-CZ3 3.65Å; E28-W38 HydrophobicContact CG-CH2 4.04Å; E28-W38 HydrophobicContact CG-CZ3 3.6Å
29	K	98.3	Very high	95.2	Very high	93 Å²	93	34.6 Å²	34.6	40%	0.404	19%	0.191	S	C	.	.	H	α-helix	trans	-60.9	-26.1	174.6	-69.3	175.3	-176.9	175.6	0	113.4	I25	I25-K29 HydrophobicContact CG2-CD 4.27Å; I25-K29 WeakPolarHBondContact O-CG 3.2Å; I25-K29 PolarHBondContact O-N 3.12Å; I25-K29 VanDerWaalsContact O-N 3.07Å
30	R	98.5	Very high	95	Very high	83 Å²	83	34.7 Å²	34.7	31%	0.313	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.5	175.9	-67.6	169.6	-163.6	-141.7	1	113.2	A26 L27 E28 Y32 E56 E295	A26-R30 WeakPolarHBondContact O-CB 3.31Å; A26-R30 WeakPolarHBondContact O-CD 3.29Å; A26-R30 WeakPolarHBondContact O-CG 3.36Å; A26-R30 PolarHBondContact O-N 3.33Å; L27-R30 CarbonylContact O-C 3.45Å; L27-R30 PolarHBondContact O-N 3.33Å; E28-R30 PolarHBondContact O-N 2.83Å; E28-R30 VanDerWaalsContact O-N 3.14Å; R30-Y32 HydrophobicContact CB-CD2 3.67Å; R30-Y32 HydrophobicContact CB-CE2 3.93Å; R30-Y32 WeakPolarHBondContact O-CD2 3.45Å; R30-Y32 WeakPolarHBondContact O-CE2 3.36Å; R30-E56 IonicContact CZ-OE2 3.43Å; R30-E56 VanDerWaalsContact CZ-OE2 3.24Å; R30-E56 IonicContact NH1-OE1 3.35Å; R30-E56 PolarHBondContact NH1-OE1 2.85Å; R30-E56 IonicContact NH1-OE2 2.8Å; R30-E56 PolarHBondContact NH1-OE2 3.21Å; R30-E56 IonicContact NH2-OE2 3.63Å; R30-E56 PolarHBondContact NH2-OE2 2.81Å; R30-E295 IonicContact NH2-OE2 3.58Å
31	G	97.9	Very high	94.7	Very high	65 Å²	65	36.3 Å²	36.3	67%	0.67	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.7	19.3	176.5	0	0	0	0	0	115.4	L27 E28	L27-G31 PolarHBondContact O-N 2.86Å; L27-G31 VanDerWaalsContact O-N 3.09Å; E28-G31 PolarHBondContact O-N 2.68Å
32	Y	96.8	Very high	94.6	Very high	94 Å²	94	36 Å²	36	37%	0.369	20%	0.196	S	C	.	.	S	Bend	trans	-110.6	-13.8	-178.5	-60.8	-71.4	0	0	0	114	L27 R30 A42 Y46 A49	L27-Y32 HydrophobicContact CD2-CD2 4.22Å; L27-Y32 PolarHBondContact O-N 3.15Å; R30-Y32 HydrophobicContact CB-CD2 3.67Å; R30-Y32 HydrophobicContact CB-CE2 3.93Å; R30-Y32 WeakPolarHBondContact O-CD2 3.45Å; R30-Y32 WeakPolarHBondContact O-CE2 3.36Å; Y32-A42 WeakPolarHBondContact O-CB 3.31Å; Y32-Y46 HydrophobicContact CD1-CD1 4.18Å; Y32-Y46 AromaticContact CD1-CD2 3.87Å; Y32-Y46 HydrophobicContact CD1-CD2 3.87Å; Y32-Y46 AromaticContact CD1-CG 3.63Å; Y32-Y46 HydrophobicContact CD1-CG 3.63Å; Y32-Y46 HydrophobicContact CE1-CD1 4.09Å; Y32-Y46 AromaticContact CE1-CG 3.95Å; Y32-Y46 HydrophobicContact CE1-CG 3.95Å; Y32-A49 HydrophobicContact CD1-CB 3.86Å; Y32-A49 HydrophobicContact CD2-CB 3.53Å; Y32-A49 HydrophobicContact CE1-CB 3.77Å; Y32-A49 HydrophobicContact CE2-CB 3.43Å; Y32-A49 VanDerWaalsContact CE2-CB 3.43Å; Y32-A49 HydrophobicContact CG-CB 3.74Å
33	V	95.1	Very high	94.6	Very high	8 Å²	8	35.9 Å²	35.9	5%	0.048	20%	0.195	C	C	.	.	S	Bend	trans	-122.9	142.3	174.9	171	0	0	0	0	108.5	L27 E28 W38 F68	L27-V33 HydrophobicContact CB-CB 4.16Å; L27-V33 HydrophobicContact CB-CG2 3.52Å; L27-V33 HydrophobicContact CD1-CG2 4.26Å; L27-V33 PolarHBondContact O-N 3.09Å; E28-V33 WeakPolarHBondContact CA-O 3.4Å; E28-V33 HydrophobicContact CB-CB 4.13Å; E28-V33 HydrophobicContact CB-CG1 4.35Å; E28-V33 WeakPolarHBondContact CG-O 3.41Å; V33-W38 HydrophobicContact CG1-CE3 3.88Å; V33-F68 HydrophobicContact CG2-CE1 4.32Å; V33-F68 HydrophobicContact CG2-CZ 3.64Å
34	K	92.1	Very high	94.5	Very high	132 Å²	132	36.4 Å²	36.4	57%	0.574	20%	0.203	S	C	*	.			trans	-96.6	124	177	-173.1	178.3	178.2	-176.3	0	110.6	G36 W38	K34-G36 PolarHBondContact O-N 3.19Å; K34-W38 PolarHBondContact O-N 3.08Å; K34-W38 VanDerWaalsContact O-N 3.13Å
35	A	90.6	Very high	94.5	Very high	20 Å²	20	38.4 Å²	38.4	17%	0.165	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	131.9	168.6	0	0	0	0	0	111.2	E28 W38 F261	E28-A35 HydrophobicContact CG-CB 4.09Å; A35-W38 HydrophobicContact CB-CH2 3.4Å; A35-W38 VanDerWaalsContact CB-CH2 3.4Å; A35-W38 HydrophobicContact CB-CZ2 3.5Å; A35-W38 HydrophobicContact CB-CZ3 4.03Å; A35-F261 HydrophobicContact CB-CE1 3.48Å; A35-F261 VanDerWaalsContact CB-CE1 3.48Å; A35-F261 HydrophobicContact CB-CZ 3.42Å; A35-F261 VanDerWaalsContact CB-CZ 3.42Å
36	G	86.7	Confident	94.5	Very high	55 Å²	55	43.4 Å²	43.4	57%	0.567	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	122.8	-84.8	-172.5	0	0	0	0	0	110.3	K34 W38	K34-G36 PolarHBondContact O-N 3.19Å; G36-W38 PolarHBondContact O-NE1 3.32Å
37	P	83.4	Confident	94.5	Very high	15 Å²	15	45.4 Å²	45.4	10%	0.097	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-29	176.6	31.5	-34.9	0	0	0	112.7	T39 Y71	P37-T39 HydrophobicContact CB-CG2 3.95Å; P37-T39 PolarHBondContact O-N 2.9Å; P37-Y71 WeakPolarHBondContact O-CD1 3.32Å; P37-Y71 WeakPolarHBondContact O-CE1 3.26Å
38	W	90.8	Very high	94.5	Very high	43 Å²	43	50.9 Å²	50.9	16%	0.163	27%	0.268	C	S	.	.			trans	55.5	30.4	179.5	-54.3	105.3	0	0	0	114.4	V24 I25 E28 V33 K34 A35 G36 P260	V24-W38 HydrophobicContact CB-CE3 4.46Å; I25-W38 HydrophobicContact CD1-CE3 4.48Å; I25-W38 HydrophobicContact CD1-CH2 3.62Å; I25-W38 HydrophobicContact CD1-CZ2 4.4Å; I25-W38 HydrophobicContact CD1-CZ3 3.66Å; E28-W38 HydrophobicContact CB-CE3 4.47Å; E28-W38 HydrophobicContact CB-CH2 4.47Å; E28-W38 HydrophobicContact CB-CZ3 3.65Å; E28-W38 HydrophobicContact CG-CH2 4.04Å; E28-W38 HydrophobicContact CG-CZ3 3.6Å; V33-W38 HydrophobicContact CG1-CE3 3.88Å; K34-W38 PolarHBondContact O-N 3.08Å; K34-W38 VanDerWaalsContact O-N 3.13Å; A35-W38 HydrophobicContact CB-CH2 3.4Å; A35-W38 VanDerWaalsContact CB-CH2 3.4Å; A35-W38 HydrophobicContact CB-CZ2 3.5Å; A35-W38 HydrophobicContact CB-CZ3 4.03Å; G36-W38 PolarHBondContact O-NE1 3.32Å; W38-P260 HydrophobicContact CH2-CB 4.22Å; W38-P260 HydrophobicContact CH2-CG 4.49Å; W38-P260 HydrophobicContact CZ2-CB 3.89Å; W38-P260 HydrophobicContact CZ2-CG 3.97Å
39	T	91.1	Very high	94.5	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.			trans	-75	150.7	-176.5	44.9	0	0	0	0	111.8	P37 E41 Y71 L77	P37-T39 HydrophobicContact CB-CG2 3.95Å; P37-T39 PolarHBondContact O-N 2.9Å; T39-E41 WeakPolarHBondContact CB-OE2 3.49Å; T39-E41 VanDerWaalsContact O-OE2 3.09Å; T39-E41 VanDerWaalsContact OG1-CD 3.27Å; T39-E41 PolarHBondContact OG1-OE1 3.08Å; T39-E41 PolarHBondContact OG1-OE2 3.1Å; T39-Y71 HydrophobicContact CG2-CD1 3.51Å; T39-Y71 HydrophobicContact CG2-CE1 3.82Å; T39-L77 HydrophobicContact CG2-CD2 3.86Å
40	P	93.9	Very high	94.5	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	24%	0.242	C	C	.	.			trans	-101.9	30.6	-173.9	37.6	-32.5	0	0	0	114.6	A42 A43 F68 Y71 A72 I91	P40-A42 PolarHBondContact O-N 2.76Å; P40-A43 WeakPolarHBondContact O-CB 3.48Å; P40-A43 PolarHBondContact O-N 3.35Å; P40-F68 VanDerWaalsContact CA-CE1 3.49Å; P40-F68 HydrophobicContact CB-CD1 3.6Å; P40-F68 HydrophobicContact CB-CD2 3.95Å; P40-F68 HydrophobicContact CB-CE1 3.37Å; P40-F68 HydrophobicContact CB-CE2 3.73Å; P40-F68 HydrophobicContact CB-CG 3.88Å; P40-F68 HydrophobicContact CB-CZ 3.42Å; P40-F68 VanDerWaalsContact CB-CZ 3.42Å; P40-F68 WeakPolarHBondContact CB-O 3.47Å; P40-Y71 WeakPolarHBondContact CD-O 3.38Å; P40-A72 HydrophobicContact CG-CB 3.67Å; P40-I91 HydrophobicContact CB-CG2 4.35Å; P40-I91 HydrophobicContact CG-CG2 3.82Å; P40-I91 WeakPolarHBondContact O-CG2 3.21Å
41	E	93	Very high	94.5	Very high	36 Å²	36	43.6 Å²	43.6	17%	0.168	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-21.9	177.1	63.4	-87.3	-155.1	0	0	113.4	T39 A43 A44 E45 I91	T39-E41 WeakPolarHBondContact CB-OE2 3.49Å; T39-E41 VanDerWaalsContact O-OE2 3.09Å; T39-E41 VanDerWaalsContact OG1-CD 3.27Å; T39-E41 PolarHBondContact OG1-OE1 3.08Å; T39-E41 PolarHBondContact OG1-OE2 3.1Å; E41-A43 PolarHBondContact O-N 2.94Å; E41-A43 VanDerWaalsContact O-N 3.09Å; E41-A44 PolarHBondContact O-N 3.39Å; E41-E45 PolarHBondContact O-N 2.64Å; E41-I91 HydrophobicContact CB-CD1 4.14Å
42	A	95.6	Very high	94.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-57	-22	172.6	0	0	0	0	0	114	Y32 P40 A44 Y46 V50 F68	Y32-A42 WeakPolarHBondContact O-CB 3.31Å; P40-A42 PolarHBondContact O-N 2.76Å; A42-A44 PolarHBondContact O-N 3.16Å; A42-Y46 HydrophobicContact CB-CD2 4.26Å; A42-Y46 CarbonylContact O-C 3.53Å; A42-Y46 WeakPolarHBondContact O-CA 3.38Å; A42-Y46 PolarHBondContact O-N 2.7Å; A42-V50 HydrophobicContact CB-CG2 4.17Å; A42-F68 HydrophobicContact CB-CE1 4.32Å
43	A	97.1	Very high	94.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-60.3	-34.8	171.3	0	0	0	0	0	112.3	P40 E41 F68 I91 A94 A95 L98	P40-A43 WeakPolarHBondContact O-CB 3.48Å; P40-A43 PolarHBondContact O-N 3.35Å; E41-A43 PolarHBondContact O-N 2.94Å; E41-A43 VanDerWaalsContact O-N 3.09Å; A43-F68 HydrophobicContact CB-CD1 4.38Å; A43-I91 HydrophobicContact CB-CG2 4.48Å; A43-A94 HydrophobicContact CB-CB 4.37Å; A43-A95 HydrophobicContact CB-CB 3.86Å; A43-L98 HydrophobicContact CB-CD1 4.33Å; A43-L98 WeakPolarHBondContact O-CD1 3.48Å
44	A	95.3	Very high	94.9	Very high	30 Å²	30	39.9 Å²	39.9	25%	0.248	21%	0.207	C	C	.	.	H	α-helix	trans	-95.8	-36.5	177.5	0	0	0	0	0	112.5	E41 A42 F86 A94	E41-A44 PolarHBondContact O-N 3.39Å; A42-A44 PolarHBondContact O-N 3.16Å; A44-F86 HydrophobicContact CB-CD1 3.9Å; A44-F86 HydrophobicContact CB-CD2 3.92Å; A44-F86 HydrophobicContact CB-CE1 3.91Å; A44-F86 HydrophobicContact CB-CE2 3.96Å; A44-F86 HydrophobicContact CB-CG 3.89Å; A44-F86 HydrophobicContact CB-CZ 3.94Å; A44-A94 HydrophobicContact CB-CB 4.48Å
45	E	95.6	Very high	95.2	Very high	64 Å²	64	37.8 Å²	37.8	30%	0.299	20%	0.195	S	C	.	.	H	α-helix	trans	-80.8	-39.5	-176.5	-68.2	-170.3	160.2	0	0	113.6	E41 P47 F86	E41-E45 PolarHBondContact O-N 2.64Å; E45-P47 VanDerWaalsContact C-CD 3.47Å; E45-F86 HydrophobicContact CG-CD2 4.2Å; E45-F86 HydrophobicContact CG-CE2 3.51Å; E45-F86 HydrophobicContact CG-CZ 4.42Å
46	Y	97.6	Very high	95.6	Very high	118 Å²	118	39.2 Å²	39.2	46%	0.463	20%	0.198	S	C	.	.			trans	-134.9	56.4	-172.6	-53.1	-74.9	0	0	0	111.3	Y32 A42 E48 A49	Y32-Y46 HydrophobicContact CD1-CD1 4.18Å; Y32-Y46 AromaticContact CD1-CD2 3.87Å; Y32-Y46 HydrophobicContact CD1-CD2 3.87Å; Y32-Y46 AromaticContact CD1-CG 3.63Å; Y32-Y46 HydrophobicContact CD1-CG 3.63Å; Y32-Y46 HydrophobicContact CE1-CD1 4.09Å; Y32-Y46 AromaticContact CE1-CG 3.95Å; Y32-Y46 HydrophobicContact CE1-CG 3.95Å; A42-Y46 HydrophobicContact CB-CD2 4.26Å; A42-Y46 CarbonylContact O-C 3.53Å; A42-Y46 WeakPolarHBondContact O-CA 3.38Å; A42-Y46 PolarHBondContact O-N 2.7Å; Y46-E48 PolarHBondContact O-N 3.43Å; Y46-E48 VanDerWaalsContact O-N 3.08Å; Y46-A49 WeakPolarHBondContact O-CB 3.36Å; Y46-A49 PolarHBondContact O-N 3.33Å
47	P	98.2	Very high	96.2	Very high	43 Å²	43	36.6 Å²	36.6	28%	0.279	17%	0.171	S	C	.	.	H	α-helix	trans	-57.9	-30.3	-171.5	21.7	-34.2	0	0	0	113.8	E45 V50 R51 L98	E45-P47 VanDerWaalsContact C-CD 3.47Å; P47-V50 PolarHBondContact O-N 2.66Å; P47-R51 VanDerWaalsContact O-CB 3.26Å; P47-R51 WeakPolarHBondContact O-CB 3.48Å; P47-R51 PolarHBondContact O-N 2.82Å; P47-L98 HydrophobicContact CB-CD1 3.99Å; P47-L98 HydrophobicContact CB-CD2 3.91Å
48	E	98.6	Very high	96.9	Very high	115 Å²	115	37.1 Å²	37.1	54%	0.537	17%	0.173	S	C	.	.	H	α-helix	trans	-64.8	-37.2	176.5	-62.8	-51.8	139.4	0	0	112.8	Y46 R51 Q52	Y46-E48 PolarHBondContact O-N 3.43Å; Y46-E48 VanDerWaalsContact O-N 3.08Å; E48-R51 PolarHBondContact O-N 2.99Å; E48-R51 IonicContact OE1-CZ 2.66Å; E48-R51 IonicContact OE1-NH1 2.76Å; E48-R51 PolarHBondContact OE1-NH1 2.98Å; E48-R51 IonicContact OE1-NH2 3.33Å; E48-R51 IonicContact OE2-CZ 2.7Å; E48-R51 IonicContact OE2-NH1 2.76Å; E48-R51 PolarHBondContact OE2-NH1 3.27Å; E48-Q52 WeakPolarHBondContact O-CB 3.23Å; E48-Q52 PolarHBondContact O-N 3.42Å
49	A	98.7	Very high	97.3	Very high	14 Å²	14	40 Å²	40	12%	0.116	18%	0.184	C	C	.	.	H	α-helix	trans	-66.1	-44.5	179.2	0	0	0	0	0	111	L27 Y32 Y46 Q52 L53	L27-A49 HydrophobicContact CD2-CB 4.47Å; Y32-A49 HydrophobicContact CD1-CB 3.86Å; Y32-A49 HydrophobicContact CD2-CB 3.53Å; Y32-A49 HydrophobicContact CE1-CB 3.77Å; Y32-A49 HydrophobicContact CE2-CB 3.43Å; Y32-A49 VanDerWaalsContact CE2-CB 3.43Å; Y32-A49 HydrophobicContact CG-CB 3.74Å; Y46-A49 WeakPolarHBondContact O-CB 3.36Å; Y46-A49 PolarHBondContact O-N 3.33Å; A49-Q52 PolarHBondContact O-N 3.18Å; A49-L53 PolarHBondContact O-N 2.89Å; A49-L53 VanDerWaalsContact O-N 3.12Å
50	V	98.8	Very high	97.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66	-45.9	176.9	178.9	0	0	0	0	110.6	F23 L27 A42 P47 Q52 L53 H54 F68 L98	F23-V50 HydrophobicContact CE1-CG1 4.43Å; L27-V50 HydrophobicContact CD1-CG2 4.1Å; A42-V50 HydrophobicContact CB-CG2 4.17Å; P47-V50 PolarHBondContact O-N 2.66Å; V50-Q52 VanDerWaalsContact C-N 3.34Å; V50-Q52 PolarHBondContact O-N 3.24Å; V50-L53 PolarHBondContact O-N 3.14Å; V50-H54 PolarHBondContact O-CD2 2.96Å; V50-H54 VanDerWaalsContact O-CD2 3.31Å; V50-H54 PolarHBondContact O-N 3.35Å; V50-F68 HydrophobicContact CG1-CB 4.23Å; V50-F68 HydrophobicContact CG1-CD1 4.08Å; V50-F68 HydrophobicContact CG2-CD1 3.93Å; V50-F68 HydrophobicContact CG2-CE1 4.2Å; V50-L98 HydrophobicContact CB-CD1 3.99Å; V50-L98 HydrophobicContact CG1-CD1 3.92Å
51	R	98.9	Very high	97.9	Very high	61 Å²	61	40.5 Å²	40.5	23%	0.23	19%	0.189	C	C	.	.	H	α-helix	trans	-59.4	-44.6	176.8	-167.6	179.5	-57.9	128.9	4	112.1	P47 E48 L53 H54 R55 L98 V102	P47-R51 VanDerWaalsContact O-CB 3.26Å; P47-R51 WeakPolarHBondContact O-CB 3.48Å; P47-R51 PolarHBondContact O-N 2.82Å; E48-R51 PolarHBondContact O-N 2.99Å; E48-R51 IonicContact OE1-CZ 2.66Å; E48-R51 IonicContact OE1-NH1 2.76Å; E48-R51 PolarHBondContact OE1-NH1 2.98Å; E48-R51 IonicContact OE1-NH2 3.33Å; E48-R51 IonicContact OE2-CZ 2.7Å; E48-R51 IonicContact OE2-NH1 2.76Å; E48-R51 PolarHBondContact OE2-NH1 3.27Å; R51-L53 VanDerWaalsContact C-N 3.31Å; R51-L53 PolarHBondContact O-N 3.4Å; R51-H54 PolarHBondContact O-N 3.34Å; R51-R55 WeakPolarHBondContact O-CG 3.3Å; R51-R55 PolarHBondContact O-N 3.35Å; R51-L98 HydrophobicContact CB-CD2 4.23Å; R51-L98 VanDerWaalsContact NH2-CD2 3.34Å; R51-V102 HydrophobicContact CG-CG2 3.57Å
52	Q	98.9	Very high	98.2	Very high	89 Å²	89	38.9 Å²	38.9	42%	0.416	18%	0.182	S	C	.	.	H	α-helix	trans	-62.7	-40.4	180	178.8	54.8	33	0	0	111.1	E48 A49 V50 R55 E56	E48-Q52 WeakPolarHBondContact O-CB 3.23Å; E48-Q52 PolarHBondContact O-N 3.42Å; A49-Q52 PolarHBondContact O-N 3.18Å; V50-Q52 VanDerWaalsContact C-N 3.34Å; V50-Q52 PolarHBondContact O-N 3.24Å; Q52-R55 PolarHBondContact O-N 2.88Å; Q52-E56 WeakPolarHBondContact CG-OE1 3.33Å; Q52-E56 PolarHBondContact NE2-OE1 2.78Å; Q52-E56 VanDerWaalsContact O-CG 3.3Å; Q52-E56 WeakPolarHBondContact O-CG 3.27Å; Q52-E56 PolarHBondContact O-N 3.17Å
53	L	98.9	Very high	98.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.8	-42.9	175.7	-177.2	56.3	0	0	0	112.6	F23 A26 L27 A49 V50 R51 R55 E56 F57 P296	F23-L53 HydrophobicContact CD1-CD2 3.71Å; F23-L53 HydrophobicContact CD1-CG 4.24Å; F23-L53 HydrophobicContact CE1-CB 4.14Å; F23-L53 HydrophobicContact CE1-CD2 3.87Å; F23-L53 HydrophobicContact CE1-CG 3.88Å; F23-L53 HydrophobicContact CG-CD2 4.08Å; F23-L53 HydrophobicContact CZ-CB 4.47Å; F23-L53 HydrophobicContact CZ-CD2 4.35Å; F23-L53 HydrophobicContact CZ-CG 4.01Å; A26-L53 HydrophobicContact CB-CD1 4.35Å; A26-L53 HydrophobicContact CB-CD2 3.89Å; L27-L53 HydrophobicContact CD1-CD2 4.27Å; L27-L53 HydrophobicContact CD2-CD2 4.01Å; L27-L53 HydrophobicContact CG-CD2 3.7Å; A49-L53 PolarHBondContact O-N 2.89Å; A49-L53 VanDerWaalsContact O-N 3.12Å; V50-L53 PolarHBondContact O-N 3.14Å; R51-L53 VanDerWaalsContact C-N 3.31Å; R51-L53 PolarHBondContact O-N 3.4Å; L53-R55 VanDerWaalsContact C-N 3.3Å; L53-R55 PolarHBondContact O-N 3.45Å; L53-E56 PolarHBondContact O-N 2.99Å; L53-F57 HydrophobicContact CD1-CD2 3.96Å; L53-F57 HydrophobicContact CD1-CE2 3.45Å; L53-F57 VanDerWaalsContact CD1-CE2 3.45Å; L53-F57 HydrophobicContact CD1-CZ 3.92Å; L53-F57 HydrophobicContact CD2-CE2 4.13Å; L53-F57 HydrophobicContact CG-CD2 3.99Å; L53-F57 HydrophobicContact CG-CE2 3.59Å; L53-F57 HydrophobicContact CG-CZ 4.49Å; L53-F57 VanDerWaalsContact O-CD2 3.32Å; L53-F57 WeakPolarHBondContact O-CD2 3.31Å; L53-F57 PolarHBondContact O-N 2.84Å; L53-F57 VanDerWaalsContact O-N 3.07Å; L53-P296 HydrophobicContact CD1-CG 4.37Å
54	H	98.9	Very high	98.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-54.9	-47	170.5	-79.9	-65.3	0	0	0	111.4	F23 V50 R51 E56 F57 L58 M65 Q66 V102	F23-H54 AromaticContact CE1-CD2 3.81Å; F23-H54 AromaticContact CE1-CE1 3.59Å; F23-H54 AromaticContact CE1-CG 3.95Å; F23-H54 AromaticContact CE1-ND1 3.86Å; F23-H54 AromaticContact CE1-NE2 3.57Å; F23-H54 AromaticContact CE2-CE1 3.98Å; F23-H54 AromaticContact CE2-ND1 3.96Å; F23-H54 HydrophobicContact CZ-CB 4.32Å; F23-H54 AromaticContact CZ-CD2 3.89Å; F23-H54 AromaticContact CZ-CE1 3.25Å; F23-H54 WeakPolarHBondContact CZ-CE1 3.47Å; F23-H54 AromaticContact CZ-CG 3.56Å; F23-H54 AromaticContact CZ-ND1 3.18Å; F23-H54 WeakPolarHBondContact CZ-ND1 3.45Å; F23-H54 AromaticContact CZ-NE2 3.72Å; V50-H54 PolarHBondContact O-CD2 2.96Å; V50-H54 VanDerWaalsContact O-CD2 3.31Å; V50-H54 PolarHBondContact O-N 3.35Å; R51-H54 PolarHBondContact O-N 3.34Å; H54-E56 VanDerWaalsContact C-N 3.29Å; H54-E56 PolarHBondContact O-N 3.47Å; H54-F57 PolarHBondContact O-N 2.67Å; H54-L58 WeakPolarHBondContact O-CB 3.4Å; H54-L58 PolarHBondContact O-N 3.29Å; H54-M65 HydrophobicContact CB-SD 4.06Å; H54-Q66 PolarHBondContact CE1-O 2.74Å; H54-Q66 VanDerWaalsContact CE1-O 3.28Å; H54-V102 HydrophobicContact CB-CB 3.85Å; H54-V102 HydrophobicContact CB-CG1 3.8Å; H54-V102 HydrophobicContact CB-CG2 3.79Å
55	R	98.9	Very high	98.6	Very high	88 Å²	88	37.9 Å²	37.9	33%	0.332	17%	0.172	S	C	.	.	H	α-helix	trans	-63.1	-36.4	-179.9	-77	178.9	173.9	151.1	-0.1	112.4	R51 Q52 L53 R59 V102 E105	R51-R55 WeakPolarHBondContact O-CG 3.3Å; R51-R55 PolarHBondContact O-N 3.35Å; Q52-R55 PolarHBondContact O-N 2.88Å; L53-R55 VanDerWaalsContact C-N 3.3Å; L53-R55 PolarHBondContact O-N 3.45Å; R55-R59 VanDerWaalsContact O-CB 3.22Å; R55-R59 WeakPolarHBondContact O-CB 3.22Å; R55-R59 PolarHBondContact O-N 2.69Å; R55-V102 HydrophobicContact CB-CG1 4.37Å; R55-V102 HydrophobicContact CG-CB 4.39Å; R55-V102 HydrophobicContact CG-CG1 3.69Å; R55-V102 HydrophobicContact CG-CG2 3.77Å; R55-E105 WeakPolarHBondContact CG-OE2 3.49Å; R55-E105 IonicContact CZ-OE1 2.83Å; R55-E105 VanDerWaalsContact CZ-OE1 3.25Å; R55-E105 IonicContact CZ-OE2 3.29Å; R55-E105 IonicContact NE-OE1 3.06Å; R55-E105 PolarHBondContact NE-OE1 3.46Å; R55-E105 IonicContact NE-OE2 3.46Å; R55-E105 PolarHBondContact NE-OE2 3.43Å; R55-E105 IonicContact NH2-OE1 3.84Å; R55-E105 PolarHBondContact NH2-OE1 2.95Å; R55-E105 IonicContact NH2-OE2 2.79Å
56	E	98.9	Very high	98.7	Very high	50 Å²	50	35.9 Å²	35.9	23%	0.234	16%	0.163	C	C	.	.	H	α-helix	trans	-65	-42.1	175.3	-72.8	165.4	-165.1	0	0	111.8	R30 Q52 L53 H54 R59 A60 P296	R30-E56 IonicContact CZ-OE2 3.43Å; R30-E56 VanDerWaalsContact CZ-OE2 3.24Å; R30-E56 IonicContact NH1-OE1 3.35Å; R30-E56 PolarHBondContact NH1-OE1 2.85Å; R30-E56 IonicContact NH1-OE2 2.8Å; R30-E56 PolarHBondContact NH1-OE2 3.21Å; R30-E56 IonicContact NH2-OE2 3.63Å; R30-E56 PolarHBondContact NH2-OE2 2.81Å; Q52-E56 WeakPolarHBondContact CG-OE1 3.33Å; Q52-E56 PolarHBondContact NE2-OE1 2.78Å; Q52-E56 VanDerWaalsContact O-CG 3.3Å; Q52-E56 WeakPolarHBondContact O-CG 3.27Å; Q52-E56 PolarHBondContact O-N 3.17Å; L53-E56 PolarHBondContact O-N 2.99Å; H54-E56 VanDerWaalsContact C-N 3.29Å; H54-E56 PolarHBondContact O-N 3.47Å; E56-R59 PolarHBondContact O-N 2.98Å; E56-A60 VanDerWaalsContact O-CB 3.31Å; E56-A60 WeakPolarHBondContact O-CB 3.45Å; E56-A60 PolarHBondContact O-N 3.45Å; E56-P296 HydrophobicContact CB-CB 3.97Å; E56-P296 HydrophobicContact CB-CG 3.54Å; E56-P296 HydrophobicContact CG-CG 4.44Å
57	F	98.9	Very high	98.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.6	-41	174.7	-72.2	-53.6	0	0	0	112.9	D20 F23 L53 H54 A60 G61 S62 P296 I299	D20-F57 HydrophobicContact CB-CB 4.04Å; D20-F57 HydrophobicContact CB-CD2 4.17Å; D20-F57 HydrophobicContact CB-CG 4.03Å; F23-F57 HydrophobicContact CD2-CD2 4.2Å; F23-F57 AromaticContact CD2-CE2 3.79Å; F23-F57 HydrophobicContact CD2-CE2 3.79Å; F23-F57 AromaticContact CE2-CD2 3.42Å; F23-F57 HydrophobicContact CE2-CD2 3.42Å; F23-F57 VanDerWaalsContact CE2-CD2 3.42Å; F23-F57 AromaticContact CE2-CE2 3.48Å; F23-F57 HydrophobicContact CE2-CE2 3.48Å; F23-F57 VanDerWaalsContact CE2-CE2 3.48Å; F23-F57 AromaticContact CZ-CD2 3.82Å; F23-F57 HydrophobicContact CZ-CD2 3.82Å; F23-F57 HydrophobicContact CZ-CE2 4.06Å; L53-F57 HydrophobicContact CD1-CD2 3.96Å; L53-F57 HydrophobicContact CD1-CE2 3.45Å; L53-F57 VanDerWaalsContact CD1-CE2 3.45Å; L53-F57 HydrophobicContact CD1-CZ 3.92Å; L53-F57 HydrophobicContact CD2-CE2 4.13Å; L53-F57 HydrophobicContact CG-CD2 3.99Å; L53-F57 HydrophobicContact CG-CE2 3.59Å; L53-F57 HydrophobicContact CG-CZ 4.49Å; L53-F57 VanDerWaalsContact O-CD2 3.32Å; L53-F57 WeakPolarHBondContact O-CD2 3.31Å; L53-F57 PolarHBondContact O-N 2.84Å; L53-F57 VanDerWaalsContact O-N 3.07Å; H54-F57 PolarHBondContact O-N 2.67Å; F57-A60 WeakPolarHBondContact O-CB 3.43Å; F57-A60 PolarHBondContact O-N 3.17Å; F57-A60 VanDerWaalsContact O-N 3.17Å; F57-G61 PolarHBondContact O-N 3.43Å; F57-S62 VanDerWaalsContact O-CB 3.3Å; F57-S62 WeakPolarHBondContact O-CB 3.48Å; F57-S62 PolarHBondContact O-N 2.9Å; F57-P296 HydrophobicContact CD1-CB 4.45Å; F57-P296 HydrophobicContact CD1-CG 4.28Å; F57-P296 HydrophobicContact CE1-CG 4.15Å; F57-I299 HydrophobicContact CD1-CB 4.33Å; F57-I299 HydrophobicContact CD1-CG1 3.68Å; F57-I299 HydrophobicContact CE1-CG1 3.88Å
58	L	98.9	Very high	98.7	Very high	27 Å²	27	28.7 Å²	28.7	14%	0.141	13%	0.13	C	C	.	.	H	α-helix	trans	-58.4	-49.4	173	180	67.9	0	0	0	110.5	H54 A60 G61 M65 V102 E105 A108	H54-L58 WeakPolarHBondContact O-CB 3.4Å; H54-L58 PolarHBondContact O-N 3.29Å; L58-A60 PolarHBondContact O-N 3.07Å; L58-G61 PolarHBondContact O-N 2.79Å; L58-M65 HydrophobicContact CB-CE 4.13Å; L58-M65 HydrophobicContact CB-SD 4.22Å; L58-M65 HydrophobicContact CD1-CE 4.41Å; L58-V102 HydrophobicContact CB-CG1 4.12Å; L58-V102 HydrophobicContact CD2-CG1 3.8Å; L58-V102 VanDerWaalsContact CD2-O 3.31Å; L58-V102 WeakPolarHBondContact CD2-O 3.29Å; L58-E105 HydrophobicContact CD2-CB 4.01Å; L58-A108 HydrophobicContact CD1-CB 3.66Å
59	R	98.9	Very high	98.4	Very high	103 Å²	103	23.2 Å²	23.2	39%	0.389	10%	0.104	S	C	.	.	H	α-helix	trans	-61	-34.9	177	-177.8	171.1	174.7	78.6	5.7	111.4	R55 E56 G61 A315 G316 E318	R55-R59 VanDerWaalsContact O-CB 3.22Å; R55-R59 WeakPolarHBondContact O-CB 3.22Å; R55-R59 PolarHBondContact O-N 2.69Å; E56-R59 PolarHBondContact O-N 2.98Å; R59-G61 PolarHBondContact O-N 2.9Å; R59-A315 HydrophobicContact CG-CB 4.13Å; R59-A315 PolarHBondContact NH2-O 2.94Å; R59-A315 VanDerWaalsContact NH2-O 3.07Å; R59-G316 WeakPolarHBondContact O-CA 3.49Å; R59-G316 PolarHBondContact O-N 3.1Å; R59-E318 IonicContact CZ-OE2 2.82Å; R59-E318 IonicContact NH1-OE2 2.95Å; R59-E318 PolarHBondContact NH1-OE2 2.68Å; R59-E318 IonicContact NH2-OE2 3.5Å; R59-E318 PolarHBondContact NH2-OE2 2.77Å
60	A	98.9	Very high	97.4	Very high	4 Å²	4	24.4 Å²	24.4	3%	0.033	11%	0.107	C	C	.	.	H	α-helix	trans	-68.6	-12.4	175.3	0	0	0	0	0	114	E56 F57 L58 P296 I299 R300 P314	E56-A60 VanDerWaalsContact O-CB 3.31Å; E56-A60 WeakPolarHBondContact O-CB 3.45Å; E56-A60 PolarHBondContact O-N 3.45Å; F57-A60 WeakPolarHBondContact O-CB 3.43Å; F57-A60 PolarHBondContact O-N 3.17Å; F57-A60 VanDerWaalsContact O-N 3.17Å; L58-A60 PolarHBondContact O-N 3.07Å; A60-P296 HydrophobicContact CB-CB 4.39Å; A60-P296 WeakPolarHBondContact CB-O 3.43Å; A60-I299 HydrophobicContact CB-CB 3.95Å; A60-I299 HydrophobicContact CB-CG2 3.95Å; A60-R300 HydrophobicContact CB-CB 4.13Å; A60-R300 VanDerWaalsContact O-CA 3.27Å; A60-R300 WeakPolarHBondContact O-CA 3.38Å; A60-P314 VanDerWaalsContact O-CB 3.27Å; A60-P314 WeakPolarHBondContact O-CB 3.21Å; A60-P314 WeakPolarHBondContact O-CG 3.37Å
61	G	98.6	Very high	96.4	Very high	8 Å²	8	26 Å²	26	8%	0.082	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.7	9.1	176	0	0	0	0	0	115.2	I18 F57 L58 R59 R310 P314	I18-G61 WeakPolarHBondContact CB-O 3.42Å; F57-G61 PolarHBondContact O-N 3.43Å; L58-G61 PolarHBondContact O-N 2.79Å; R59-G61 PolarHBondContact O-N 2.9Å; G61-R310 PolarHBondContact O-NH2 3.07Å; G61-P314 VanDerWaalsContact CA-CB 3.49Å
62	S	98.8	Very high	95.5	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.014	10%	0.102	C	C	.	.			trans	-62.6	135.9	174.2	179.2	0	0	0	0	111	I18 G19 D20 F57 V64 M65	I18-S62 PolarHBondContact O-OG 3.5Å; G19-S62 VanDerWaalsContact C-OG 3.26Å; G19-S62 PolarHBondContact O-OG 3.02Å; D20-S62 PolarHBondContact N-OG 3.3Å; F57-S62 VanDerWaalsContact O-CB 3.3Å; F57-S62 WeakPolarHBondContact O-CB 3.48Å; F57-S62 PolarHBondContact O-N 2.9Å; S62-V64 PolarHBondContact OG-N 2.98Å; S62-V64 VanDerWaalsContact OG-N 3.08Å; S62-V64 PolarHBondContact OG-O 2.87Å; S62-M65 WeakPolarHBondContact OG-CE 3.46Å
63	N	98.8	Very high	94.5	Very high	10 Å²	10	19 Å²	19	5%	0.053	8%	0.084	C	C	.	.	S	Bend	trans	-97.9	-1	172.4	-62.2	119.5	0	0	0	112.2	V17 I18 D107 A108 L109 R310	V17-N63 HydrophobicContact CG1-CB 4.08Å; I18-N63 PolarHBondContact N-OD1 3.11Å; I18-N63 VanDerWaalsContact N-OD1 3.14Å; I18-N63 PolarHBondContact O-N 2.85Å; N63-D107 PolarHBondContact ND2-O 3.4Å; N63-A108 CarbonylContact O-C 3.51Å; N63-A108 VanDerWaalsContact O-CA 3.22Å; N63-A108 WeakPolarHBondContact O-CA 3.4Å; N63-L109 PolarHBondContact O-N 2.98Å; N63-R310 PolarHBondContact OD1-NH2 2.85Å
64	V	98.9	Very high	93.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	122.4	-178.2	-178.5	0	0	0	0	110.1	V17 D20 S62 L109 A111 F147 Y287	V17-V64 HydrophobicContact CG1-CG2 3.77Å; D20-V64 WeakPolarHBondContact CB-O 3.48Å; S62-V64 PolarHBondContact OG-N 2.98Å; S62-V64 VanDerWaalsContact OG-N 3.08Å; S62-V64 PolarHBondContact OG-O 2.87Å; V64-L109 CarbonylContact C-O 3.58Å; V64-L109 WeakPolarHBondContact CA-O 3.39Å; V64-A111 HydrophobicContact CG1-CB 3.64Å; V64-F147 HydrophobicContact CB-CZ 4.48Å; V64-F147 HydrophobicContact CG1-CE1 3.95Å; V64-F147 HydrophobicContact CG1-CZ 3.7Å; V64-F147 HydrophobicContact CG2-CE1 4.06Å; V64-F147 HydrophobicContact CG2-CZ 3.89Å; V64-Y287 WeakPolarHBondContact CG1-OH 3.49Å; V64-Y287 HydrophobicContact CG2-CE2 3.88Å
65	M	98.8	Very high	92.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	96.8	166.4	-57.5	-60.6	98.6	0	0	107.4	H54 L58 S62 A99 V102 A103 A108 L109 V110 A111	H54-M65 HydrophobicContact CB-SD 4.06Å; L58-M65 HydrophobicContact CB-CE 4.13Å; L58-M65 HydrophobicContact CB-SD 4.22Å; L58-M65 HydrophobicContact CD1-CE 4.41Å; S62-M65 WeakPolarHBondContact OG-CE 3.46Å; M65-A99 HydrophobicContact CB-CB 4.16Å; M65-V102 HydrophobicContact SD-CG1 4.14Å; M65-A103 HydrophobicContact CB-CB 4.33Å; M65-A103 HydrophobicContact CG-CB 3.85Å; M65-A108 HydrophobicContact CE-CB 4.31Å; M65-A108 HydrophobicContact CG-CB 4.3Å; M65-L109 PolarHBondContact N-O 3.25Å; M65-V110 WeakPolarHBondContact O-CA 3.3Å; M65-A111 PolarHBondContact O-N 2.86Å; M65-A111 VanDerWaalsContact O-N 3.11Å
66	Q	98.8	Very high	91	Very high	22 Å²	22	18.2 Å²	18.2	10%	0.103	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	132.4	175.5	-173.1	168.1	-83.1	0	0	109.2	D20 H54 F68 A111 E151	D20-Q66 PolarHBondContact OD2-N 2.83Å; H54-Q66 PolarHBondContact CE1-O 2.74Å; H54-Q66 VanDerWaalsContact CE1-O 3.28Å; Q66-F68 PolarHBondContact O-N 3.01Å; Q66-A111 WeakPolarHBondContact CA-O 3.43Å; Q66-E151 PolarHBondContact NE2-OE1 2.99Å; Q66-E151 PolarHBondContact NE2-OE2 3.07Å; Q66-E151 VanDerWaalsContact NE2-OE2 3.07Å
67	T	98.3	Very high	89.9	Confident	3 Å²	3	16 Å²	16	2%	0.018	8%	0.075	C	C	.	.			trans	-61.2	135.3	-180	56.5	0	0	0	0	109.9	T69 C96 A99 V110 A111 G113 V145	T67-T69 PolarHBondContact O-N 3.35Å; T67-T69 PolarHBondContact O-OG1 3.06Å; T67-T69 PolarHBondContact OG1-OG1 3.47Å; T67-C96 HydrophobicContact CG2-CB 4.4Å; T67-A99 HydrophobicContact CG2-CB 4.13Å; T67-V110 HydrophobicContact CG2-CG1 3.67Å; T67-A111 WeakPolarHBondContact CG2-O 3.25Å; T67-A111 PolarHBondContact N-O 3.27Å; T67-A111 PolarHBondContact OG1-O 3.49Å; T67-G113 PolarHBondContact OG1-N 2.87Å; T67-V145 HydrophobicContact CG2-CG1 4.36Å
68	F	97.2	Very high	88.7	Confident	6 Å²	6	22 Å²	22	3%	0.026	10%	0.103	C	C	.	.	S	Bend	trans	-74.8	65.5	177.8	-174.1	-137.6	0	0	0	111.1	F23 V24 L27 V33 P40 A42 A43 V50 Q66 A95	F23-F68 HydrophobicContact CB-CD2 3.96Å; F23-F68 HydrophobicContact CB-CE2 4.22Å; F23-F68 HydrophobicContact CD1-CB 4.34Å; F23-F68 HydrophobicContact CD1-CD2 4.17Å; F23-F68 HydrophobicContact CD1-CG 4.25Å; F23-F68 HydrophobicContact CG-CD2 4.4Å; V24-F68 HydrophobicContact CG1-CE2 3.79Å; L27-F68 HydrophobicContact CD1-CD1 4.07Å; L27-F68 HydrophobicContact CD1-CE1 3.56Å; L27-F68 HydrophobicContact CD1-CE2 4.14Å; L27-F68 HydrophobicContact CD1-CZ 3.61Å; V33-F68 HydrophobicContact CG2-CE1 4.32Å; V33-F68 HydrophobicContact CG2-CZ 3.64Å; P40-F68 VanDerWaalsContact CA-CE1 3.49Å; P40-F68 HydrophobicContact CB-CD1 3.6Å; P40-F68 HydrophobicContact CB-CD2 3.95Å; P40-F68 HydrophobicContact CB-CE1 3.37Å; P40-F68 HydrophobicContact CB-CE2 3.73Å; P40-F68 HydrophobicContact CB-CG 3.88Å; P40-F68 HydrophobicContact CB-CZ 3.42Å; P40-F68 VanDerWaalsContact CB-CZ 3.42Å; P40-F68 WeakPolarHBondContact CB-O 3.47Å; A42-F68 HydrophobicContact CB-CE1 4.32Å; A43-F68 HydrophobicContact CB-CD1 4.38Å; V50-F68 HydrophobicContact CG1-CB 4.23Å; V50-F68 HydrophobicContact CG1-CD1 4.08Å; V50-F68 HydrophobicContact CG2-CD1 3.93Å; V50-F68 HydrophobicContact CG2-CE1 4.2Å; Q66-F68 PolarHBondContact O-N 3.01Å; F68-A95 HydrophobicContact CB-CB 4.25Å; F68-A95 WeakPolarHBondContact O-CB 3.49Å
69	T	90.9	Very high	87.2	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.107	C	C	.	.			trans	-133.2	1.2	-167.4	54.6	0	0	0	0	113.6	T67 Y71 A72 N92 A95 G113 Q136 F140	T67-T69 PolarHBondContact O-N 3.35Å; T67-T69 PolarHBondContact O-OG1 3.06Å; T67-T69 PolarHBondContact OG1-OG1 3.47Å; T69-Y71 VanDerWaalsContact C-N 3.27Å; T69-Y71 PolarHBondContact O-N 3.31Å; T69-Y71 VanDerWaalsContact O-N 3.15Å; T69-A72 WeakPolarHBondContact O-CB 3.34Å; T69-A72 PolarHBondContact O-N 3.25Å; T69-A72 VanDerWaalsContact O-N 3.08Å; T69-N92 WeakPolarHBondContact CB-OD1 3.49Å; T69-N92 HydrophobicContact CG2-CB 4.15Å; T69-N92 WeakPolarHBondContact CG2-OD1 3.36Å; T69-A95 HydrophobicContact CG2-CB 3.53Å; T69-G113 PolarHBondContact OG1-O 2.86Å; T69-Q136 PolarHBondContact O-NE2 3.08Å; T69-F140 HydrophobicContact CG2-CE1 4.17Å
70	F	78.9	Confident	85.5	Confident	39 Å²	39	20.6 Å²	20.6	17%	0.171	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46	-46	-176.6	171.4	-97.2	0	0	0	113.9	K76 S115 E151 Y152	F70-K76 PolarHBondContact O-NZ 3.01Å; F70-S115 WeakPolarHBondContact CD2-OG 3.42Å; F70-S115 VanDerWaalsContact CE2-OG 3.23Å; F70-S115 WeakPolarHBondContact CE2-OG 3.32Å; F70-S115 PolarHBondContact O-OG 2.73Å; F70-E151 HydrophobicContact CD2-CG 4.24Å; F70-E151 WeakPolarHBondContact CD2-OE1 3.37Å; F70-E151 HydrophobicContact CE2-CG 4.43Å; F70-Y152 VanDerWaalsContact CE2-CB 3.42Å; F70-Y152 HydrophobicContact CE2-CD1 4.01Å; F70-Y152 HydrophobicContact CE2-CD2 4.43Å; F70-Y152 AromaticContact CE2-CG 3.73Å; F70-Y152 HydrophobicContact CE2-CG 3.73Å; F70-Y152 AromaticContact CZ-CD1 3.48Å; F70-Y152 HydrophobicContact CZ-CD1 3.48Å; F70-Y152 VanDerWaalsContact CZ-CD1 3.48Å; F70-Y152 HydrophobicContact CZ-CD2 4.1Å; F70-Y152 HydrophobicContact CZ-CE1 4.06Å; F70-Y152 AromaticContact CZ-CG 3.53Å; F70-Y152 HydrophobicContact CZ-CG 3.53Å
71	Y	76.6	Confident	83.7	Confident	35 Å²	35	22.9 Å²	22.9	14%	0.137	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	39.2	-178.6	-155	-96.4	0	0	0	112.4	P37 T39 P40 T69 K76 N79	P37-Y71 WeakPolarHBondContact O-CD1 3.32Å; P37-Y71 WeakPolarHBondContact O-CE1 3.26Å; T39-Y71 HydrophobicContact CG2-CD1 3.51Å; T39-Y71 HydrophobicContact CG2-CE1 3.82Å; P40-Y71 WeakPolarHBondContact CD-O 3.38Å; T69-Y71 VanDerWaalsContact C-N 3.27Å; T69-Y71 PolarHBondContact O-N 3.31Å; T69-Y71 VanDerWaalsContact O-N 3.15Å; Y71-K76 HydrophobicContact CD1-CB 3.7Å; Y71-K76 HydrophobicContact CD1-CG 4.42Å; Y71-K76 HydrophobicContact CD2-CB 4.02Å; Y71-K76 HydrophobicContact CD2-CD 3.46Å; Y71-K76 VanDerWaalsContact CD2-CD 3.46Å; Y71-K76 HydrophobicContact CD2-CG 3.82Å; Y71-K76 HydrophobicContact CE1-CB 3.52Å; Y71-K76 HydrophobicContact CE1-CG 4.21Å; Y71-K76 WeakPolarHBondContact CE1-O 3.47Å; Y71-K76 HydrophobicContact CE2-CB 3.82Å; Y71-K76 HydrophobicContact CE2-CD 3.7Å; Y71-K76 HydrophobicContact CE2-CG 3.53Å; Y71-K76 HydrophobicContact CG-CB 3.94Å; Y71-K76 HydrophobicContact CG-CD 3.89Å; Y71-K76 HydrophobicContact CG-CG 4.23Å; Y71-N79 PolarHBondContact OH-ND2 2.59Å
72	A	80.7	Confident	82.2	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.			trans	-118.5	30	-176.3	0	0	0	0	0	114.4	P40 T69 I91 N92	P40-A72 HydrophobicContact CG-CB 3.67Å; T69-A72 WeakPolarHBondContact O-CB 3.34Å; T69-A72 PolarHBondContact O-N 3.25Å; T69-A72 VanDerWaalsContact O-N 3.08Å; A72-I91 HydrophobicContact CB-CG2 4.2Å; A72-N92 WeakPolarHBondContact CB-OD1 3.29Å; A72-N92 PolarHBondContact O-ND2 3.47Å
73	S	78	Confident	80.7	Confident	3 Å²	3	30.4 Å²	30.4	2%	0.021	17%	0.166	C	C	.	.	S	Bend	trans	-85.5	152.7	164.7	58.2	0	0	0	0	110.8	D75 K76 L77	S73-D75 VanDerWaalsContact C-N 3.25Å; S73-D75 VanDerWaalsContact CB-OD1 3.29Å; S73-D75 WeakPolarHBondContact CB-OD1 3.32Å; S73-D75 PolarHBondContact O-N 3.37Å; S73-D75 PolarHBondContact OG-OD1 3.49Å; S73-K76 WeakPolarHBondContact O-CB 3.32Å; S73-K76 PolarHBondContact O-N 3.02Å; S73-K76 WeakPolarHBondContact OG-CB 3.03Å; S73-K76 WeakPolarHBondContact OG-CD 3.48Å; S73-K76 WeakPolarHBondContact OG-CG 3.46Å; S73-L77 WeakPolarHBondContact O-CG 3.32Å; S73-L77 PolarHBondContact O-N 3.47Å
74	D	76	Confident	79.2	Confident	60 Å²	60	34.5 Å²	34.5	32%	0.321	19%	0.185	S	C	.	.	H	α-helix	trans	-53.3	-43.7	-176.8	-63.2	-21.8	0	0	0	112	K76 L77 E78 K135	D74-K76 VanDerWaalsContact C-N 3.28Å; D74-K76 PolarHBondContact O-N 3.02Å; D74-L77 PolarHBondContact O-N 3.28Å; D74-E78 WeakPolarHBondContact O-CB 3.17Å; D74-E78 VanDerWaalsContact O-CG 3.31Å; D74-E78 WeakPolarHBondContact O-CG 3.37Å; D74-E78 PolarHBondContact O-N 3.02Å; D74-K135 WeakPolarHBondContact OD2-CD 3.26Å; D74-K135 IonicContact OD2-NZ 3.49Å; D74-K135 PolarHBondContact OD2-NZ 3.1Å
75	D	71.1	Confident	78.5	Confident	9 Å²	9	43.4 Å²	43.4	5%	0.048	22%	0.219	C	C	.	.	H	α-helix	trans	-67.6	-26.4	-179.8	68.7	-27.8	0	0	0	113.6	S73 T117 P118 S119 I132 Q376	S73-D75 VanDerWaalsContact C-N 3.25Å; S73-D75 VanDerWaalsContact CB-OD1 3.29Å; S73-D75 WeakPolarHBondContact CB-OD1 3.32Å; S73-D75 PolarHBondContact O-N 3.37Å; S73-D75 PolarHBondContact OG-OD1 3.49Å; D75-T117 WeakPolarHBondContact OD2-CB 3.38Å; D75-P118 WeakPolarHBondContact OD2-CD 3.25Å; D75-S119 PolarHBondContact OD2-N 2.97Å; D75-S119 PolarHBondContact OD2-OG 2.97Å; D75-I132 HydrophobicContact CB-CD1 4.37Å; D75-Q376 PolarHBondContact O-NE2 3.41Å
76	K	76	Confident	77.9	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.009	23%	0.229	C	C	.	.	H	α-helix	trans	-80.3	-42.6	174.6	-73.4	176	-167.9	166.5	0	111.3	F70 Y71 S73 D74 E78 N79 S115 Q116 P118	F70-K76 PolarHBondContact O-NZ 3.01Å; Y71-K76 HydrophobicContact CD1-CB 3.7Å; Y71-K76 HydrophobicContact CD1-CG 4.42Å; Y71-K76 HydrophobicContact CD2-CB 4.02Å; Y71-K76 HydrophobicContact CD2-CD 3.46Å; Y71-K76 VanDerWaalsContact CD2-CD 3.46Å; Y71-K76 HydrophobicContact CD2-CG 3.82Å; Y71-K76 HydrophobicContact CE1-CB 3.52Å; Y71-K76 HydrophobicContact CE1-CG 4.21Å; Y71-K76 WeakPolarHBondContact CE1-O 3.47Å; Y71-K76 HydrophobicContact CE2-CB 3.82Å; Y71-K76 HydrophobicContact CE2-CD 3.7Å; Y71-K76 HydrophobicContact CE2-CG 3.53Å; Y71-K76 HydrophobicContact CG-CB 3.94Å; Y71-K76 HydrophobicContact CG-CD 3.89Å; Y71-K76 HydrophobicContact CG-CG 4.23Å; S73-K76 WeakPolarHBondContact O-CB 3.32Å; S73-K76 PolarHBondContact O-N 3.02Å; S73-K76 WeakPolarHBondContact OG-CB 3.03Å; S73-K76 WeakPolarHBondContact OG-CD 3.48Å; S73-K76 WeakPolarHBondContact OG-CG 3.46Å; D74-K76 VanDerWaalsContact C-N 3.28Å; D74-K76 PolarHBondContact O-N 3.02Å; K76-E78 VanDerWaalsContact C-N 3.25Å; K76-E78 PolarHBondContact O-N 2.7Å; K76-N79 WeakPolarHBondContact O-CB 3.36Å; K76-N79 PolarHBondContact O-N 2.84Å; K76-N79 VanDerWaalsContact O-N 3.11Å; K76-S115 PolarHBondContact NZ-O 3.3Å; K76-S115 PolarHBondContact NZ-OG 3.14Å; K76-Q116 WeakPolarHBondContact CE-O 3.43Å; K76-Q116 PolarHBondContact NZ-O 3.45Å; K76-P118 HydrophobicContact CG-CG 3.98Å
77	L	76.5	Confident	77.4	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-68.2	-26.3	179.3	-66.2	175.1	0	0	0	112.5	T39 S73 D74 N79 N82 Q84 I91	T39-L77 HydrophobicContact CG2-CD2 3.86Å; S73-L77 WeakPolarHBondContact O-CG 3.32Å; S73-L77 PolarHBondContact O-N 3.47Å; D74-L77 PolarHBondContact O-N 3.28Å; L77-N79 PolarHBondContact O-N 3.3Å; L77-N82 PolarHBondContact O-ND2 2.97Å; L77-Q84 HydrophobicContact CB-CG 4.42Å; L77-Q84 VanDerWaalsContact CB-NE2 3.27Å; L77-Q84 PolarHBondContact O-NE2 3.48Å; L77-I91 HydrophobicContact CD1-CD1 4.18Å; L77-I91 HydrophobicContact CD2-CD1 4.14Å
78	E	73.1	Confident	76.9	Confident	127 Å²	127	48 Å²	48	59%	0.593	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-3.7	174.6	-73.7	178.8	-175.4	0	0	113.5	D74 K76	D74-E78 WeakPolarHBondContact O-CB 3.17Å; D74-E78 VanDerWaalsContact O-CG 3.31Å; D74-E78 WeakPolarHBondContact O-CG 3.37Å; D74-E78 PolarHBondContact O-N 3.02Å; K76-E78 VanDerWaalsContact C-N 3.25Å; K76-E78 PolarHBondContact O-N 2.7Å
79	N	66.8	Low	76.6	Confident	41 Å²	41	52.1 Å²	52.1	22%	0.219	26%	0.264	C	S	.	.	S	Bend	trans	-68.9	157.1	-177.5	-163.6	17.4	0	0	0	112.9	Y71 K76 L77 G81 N82	Y71-N79 PolarHBondContact OH-ND2 2.59Å; K76-N79 WeakPolarHBondContact O-CB 3.36Å; K76-N79 PolarHBondContact O-N 2.84Å; K76-N79 VanDerWaalsContact O-N 3.11Å; L77-N79 PolarHBondContact O-N 3.3Å; N79-G81 PolarHBondContact O-N 3.33Å; N79-N82 PolarHBondContact O-N 3.13Å
80	R	64.4	Low	76.8	Confident	60 Å²	60	56.7 Å²	56.7	23%	0.226	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-41	123	-168.5	-59.2	-174.3	-169.3	-117.4	14.7	114	N82 Q377 E379 T381	R80-N82 VanDerWaalsContact C-N 3.34Å; R80-N82 PolarHBondContact O-N 3.33Å; R80-Q377 WeakPolarHBondContact CG-O 3.46Å; R80-E379 WeakPolarHBondContact CD-O 3.48Å; R80-E379 VanDerWaalsContact CG-O 3.29Å; R80-E379 WeakPolarHBondContact CG-O 3.26Å; R80-E379 PolarHBondContact NH1-O 3.46Å; R80-T381 VanDerWaalsContact NH1-CA 3.29Å; R80-T381 PolarHBondContact NH1-OG1 3.17Å
81	G	60.3	Low	77.5	Confident	51 Å²	51	55 Å²	55	53%	0.526	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	8.8	166.9	0	0	0	0	0	115.8	N79	N79-G81 PolarHBondContact O-N 3.33Å
82	N	67.7	Low	78.4	Confident	38 Å²	38	53.6 Å²	53.6	20%	0.203	27%	0.273	C	S	.	.			trans	-83.5	133.2	170.2	-169.7	18.5	0	0	0	111.3	L77 N79 R80	L77-N82 PolarHBondContact O-ND2 2.97Å; N79-N82 PolarHBondContact O-N 3.13Å; R80-N82 VanDerWaalsContact C-N 3.34Å; R80-N82 PolarHBondContact O-N 3.33Å
83	T	66	Low	79.2	Confident	131 Å²	131	56.3 Å²	56.3	80%	0.804	29%	0.285	S	S	*	.			trans	-103.4	99.9	172.7	-56.2	0	0	0	0	108.2	R85	T83-R85 PolarHBondContact O-N 3.29Å
84	Q	69.1	Low	80.1	Confident	96 Å²	96	57.3 Å²	57.3	45%	0.449	29%	0.294	S	S	.	.			trans	-71.2	103	-175.7	-67.9	-175.8	4.9	0	0	111.6	L77	L77-Q84 HydrophobicContact CB-CG 4.42Å; L77-Q84 VanDerWaalsContact CB-NE2 3.27Å; L77-Q84 PolarHBondContact O-NE2 3.48Å
85	R	83	Confident	81.2	Confident	187 Å²	187	54.5 Å²	54.5	71%	0.706	28%	0.279	S	S	*	.	S	Bend	trans	-85	-30.2	167.8	-177.1	175.9	177.5	-176.4	0.6	112.7	T83	T83-R85 PolarHBondContact O-N 3.29Å
86	F	85.6	Confident	82.5	Confident	50 Å²	50	54.2 Å²	54.2	22%	0.219	28%	0.278	C	S	.	.	S	Bend	trans	-123	148.2	-179.3	-61.5	-85.4	0	0	0	109.8	A44 E45 Q90 I91	A44-F86 HydrophobicContact CB-CD1 3.9Å; A44-F86 HydrophobicContact CB-CD2 3.92Å; A44-F86 HydrophobicContact CB-CE1 3.91Å; A44-F86 HydrophobicContact CB-CE2 3.96Å; A44-F86 HydrophobicContact CB-CG 3.89Å; A44-F86 HydrophobicContact CB-CZ 3.94Å; E45-F86 HydrophobicContact CG-CD2 4.2Å; E45-F86 HydrophobicContact CG-CE2 3.51Å; E45-F86 HydrophobicContact CG-CZ 4.42Å; F86-Q90 HydrophobicContact CB-CB 4.28Å; F86-I91 HydrophobicContact CB-CD1 4.12Å; F86-I91 HydrophobicContact CB-CG1 3.74Å
87	T	88.9	Confident	83.6	Confident	70 Å²	70	58.2 Å²	58.2	43%	0.429	30%	0.299	S	S	.	.			trans	-73.1	159.4	172.3	70.1	0	0	0	0	110.6	E89 Q90 I91	T87-E89 PolarHBondContact O-N 3.43Å; T87-Q90 PolarHBondContact O-N 2.91Å; T87-Q90 VanDerWaalsContact O-N 3.15Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.19Å; T87-Q90 PolarHBondContact OG1-N 3.49Å; T87-I91 WeakPolarHBondContact O-CG1 3.38Å; T87-I91 PolarHBondContact O-N 3.49Å
88	G	87.7	Confident	84.7	Confident	2 Å²	2	58.6 Å²	58.6	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-58.1	-38.3	174.6	0	0	0	0	0	112.8	I91 N92	G88-I91 PolarHBondContact O-N 3.48Å; G88-N92 VanDerWaalsContact O-CB 3.26Å; G88-N92 WeakPolarHBondContact O-CB 3.23Å; G88-N92 PolarHBondContact O-N 3.04Å; G88-N92 PolarHBondContact O-ND2 3.43Å
89	E	91.6	Very high	85.9	Confident	92 Å²	92	52.6 Å²	52.6	43%	0.43	27%	0.273	S	S	.	.	H	α-helix	trans	-59.5	-47.6	173.9	-173	173.6	-161.6	0	0	112	T87 I91 N92 E93 V139 R142	T87-E89 PolarHBondContact O-N 3.43Å; E89-I91 PolarHBondContact O-N 2.92Å; E89-N92 PolarHBondContact O-N 3.4Å; E89-E93 HydrophobicContact CG-CG 4.46Å; E89-E93 WeakPolarHBondContact O-CB 3.31Å; E89-E93 VanDerWaalsContact O-CG 3.31Å; E89-E93 WeakPolarHBondContact O-CG 3.35Å; E89-E93 PolarHBondContact O-N 2.84Å; E89-V139 HydrophobicContact CG-CG2 4.04Å; E89-R142 IonicContact OE1-CZ 3.24Å; E89-R142 VanDerWaalsContact OE1-CZ 3.24Å; E89-R142 IonicContact OE1-NH1 2.9Å; E89-R142 PolarHBondContact OE1-NH1 3.37Å; E89-R142 IonicContact OE1-NH2 3.38Å; E89-R142 PolarHBondContact OE1-NH2 2.9Å
90	Q	93.8	Very high	87.4	Confident	95 Å²	95	53 Å²	53	44%	0.444	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-42.6	178.6	-73.2	173.1	-38.1	0	0	112.4	F86 T87 A94	F86-Q90 HydrophobicContact CB-CB 4.28Å; T87-Q90 PolarHBondContact O-N 2.91Å; T87-Q90 VanDerWaalsContact O-N 3.15Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.19Å; T87-Q90 PolarHBondContact OG1-N 3.49Å; Q90-A94 WeakPolarHBondContact O-CB 3.49Å; Q90-A94 PolarHBondContact O-N 3.25Å
91	I	94.4	Very high	89	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-65	-46.7	177.3	-64.5	169.2	0	0	0	110.1	P40 E41 A43 A72 L77 F86 T87 G88 E89 E93 A94 A95	P40-I91 HydrophobicContact CB-CG2 4.35Å; P40-I91 HydrophobicContact CG-CG2 3.82Å; P40-I91 WeakPolarHBondContact O-CG2 3.21Å; E41-I91 HydrophobicContact CB-CD1 4.14Å; A43-I91 HydrophobicContact CB-CG2 4.48Å; A72-I91 HydrophobicContact CB-CG2 4.2Å; L77-I91 HydrophobicContact CD1-CD1 4.18Å; L77-I91 HydrophobicContact CD2-CD1 4.14Å; F86-I91 HydrophobicContact CB-CD1 4.12Å; F86-I91 HydrophobicContact CB-CG1 3.74Å; T87-I91 WeakPolarHBondContact O-CG1 3.38Å; T87-I91 PolarHBondContact O-N 3.49Å; G88-I91 PolarHBondContact O-N 3.48Å; E89-I91 PolarHBondContact O-N 2.92Å; I91-E93 PolarHBondContact O-N 3.01Å; I91-A94 PolarHBondContact O-N 3.2Å; I91-A95 VanDerWaalsContact O-CB 3.32Å; I91-A95 WeakPolarHBondContact O-CB 3.24Å; I91-A95 PolarHBondContact O-N 3.34Å
92	N	95.2	Very high	90.9	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.027	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-43.2	179.3	-73.2	-40.7	0	0	0	112	T69 A72 G88 E89 A95 C96 V139	T69-N92 WeakPolarHBondContact CB-OD1 3.49Å; T69-N92 HydrophobicContact CG2-CB 4.15Å; T69-N92 WeakPolarHBondContact CG2-OD1 3.36Å; A72-N92 WeakPolarHBondContact CB-OD1 3.29Å; A72-N92 PolarHBondContact O-ND2 3.47Å; G88-N92 VanDerWaalsContact O-CB 3.26Å; G88-N92 WeakPolarHBondContact O-CB 3.23Å; G88-N92 PolarHBondContact O-N 3.04Å; G88-N92 PolarHBondContact O-ND2 3.43Å; E89-N92 PolarHBondContact O-N 3.4Å; N92-A95 PolarHBondContact O-N 3.08Å; N92-C96 WeakPolarHBondContact O-CB 3.36Å; N92-C96 PolarHBondContact O-N 3.28Å; N92-C96 PolarHBondContact O-SG 3.39Å; N92-V139 HydrophobicContact CB-CB 4.36Å; N92-V139 HydrophobicContact CB-CG1 3.9Å; N92-V139 HydrophobicContact CB-CG2 4.35Å
93	E	97.6	Very high	92.3	Very high	57 Å²	57	47.7 Å²	47.7	27%	0.266	24%	0.244	S	C	.	.	H	α-helix	trans	-64.1	-46.8	177.7	-75.2	-171.9	157.9	0	0	112.2	E89 I91 A95 C96 D97 V139 R142 K143	E89-E93 HydrophobicContact CG-CG 4.46Å; E89-E93 WeakPolarHBondContact O-CB 3.31Å; E89-E93 VanDerWaalsContact O-CG 3.31Å; E89-E93 WeakPolarHBondContact O-CG 3.35Å; E89-E93 PolarHBondContact O-N 2.84Å; I91-E93 PolarHBondContact O-N 3.01Å; E93-A95 PolarHBondContact O-N 2.62Å; E93-C96 PolarHBondContact O-N 2.86Å; E93-D97 VanDerWaalsContact O-CG 3.31Å; E93-D97 PolarHBondContact O-N 3.05Å; E93-V139 HydrophobicContact CG-CG1 3.66Å; E93-R142 IonicContact OE1-CZ 3.53Å; E93-R142 IonicContact OE1-NE 3.99Å; E93-R142 IonicContact OE1-NH2 3.61Å; E93-R142 PolarHBondContact OE1-NH2 2.99Å; E93-K143 VanDerWaalsContact CB-CE 3.5Å
94	A	97.9	Very high	93.9	Very high	25 Å²	25	45.9 Å²	45.9	21%	0.207	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-44.8	177.2	0	0	0	0	0	111.5	A43 A44 Q90 I91 C96 D97 L98	A43-A94 HydrophobicContact CB-CB 4.37Å; A44-A94 HydrophobicContact CB-CB 4.48Å; Q90-A94 WeakPolarHBondContact O-CB 3.49Å; Q90-A94 PolarHBondContact O-N 3.25Å; I91-A94 PolarHBondContact O-N 3.2Å; A94-C96 VanDerWaalsContact C-N 3.35Å; A94-C96 PolarHBondContact O-N 3.43Å; A94-D97 PolarHBondContact O-N 3.21Å; A94-L98 VanDerWaalsContact O-CG 3.26Å; A94-L98 WeakPolarHBondContact O-CG 3.4Å; A94-L98 PolarHBondContact O-N 3.32Å
95	A	98.3	Very high	95.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-39.8	177.5	0	0	0	0	0	112.5	A43 F68 T69 I91 N92 E93 L98 A99	A43-A95 HydrophobicContact CB-CB 3.86Å; F68-A95 HydrophobicContact CB-CB 4.25Å; F68-A95 WeakPolarHBondContact O-CB 3.49Å; T69-A95 HydrophobicContact CG2-CB 3.53Å; I91-A95 VanDerWaalsContact O-CB 3.32Å; I91-A95 WeakPolarHBondContact O-CB 3.24Å; I91-A95 PolarHBondContact O-N 3.34Å; N92-A95 PolarHBondContact O-N 3.08Å; E93-A95 PolarHBondContact O-N 2.62Å; A95-L98 PolarHBondContact O-N 2.89Å; A95-A99 WeakPolarHBondContact O-CB 3.18Å; A95-A99 PolarHBondContact O-N 3.31Å
96	C	98.7	Very high	95.9	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.02	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-44.8	174.5	-69.6	0	0	0	0	112.1	T67 N92 E93 A94 L98 A99 R100 K143	T67-C96 HydrophobicContact CG2-CB 4.4Å; N92-C96 WeakPolarHBondContact O-CB 3.36Å; N92-C96 PolarHBondContact O-N 3.28Å; N92-C96 PolarHBondContact O-SG 3.39Å; E93-C96 PolarHBondContact O-N 2.86Å; A94-C96 VanDerWaalsContact C-N 3.35Å; A94-C96 PolarHBondContact O-N 3.43Å; C96-L98 VanDerWaalsContact C-N 3.33Å; C96-L98 PolarHBondContact O-N 3Å; C96-A99 PolarHBondContact O-N 3.2Å; C96-R100 WeakPolarHBondContact O-CB 3.37Å; C96-R100 PolarHBondContact O-N 3.36Å; C96-K143 HydrophobicContact CB-CB 3.74Å; C96-K143 HydrophobicContact CB-CD 4.24Å; C96-K143 HydrophobicContact CB-CG 3.68Å
97	D	98.8	Very high	96.4	Very high	86 Å²	86	39.9 Å²	39.9	46%	0.46	22%	0.22	S	C	.	.	H	α-helix	trans	-64.4	-39.2	-179.5	-68.7	-21	0	0	0	111.5	E93 A94 G101 K143	E93-D97 VanDerWaalsContact O-CG 3.31Å; E93-D97 PolarHBondContact O-N 3.05Å; A94-D97 PolarHBondContact O-N 3.21Å; D97-G101 PolarHBondContact O-N 2.92Å; D97-K143 WeakPolarHBondContact OD1-CD 3.48Å; D97-K143 WeakPolarHBondContact OD1-CE 3.25Å; D97-K143 IonicContact OD1-NZ 3.16Å; D97-K143 PolarHBondContact OD1-NZ 3.15Å; D97-K143 IonicContact OD2-NZ 3.61Å; D97-K143 PolarHBondContact OD2-NZ 3.24Å
98	L	98.8	Very high	96.9	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.058	20%	0.199	C	C	.	.	H	α-helix	trans	-65.9	-46.4	175.8	-66.6	171.3	0	0	0	112	A43 P47 V50 R51 A94 A95 C96 G101 V102	A43-L98 HydrophobicContact CB-CD1 4.33Å; A43-L98 WeakPolarHBondContact O-CD1 3.48Å; P47-L98 HydrophobicContact CB-CD1 3.99Å; P47-L98 HydrophobicContact CB-CD2 3.91Å; V50-L98 HydrophobicContact CB-CD1 3.99Å; V50-L98 HydrophobicContact CG1-CD1 3.92Å; R51-L98 HydrophobicContact CB-CD2 4.23Å; R51-L98 VanDerWaalsContact NH2-CD2 3.34Å; A94-L98 VanDerWaalsContact O-CG 3.26Å; A94-L98 WeakPolarHBondContact O-CG 3.4Å; A94-L98 PolarHBondContact O-N 3.32Å; A95-L98 PolarHBondContact O-N 2.89Å; C96-L98 VanDerWaalsContact C-N 3.33Å; C96-L98 PolarHBondContact O-N 3Å; L98-G101 PolarHBondContact O-N 3.33Å; L98-V102 PolarHBondContact O-N 3.3Å
99	A	98.8	Very high	97.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.1	-43.7	177.5	0	0	0	0	0	111.4	M65 T67 A95 C96 V102 A103 V110	M65-A99 HydrophobicContact CB-CB 4.16Å; T67-A99 HydrophobicContact CG2-CB 4.13Å; A95-A99 WeakPolarHBondContact O-CB 3.18Å; A95-A99 PolarHBondContact O-N 3.31Å; C96-A99 PolarHBondContact O-N 3.2Å; A99-V102 PolarHBondContact O-N 3.39Å; A99-A103 VanDerWaalsContact O-CB 3.27Å; A99-A103 WeakPolarHBondContact O-CB 3.44Å; A99-A103 PolarHBondContact O-N 3.12Å; A99-V110 HydrophobicContact CB-CG1 3.98Å; A99-V110 HydrophobicContact CB-CG2 4.44Å
100	R	98.7	Very high	97.8	Very high	51 Å²	51	32.4 Å²	32.4	19%	0.192	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-48.9	175.9	177.4	55.9	63	-160.4	3.9	112.1	C96 V102 A103 D104 V110 N144 D146	C96-R100 WeakPolarHBondContact O-CB 3.37Å; C96-R100 PolarHBondContact O-N 3.36Å; R100-V102 PolarHBondContact O-N 3.44Å; R100-A103 PolarHBondContact O-N 3.28Å; R100-D104 WeakPolarHBondContact CD-OD2 3.33Å; R100-D104 IonicContact NH1-OD1 3.94Å; R100-D104 WeakPolarHBondContact O-CB 3.38Å; R100-D104 PolarHBondContact O-N 3.37Å; R100-V110 HydrophobicContact CB-CG2 4.12Å; R100-V110 VanDerWaalsContact CZ-CG2 3.41Å; R100-N144 PolarHBondContact NH2-O 3.08Å; R100-D146 IonicContact CZ-OD1 3.04Å; R100-D146 IonicContact CZ-OD2 3.13Å; R100-D146 IonicContact NH1-OD1 3.39Å; R100-D146 IonicContact NH1-OD2 3.86Å; R100-D146 PolarHBondContact NH1-OD2 3.27Å; R100-D146 IonicContact NH2-OD1 3.81Å; R100-D146 PolarHBondContact NH2-OD1 3.32Å; R100-D146 VanDerWaalsContact NH2-OD1 3.14Å; R100-D146 IonicContact NH2-OD2 2.55Å; R100-D146 PolarHBondContact NH2-OD2 2.92Å
101	G	98.6	Very high	98	Very high	36 Å²	36	27.9 Å²	27.9	37%	0.371	16%	0.159	S	C	.	.	H	α-helix	trans	-53.7	-43.1	179.4	0	0	0	0	0	112	D97 L98 E105	D97-G101 PolarHBondContact O-N 2.92Å; L98-G101 PolarHBondContact O-N 3.33Å; G101-E105 WeakPolarHBondContact O-CG 3.44Å
102	V	98.8	Very high	98.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-78.4	-40.5	178.2	179.8	0	0	0	0	112.7	R51 H54 R55 L58 M65 L98 A99 R100 D104 E105	R51-V102 HydrophobicContact CG-CG2 3.57Å; H54-V102 HydrophobicContact CB-CB 3.85Å; H54-V102 HydrophobicContact CB-CG1 3.8Å; H54-V102 HydrophobicContact CB-CG2 3.79Å; R55-V102 HydrophobicContact CB-CG1 4.37Å; R55-V102 HydrophobicContact CG-CB 4.39Å; R55-V102 HydrophobicContact CG-CG1 3.69Å; R55-V102 HydrophobicContact CG-CG2 3.77Å; L58-V102 HydrophobicContact CB-CG1 4.12Å; L58-V102 HydrophobicContact CD2-CG1 3.8Å; L58-V102 VanDerWaalsContact CD2-O 3.31Å; L58-V102 WeakPolarHBondContact CD2-O 3.29Å; M65-V102 HydrophobicContact SD-CG1 4.14Å; L98-V102 PolarHBondContact O-N 3.3Å; A99-V102 PolarHBondContact O-N 3.39Å; R100-V102 PolarHBondContact O-N 3.44Å; V102-D104 PolarHBondContact O-N 3.33Å; V102-D104 VanDerWaalsContact O-N 3.17Å; V102-E105 VanDerWaalsContact O-CB 3.3Å; V102-E105 WeakPolarHBondContact O-CB 3.47Å; V102-E105 PolarHBondContact O-N 2.9Å
103	A	98.6	Very high	98.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.4	-33.4	177.1	0	0	0	0	0	111.8	K4 M65 A99 R100 E105 G106 A108 V110	K4-A103 PolarHBondContact NZ-O 2.86Å; M65-A103 HydrophobicContact CB-CB 4.33Å; M65-A103 HydrophobicContact CG-CB 3.85Å; A99-A103 VanDerWaalsContact O-CB 3.27Å; A99-A103 WeakPolarHBondContact O-CB 3.44Å; A99-A103 PolarHBondContact O-N 3.12Å; R100-A103 PolarHBondContact O-N 3.28Å; A103-E105 VanDerWaalsContact C-N 3.29Å; A103-E105 PolarHBondContact O-N 2.88Å; A103-G106 PolarHBondContact O-N 3.49Å; A103-A108 HydrophobicContact CB-CB 4.25Å; A103-V110 HydrophobicContact CB-CG2 3.6Å
104	D	98.3	Very high	98.2	Very high	94 Å²	94	24.8 Å²	24.8	50%	0.503	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-15.2	177.4	-68.4	-15.2	0	0	0	114.1	K4 R100 V102 G106	K4-D104 IonicContact NZ-OD1 2.79Å; R100-D104 WeakPolarHBondContact CD-OD2 3.33Å; R100-D104 IonicContact NH1-OD1 3.94Å; R100-D104 WeakPolarHBondContact O-CB 3.38Å; R100-D104 PolarHBondContact O-N 3.37Å; V102-D104 PolarHBondContact O-N 3.33Å; V102-D104 VanDerWaalsContact O-N 3.17Å; D104-G106 VanDerWaalsContact C-N 3.27Å; D104-G106 PolarHBondContact O-N 2.7Å
105	E	98.3	Very high	98.1	Very high	100 Å²	100	23.6 Å²	23.6	47%	0.467	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-14	172.7	-63.1	169.6	-163.6	0	0	112.9	R55 L58 G101 V102 A103	R55-E105 WeakPolarHBondContact CG-OE2 3.49Å; R55-E105 IonicContact CZ-OE1 2.83Å; R55-E105 VanDerWaalsContact CZ-OE1 3.25Å; R55-E105 IonicContact CZ-OE2 3.29Å; R55-E105 IonicContact NE-OE1 3.06Å; R55-E105 PolarHBondContact NE-OE1 3.46Å; R55-E105 IonicContact NE-OE2 3.46Å; R55-E105 PolarHBondContact NE-OE2 3.43Å; R55-E105 IonicContact NH2-OE1 3.84Å; R55-E105 PolarHBondContact NH2-OE1 2.95Å; R55-E105 IonicContact NH2-OE2 2.79Å; L58-E105 HydrophobicContact CD2-CB 4.01Å; G101-E105 WeakPolarHBondContact O-CG 3.44Å; V102-E105 VanDerWaalsContact O-CB 3.3Å; V102-E105 WeakPolarHBondContact O-CB 3.47Å; V102-E105 PolarHBondContact O-N 2.9Å; A103-E105 VanDerWaalsContact C-N 3.29Å; A103-E105 PolarHBondContact O-N 2.88Å
106	G	96.8	Very high	97.9	Very high	27 Å²	27	24.4 Å²	24.4	28%	0.278	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-153.4	-162.7	-177.2	0	0	0	0	0	115	K4 A103 D104 A108	K4-G106 WeakPolarHBondContact CE-O 3.32Å; K4-G106 PolarHBondContact NZ-O 3.27Å; A103-G106 PolarHBondContact O-N 3.49Å; D104-G106 VanDerWaalsContact C-N 3.27Å; D104-G106 PolarHBondContact O-N 2.7Å; G106-A108 VanDerWaalsContact C-N 3.28Å; G106-A108 PolarHBondContact O-N 3.22Å; G106-A108 VanDerWaalsContact O-N 3.14Å
107	D	96.7	Very high	97.4	Very high	79 Å²	79	24.3 Å²	24.3	42%	0.422	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	64.2	178.7	-169.9	44.7	0	0	0	111.7	R10 N63	R10-D107 IonicContact CZ-OD1 2.96Å; R10-D107 IonicContact CZ-OD2 3.56Å; R10-D107 IonicContact NH1-OD1 2.85Å; R10-D107 IonicContact NH1-OD2 2.78Å; R10-D107 PolarHBondContact NH1-OD2 2.89Å; R10-D107 VanDerWaalsContact NH2-CG 3.29Å; R10-D107 IonicContact NH2-OD1 3.32Å; R10-D107 PolarHBondContact NH2-OD1 3.34Å; R10-D107 IonicContact NH2-OD2 2.7Å; R10-D107 PolarHBondContact NH2-OD2 2.73Å; N63-D107 PolarHBondContact ND2-O 3.4Å
108	A	98.4	Very high	96.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.121	C	C	.	.			trans	-133.4	157.4	179.2	0	0	0	0	0	112.9	K4 L58 N63 M65 A103 G106	K4-A108 PolarHBondContact NZ-O 2.7Å; L58-A108 HydrophobicContact CD1-CB 3.66Å; N63-A108 CarbonylContact O-C 3.51Å; N63-A108 VanDerWaalsContact O-CA 3.22Å; N63-A108 WeakPolarHBondContact O-CA 3.4Å; M65-A108 HydrophobicContact CE-CB 4.31Å; M65-A108 HydrophobicContact CG-CB 4.3Å; A103-A108 HydrophobicContact CB-CB 4.25Å; G106-A108 VanDerWaalsContact C-N 3.28Å; G106-A108 PolarHBondContact O-N 3.22Å; G106-A108 VanDerWaalsContact O-N 3.14Å
109	L	98.8	Very high	95.9	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.026	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	157.6	174.1	-60.5	178.1	0	0	0	109.8	I7 N63 V64 M65 D146 F147	I7-L109 HydrophobicContact CB-CD1 3.86Å; I7-L109 HydrophobicContact CD1-CD1 4.44Å; N63-L109 PolarHBondContact O-N 2.98Å; V64-L109 CarbonylContact C-O 3.58Å; V64-L109 WeakPolarHBondContact CA-O 3.39Å; M65-L109 PolarHBondContact N-O 3.25Å; L109-D146 WeakPolarHBondContact CA-OD2 3.29Å; L109-D146 HydrophobicContact CB-CB 3.96Å; L109-D146 HydrophobicContact CD2-CB 4.03Å; L109-D146 HydrophobicContact CG-CB 4.42Å; L109-F147 HydrophobicContact CB-CD1 4.44Å; L109-F147 HydrophobicContact CB-CE1 4.18Å
110	V	98.8	Very high	95.3	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.7	171.8	-178.8	0	0	0	0	109.7	M65 T67 A99 R100 A103 V145 D146 F147	M65-V110 WeakPolarHBondContact O-CA 3.3Å; T67-V110 HydrophobicContact CG2-CG1 3.67Å; A99-V110 HydrophobicContact CB-CG1 3.98Å; A99-V110 HydrophobicContact CB-CG2 4.44Å; R100-V110 HydrophobicContact CB-CG2 4.12Å; R100-V110 VanDerWaalsContact CZ-CG2 3.41Å; A103-V110 HydrophobicContact CB-CG2 3.6Å; V110-V145 HydrophobicContact CG1-CB 4.2Å; V110-V145 HydrophobicContact CG1-CG1 3.89Å; V110-D146 PolarHBondContact N-OD2 2.58Å; V110-D146 WeakPolarHBondContact O-CB 3.5Å; V110-D146 PolarHBondContact O-N 3.16Å; V110-F147 PolarHBondContact O-N 3.04Å
111	A	98.8	Very high	94.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.4	176.9	0	0	0	0	0	111.4	V64 M65 Q66 T67 F147 I149	V64-A111 HydrophobicContact CG1-CB 3.64Å; M65-A111 PolarHBondContact O-N 2.86Å; M65-A111 VanDerWaalsContact O-N 3.11Å; Q66-A111 WeakPolarHBondContact CA-O 3.43Å; T67-A111 WeakPolarHBondContact CG2-O 3.25Å; T67-A111 PolarHBondContact N-O 3.27Å; T67-A111 PolarHBondContact OG1-O 3.49Å; A111-F147 WeakPolarHBondContact CA-O 3.4Å; A111-F147 HydrophobicContact CB-CD1 4.08Å; A111-F147 HydrophobicContact CB-CD2 4.3Å; A111-F147 HydrophobicContact CB-CE1 3.56Å; A111-F147 HydrophobicContact CB-CE2 3.82Å; A111-F147 HydrophobicContact CB-CG 4.43Å; A111-F147 HydrophobicContact CB-CZ 3.41Å; A111-F147 VanDerWaalsContact CB-CZ 3.41Å; A111-I149 HydrophobicContact CB-CD1 3.48Å; A111-I149 VanDerWaalsContact CB-CD1 3.48Å; A111-I149 HydrophobicContact CB-CG1 3.96Å
112	G	98.2	Very high	93.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	116.1	172.6	0	0	0	0	0	111.2	F147 L148 I149	G112-F147 PolarHBondContact N-O 3.03Å; G112-L148 CarbonylContact O-C 3.51Å; G112-L148 WeakPolarHBondContact O-CA 3.47Å; G112-I149 PolarHBondContact O-N 3.33Å
113	G	96.9	Very high	92.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	134.6	-177.2	0	0	0	0	0	113.9	T67 T69 F140 I149	T67-G113 PolarHBondContact OG1-N 2.87Å; T69-G113 PolarHBondContact OG1-O 2.86Å; G113-F140 WeakPolarHBondContact O-CZ 3.14Å; G113-I149 CarbonylContact C-O 3.55Å; G113-I149 WeakPolarHBondContact CA-O 3.27Å
114	V	96.4	Very high	92.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	156.6	163	-57.7	0	0	0	0	110.1	F133 Q136 F140 I149 A150 E151 A162 L166	V114-F133 HydrophobicContact CB-CD1 4.07Å; V114-F133 HydrophobicContact CG1-CD1 4.5Å; V114-F133 HydrophobicContact CG2-CD1 4.11Å; V114-F133 HydrophobicContact CG2-CE1 4.47Å; V114-Q136 HydrophobicContact CG1-CB 4.07Å; V114-F140 HydrophobicContact CG1-CE2 3.87Å; V114-I149 PolarHBondContact N-O 2.93Å; V114-A150 HydrophobicContact CG2-CB 4.26Å; V114-E151 PolarHBondContact O-N 2.96Å; V114-A162 HydrophobicContact CG2-CB 4.3Å; V114-L166 HydrophobicContact CG1-CD1 4.4Å; V114-L166 HydrophobicContact CG2-CD1 3.6Å; V114-L166 HydrophobicContact CG2-CD2 4.18Å
115	S	95.8	Very high	92	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.007	14%	0.142	C	C	.	.			trans	-142.7	167.9	178.5	58.8	0	0	0	0	113	F70 K76 E151	F70-S115 WeakPolarHBondContact CD2-OG 3.42Å; F70-S115 VanDerWaalsContact CE2-OG 3.23Å; F70-S115 WeakPolarHBondContact CE2-OG 3.32Å; F70-S115 PolarHBondContact O-OG 2.73Å; K76-S115 PolarHBondContact NZ-O 3.3Å; K76-S115 PolarHBondContact NZ-OG 3.14Å; S115-E151 WeakPolarHBondContact CA-O 3.33Å; S115-E151 WeakPolarHBondContact CB-O 3.28Å
116	Q	93.4	Very high	91.8	Very high	17 Å²	17	23.4 Å²	23.4	8%	0.079	14%	0.136	C	C	.	.			trans	-46.1	142.4	-178.5	74.7	-176.6	36	0	0	112.8	K76 Y152 F153 E154 E158	K76-Q116 WeakPolarHBondContact CE-O 3.43Å; K76-Q116 PolarHBondContact NZ-O 3.45Å; Q116-Y152 VanDerWaalsContact CB-O 3.3Å; Q116-Y152 WeakPolarHBondContact CB-O 3.26Å; Q116-Y152 HydrophobicContact CG-CD1 3.9Å; Q116-Y152 HydrophobicContact CG-CE1 4.18Å; Q116-Y152 VanDerWaalsContact CG-O 3.28Å; Q116-Y152 WeakPolarHBondContact CG-O 3.39Å; Q116-Y152 PolarHBondContact N-O 3.09Å; Q116-Y152 VanDerWaalsContact N-O 3.16Å; Q116-Y152 PolarHBondContact OE1-O 2.91Å; Q116-F153 HydrophobicContact CB-CD1 3.74Å; Q116-F153 HydrophobicContact CB-CE1 4.07Å; Q116-F153 HydrophobicContact CB-CG 4.3Å; Q116-E154 PolarHBondContact NE2-OE2 3.09Å; Q116-E154 PolarHBondContact OE1-OE2 3.13Å; Q116-E158 VanDerWaalsContact CB-OE2 3.28Å; Q116-E158 WeakPolarHBondContact CB-OE2 3.43Å
117	T	88.4	Confident	91.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.			trans	-101.7	138.2	-173.8	63.8	0	0	0	0	110.1	D75 S119 Y120 I132 F133 E158	D75-T117 WeakPolarHBondContact OD2-CB 3.38Å; T117-S119 PolarHBondContact O-N 2.78Å; T117-S119 VanDerWaalsContact O-N 3.14Å; T117-Y120 PolarHBondContact O-N 3.34Å; T117-Y120 VanDerWaalsContact O-N 3.11Å; T117-Y120 PolarHBondContact OG1-N 2.95Å; T117-I132 HydrophobicContact CG2-CB 4.34Å; T117-I132 HydrophobicContact CG2-CD1 4.44Å; T117-I132 HydrophobicContact CG2-CG2 3.85Å; T117-F133 HydrophobicContact CG2-CD1 4.3Å; T117-F133 HydrophobicContact CG2-CE1 3.54Å; T117-F133 HydrophobicContact CG2-CZ 3.81Å; T117-E158 WeakPolarHBondContact CB-OE1 3.3Å; T117-E158 PolarHBondContact N-OE1 2.7Å; T117-E158 PolarHBondContact OG1-OE1 3.34Å
118	P	84.7	Confident	91.6	Very high	17 Å²	17	28.9 Å²	28.9	11%	0.11	16%	0.155	C	C	.	.	H	α-helix	trans	-56	-25.2	165.8	-27.5	35.5	0	0	0	113.6	D75 K76 L121 S122 Q376	D75-P118 WeakPolarHBondContact OD2-CD 3.25Å; K76-P118 HydrophobicContact CG-CG 3.98Å; P118-L121 PolarHBondContact O-N 3.27Å; P118-S122 WeakPolarHBondContact O-CB 3.3Å; P118-S122 PolarHBondContact O-N 2.81Å; P118-S122 PolarHBondContact O-OG 3.13Å; P118-Q376 HydrophobicContact CB-CG 3.46Å; P118-Q376 VanDerWaalsContact CB-CG 3.46Å; P118-Q376 HydrophobicContact CG-CG 4.45Å
119	S	82.5	Confident	91.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.9	-40.8	173.5	-68.7	0	0	0	0	113.4	D75 T117 S122 C123 K124 I132	D75-S119 PolarHBondContact OD2-N 2.97Å; D75-S119 PolarHBondContact OD2-OG 2.97Å; T117-S119 PolarHBondContact O-N 2.78Å; T117-S119 VanDerWaalsContact O-N 3.14Å; S119-S122 CarbonylContact O-C 3.54Å; S119-S122 PolarHBondContact O-N 2.87Å; S119-C123 PolarHBondContact O-N 3.37Å; S119-K124 WeakPolarHBondContact O-CB 3.39Å; S119-K124 WeakPolarHBondContact O-CG 3.18Å; S119-K124 PolarHBondContact O-N 3.29Å; S119-K124 PolarHBondContact OG-NZ 3.05Å; S119-K124 VanDerWaalsContact OG-NZ 3.09Å; S119-I132 VanDerWaalsContact CB-CD1 3.5Å; S119-I132 WeakPolarHBondContact OG-CD1 3.37Å
120	Y	85	Confident	91.2	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-65.6	-43	174.4	174	-94.2	0	0	0	112.3	T117 S122 C123 H155 E157 E158 W161 K369	T117-Y120 PolarHBondContact O-N 3.34Å; T117-Y120 VanDerWaalsContact O-N 3.11Å; T117-Y120 PolarHBondContact OG1-N 2.95Å; Y120-S122 PolarHBondContact O-N 3.36Å; Y120-C123 PolarHBondContact O-N 2.97Å; Y120-H155 HydrophobicContact CE1-CB 3.74Å; Y120-H155 AromaticContact CE1-CD2 3.95Å; Y120-H155 AromaticContact CE1-CE1 3.96Å; Y120-H155 AromaticContact CE1-CG 3.48Å; Y120-H155 VanDerWaalsContact CE1-CG 3.48Å; Y120-H155 AromaticContact CE1-ND1 3.5Å; Y120-H155 WeakPolarHBondContact CE1-ND1 3.37Å; Y120-H155 AromaticContact CZ-CG 3.92Å; Y120-H155 WeakPolarHBondContact OH-CB 3.38Å; Y120-E157 HydrophobicContact CE2-CB 4.49Å; Y120-E157 HydrophobicContact CE2-CG 4.2Å; Y120-E157 WeakPolarHBondContact CE2-OE2 3.39Å; Y120-E157 PolarHBondContact OH-OE2 3.04Å; Y120-E158 VanDerWaalsContact CB-OE1 3.27Å; Y120-E158 WeakPolarHBondContact CB-OE1 3.35Å; Y120-E158 WeakPolarHBondContact CB-OE2 3.31Å; Y120-E158 HydrophobicContact CD1-CB 4.21Å; Y120-E158 HydrophobicContact CD1-CG 4.4Å; Y120-E158 WeakPolarHBondContact CD1-OE2 3.27Å; Y120-E158 HydrophobicContact CD2-CB 3.68Å; Y120-E158 HydrophobicContact CD2-CG 3.74Å; Y120-E158 HydrophobicContact CE1-CB 4.34Å; Y120-E158 HydrophobicContact CE2-CB 3.79Å; Y120-E158 HydrophobicContact CE2-CG 4.36Å; Y120-E158 HydrophobicContact CG-CB 3.89Å; Y120-E158 VanDerWaalsContact CG-CD 3.46Å; Y120-E158 HydrophobicContact CG-CG 3.75Å; Y120-W161 HydrophobicContact CD2-CE3 4.31Å; Y120-W161 HydrophobicContact CD2-CH2 4.13Å; Y120-W161 AromaticContact CD2-CZ3 3.62Å; Y120-W161 HydrophobicContact CD2-CZ3 3.62Å; Y120-W161 HydrophobicContact CE2-CH2 4.1Å; Y120-W161 AromaticContact CE2-CZ3 4Å; Y120-W161 HydrophobicContact CE2-CZ3 4Å; Y120-K369 HydrophobicContact CD1-CD 4.38Å; Y120-K369 HydrophobicContact CE1-CD 3.71Å; Y120-K369 HydrophobicContact CE1-CG 4.35Å; Y120-K369 HydrophobicContact CE2-CD 4.35Å; Y120-K369 WeakPolarHBondContact O-CE 3.39Å; Y120-K369 PolarHBondContact OH-NZ 2.93Å
121	L	82.6	Confident	91.1	Very high	27 Å²	27	33.1 Å²	33.1	14%	0.141	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-31	176	-65.5	178.6	0	0	0	112.6	P118 C123 G370	P118-L121 PolarHBondContact O-N 3.27Å; L121-C123 PolarHBondContact O-N 3.46Å; L121-G370 PolarHBondContact O-N 2.8Å
122	S	80.6	Confident	90.8	Very high	24 Å²	24	34.1 Å²	34.1	17%	0.168	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	11.2	176.1	-55	0	0	0	0	113.5	P118 S119 Y120 K124	P118-S122 WeakPolarHBondContact O-CB 3.3Å; P118-S122 PolarHBondContact O-N 2.81Å; P118-S122 PolarHBondContact O-OG 3.13Å; S119-S122 CarbonylContact O-C 3.54Å; S119-S122 PolarHBondContact O-N 2.87Å; Y120-S122 PolarHBondContact O-N 3.36Å; S122-K124 VanDerWaalsContact C-N 3.28Å; S122-K124 PolarHBondContact O-N 3.08Å
123	C	83.6	Confident	90.6	Very high	76 Å²	76	34.1 Å²	34.1	51%	0.514	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	34.6	179.1	-60.1	0	0	0	0	114.5	S119 Y120 L121	S119-C123 PolarHBondContact O-N 3.37Å; Y120-C123 PolarHBondContact O-N 2.97Å; L121-C123 PolarHBondContact O-N 3.46Å
124	K	85	Confident	90.5	Very high	94 Å²	94	38.1 Å²	38.1	41%	0.409	20%	0.204	S	C	.	.			trans	-66.7	163.4	167.5	-62.7	-163.9	-169	158.9	0	110.8	S119 S122 D128	S119-K124 WeakPolarHBondContact O-CB 3.39Å; S119-K124 WeakPolarHBondContact O-CG 3.18Å; S119-K124 PolarHBondContact O-N 3.29Å; S119-K124 PolarHBondContact OG-NZ 3.05Å; S119-K124 VanDerWaalsContact OG-NZ 3.09Å; S122-K124 VanDerWaalsContact C-N 3.28Å; S122-K124 PolarHBondContact O-N 3.08Å; K124-D128 HydrophobicContact CB-CB 4.08Å; K124-D128 HydrophobicContact CD-CB 4.45Å
125	S	91.9	Very high	90.4	Very high	48 Å²	48	43.7 Å²	43.7	34%	0.336	23%	0.229	S	C	.	.			trans	-68	160.8	-178.3	81.3	0	0	0	0	112	E127 D128 V129	S125-E127 VanDerWaalsContact CB-OE2 3.25Å; S125-E127 WeakPolarHBondContact CB-OE2 3.31Å; S125-E127 PolarHBondContact O-N 2.78Å; S125-E127 PolarHBondContact OG-N 3.08Å; S125-E127 PolarHBondContact OG-OE2 2.85Å; S125-D128 PolarHBondContact O-N 3.2Å; S125-D128 PolarHBondContact OG-N 3.39Å; S125-V129 PolarHBondContact O-N 2.82Å; S125-V129 VanDerWaalsContact O-N 3.09Å
126	E	94.6	Very high	90.3	Very high	73 Å²	73	43.8 Å²	43.8	34%	0.341	23%	0.229	S	C	.	.	H	α-helix	trans	-55.6	-40.8	173	175.5	174.8	158.3	0	0	111.3	D128 V129 K130 W161	E126-D128 PolarHBondContact O-N 3.18Å; E126-V129 PolarHBondContact O-N 3.37Å; E126-K130 HydrophobicContact CG-CD 3.93Å; E126-K130 HydrophobicContact CG-CG 4.33Å; E126-K130 VanDerWaalsContact O-CB 3.31Å; E126-K130 WeakPolarHBondContact O-CB 3.44Å; E126-K130 VanDerWaalsContact O-CG 3.29Å; E126-K130 WeakPolarHBondContact O-CG 3.46Å; E126-K130 PolarHBondContact O-N 2.94Å; E126-K130 VanDerWaalsContact OE1-CE 3.23Å; E126-K130 WeakPolarHBondContact OE1-CE 3.26Å; E126-K130 IonicContact OE1-NZ 3.52Å; E126-K130 PolarHBondContact OE1-NZ 3.39Å; E126-W161 HydrophobicContact CB-CD2 4.29Å; E126-W161 HydrophobicContact CB-CE3 4.38Å; E126-W161 HydrophobicContact CB-CH2 3.9Å; E126-W161 HydrophobicContact CB-CZ2 3.79Å; E126-W161 HydrophobicContact CB-CZ3 4.17Å; E126-W161 VanDerWaalsContact CD-NE1 3.29Å; E126-W161 HydrophobicContact CG-CD2 3.72Å; E126-W161 HydrophobicContact CG-CE3 4.18Å; E126-W161 HydrophobicContact CG-CG 4.04Å; E126-W161 HydrophobicContact CG-CH2 4.37Å; E126-W161 HydrophobicContact CG-CZ2 3.94Å; E126-W161 HydrophobicContact CG-CZ3 4.46Å; E126-W161 PolarHBondContact OE2-NE1 2.85Å
127	E	95.8	Very high	90.3	Very high	133 Å²	133	43 Å²	43	62%	0.621	23%	0.225	S	C	*	.	H	α-helix	trans	-61.7	-43.9	178.3	-61.5	78.1	-168.4	0	0	112	S125 K130 A131	S125-E127 VanDerWaalsContact CB-OE2 3.25Å; S125-E127 WeakPolarHBondContact CB-OE2 3.31Å; S125-E127 PolarHBondContact O-N 2.78Å; S125-E127 PolarHBondContact OG-N 3.08Å; S125-E127 PolarHBondContact OG-OE2 2.85Å; E127-K130 PolarHBondContact O-N 3.26Å; E127-A131 WeakPolarHBondContact O-CB 3.49Å; E127-A131 PolarHBondContact O-N 3.49Å
128	D	93.4	Very high	90.7	Very high	88 Å²	88	46.1 Å²	46.1	47%	0.471	24%	0.242	S	C	.	.	H	α-helix	trans	-64.8	-44.7	179.2	-74.7	-20.2	0	0	0	111.3	K124 S125 E126 A131 I132	K124-D128 HydrophobicContact CB-CB 4.08Å; K124-D128 HydrophobicContact CD-CB 4.45Å; S125-D128 PolarHBondContact O-N 3.2Å; S125-D128 PolarHBondContact OG-N 3.39Å; E126-D128 PolarHBondContact O-N 3.18Å; D128-A131 WeakPolarHBondContact O-CB 3.34Å; D128-A131 PolarHBondContact O-N 2.86Å; D128-I132 WeakPolarHBondContact O-CG1 3.46Å; D128-I132 PolarHBondContact O-N 3.45Å
129	V	93.6	Very high	91.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-44.8	177.8	173.6	0	0	0	0	110.8	S125 E126 A131 I132 F133 E158 W161	S125-V129 PolarHBondContact O-N 2.82Å; S125-V129 VanDerWaalsContact O-N 3.09Å; E126-V129 PolarHBondContact O-N 3.37Å; V129-A131 VanDerWaalsContact C-N 3.29Å; V129-A131 PolarHBondContact O-N 3.42Å; V129-I132 WeakPolarHBondContact O-CB 3.32Å; V129-I132 PolarHBondContact O-N 3.32Å; V129-I132 VanDerWaalsContact O-N 3.12Å; V129-F133 HydrophobicContact CG1-CD2 4.29Å; V129-F133 HydrophobicContact CG1-CE2 3.54Å; V129-F133 HydrophobicContact CG1-CZ 3.89Å; V129-F133 PolarHBondContact O-N 3.39Å; V129-E158 HydrophobicContact CG1-CG 4Å; V129-W161 HydrophobicContact CB-CE3 4.08Å; V129-W161 HydrophobicContact CB-CZ3 4.16Å; V129-W161 HydrophobicContact CG1-CE3 3.9Å; V129-W161 HydrophobicContact CG1-CZ3 4.31Å; V129-W161 HydrophobicContact CG2-CZ3 4.24Å
130	K	96.1	Very high	92	Very high	44 Å²	44	45.5 Å²	45.5	19%	0.191	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-35.4	176	-76.4	-176.8	169.8	175.7	0	112.6	E126 E127 I132 F133 K134 W161 V165	E126-K130 HydrophobicContact CG-CD 3.93Å; E126-K130 HydrophobicContact CG-CG 4.33Å; E126-K130 VanDerWaalsContact O-CB 3.31Å; E126-K130 WeakPolarHBondContact O-CB 3.44Å; E126-K130 VanDerWaalsContact O-CG 3.29Å; E126-K130 WeakPolarHBondContact O-CG 3.46Å; E126-K130 PolarHBondContact O-N 2.94Å; E126-K130 VanDerWaalsContact OE1-CE 3.23Å; E126-K130 WeakPolarHBondContact OE1-CE 3.26Å; E126-K130 IonicContact OE1-NZ 3.52Å; E126-K130 PolarHBondContact OE1-NZ 3.39Å; E127-K130 PolarHBondContact O-N 3.26Å; K130-I132 VanDerWaalsContact C-N 3.25Å; K130-I132 PolarHBondContact O-N 3.28Å; K130-F133 PolarHBondContact O-N 2.96Å; K130-K134 WeakPolarHBondContact O-CB 3.44Å; K130-K134 PolarHBondContact O-N 2.98Å; K130-W161 HydrophobicContact CD-CB 4.49Å; K130-W161 HydrophobicContact CG-CB 4.02Å; K130-V165 HydrophobicContact CB-CG2 3.76Å; K130-V165 HydrophobicContact CD-CG2 4.02Å; K130-V165 HydrophobicContact CG-CG2 3.63Å
131	A	94.8	Very high	92.6	Very high	51 Å²	51	48.4 Å²	48.4	42%	0.421	26%	0.256	S	S	.	.	H	α-helix	trans	-62.5	-33.9	175.6	0	0	0	0	0	112	E127 D128 V129 K134 K135	E127-A131 WeakPolarHBondContact O-CB 3.49Å; E127-A131 PolarHBondContact O-N 3.49Å; D128-A131 WeakPolarHBondContact O-CB 3.34Å; D128-A131 PolarHBondContact O-N 2.86Å; V129-A131 VanDerWaalsContact C-N 3.29Å; V129-A131 PolarHBondContact O-N 3.42Å; A131-K134 PolarHBondContact O-N 3.32Å; A131-K135 WeakPolarHBondContact O-CG 3.32Å; A131-K135 PolarHBondContact O-N 3.3Å
132	I	92.8	Very high	93.3	Very high	21 Å²	21	53.9 Å²	53.9	11%	0.108	27%	0.274	C	S	.	.	H	α-helix	trans	-66	-49.2	175.3	-64.9	164.3	0	0	0	110.7	D75 T117 S119 D128 V129 K130 K134 K135	D75-I132 HydrophobicContact CB-CD1 4.37Å; T117-I132 HydrophobicContact CG2-CB 4.34Å; T117-I132 HydrophobicContact CG2-CD1 4.44Å; T117-I132 HydrophobicContact CG2-CG2 3.85Å; S119-I132 VanDerWaalsContact CB-CD1 3.5Å; S119-I132 WeakPolarHBondContact OG-CD1 3.37Å; D128-I132 WeakPolarHBondContact O-CG1 3.46Å; D128-I132 PolarHBondContact O-N 3.45Å; V129-I132 WeakPolarHBondContact O-CB 3.32Å; V129-I132 PolarHBondContact O-N 3.32Å; V129-I132 VanDerWaalsContact O-N 3.12Å; K130-I132 VanDerWaalsContact C-N 3.25Å; K130-I132 PolarHBondContact O-N 3.28Å; I132-K134 VanDerWaalsContact C-N 3.27Å; I132-K134 PolarHBondContact O-N 3.31Å; I132-K135 PolarHBondContact O-N 2.93Å
133	F	95.4	Very high	94.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.2	-42.1	175.8	-60.6	-43.6	0	0	0	111.5	V114 T117 V129 K130 K135 Q136 I137 F153 E158 A162 V165	V114-F133 HydrophobicContact CB-CD1 4.07Å; V114-F133 HydrophobicContact CG1-CD1 4.5Å; V114-F133 HydrophobicContact CG2-CD1 4.11Å; V114-F133 HydrophobicContact CG2-CE1 4.47Å; T117-F133 HydrophobicContact CG2-CD1 4.3Å; T117-F133 HydrophobicContact CG2-CE1 3.54Å; T117-F133 HydrophobicContact CG2-CZ 3.81Å; V129-F133 HydrophobicContact CG1-CD2 4.29Å; V129-F133 HydrophobicContact CG1-CE2 3.54Å; V129-F133 HydrophobicContact CG1-CZ 3.89Å; V129-F133 PolarHBondContact O-N 3.39Å; K130-F133 PolarHBondContact O-N 2.96Å; F133-K135 VanDerWaalsContact C-N 3.32Å; F133-K135 PolarHBondContact O-N 2.85Å; F133-Q136 PolarHBondContact O-N 3.46Å; F133-I137 HydrophobicContact CB-CD1 4.2Å; F133-I137 VanDerWaalsContact O-CD1 3.24Å; F133-I137 WeakPolarHBondContact O-CD1 3.34Å; F133-I137 WeakPolarHBondContact O-CG1 3.38Å; F133-I137 PolarHBondContact O-N 3.49Å; F133-F153 HydrophobicContact CE1-CE1 4.29Å; F133-F153 HydrophobicContact CE1-CZ 4.01Å; F133-F153 AromaticContact CZ-CE1 3.77Å; F133-F153 HydrophobicContact CZ-CE1 3.77Å; F133-F153 AromaticContact CZ-CZ 3.89Å; F133-F153 HydrophobicContact CZ-CZ 3.89Å; F133-E158 HydrophobicContact CE2-CG 4.33Å; F133-E158 HydrophobicContact CZ-CG 4.09Å; F133-A162 HydrophobicContact CD2-CB 3.91Å; F133-A162 HydrophobicContact CE1-CB 4.32Å; F133-A162 HydrophobicContact CE2-CB 3.69Å; F133-A162 HydrophobicContact CG-CB 4.33Å; F133-A162 HydrophobicContact CZ-CB 3.95Å; F133-V165 HydrophobicContact CB-CB 4.36Å; F133-V165 HydrophobicContact CB-CG1 4.34Å
134	K	95.1	Very high	94.8	Very high	84 Å²	84	56.4 Å²	56.4	37%	0.365	28%	0.278	S	S	.	.	H	α-helix	trans	-57.7	-42.6	-179.2	-177.9	54.4	175.8	155.2	0	112.3	K130 A131 I132 Q136 I137 D138 V165	K130-K134 WeakPolarHBondContact O-CB 3.44Å; K130-K134 PolarHBondContact O-N 2.98Å; A131-K134 PolarHBondContact O-N 3.32Å; I132-K134 VanDerWaalsContact C-N 3.27Å; I132-K134 PolarHBondContact O-N 3.31Å; K134-Q136 PolarHBondContact O-N 3.02Å; K134-I137 PolarHBondContact O-N 2.88Å; K134-D138 WeakPolarHBondContact CE-OD1 3.43Å; K134-D138 IonicContact NZ-OD1 2.63Å; K134-D138 PolarHBondContact NZ-OD1 3.42Å; K134-D138 IonicContact NZ-OD2 3.97Å; K134-D138 VanDerWaalsContact O-CG 3.3Å; K134-D138 PolarHBondContact O-N 3.49Å; K134-V165 HydrophobicContact CB-CG1 4.04Å; K134-V165 HydrophobicContact CD-CG1 4.27Å
135	K	93.2	Very high	95.4	Very high	119 Å²	119	52 Å²	52	52%	0.517	26%	0.259	S	S	.	.	H	α-helix	trans	-58.1	-44.9	177.1	-73.8	176	172.3	-176	0	113	D74 A131 I132 F133	D74-K135 WeakPolarHBondContact OD2-CD 3.26Å; D74-K135 IonicContact OD2-NZ 3.49Å; D74-K135 PolarHBondContact OD2-NZ 3.1Å; A131-K135 WeakPolarHBondContact O-CG 3.32Å; A131-K135 PolarHBondContact O-N 3.3Å; I132-K135 PolarHBondContact O-N 2.93Å; F133-K135 VanDerWaalsContact C-N 3.32Å; F133-K135 PolarHBondContact O-N 2.85Å
136	Q	93.4	Very high	95.8	Very high	3 Å²	3	52.1 Å²	52.1	1%	0.014	26%	0.256	C	S	.	.	H	α-helix	trans	-68.8	-40.4	177.8	-66.1	-171.4	-90.8	0	0	111.6	T69 V114 F133 K134 D138 V139 F140	T69-Q136 PolarHBondContact O-NE2 3.08Å; V114-Q136 HydrophobicContact CG1-CB 4.07Å; F133-Q136 PolarHBondContact O-N 3.46Å; K134-Q136 PolarHBondContact O-N 3.02Å; Q136-D138 VanDerWaalsContact C-N 3.3Å; Q136-D138 PolarHBondContact O-N 2.76Å; Q136-V139 WeakPolarHBondContact O-CB 3.11Å; Q136-V139 PolarHBondContact O-N 3.25Å; Q136-V139 VanDerWaalsContact O-N 3.16Å; Q136-F140 HydrophobicContact CB-CE2 3.92Å; Q136-F140 HydrophobicContact CB-CZ 4.16Å; Q136-F140 WeakPolarHBondContact O-CD2 3.11Å; Q136-F140 WeakPolarHBondContact O-CG 3.22Å; Q136-F140 PolarHBondContact O-N 2.92Å; Q136-F140 VanDerWaalsContact O-N 3.08Å
137	I	94.4	Very high	96	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63	-37.5	178.9	-64.7	157.5	0	0	0	111.6	F133 K134 V139 F140 V141 V165 L166	F133-I137 HydrophobicContact CB-CD1 4.2Å; F133-I137 VanDerWaalsContact O-CD1 3.24Å; F133-I137 WeakPolarHBondContact O-CD1 3.34Å; F133-I137 WeakPolarHBondContact O-CG1 3.38Å; F133-I137 PolarHBondContact O-N 3.49Å; K134-I137 PolarHBondContact O-N 2.88Å; I137-V139 PolarHBondContact O-N 2.89Å; I137-F140 PolarHBondContact O-N 2.82Å; I137-F140 VanDerWaalsContact O-N 3.1Å; I137-V141 HydrophobicContact CG2-CG2 4.03Å; I137-V141 WeakPolarHBondContact O-CG2 3.45Å; I137-V141 PolarHBondContact O-N 3.46Å; I137-V165 HydrophobicContact CD1-CB 3.86Å; I137-V165 HydrophobicContact CD1-CG1 3.27Å; I137-L166 HydrophobicContact CD1-CD1 3.46Å; I137-L166 VanDerWaalsContact CD1-CD1 3.46Å; I137-L166 HydrophobicContact CD1-CG 4.11Å; I137-L166 HydrophobicContact CG1-CD1 3.93Å; I137-L166 HydrophobicContact CG1-CG 4.32Å
138	D	95.8	Very high	96.1	Very high	66 Å²	66	42.3 Å²	42.3	35%	0.353	21%	0.21	S	C	.	.	H	α-helix	trans	-59.8	-38.6	176.9	-72.4	-21.7	0	0	0	111.4	K134 Q136 R142	K134-D138 WeakPolarHBondContact CE-OD1 3.43Å; K134-D138 IonicContact NZ-OD1 2.63Å; K134-D138 PolarHBondContact NZ-OD1 3.42Å; K134-D138 IonicContact NZ-OD2 3.97Å; K134-D138 VanDerWaalsContact O-CG 3.3Å; K134-D138 PolarHBondContact O-N 3.49Å; Q136-D138 VanDerWaalsContact C-N 3.3Å; Q136-D138 PolarHBondContact O-N 2.76Å; D138-R142 WeakPolarHBondContact O-CG 3.39Å; D138-R142 PolarHBondContact O-N 3.48Å; D138-R142 VanDerWaalsContact O-N 3.08Å
139	V	97.3	Very high	96.4	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.018	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-50	171.4	-179.5	0	0	0	0	110.9	E89 N92 E93 Q136 I137 V141 R142 K143	E89-V139 HydrophobicContact CG-CG2 4.04Å; N92-V139 HydrophobicContact CB-CB 4.36Å; N92-V139 HydrophobicContact CB-CG1 3.9Å; N92-V139 HydrophobicContact CB-CG2 4.35Å; E93-V139 HydrophobicContact CG-CG1 3.66Å; Q136-V139 WeakPolarHBondContact O-CB 3.11Å; Q136-V139 PolarHBondContact O-N 3.25Å; Q136-V139 VanDerWaalsContact O-N 3.16Å; I137-V139 PolarHBondContact O-N 2.89Å; V139-V141 VanDerWaalsContact C-N 3.31Å; V139-V141 PolarHBondContact O-N 3.39Å; V139-R142 PolarHBondContact O-N 2.79Å; V139-K143 HydrophobicContact CG1-CG 4.12Å; V139-K143 WeakPolarHBondContact O-CB 3.43Å; V139-K143 WeakPolarHBondContact O-CG 3.14Å; V139-K143 PolarHBondContact O-N 3.09Å
140	F	97.8	Very high	96.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-37.2	-178.1	-58.6	-32.7	0	0	0	113.3	T69 G113 V114 Q136 I137 N144 V145 L148	T69-F140 HydrophobicContact CG2-CE1 4.17Å; G113-F140 WeakPolarHBondContact O-CZ 3.14Å; V114-F140 HydrophobicContact CG1-CE2 3.87Å; Q136-F140 HydrophobicContact CB-CE2 3.92Å; Q136-F140 HydrophobicContact CB-CZ 4.16Å; Q136-F140 WeakPolarHBondContact O-CD2 3.11Å; Q136-F140 WeakPolarHBondContact O-CG 3.22Å; Q136-F140 PolarHBondContact O-N 2.92Å; Q136-F140 VanDerWaalsContact O-N 3.08Å; I137-F140 PolarHBondContact O-N 2.82Å; I137-F140 VanDerWaalsContact O-N 3.1Å; F140-N144 PolarHBondContact O-N 3.48Å; F140-V145 HydrophobicContact CB-CG1 4.09Å; F140-V145 HydrophobicContact CB-CG2 3.83Å; F140-V145 HydrophobicContact CD1-CG1 4.37Å; F140-V145 PolarHBondContact O-N 2.94Å; F140-V145 VanDerWaalsContact O-N 3.12Å; F140-L148 HydrophobicContact CB-CD2 3.84Å; F140-L148 HydrophobicContact CD2-CD2 3.75Å; F140-L148 HydrophobicContact CG-CD2 4.12Å
141	V	96.8	Very high	96.7	Very high	63 Å²	63	36.4 Å²	36.4	38%	0.382	18%	0.181	S	C	.	.	H	α-helix	trans	-68.2	-48	175.5	171.2	0	0	0	0	110.5	I137 V139 K143 N144	I137-V141 HydrophobicContact CG2-CG2 4.03Å; I137-V141 WeakPolarHBondContact O-CG2 3.45Å; I137-V141 PolarHBondContact O-N 3.46Å; V139-V141 VanDerWaalsContact C-N 3.31Å; V139-V141 PolarHBondContact O-N 3.39Å; V141-K143 VanDerWaalsContact C-N 3.3Å; V141-K143 PolarHBondContact O-N 3.3Å; V141-N144 PolarHBondContact O-N 3.15Å
142	R	97.9	Very high	96.9	Very high	141 Å²	141	36 Å²	36	53%	0.532	17%	0.169	S	C	.	.	H	α-helix	trans	-60	-39.8	176.4	-72.9	-172.2	-45.4	-158.5	5	112.3	E89 E93 D138 V139 N144	E89-R142 IonicContact OE1-CZ 3.24Å; E89-R142 VanDerWaalsContact OE1-CZ 3.24Å; E89-R142 IonicContact OE1-NH1 2.9Å; E89-R142 PolarHBondContact OE1-NH1 3.37Å; E89-R142 IonicContact OE1-NH2 3.38Å; E89-R142 PolarHBondContact OE1-NH2 2.9Å; E93-R142 IonicContact OE1-CZ 3.53Å; E93-R142 IonicContact OE1-NE 3.99Å; E93-R142 IonicContact OE1-NH2 3.61Å; E93-R142 PolarHBondContact OE1-NH2 2.99Å; D138-R142 WeakPolarHBondContact O-CG 3.39Å; D138-R142 PolarHBondContact O-N 3.48Å; D138-R142 VanDerWaalsContact O-N 3.08Å; V139-R142 PolarHBondContact O-N 2.79Å; R142-N144 PolarHBondContact O-N 2.87Å
143	K	98.3	Very high	97.1	Very high	55 Å²	55	35 Å²	35	24%	0.239	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-1.2	177.2	-65.7	-66	-169.5	172.4	0	113.7	E93 C96 D97 V139 V141 V145	E93-K143 VanDerWaalsContact CB-CE 3.5Å; C96-K143 HydrophobicContact CB-CB 3.74Å; C96-K143 HydrophobicContact CB-CD 4.24Å; C96-K143 HydrophobicContact CB-CG 3.68Å; D97-K143 WeakPolarHBondContact OD1-CD 3.48Å; D97-K143 WeakPolarHBondContact OD1-CE 3.25Å; D97-K143 IonicContact OD1-NZ 3.16Å; D97-K143 PolarHBondContact OD1-NZ 3.15Å; D97-K143 IonicContact OD2-NZ 3.61Å; D97-K143 PolarHBondContact OD2-NZ 3.24Å; V139-K143 HydrophobicContact CG1-CG 4.12Å; V139-K143 WeakPolarHBondContact O-CB 3.43Å; V139-K143 WeakPolarHBondContact O-CG 3.14Å; V139-K143 PolarHBondContact O-N 3.09Å; V141-K143 VanDerWaalsContact C-N 3.3Å; V141-K143 PolarHBondContact O-N 3.3Å; K143-V145 PolarHBondContact O-N 3.01Å
144	N	97.8	Very high	97.2	Very high	99 Å²	99	35.9 Å²	35.9	53%	0.529	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	55.3	178	-167.4	38.1	0	0	0	113.4	R100 F140 V141 R142 K171	R100-N144 PolarHBondContact NH2-O 3.08Å; F140-N144 PolarHBondContact O-N 3.48Å; V141-N144 PolarHBondContact O-N 3.15Å; R142-N144 PolarHBondContact O-N 2.87Å; N144-K171 PolarHBondContact OD1-NZ 2.92Å
145	V	98.4	Very high	97.3	Very high	1 Å²	1	32 Å²	32	1%	0.006	15%	0.151	C	C	.	.			trans	-59.8	154.2	167.9	-56	0	0	0	0	110.3	T67 V110 F140 K143 F147 L148 K171	T67-V145 HydrophobicContact CG2-CG1 4.36Å; V110-V145 HydrophobicContact CG1-CB 4.2Å; V110-V145 HydrophobicContact CG1-CG1 3.89Å; F140-V145 HydrophobicContact CB-CG1 4.09Å; F140-V145 HydrophobicContact CB-CG2 3.83Å; F140-V145 HydrophobicContact CD1-CG1 4.37Å; F140-V145 PolarHBondContact O-N 2.94Å; F140-V145 VanDerWaalsContact O-N 3.12Å; K143-V145 PolarHBondContact O-N 3.01Å; V145-F147 WeakPolarHBondContact CG2-O 3.49Å; V145-L148 HydrophobicContact CG2-CD2 3.68Å; V145-L148 HydrophobicContact CG2-CG 4.44Å; V145-K171 HydrophobicContact CG2-CD 4.13Å; V145-K171 VanDerWaalsContact O-CD 3.29Å; V145-K171 WeakPolarHBondContact O-CD 3.21Å; V145-K171 WeakPolarHBondContact O-CE 3.49Å; V145-K171 PolarHBondContact O-NZ 3.22Å
146	D	98.7	Very high	97.6	Very high	50 Å²	50	26.4 Å²	26.4	27%	0.267	13%	0.126	S	C	.	.	S	Bend	trans	-78.6	-35.2	-174.6	-61.2	-54.5	0	0	0	111.8	R100 L109 V110	R100-D146 IonicContact CZ-OD1 3.04Å; R100-D146 IonicContact CZ-OD2 3.13Å; R100-D146 IonicContact NH1-OD1 3.39Å; R100-D146 IonicContact NH1-OD2 3.86Å; R100-D146 PolarHBondContact NH1-OD2 3.27Å; R100-D146 IonicContact NH2-OD1 3.81Å; R100-D146 PolarHBondContact NH2-OD1 3.32Å; R100-D146 VanDerWaalsContact NH2-OD1 3.14Å; R100-D146 IonicContact NH2-OD2 2.55Å; R100-D146 PolarHBondContact NH2-OD2 2.92Å; L109-D146 WeakPolarHBondContact CA-OD2 3.29Å; L109-D146 HydrophobicContact CB-CB 3.96Å; L109-D146 HydrophobicContact CD2-CB 4.03Å; L109-D146 HydrophobicContact CG-CB 4.42Å; V110-D146 PolarHBondContact N-OD2 2.58Å; V110-D146 WeakPolarHBondContact O-CB 3.5Å; V110-D146 PolarHBondContact O-N 3.16Å
147	F	98.9	Very high	97.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	175.5	174.3	72.4	-76.1	0	0	0	111.5	I7 V64 L109 V110 A111 G112 V145 I149 P172 Y287	I7-F147 HydrophobicContact CB-CB 4.47Å; I7-F147 HydrophobicContact CB-CD1 4.01Å; I7-F147 HydrophobicContact CB-CE1 4.38Å; I7-F147 HydrophobicContact CB-CG 4.15Å; I7-F147 HydrophobicContact CD1-CE1 4.39Å; I7-F147 HydrophobicContact CD1-CZ 4.35Å; I7-F147 HydrophobicContact CG1-CD1 4.36Å; I7-F147 HydrophobicContact CG1-CD2 4.41Å; I7-F147 HydrophobicContact CG1-CE1 4.36Å; I7-F147 HydrophobicContact CG1-CE2 4.4Å; I7-F147 HydrophobicContact CG1-CG 4.38Å; I7-F147 HydrophobicContact CG1-CZ 4.37Å; I7-F147 HydrophobicContact CG2-CB 3.65Å; I7-F147 HydrophobicContact CG2-CD1 4.13Å; I7-F147 HydrophobicContact CG2-CD2 4.35Å; I7-F147 HydrophobicContact CG2-CG 3.81Å; V64-F147 HydrophobicContact CB-CZ 4.48Å; V64-F147 HydrophobicContact CG1-CE1 3.95Å; V64-F147 HydrophobicContact CG1-CZ 3.7Å; V64-F147 HydrophobicContact CG2-CE1 4.06Å; V64-F147 HydrophobicContact CG2-CZ 3.89Å; L109-F147 HydrophobicContact CB-CD1 4.44Å; L109-F147 HydrophobicContact CB-CE1 4.18Å; V110-F147 PolarHBondContact O-N 3.04Å; A111-F147 WeakPolarHBondContact CA-O 3.4Å; A111-F147 HydrophobicContact CB-CD1 4.08Å; A111-F147 HydrophobicContact CB-CD2 4.3Å; A111-F147 HydrophobicContact CB-CE1 3.56Å; A111-F147 HydrophobicContact CB-CE2 3.82Å; A111-F147 HydrophobicContact CB-CG 4.43Å; A111-F147 HydrophobicContact CB-CZ 3.41Å; A111-F147 VanDerWaalsContact CB-CZ 3.41Å; G112-F147 PolarHBondContact N-O 3.03Å; V145-F147 WeakPolarHBondContact CG2-O 3.49Å; F147-I149 HydrophobicContact CD2-CG1 4.06Å; F147-I149 HydrophobicContact CE2-CD1 3.68Å; F147-I149 HydrophobicContact CE2-CG1 3.54Å; F147-I149 HydrophobicContact CZ-CD1 4.04Å; F147-I149 HydrophobicContact CZ-CG1 4.36Å; F147-P172 HydrophobicContact CB-CB 4.08Å; F147-P172 HydrophobicContact CB-CG 4.49Å; F147-P172 WeakPolarHBondContact CB-O 3.22Å; F147-Y287 HydrophobicContact CE2-CE2 4.25Å; F147-Y287 AromaticContact CZ-CE2 3.98Å; F147-Y287 HydrophobicContact CZ-CE2 3.98Å
148	L	98.8	Very high	98	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	149.5	-176.8	-60.9	168.6	0	0	0	111.3	G112 F140 V145 L166 S169 K171 P172 V173 A174	G112-L148 CarbonylContact O-C 3.51Å; G112-L148 WeakPolarHBondContact O-CA 3.47Å; F140-L148 HydrophobicContact CB-CD2 3.84Å; F140-L148 HydrophobicContact CD2-CD2 3.75Å; F140-L148 HydrophobicContact CG-CD2 4.12Å; V145-L148 HydrophobicContact CG2-CD2 3.68Å; V145-L148 HydrophobicContact CG2-CG 4.44Å; L148-L166 HydrophobicContact CB-CB 4.45Å; L148-L166 HydrophobicContact CB-CD2 3.65Å; L148-L166 HydrophobicContact CB-CG 4Å; L148-L166 HydrophobicContact CD1-CB 4.06Å; L148-L166 HydrophobicContact CD1-CG 3.99Å; L148-S169 WeakPolarHBondContact CD1-OG 3.38Å; L148-K171 HydrophobicContact CD1-CB 4.49Å; L148-P172 PolarHBondContact N-O 3.07Å; L148-V173 WeakPolarHBondContact O-CA 3.31Å; L148-A174 PolarHBondContact O-N 3.31Å
149	I	98.8	Very high	98.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124.6	178.6	-55.6	174.7	0	0	0	108.9	A111 G112 G113 V114 F147 E151 A174 M237	A111-I149 HydrophobicContact CB-CD1 3.48Å; A111-I149 VanDerWaalsContact CB-CD1 3.48Å; A111-I149 HydrophobicContact CB-CG1 3.96Å; G112-I149 PolarHBondContact O-N 3.33Å; G113-I149 CarbonylContact C-O 3.55Å; G113-I149 WeakPolarHBondContact CA-O 3.27Å; V114-I149 PolarHBondContact N-O 2.93Å; F147-I149 HydrophobicContact CD2-CG1 4.06Å; F147-I149 HydrophobicContact CE2-CD1 3.68Å; F147-I149 HydrophobicContact CE2-CG1 3.54Å; F147-I149 HydrophobicContact CZ-CD1 4.04Å; F147-I149 HydrophobicContact CZ-CG1 4.36Å; I149-E151 HydrophobicContact CG2-CB 3.83Å; I149-E151 HydrophobicContact CG2-CG 4.27Å; I149-A174 CarbonylContact C-O 3.58Å; I149-A174 WeakPolarHBondContact CA-O 3.11Å; I149-A174 HydrophobicContact CG1-CB 4.11Å; I149-A174 HydrophobicContact CG2-CB 4.45Å; I149-M237 HydrophobicContact CD1-CE 4.39Å; I149-M237 HydrophobicContact CG2-CE 4.5Å
150	A	98.6	Very high	98.2	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	101.2	161.9	0	0	0	0	0	108.1	V114 F153 A162 V163 L166 A174 A175 T176	V114-A150 HydrophobicContact CG2-CB 4.26Å; A150-F153 HydrophobicContact CB-CD2 4.44Å; A150-F153 HydrophobicContact CB-CE2 3.78Å; A150-F153 HydrophobicContact CB-CZ 4.5Å; A150-A162 HydrophobicContact CB-CB 4.05Å; A150-V163 HydrophobicContact CB-CG2 4.34Å; A150-L166 HydrophobicContact CB-CD2 4.06Å; A150-A174 PolarHBondContact N-O 3.06Å; A150-A175 HydrophobicContact CB-CB 4.47Å; A150-A175 CarbonylContact O-C 3.49Å; A150-A175 VanDerWaalsContact O-CA 3.3Å; A150-A175 WeakPolarHBondContact O-CA 3.3Å; A150-T176 PolarHBondContact O-N 2.95Å
151	E	98.4	Very high	98.2	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.037	14%	0.138	C	C	.	.			trans	-118.4	161.2	-175.2	58.9	170.1	173.6	0	0	112.3	Q66 F70 V114 S115 I149 F153 T176	Q66-E151 PolarHBondContact NE2-OE1 2.99Å; Q66-E151 PolarHBondContact NE2-OE2 3.07Å; Q66-E151 VanDerWaalsContact NE2-OE2 3.07Å; F70-E151 HydrophobicContact CD2-CG 4.24Å; F70-E151 WeakPolarHBondContact CD2-OE1 3.37Å; F70-E151 HydrophobicContact CE2-CG 4.43Å; V114-E151 PolarHBondContact O-N 2.96Å; S115-E151 WeakPolarHBondContact CA-O 3.33Å; S115-E151 WeakPolarHBondContact CB-O 3.28Å; I149-E151 HydrophobicContact CG2-CB 3.83Å; I149-E151 HydrophobicContact CG2-CG 4.27Å; E151-F153 VanDerWaalsContact O-CD2 3.24Å; E151-F153 WeakPolarHBondContact O-CD2 3.04Å; E151-F153 WeakPolarHBondContact O-CE2 3.5Å; E151-T176 WeakPolarHBondContact CA-O 3.42Å; E151-T176 WeakPolarHBondContact CB-OG1 3.24Å
152	Y	97.6	Very high	98.3	Very high	43 Å²	43	26.6 Å²	26.6	17%	0.169	12%	0.12	C	C	.	.			trans	57.3	64.4	175.5	-165.4	-95.4	0	0	0	112.3	F70 Q116 T176 C178 N208 C209 H210 I254	F70-Y152 VanDerWaalsContact CE2-CB 3.42Å; F70-Y152 HydrophobicContact CE2-CD1 4.01Å; F70-Y152 HydrophobicContact CE2-CD2 4.43Å; F70-Y152 AromaticContact CE2-CG 3.73Å; F70-Y152 HydrophobicContact CE2-CG 3.73Å; F70-Y152 AromaticContact CZ-CD1 3.48Å; F70-Y152 HydrophobicContact CZ-CD1 3.48Å; F70-Y152 VanDerWaalsContact CZ-CD1 3.48Å; F70-Y152 HydrophobicContact CZ-CD2 4.1Å; F70-Y152 HydrophobicContact CZ-CE1 4.06Å; F70-Y152 AromaticContact CZ-CG 3.53Å; F70-Y152 HydrophobicContact CZ-CG 3.53Å; Q116-Y152 VanDerWaalsContact CB-O 3.3Å; Q116-Y152 WeakPolarHBondContact CB-O 3.26Å; Q116-Y152 HydrophobicContact CG-CD1 3.9Å; Q116-Y152 HydrophobicContact CG-CE1 4.18Å; Q116-Y152 VanDerWaalsContact CG-O 3.28Å; Q116-Y152 WeakPolarHBondContact CG-O 3.39Å; Q116-Y152 PolarHBondContact N-O 3.09Å; Q116-Y152 VanDerWaalsContact N-O 3.16Å; Q116-Y152 PolarHBondContact OE1-O 2.91Å; Y152-T176 PolarHBondContact N-O 3.22Å; Y152-C178 HydrophobicContact CD2-CB 4.12Å; Y152-N208 PolarHBondContact N-ND2 3.14Å; Y152-N208 PolarHBondContact N-OD1 3.33Å; Y152-C209 HydrophobicContact CD2-CB 3.87Å; Y152-C209 HydrophobicContact CE2-CB 4.27Å; Y152-H210 AromaticContact CE2-CD2 3.69Å; Y152-H210 AromaticContact CE2-NE2 3.26Å; Y152-H210 VanDerWaalsContact CE2-NE2 3.26Å; Y152-H210 WeakPolarHBondContact CE2-NE2 3.3Å; Y152-H210 AromaticContact CZ-NE2 3.48Å; Y152-H210 PolarHBondContact OH-NE2 2.9Å; Y152-H210 VanDerWaalsContact OH-NE2 3.16Å; Y152-I254 VanDerWaalsContact OH-CD1 3.24Å; Y152-I254 WeakPolarHBondContact OH-CD1 3.42Å
153	F	98.3	Very high	98.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.095	C	C	.	.			trans	-121.5	124.5	171.5	-71.5	-92.3	0	0	0	109.7	Q116 F133 A150 E151 E158 A159 A162 L177 C178	Q116-F153 HydrophobicContact CB-CD1 3.74Å; Q116-F153 HydrophobicContact CB-CE1 4.07Å; Q116-F153 HydrophobicContact CB-CG 4.3Å; F133-F153 HydrophobicContact CE1-CE1 4.29Å; F133-F153 HydrophobicContact CE1-CZ 4.01Å; F133-F153 AromaticContact CZ-CE1 3.77Å; F133-F153 HydrophobicContact CZ-CE1 3.77Å; F133-F153 AromaticContact CZ-CZ 3.89Å; F133-F153 HydrophobicContact CZ-CZ 3.89Å; A150-F153 HydrophobicContact CB-CD2 4.44Å; A150-F153 HydrophobicContact CB-CE2 3.78Å; A150-F153 HydrophobicContact CB-CZ 4.5Å; E151-F153 VanDerWaalsContact O-CD2 3.24Å; E151-F153 WeakPolarHBondContact O-CD2 3.04Å; E151-F153 WeakPolarHBondContact O-CE2 3.5Å; F153-E158 HydrophobicContact CD1-CB 4.01Å; F153-E158 HydrophobicContact CD1-CG 4.12Å; F153-E158 HydrophobicContact CE1-CB 4.21Å; F153-E158 HydrophobicContact CE1-CG 3.84Å; F153-A159 HydrophobicContact CB-CB 3.77Å; F153-A159 HydrophobicContact CD1-CB 3.96Å; F153-A159 HydrophobicContact CD2-CB 4.14Å; F153-A159 HydrophobicContact CG-CB 3.7Å; F153-A162 HydrophobicContact CE1-CB 4.11Å; F153-A162 HydrophobicContact CE2-CB 4.24Å; F153-A162 HydrophobicContact CZ-CB 3.56Å; F153-L177 HydrophobicContact CB-CD2 3.61Å; F153-L177 WeakPolarHBondContact O-CA 3.12Å; F153-L177 WeakPolarHBondContact O-CB 3.43Å; F153-C178 VanDerWaalsContact C-SG 3.55Å; F153-C178 PolarHBondContact O-N 3.28Å
154	E	97.4	Very high	98.3	Very high	18 Å²	18	20.8 Å²	20.8	8%	0.084	10%	0.1	C	C	.	.	S	Bend	trans	-87.2	-14	175.2	-65.7	172.3	125.4	0	0	112.9	Q116 C178 D184 L185 H210 Q251	Q116-E154 PolarHBondContact NE2-OE2 3.09Å; Q116-E154 PolarHBondContact OE1-OE2 3.13Å; E154-C178 VanDerWaalsContact CG-SG 3.51Å; E154-D184 WeakPolarHBondContact O-CB 3.35Å; E154-L185 HydrophobicContact CB-CD1 3.68Å; E154-L185 HydrophobicContact CB-CG 4Å; E154-L185 HydrophobicContact CG-CD1 4.23Å; E154-L185 PolarHBondContact O-N 3.12Å; E154-H210 IonicContact OE1-CE1 3.35Å; E154-Q251 PolarHBondContact OE1-NE2 3.34Å
155	H	97.9	Very high	98.4	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	8%	0.079	C	C	.	.			trans	-127.8	123.3	-179	-55.2	82.8	0	0	0	109.2	Y120 E157 E158 A159	Y120-H155 HydrophobicContact CE1-CB 3.74Å; Y120-H155 AromaticContact CE1-CD2 3.95Å; Y120-H155 AromaticContact CE1-CE1 3.96Å; Y120-H155 AromaticContact CE1-CG 3.48Å; Y120-H155 VanDerWaalsContact CE1-CG 3.48Å; Y120-H155 AromaticContact CE1-ND1 3.5Å; Y120-H155 WeakPolarHBondContact CE1-ND1 3.37Å; Y120-H155 AromaticContact CZ-CG 3.92Å; Y120-H155 WeakPolarHBondContact OH-CB 3.38Å; H155-E157 PolarHBondContact O-N 2.55Å; H155-E158 PolarHBondContact O-N 3.16Å; H155-A159 PolarHBondContact O-N 2.78Å
156	V	98.6	Very high	98.4	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.012	8%	0.079	C	C	.	.	H	α-helix	trans	-67.9	-26.7	-179.5	69.7	0	0	0	0	112.2	E158 A159 E160 L177 D184 V188 C193 K196 L197	V156-E158 PolarHBondContact O-N 3.37Å; V156-A159 PolarHBondContact O-N 3.4Å; V156-E160 HydrophobicContact CG2-CG 4.23Å; V156-E160 WeakPolarHBondContact O-CG 3.39Å; V156-E160 PolarHBondContact O-N 3.17Å; V156-L177 HydrophobicContact CB-CD1 4.26Å; V156-L177 HydrophobicContact CG2-CD1 4.34Å; V156-D184 PolarHBondContact N-OD2 3.43Å; V156-V188 HydrophobicContact CG1-CB 4.2Å; V156-V188 HydrophobicContact CG1-CG1 4.09Å; V156-V188 HydrophobicContact CG1-CG2 4.27Å; V156-C193 HydrophobicContact CB-CB 4.18Å; V156-C193 HydrophobicContact CG2-CB 4.03Å; V156-K196 HydrophobicContact CG1-CD 3.85Å; V156-K196 HydrophobicContact CG2-CB 4.11Å; V156-K196 HydrophobicContact CG2-CD 4.31Å; V156-L197 HydrophobicContact CG2-CD2 4.11Å; V156-L197 HydrophobicContact CG2-CG 4.03Å
157	E	98	Very high	98.3	Very high	75 Å²	75	19.8 Å²	19.8	35%	0.35	9%	0.089	S	C	.	.	H	α-helix	trans	-52.5	-52.5	174.7	176.8	176.7	-121.3	0	0	111.6	Y120 H155 E160 W161 K369	Y120-E157 HydrophobicContact CE2-CB 4.49Å; Y120-E157 HydrophobicContact CE2-CG 4.2Å; Y120-E157 WeakPolarHBondContact CE2-OE2 3.39Å; Y120-E157 PolarHBondContact OH-OE2 3.04Å; H155-E157 PolarHBondContact O-N 2.55Å; E157-E160 PolarHBondContact O-N 2.91Å; E157-W161 HydrophobicContact CG-CH2 4.3Å; E157-W161 HydrophobicContact CG-CZ2 3.73Å; E157-W161 PolarHBondContact O-N 3.07Å; E157-K369 IonicContact OE2-NZ 2.82Å; E157-K369 PolarHBondContact OE2-NZ 2.97Å
158	E	98.1	Very high	98.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-69.5	-36.7	179.5	-163	-170.5	-178.7	0	0	111.9	Q116 T117 Y120 V129 F133 F153 H155 V156 E160 W161 A162	Q116-E158 VanDerWaalsContact CB-OE2 3.28Å; Q116-E158 WeakPolarHBondContact CB-OE2 3.43Å; T117-E158 WeakPolarHBondContact CB-OE1 3.3Å; T117-E158 PolarHBondContact N-OE1 2.7Å; T117-E158 PolarHBondContact OG1-OE1 3.34Å; Y120-E158 VanDerWaalsContact CB-OE1 3.27Å; Y120-E158 WeakPolarHBondContact CB-OE1 3.35Å; Y120-E158 WeakPolarHBondContact CB-OE2 3.31Å; Y120-E158 HydrophobicContact CD1-CB 4.21Å; Y120-E158 HydrophobicContact CD1-CG 4.4Å; Y120-E158 WeakPolarHBondContact CD1-OE2 3.27Å; Y120-E158 HydrophobicContact CD2-CB 3.68Å; Y120-E158 HydrophobicContact CD2-CG 3.74Å; Y120-E158 HydrophobicContact CE1-CB 4.34Å; Y120-E158 HydrophobicContact CE2-CB 3.79Å; Y120-E158 HydrophobicContact CE2-CG 4.36Å; Y120-E158 HydrophobicContact CG-CB 3.89Å; Y120-E158 VanDerWaalsContact CG-CD 3.46Å; Y120-E158 HydrophobicContact CG-CG 3.75Å; V129-E158 HydrophobicContact CG1-CG 4Å; F133-E158 HydrophobicContact CE2-CG 4.33Å; F133-E158 HydrophobicContact CZ-CG 4.09Å; F153-E158 HydrophobicContact CD1-CB 4.01Å; F153-E158 HydrophobicContact CD1-CG 4.12Å; F153-E158 HydrophobicContact CE1-CB 4.21Å; F153-E158 HydrophobicContact CE1-CG 3.84Å; H155-E158 PolarHBondContact O-N 3.16Å; V156-E158 PolarHBondContact O-N 3.37Å; E158-E160 VanDerWaalsContact C-N 3.33Å; E158-E160 PolarHBondContact O-N 3.09Å; E158-W161 HydrophobicContact CG-CE3 4.33Å; E158-W161 WeakPolarHBondContact O-CB 3.27Å; E158-W161 PolarHBondContact O-N 2.74Å; E158-W161 VanDerWaalsContact O-N 3.16Å; E158-A162 PolarHBondContact O-N 3.05Å
159	A	98.6	Very high	98.2	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-64.1	-37.1	176.9	0	0	0	0	0	112.1	F153 H155 V156 W161 A162 V163 L177 L197	F153-A159 HydrophobicContact CB-CB 3.77Å; F153-A159 HydrophobicContact CD1-CB 3.96Å; F153-A159 HydrophobicContact CD2-CB 4.14Å; F153-A159 HydrophobicContact CG-CB 3.7Å; H155-A159 PolarHBondContact O-N 2.78Å; V156-A159 PolarHBondContact O-N 3.4Å; A159-W161 VanDerWaalsContact C-N 3.32Å; A159-W161 PolarHBondContact O-N 3.38Å; A159-A162 PolarHBondContact O-N 3.17Å; A159-V163 WeakPolarHBondContact O-CG2 3.1Å; A159-V163 PolarHBondContact O-N 3.35Å; A159-L177 HydrophobicContact CB-CD2 3.58Å; A159-L197 HydrophobicContact CB-CD2 3.71Å
160	E	98.5	Very high	98.1	Very high	35 Å²	35	29.4 Å²	29.4	16%	0.164	16%	0.164	C	C	.	.	H	α-helix	trans	-59.9	-43.3	172.4	-74.6	-177.1	82.1	0	0	110.6	V156 E157 E158 V163 Q164 K196 A200	V156-E160 HydrophobicContact CG2-CG 4.23Å; V156-E160 WeakPolarHBondContact O-CG 3.39Å; V156-E160 PolarHBondContact O-N 3.17Å; E157-E160 PolarHBondContact O-N 2.91Å; E158-E160 VanDerWaalsContact C-N 3.33Å; E158-E160 PolarHBondContact O-N 3.09Å; E160-V163 PolarHBondContact O-N 3.09Å; E160-Q164 WeakPolarHBondContact O-CB 3.46Å; E160-Q164 WeakPolarHBondContact O-CG 2.91Å; E160-Q164 PolarHBondContact O-N 3.17Å; E160-K196 HydrophobicContact CG-CB 4.04Å; E160-K196 IonicContact OE1-NZ 2.77Å; E160-K196 WeakPolarHBondContact OE2-CD 3.22Å; E160-K196 IonicContact OE2-NZ 3.79Å; E160-K196 PolarHBondContact OE2-NZ 2.72Å; E160-A200 HydrophobicContact CB-CB 4.47Å; E160-A200 HydrophobicContact CG-CB 4.47Å
161	W	98.4	Very high	98.1	Very high	28 Å²	28	31.2 Å²	31.2	11%	0.106	17%	0.172	C	C	.	.	H	α-helix	trans	-62.5	-45.9	175.6	-59	-18.1	0	0	0	111.8	Y120 E126 V129 K130 E157 E158 A159 V163 Q164 V165	Y120-W161 HydrophobicContact CD2-CE3 4.31Å; Y120-W161 HydrophobicContact CD2-CH2 4.13Å; Y120-W161 AromaticContact CD2-CZ3 3.62Å; Y120-W161 HydrophobicContact CD2-CZ3 3.62Å; Y120-W161 HydrophobicContact CE2-CH2 4.1Å; Y120-W161 AromaticContact CE2-CZ3 4Å; Y120-W161 HydrophobicContact CE2-CZ3 4Å; E126-W161 HydrophobicContact CB-CD2 4.29Å; E126-W161 HydrophobicContact CB-CE3 4.38Å; E126-W161 HydrophobicContact CB-CH2 3.9Å; E126-W161 HydrophobicContact CB-CZ2 3.79Å; E126-W161 HydrophobicContact CB-CZ3 4.17Å; E126-W161 VanDerWaalsContact CD-NE1 3.29Å; E126-W161 HydrophobicContact CG-CD2 3.72Å; E126-W161 HydrophobicContact CG-CE3 4.18Å; E126-W161 HydrophobicContact CG-CG 4.04Å; E126-W161 HydrophobicContact CG-CH2 4.37Å; E126-W161 HydrophobicContact CG-CZ2 3.94Å; E126-W161 HydrophobicContact CG-CZ3 4.46Å; E126-W161 PolarHBondContact OE2-NE1 2.85Å; V129-W161 HydrophobicContact CB-CE3 4.08Å; V129-W161 HydrophobicContact CB-CZ3 4.16Å; V129-W161 HydrophobicContact CG1-CE3 3.9Å; V129-W161 HydrophobicContact CG1-CZ3 4.31Å; V129-W161 HydrophobicContact CG2-CZ3 4.24Å; K130-W161 HydrophobicContact CD-CB 4.49Å; K130-W161 HydrophobicContact CG-CB 4.02Å; E157-W161 HydrophobicContact CG-CH2 4.3Å; E157-W161 HydrophobicContact CG-CZ2 3.73Å; E157-W161 PolarHBondContact O-N 3.07Å; E158-W161 HydrophobicContact CG-CE3 4.33Å; E158-W161 WeakPolarHBondContact O-CB 3.27Å; E158-W161 PolarHBondContact O-N 2.74Å; E158-W161 VanDerWaalsContact O-N 3.16Å; A159-W161 VanDerWaalsContact C-N 3.32Å; A159-W161 PolarHBondContact O-N 3.38Å; W161-V163 PolarHBondContact O-N 3.29Å; W161-Q164 PolarHBondContact O-N 2.91Å; W161-V165 WeakPolarHBondContact O-CG2 3.34Å; W161-V165 PolarHBondContact O-N 3.05Å; W161-V165 VanDerWaalsContact O-N 3.08Å
162	A	98.4	Very high	98.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.5	-50.8	176.2	0	0	0	0	0	111.1	V114 F133 A150 F153 E158 A159 Q164 V165 L166	V114-A162 HydrophobicContact CG2-CB 4.3Å; F133-A162 HydrophobicContact CD2-CB 3.91Å; F133-A162 HydrophobicContact CE1-CB 4.32Å; F133-A162 HydrophobicContact CE2-CB 3.69Å; F133-A162 HydrophobicContact CG-CB 4.33Å; F133-A162 HydrophobicContact CZ-CB 3.95Å; A150-A162 HydrophobicContact CB-CB 4.05Å; F153-A162 HydrophobicContact CE1-CB 4.11Å; F153-A162 HydrophobicContact CE2-CB 4.24Å; F153-A162 HydrophobicContact CZ-CB 3.56Å; E158-A162 PolarHBondContact O-N 3.05Å; A159-A162 PolarHBondContact O-N 3.17Å; A162-Q164 VanDerWaalsContact C-N 3.31Å; A162-Q164 PolarHBondContact O-N 2.98Å; A162-V165 PolarHBondContact O-N 3.41Å; A162-V165 VanDerWaalsContact O-N 3.13Å; A162-L166 HydrophobicContact CB-CD1 4.5Å; A162-L166 WeakPolarHBondContact O-CB 3.33Å; A162-L166 WeakPolarHBondContact O-CD1 3.28Å; A162-L166 PolarHBondContact O-N 2.95Å
163	V	98.8	Very high	98.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.9	-43	178.4	171.1	0	0	0	0	111.7	A150 A159 E160 W161 V165 L166 K167 V173 A175 L197 A200 A202	A150-V163 HydrophobicContact CB-CG2 4.34Å; A159-V163 WeakPolarHBondContact O-CG2 3.1Å; A159-V163 PolarHBondContact O-N 3.35Å; E160-V163 PolarHBondContact O-N 3.09Å; W161-V163 PolarHBondContact O-N 3.29Å; V163-V165 VanDerWaalsContact C-N 3.34Å; V163-V165 PolarHBondContact O-N 3.22Å; V163-L166 PolarHBondContact O-N 3Å; V163-K167 VanDerWaalsContact O-CB 3.29Å; V163-K167 WeakPolarHBondContact O-CB 3.34Å; V163-K167 PolarHBondContact O-N 3.19Å; V163-V173 HydrophobicContact CG1-CG1 4.29Å; V163-V173 HydrophobicContact CG2-CG1 4.26Å; V163-A175 HydrophobicContact CG2-CB 3.69Å; V163-L197 HydrophobicContact CG2-CD2 4.09Å; V163-A200 HydrophobicContact CB-CB 4.04Å; V163-A200 HydrophobicContact CG1-CB 3.68Å; V163-A202 HydrophobicContact CG1-CB 4.18Å; V163-A202 HydrophobicContact CG2-CB 4.32Å
164	Q	98.4	Very high	98.2	Very high	74 Å²	74	30.2 Å²	30.2	35%	0.346	17%	0.172	S	C	.	.	H	α-helix	trans	-60.3	-42.3	177.6	-72.5	166.2	14	0	0	111.9	E160 W161 A162 T168 A200	E160-Q164 WeakPolarHBondContact O-CB 3.46Å; E160-Q164 WeakPolarHBondContact O-CG 2.91Å; E160-Q164 PolarHBondContact O-N 3.17Å; W161-Q164 PolarHBondContact O-N 2.91Å; A162-Q164 VanDerWaalsContact C-N 3.31Å; A162-Q164 PolarHBondContact O-N 2.98Å; Q164-T168 WeakPolarHBondContact O-CG2 3.41Å; Q164-A200 HydrophobicContact CG-CB 4.34Å
165	V	98.3	Very high	98.2	Very high	15 Å²	15	29.4 Å²	29.4	9%	0.091	17%	0.168	C	C	.	.	H	α-helix	trans	-69.9	-45.8	176.4	-171.6	0	0	0	0	110.6	K130 F133 K134 I137 W161 A162 V163 K167 T168	K130-V165 HydrophobicContact CB-CG2 3.76Å; K130-V165 HydrophobicContact CD-CG2 4.02Å; K130-V165 HydrophobicContact CG-CG2 3.63Å; F133-V165 HydrophobicContact CB-CB 4.36Å; F133-V165 HydrophobicContact CB-CG1 4.34Å; K134-V165 HydrophobicContact CB-CG1 4.04Å; K134-V165 HydrophobicContact CD-CG1 4.27Å; I137-V165 HydrophobicContact CD1-CB 3.86Å; I137-V165 HydrophobicContact CD1-CG1 3.27Å; W161-V165 WeakPolarHBondContact O-CG2 3.34Å; W161-V165 PolarHBondContact O-N 3.05Å; W161-V165 VanDerWaalsContact O-N 3.08Å; A162-V165 PolarHBondContact O-N 3.41Å; A162-V165 VanDerWaalsContact O-N 3.13Å; V163-V165 VanDerWaalsContact C-N 3.34Å; V163-V165 PolarHBondContact O-N 3.22Å; V165-K167 VanDerWaalsContact C-N 3.29Å; V165-K167 PolarHBondContact O-N 2.88Å; V165-T168 WeakPolarHBondContact O-CB 3.32Å; V165-T168 WeakPolarHBondContact O-CG2 3.31Å; V165-T168 PolarHBondContact O-N 3.24Å; V165-T168 VanDerWaalsContact O-N 3.08Å; V165-T168 PolarHBondContact O-OG1 2.92Å
166	L	98.3	Very high	98.3	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-58.3	-41.5	-179.4	-90.8	66.1	0	0	0	111.4	V114 I137 L148 A150 A162 V163 T168 S169 V173	V114-L166 HydrophobicContact CG1-CD1 4.4Å; V114-L166 HydrophobicContact CG2-CD1 3.6Å; V114-L166 HydrophobicContact CG2-CD2 4.18Å; I137-L166 HydrophobicContact CD1-CD1 3.46Å; I137-L166 VanDerWaalsContact CD1-CD1 3.46Å; I137-L166 HydrophobicContact CD1-CG 4.11Å; I137-L166 HydrophobicContact CG1-CD1 3.93Å; I137-L166 HydrophobicContact CG1-CG 4.32Å; L148-L166 HydrophobicContact CB-CB 4.45Å; L148-L166 HydrophobicContact CB-CD2 3.65Å; L148-L166 HydrophobicContact CB-CG 4Å; L148-L166 HydrophobicContact CD1-CB 4.06Å; L148-L166 HydrophobicContact CD1-CG 3.99Å; A150-L166 HydrophobicContact CB-CD2 4.06Å; A162-L166 HydrophobicContact CB-CD1 4.5Å; A162-L166 WeakPolarHBondContact O-CB 3.33Å; A162-L166 WeakPolarHBondContact O-CD1 3.28Å; A162-L166 PolarHBondContact O-N 2.95Å; V163-L166 PolarHBondContact O-N 3Å; L166-T168 PolarHBondContact O-N 3.38Å; L166-S169 VanDerWaalsContact O-CB 3.31Å; L166-S169 WeakPolarHBondContact O-CB 3.47Å; L166-S169 PolarHBondContact O-N 3.31Å; L166-S169 VanDerWaalsContact O-N 3.09Å; L166-S169 PolarHBondContact O-OG 3.27Å; L166-V173 HydrophobicContact CB-CG1 4.05Å; L166-V173 HydrophobicContact CB-CG2 3.83Å; L166-V173 HydrophobicContact CD2-CG1 3.94Å
167	K	97.4	Very high	98.3	Very high	113 Å²	113	29.3 Å²	29.3	49%	0.491	17%	0.167	S	C	.	.	H	α-helix	trans	-59.3	-28	178.5	-171.3	-175.8	-170.5	175.7	0	113.2	V163 V165 S169 G170	V163-K167 VanDerWaalsContact O-CB 3.29Å; V163-K167 WeakPolarHBondContact O-CB 3.34Å; V163-K167 PolarHBondContact O-N 3.19Å; V165-K167 VanDerWaalsContact C-N 3.29Å; V165-K167 PolarHBondContact O-N 2.88Å; K167-S169 PolarHBondContact O-N 3.09Å; K167-S169 VanDerWaalsContact O-N 3.15Å; K167-G170 PolarHBondContact O-N 2.97Å; K167-G170 VanDerWaalsContact O-N 3.11Å
168	T	97.4	Very high	98.3	Very high	97 Å²	97	25.8 Å²	25.8	60%	0.595	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.1	178.2	70.6	0	0	0	0	113.4	Q164 V165 L166 G170	Q164-T168 WeakPolarHBondContact O-CG2 3.41Å; V165-T168 WeakPolarHBondContact O-CB 3.32Å; V165-T168 WeakPolarHBondContact O-CG2 3.31Å; V165-T168 PolarHBondContact O-N 3.24Å; V165-T168 VanDerWaalsContact O-N 3.08Å; V165-T168 PolarHBondContact O-OG1 2.92Å; L166-T168 PolarHBondContact O-N 3.38Å; T168-G170 PolarHBondContact O-N 3.31Å
169	S	97.3	Very high	98.3	Very high	32 Å²	32	26 Å²	26	22%	0.224	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-17.2	175.5	69.6	0	0	0	0	113.9	L148 L166 K167 K171	L148-S169 WeakPolarHBondContact CD1-OG 3.38Å; L166-S169 VanDerWaalsContact O-CB 3.31Å; L166-S169 WeakPolarHBondContact O-CB 3.47Å; L166-S169 PolarHBondContact O-N 3.31Å; L166-S169 VanDerWaalsContact O-N 3.09Å; L166-S169 PolarHBondContact O-OG 3.27Å; K167-S169 PolarHBondContact O-N 3.09Å; K167-S169 VanDerWaalsContact O-N 3.15Å; S169-K171 PolarHBondContact O-N 3.22Å; S169-K171 WeakPolarHBondContact OG-CB 3.44Å; S169-K171 PolarHBondContact OG-N 2.96Å; S169-K171 VanDerWaalsContact OG-N 3.14Å
170	G	97.1	Very high	98.3	Very high	73 Å²	73	26.1 Å²	26.1	75%	0.753	15%	0.153	S	C	*	.	S	Bend	trans	72.6	3.7	-171	0	0	0	0	0	114.7	K167 T168	K167-G170 PolarHBondContact O-N 2.97Å; K167-G170 VanDerWaalsContact O-N 3.11Å; T168-G170 PolarHBondContact O-N 3.31Å
171	K	98.1	Very high	98.3	Very high	39 Å²	39	26.3 Å²	26.3	17%	0.17	16%	0.158	C	C	.	.	S	Bend	trans	-90.1	156	176.4	-63.4	-178.9	177.5	-72.2	0	111.2	N144 V145 L148 S169	N144-K171 PolarHBondContact OD1-NZ 2.92Å; V145-K171 HydrophobicContact CG2-CD 4.13Å; V145-K171 VanDerWaalsContact O-CD 3.29Å; V145-K171 WeakPolarHBondContact O-CD 3.21Å; V145-K171 WeakPolarHBondContact O-CE 3.49Å; V145-K171 PolarHBondContact O-NZ 3.22Å; L148-K171 HydrophobicContact CD1-CB 4.49Å; S169-K171 PolarHBondContact O-N 3.22Å; S169-K171 WeakPolarHBondContact OG-CB 3.44Å; S169-K171 PolarHBondContact OG-N 2.96Å; S169-K171 VanDerWaalsContact OG-N 3.14Å
172	P	98.8	Very high	98.3	Very high	30 Å²	30	31.6 Å²	31.6	20%	0.195	18%	0.184	C	C	.	.			trans	-57.4	143.9	171.8	-24	35	0	0	0	111.9	I7 L8 F147 L148 N203	I7-P172 HydrophobicContact CG2-CB 3.62Å; I7-P172 HydrophobicContact CG2-CG 3.81Å; L8-P172 HydrophobicContact CD1-CB 3.97Å; L8-P172 HydrophobicContact CD1-CG 3.91Å; L8-P172 HydrophobicContact CD2-CB 4.27Å; L8-P172 HydrophobicContact CG-CB 3.88Å; L8-P172 HydrophobicContact CG-CG 3.92Å; F147-P172 HydrophobicContact CB-CB 4.08Å; F147-P172 HydrophobicContact CB-CG 4.49Å; F147-P172 WeakPolarHBondContact CB-O 3.22Å; L148-P172 PolarHBondContact N-O 3.07Å; P172-N203 WeakPolarHBondContact CA-OD1 3.43Å
173	V	98.9	Very high	98.2	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.7	-178	-179.3	0	0	0	0	110.3	L148 V163 L166 A202 N203 I204	L148-V173 WeakPolarHBondContact O-CA 3.31Å; V163-V173 HydrophobicContact CG1-CG1 4.29Å; V163-V173 HydrophobicContact CG2-CG1 4.26Å; L166-V173 HydrophobicContact CB-CG1 4.05Å; L166-V173 HydrophobicContact CB-CG2 3.83Å; L166-V173 HydrophobicContact CD2-CG1 3.94Å; V173-A202 CarbonylContact O-C 3.57Å; V173-N203 PolarHBondContact N-OD1 2.6Å; V173-N203 VanDerWaalsContact N-OD1 3.07Å; V173-N203 PolarHBondContact O-N 3.31Å; V173-I204 PolarHBondContact O-N 3.18Å
174	A	98.9	Very high	98.2	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	146.8	163.5	0	0	0	0	0	110.3	L148 I149 A150 I204 M237	L148-A174 PolarHBondContact O-N 3.31Å; I149-A174 CarbonylContact C-O 3.58Å; I149-A174 WeakPolarHBondContact CA-O 3.11Å; I149-A174 HydrophobicContact CG1-CB 4.11Å; I149-A174 HydrophobicContact CG2-CB 4.45Å; A150-A174 PolarHBondContact N-O 3.06Å; A174-I204 CarbonylContact C-O 3.59Å; A174-I204 VanDerWaalsContact CA-O 3.27Å; A174-I204 WeakPolarHBondContact CA-O 3.37Å; A174-I204 HydrophobicContact CB-CB 3.78Å; A174-I204 HydrophobicContact CB-CD1 4.18Å; A174-I204 HydrophobicContact CB-CG1 4.41Å; A174-I204 HydrophobicContact CB-CG2 4.34Å; A174-M237 HydrophobicContact CB-SD 4.06Å
175	A	98.9	Very high	97.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	120.9	175.3	0	0	0	0	0	110.9	A150 V163 L197 A202 I204 V205 G206	A150-A175 HydrophobicContact CB-CB 4.47Å; A150-A175 CarbonylContact O-C 3.49Å; A150-A175 VanDerWaalsContact O-CA 3.3Å; A150-A175 WeakPolarHBondContact O-CA 3.3Å; V163-A175 HydrophobicContact CG2-CB 3.69Å; A175-L197 HydrophobicContact CB-CB 4.34Å; A175-L197 HydrophobicContact CB-CD1 3.97Å; A175-L197 HydrophobicContact CB-CD2 4.04Å; A175-L197 HydrophobicContact CB-CG 4.34Å; A175-A202 HydrophobicContact CB-CB 3.83Å; A175-I204 PolarHBondContact N-O 2.67Å; A175-V205 CarbonylContact O-C 3.56Å; A175-V205 VanDerWaalsContact O-CA 3.25Å; A175-V205 WeakPolarHBondContact O-CA 3.41Å; A175-G206 PolarHBondContact O-N 2.75Å
176	T	98.9	Very high	97.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.9	176.1	59	0	0	0	0	111.2	A150 E151 Y152 G206 N208 M237	A150-T176 PolarHBondContact O-N 2.95Å; E151-T176 WeakPolarHBondContact CA-O 3.42Å; E151-T176 WeakPolarHBondContact CB-OG1 3.24Å; Y152-T176 PolarHBondContact N-O 3.22Å; T176-G206 VanDerWaalsContact CA-O 3.27Å; T176-G206 WeakPolarHBondContact CA-O 3.23Å; T176-N208 WeakPolarHBondContact CB-OD1 2.91Å; T176-N208 PolarHBondContact O-OD1 2.96Å; T176-N208 VanDerWaalsContact OG1-CG 3.23Å; T176-N208 PolarHBondContact OG1-OD1 3.27Å; T176-M237 HydrophobicContact CG2-CB 4.14Å; T176-M237 HydrophobicContact CG2-CE 3.92Å; T176-M237 HydrophobicContact CG2-CG 3.73Å; T176-M237 HydrophobicContact CG2-SD 3.66Å
177	L	98.9	Very high	97.6	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	152.4	177.5	-56.2	-176.9	0	0	0	110.1	F153 V156 A159 I179 C193 L197 G206 I207 N208 M223	F153-L177 HydrophobicContact CB-CD2 3.61Å; F153-L177 WeakPolarHBondContact O-CA 3.12Å; F153-L177 WeakPolarHBondContact O-CB 3.43Å; V156-L177 HydrophobicContact CB-CD1 4.26Å; V156-L177 HydrophobicContact CG2-CD1 4.34Å; A159-L177 HydrophobicContact CB-CD2 3.58Å; L177-I179 VanDerWaalsContact C-N 3.34Å; L177-I179 HydrophobicContact CB-CD1 4.17Å; L177-I179 HydrophobicContact CB-CG1 3.82Å; L177-I179 HydrophobicContact CB-CG2 4.23Å; L177-I179 HydrophobicContact CD1-CD1 3.68Å; L177-I179 HydrophobicContact CD1-CG1 4.29Å; L177-I179 PolarHBondContact O-N 2.96Å; L177-C193 HydrophobicContact CD1-CB 3.66Å; L177-L197 HydrophobicContact CD1-CD1 4.16Å; L177-L197 HydrophobicContact CD2-CD1 4.16Å; L177-L197 HydrophobicContact CG-CD1 4.02Å; L177-G206 PolarHBondContact N-O 3.18Å; L177-G206 VanDerWaalsContact N-O 3.1Å; L177-I207 HydrophobicContact CB-CD1 4.08Å; L177-I207 VanDerWaalsContact O-CA 3.26Å; L177-I207 WeakPolarHBondContact O-CA 3.28Å; L177-I207 WeakPolarHBondContact O-CD1 3.44Å; L177-I207 WeakPolarHBondContact O-CG2 3.41Å; L177-N208 PolarHBondContact O-N 3.11Å; L177-M223 HydrophobicContact CB-CE 4.49Å; L177-M223 HydrophobicContact CD1-CE 4.04Å; L177-M223 HydrophobicContact CG-CE 4.36Å
178	C	98.3	Very high	97.7	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.014	21%	0.206	C	C	.	.			trans	-99.4	56.7	172.4	56.9	0	0	0	0	110.7	Y152 F153 E154 N208 C209 H210	Y152-C178 HydrophobicContact CD2-CB 4.12Å; F153-C178 VanDerWaalsContact C-SG 3.55Å; F153-C178 PolarHBondContact O-N 3.28Å; E154-C178 VanDerWaalsContact CG-SG 3.51Å; C178-N208 WeakPolarHBondContact CA-O 3.28Å; C178-N208 VanDerWaalsContact CB-O 3.23Å; C178-N208 WeakPolarHBondContact CB-O 3.3Å; C178-C209 HydrophobicContact CB-CB 4.2Å; C178-H210 HydrophobicContact CB-CB 4.09Å; C178-H210 PolarHBondContact O-ND1 2.98Å
179	I	98.5	Very high	97.7	Very high	4 Å²	4	29 Å²	29	2%	0.021	19%	0.192	C	C	.	.			trans	-123.8	153.6	-175.9	69.4	172.1	0	0	0	111.2	L177 D184 C193 I207 M223	L177-I179 VanDerWaalsContact C-N 3.34Å; L177-I179 HydrophobicContact CB-CD1 4.17Å; L177-I179 HydrophobicContact CB-CG1 3.82Å; L177-I179 HydrophobicContact CB-CG2 4.23Å; L177-I179 HydrophobicContact CD1-CD1 3.68Å; L177-I179 HydrophobicContact CD1-CG1 4.29Å; L177-I179 PolarHBondContact O-N 2.96Å; I179-D184 HydrophobicContact CD1-CB 4.19Å; I179-D184 HydrophobicContact CG2-CB 4.19Å; I179-C193 HydrophobicContact CD1-CB 4.46Å; I179-I207 HydrophobicContact CG1-CD1 3.73Å; I179-M223 HydrophobicContact CD1-CE 4.48Å
180	G	98.2	Very high	97.8	Very high	3 Å²	3	27.5 Å²	27.5	3%	0.031	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-91.9	-172	176.7	0	0	0	0	0	113.3	E182 G183 T219	G180-E182 PolarHBondContact O-N 2.98Å; G180-E182 VanDerWaalsContact O-N 3.14Å; G180-G183 PolarHBondContact O-N 3.06Å; G180-G183 VanDerWaalsContact O-N 3.13Å; G180-T219 VanDerWaalsContact C-OG1 3.32Å
181	P	98.3	Very high	97.9	Very high	40 Å²	40	26.7 Å²	26.7	26%	0.26	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.5	176.1	-25.4	35.5	0	0	0	114.3	G183 T215 K218 T219 L222	P181-G183 PolarHBondContact O-N 3.22Å; P181-T215 HydrophobicContact CG-CG2 4.24Å; P181-K218 HydrophobicContact CG-CD 3.97Å; P181-K218 HydrophobicContact CG-CG 4.24Å; P181-T219 VanDerWaalsContact CD-OG1 3.22Å; P181-T219 WeakPolarHBondContact CD-OG1 3.37Å; P181-T219 WeakPolarHBondContact CG-OG1 3.33Å; P181-T219 VanDerWaalsContact N-OG1 3.17Å; P181-L222 HydrophobicContact CB-CD1 3.9Å
182	E	97.6	Very high	97.9	Very high	139 Å²	139	29.4 Å²	29.4	65%	0.65	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-16.5	177.6	-67.1	-178.9	-120.5	0	0	113.2	G180 R250	G180-E182 PolarHBondContact O-N 2.98Å; G180-E182 VanDerWaalsContact O-N 3.14Å; E182-R250 HydrophobicContact CB-CB 4.42Å
183	G	97.7	Very high	97.9	Very high	5 Å²	5	28 Å²	28	5%	0.052	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	99.8	-172.1	-177.5	0	0	0	0	0	113.4	G180 P181 V188	G180-G183 PolarHBondContact O-N 3.06Å; G180-G183 VanDerWaalsContact O-N 3.13Å; P181-G183 PolarHBondContact O-N 3.22Å; G183-V188 CarbonylContact C-O 3.51Å; G183-V188 WeakPolarHBondContact CA-O 3.39Å
184	D	97.5	Very high	97.9	Very high	2 Å²	2	28 Å²	28	1%	0.011	16%	0.163	C	C	.	.			trans	-74.5	173.3	-179.1	94.3	-22.2	0	0	0	112.2	E154 V156 I179 N186 G187 V188	E154-D184 WeakPolarHBondContact O-CB 3.35Å; V156-D184 PolarHBondContact N-OD2 3.43Å; I179-D184 HydrophobicContact CD1-CB 4.19Å; I179-D184 HydrophobicContact CG2-CB 4.19Å; D184-N186 PolarHBondContact O-N 3.49Å; D184-N186 VanDerWaalsContact O-N 3.15Å; D184-N186 WeakPolarHBondContact OD1-CA 3.39Å; D184-N186 WeakPolarHBondContact OD1-CB 3.16Å; D184-N186 PolarHBondContact OD1-N 2.94Å; D184-G187 PolarHBondContact O-N 3.25Å; D184-G187 PolarHBondContact OD1-N 3.32Å; D184-V188 PolarHBondContact N-O 3.09Å; D184-V188 WeakPolarHBondContact OD1-CB 3.36Å; D184-V188 WeakPolarHBondContact OD1-CG2 3.32Å; D184-V188 PolarHBondContact OD1-N 3.03Å
185	L	93.6	Very high	97.9	Very high	20 Å²	20	28.9 Å²	28.9	11%	0.105	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-13.3	-176.4	-67.2	-175.6	0	0	0	114.3	E154 R250	E154-L185 HydrophobicContact CB-CD1 3.68Å; E154-L185 HydrophobicContact CB-CG 4Å; E154-L185 HydrophobicContact CG-CD1 4.23Å; E154-L185 PolarHBondContact O-N 3.12Å; L185-R250 PolarHBondContact O-NH1 3.41Å
186	N	94.1	Very high	97.9	Very high	88 Å²	88	31.7 Å²	31.7	47%	0.471	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	1.2	171.7	-70.5	-25.9	0	0	0	113	D184 V188	D184-N186 PolarHBondContact O-N 3.49Å; D184-N186 VanDerWaalsContact O-N 3.15Å; D184-N186 WeakPolarHBondContact OD1-CA 3.39Å; D184-N186 WeakPolarHBondContact OD1-CB 3.16Å; D184-N186 PolarHBondContact OD1-N 2.94Å; N186-V188 HydrophobicContact CB-CG2 4.38Å
187	G	95.7	Very high	97.9	Very high	59 Å²	59	31.7 Å²	31.7	61%	0.608	18%	0.18	S	C	*	.			trans	81.9	15.7	-178.9	0	0	0	0	0	114.2	D184 S189	D184-G187 PolarHBondContact O-N 3.25Å; D184-G187 PolarHBondContact OD1-N 3.32Å; G187-S189 PolarHBondContact O-N 3.32Å
188	V	98.4	Very high	97.9	Very high	25 Å²	25	32.6 Å²	32.6	15%	0.152	19%	0.186	C	C	.	.			trans	-77.1	121.5	174	-173.2	0	0	0	0	108.9	V156 G183 D184 N186 E192 C193 K196	V156-V188 HydrophobicContact CG1-CB 4.2Å; V156-V188 HydrophobicContact CG1-CG1 4.09Å; V156-V188 HydrophobicContact CG1-CG2 4.27Å; G183-V188 CarbonylContact C-O 3.51Å; G183-V188 WeakPolarHBondContact CA-O 3.39Å; D184-V188 PolarHBondContact N-O 3.09Å; D184-V188 WeakPolarHBondContact OD1-CB 3.36Å; D184-V188 WeakPolarHBondContact OD1-CG2 3.32Å; D184-V188 PolarHBondContact OD1-N 3.03Å; N186-V188 HydrophobicContact CB-CG2 4.38Å; V188-E192 HydrophobicContact CG1-CB 3.75Å; V188-E192 HydrophobicContact CG1-CG 3.77Å; V188-C193 VanDerWaalsContact CG1-SG 3.59Å; V188-C193 PolarHBondContact O-SG 3.4Å; V188-K196 HydrophobicContact CG1-CD 4.39Å
189	S	98.8	Very high	97.9	Very high	45 Å²	45	39.6 Å²	39.6	32%	0.315	22%	0.216	S	C	.	.			trans	-60.4	152.1	-178.2	67.7	0	0	0	0	112.7	G187 Q191 E192 C193	G187-S189 PolarHBondContact O-N 3.32Å; S189-Q191 PolarHBondContact O-N 2.77Å; S189-E192 PolarHBondContact O-N 3.1Å; S189-E192 PolarHBondContact OG-N 2.81Å; S189-C193 PolarHBondContact O-N 3.46Å; S189-C193 PolarHBondContact O-SG 3.02Å
190	P	98.8	Very high	97.9	Very high	2 Å²	2	40 Å²	40	1%	0.013	22%	0.22	C	C	.	.	H	α-helix	trans	-55.6	-36.4	176.4	-25.8	35.7	0	0	0	113.4	C193 A194 T219 L222 M223	P190-C193 PolarHBondContact O-N 3.23Å; P190-A194 PolarHBondContact O-N 3.42Å; P190-T219 HydrophobicContact CB-CG2 3.8Å; P190-T219 HydrophobicContact CG-CG2 3.87Å; P190-L222 HydrophobicContact CB-CB 4.08Å; P190-L222 HydrophobicContact CG-CD1 4.27Å; P190-M223 HydrophobicContact CB-CG 3.99Å; P190-M223 WeakPolarHBondContact O-CG 3.34Å
191	Q	98.8	Very high	98	Very high	55 Å²	55	40.4 Å²	40.4	26%	0.257	23%	0.225	S	C	.	.	H	α-helix	trans	-54.6	-53.8	174.1	-71.2	76.6	-6.5	0	0	111.2	S189 A194 V195 L222	S189-Q191 PolarHBondContact O-N 2.77Å; Q191-A194 PolarHBondContact O-N 2.98Å; Q191-V195 WeakPolarHBondContact O-CG2 3.45Å; Q191-V195 PolarHBondContact O-N 3.35Å; Q191-L222 VanDerWaalsContact CG-O 3.29Å; Q191-L222 WeakPolarHBondContact CG-O 3.38Å
192	E	98.8	Very high	98	Very high	97 Å²	97	38.7 Å²	38.7	45%	0.453	21%	0.214	S	C	.	.	H	α-helix	trans	-69.2	-39.3	-177.5	-174.2	179.8	163.3	0	0	111.1	V188 S189 A194 V195 K196	V188-E192 HydrophobicContact CG1-CB 3.75Å; V188-E192 HydrophobicContact CG1-CG 3.77Å; S189-E192 PolarHBondContact O-N 3.1Å; S189-E192 PolarHBondContact OG-N 2.81Å; E192-A194 VanDerWaalsContact C-N 3.34Å; E192-A194 PolarHBondContact O-N 2.91Å; E192-V195 PolarHBondContact O-N 3.05Å; E192-K196 HydrophobicContact CG-CD 4.09Å; E192-K196 HydrophobicContact CG-CG 4.48Å; E192-K196 WeakPolarHBondContact O-CB 3.38Å; E192-K196 WeakPolarHBondContact O-CG 3.27Å; E192-K196 PolarHBondContact O-N 2.97Å; E192-K196 WeakPolarHBondContact OE1-CE 3.4Å
193	C	98.9	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-55.2	-49.1	175.3	-70.7	0	0	0	0	111.8	V156 L177 I179 V188 S189 P190 V195 K196 L197 M223	V156-C193 HydrophobicContact CB-CB 4.18Å; V156-C193 HydrophobicContact CG2-CB 4.03Å; L177-C193 HydrophobicContact CD1-CB 3.66Å; I179-C193 HydrophobicContact CD1-CB 4.46Å; V188-C193 VanDerWaalsContact CG1-SG 3.59Å; V188-C193 PolarHBondContact O-SG 3.4Å; S189-C193 PolarHBondContact O-N 3.46Å; S189-C193 PolarHBondContact O-SG 3.02Å; P190-C193 PolarHBondContact O-N 3.23Å; C193-V195 PolarHBondContact O-N 3.32Å; C193-K196 WeakPolarHBondContact O-CB 3.41Å; C193-K196 PolarHBondContact O-N 2.73Å; C193-L197 VanDerWaalsContact O-CG 3.31Å; C193-L197 WeakPolarHBondContact O-CG 3.38Å; C193-L197 PolarHBondContact O-N 3.39Å; C193-M223 HydrophobicContact CB-CE 4.46Å
194	A	98.9	Very high	98.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-42.2	179	0	0	0	0	0	112.4	P190 Q191 E192 K196 L197 V198 V205 M223 V227	P190-A194 PolarHBondContact O-N 3.42Å; Q191-A194 PolarHBondContact O-N 2.98Å; E192-A194 VanDerWaalsContact C-N 3.34Å; E192-A194 PolarHBondContact O-N 2.91Å; A194-K196 VanDerWaalsContact C-N 3.32Å; A194-K196 PolarHBondContact O-N 3.07Å; A194-L197 PolarHBondContact O-N 3.2Å; A194-V198 VanDerWaalsContact O-CG2 3.32Å; A194-V198 WeakPolarHBondContact O-CG2 3.38Å; A194-V198 PolarHBondContact O-N 3.42Å; A194-V205 HydrophobicContact CB-CG2 4.36Å; A194-M223 HydrophobicContact CB-CB 3.6Å; A194-M223 HydrophobicContact CB-CG 3.83Å; A194-M223 HydrophobicContact CB-SD 4.39Å; A194-V227 HydrophobicContact CB-CG2 3.7Å
195	V	98.9	Very high	98.2	Very high	20 Å²	20	34.6 Å²	34.6	12%	0.121	20%	0.195	C	C	.	.	H	α-helix	trans	-59.7	-43.8	176.5	169.6	0	0	0	0	111.4	Q191 E192 C193 K199 G226 A230 L232	Q191-V195 WeakPolarHBondContact O-CG2 3.45Å; Q191-V195 PolarHBondContact O-N 3.35Å; E192-V195 PolarHBondContact O-N 3.05Å; C193-V195 PolarHBondContact O-N 3.32Å; V195-K199 HydrophobicContact CG1-CD 4.09Å; V195-K199 WeakPolarHBondContact O-CB 3.06Å; V195-K199 WeakPolarHBondContact O-CG 3.09Å; V195-K199 PolarHBondContact O-N 2.93Å; V195-G226 WeakPolarHBondContact CG2-O 3.32Å; V195-A230 HydrophobicContact CG1-CB 4.26Å; V195-A230 HydrophobicContact CG2-CB 3.77Å; V195-L232 HydrophobicContact CB-CD1 4.5Å; V195-L232 HydrophobicContact CG1-CD1 3.96Å
196	K	98.9	Very high	98.4	Very high	58 Å²	58	33.7 Å²	33.7	25%	0.252	19%	0.19	S	C	.	.	H	α-helix	trans	-59.7	-49.6	176.2	-80.4	168.8	155.6	-72.3	0	111.9	V156 E160 V188 E192 C193 A194 V198 K199 A200	V156-K196 HydrophobicContact CG1-CD 3.85Å; V156-K196 HydrophobicContact CG2-CB 4.11Å; V156-K196 HydrophobicContact CG2-CD 4.31Å; E160-K196 HydrophobicContact CG-CB 4.04Å; E160-K196 IonicContact OE1-NZ 2.77Å; E160-K196 WeakPolarHBondContact OE2-CD 3.22Å; E160-K196 IonicContact OE2-NZ 3.79Å; E160-K196 PolarHBondContact OE2-NZ 2.72Å; V188-K196 HydrophobicContact CG1-CD 4.39Å; E192-K196 HydrophobicContact CG-CD 4.09Å; E192-K196 HydrophobicContact CG-CG 4.48Å; E192-K196 WeakPolarHBondContact O-CB 3.38Å; E192-K196 WeakPolarHBondContact O-CG 3.27Å; E192-K196 PolarHBondContact O-N 2.97Å; E192-K196 WeakPolarHBondContact OE1-CE 3.4Å; C193-K196 WeakPolarHBondContact O-CB 3.41Å; C193-K196 PolarHBondContact O-N 2.73Å; A194-K196 VanDerWaalsContact C-N 3.32Å; A194-K196 PolarHBondContact O-N 3.07Å; K196-V198 PolarHBondContact O-N 2.97Å; K196-K199 PolarHBondContact O-N 3.32Å; K196-A200 WeakPolarHBondContact O-CB 3.43Å; K196-A200 PolarHBondContact O-N 2.74Å
197	L	98.9	Very high	98.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.8	-43.5	179.1	-66.7	172.9	0	0	0	112.7	V156 A159 V163 A175 L177 C193 A194 A200 G201 A202 V205	V156-L197 HydrophobicContact CG2-CD2 4.11Å; V156-L197 HydrophobicContact CG2-CG 4.03Å; A159-L197 HydrophobicContact CB-CD2 3.71Å; V163-L197 HydrophobicContact CG2-CD2 4.09Å; A175-L197 HydrophobicContact CB-CB 4.34Å; A175-L197 HydrophobicContact CB-CD1 3.97Å; A175-L197 HydrophobicContact CB-CD2 4.04Å; A175-L197 HydrophobicContact CB-CG 4.34Å; L177-L197 HydrophobicContact CD1-CD1 4.16Å; L177-L197 HydrophobicContact CD2-CD1 4.16Å; L177-L197 HydrophobicContact CG-CD1 4.02Å; C193-L197 VanDerWaalsContact O-CG 3.31Å; C193-L197 WeakPolarHBondContact O-CG 3.38Å; C193-L197 PolarHBondContact O-N 3.39Å; A194-L197 PolarHBondContact O-N 3.2Å; L197-A200 PolarHBondContact O-N 2.95Å; L197-G201 PolarHBondContact O-N 3.16Å; L197-G201 VanDerWaalsContact O-N 3.07Å; L197-A202 HydrophobicContact CB-CB 4.37Å; L197-A202 WeakPolarHBondContact O-CB 3.24Å; L197-A202 PolarHBondContact O-N 3.38Å; L197-V205 HydrophobicContact CB-CG1 3.9Å
198	V	98.9	Very high	98.8	Very high	21 Å²	21	26.7 Å²	26.7	13%	0.127	14%	0.139	C	C	.	.	H	α-helix	trans	-63.8	-43	176.6	176.6	0	0	0	0	111	A194 K196 A200 G201 V205 V227 L232 A234	A194-V198 VanDerWaalsContact O-CG2 3.32Å; A194-V198 WeakPolarHBondContact O-CG2 3.38Å; A194-V198 PolarHBondContact O-N 3.42Å; K196-V198 PolarHBondContact O-N 2.97Å; V198-A200 VanDerWaalsContact C-N 3.34Å; V198-A200 PolarHBondContact O-N 3Å; V198-G201 WeakPolarHBondContact O-CA 3.34Å; V198-G201 PolarHBondContact O-N 3.35Å; V198-V205 HydrophobicContact CG2-CG1 3.69Å; V198-V205 HydrophobicContact CG2-CG2 4.19Å; V198-V227 HydrophobicContact CG2-CG2 4.09Å; V198-L232 HydrophobicContact CB-CD1 4.29Å; V198-L232 HydrophobicContact CG1-CB 4.17Å; V198-L232 HydrophobicContact CG1-CD1 4.14Å; V198-A234 HydrophobicContact CG2-CB 3.62Å
199	K	98.8	Very high	98.8	Very high	149 Å²	149	25.7 Å²	25.7	65%	0.648	13%	0.133	S	C	*	.	H	α-helix	trans	-64.1	-37.4	175.9	-76.3	178.8	176.6	179.4	0	112.6	V195 K196 G201 L232	V195-K199 HydrophobicContact CG1-CD 4.09Å; V195-K199 WeakPolarHBondContact O-CB 3.06Å; V195-K199 WeakPolarHBondContact O-CG 3.09Å; V195-K199 PolarHBondContact O-N 2.93Å; K196-K199 PolarHBondContact O-N 3.32Å; K199-G201 PolarHBondContact O-N 3.34Å; K199-L232 HydrophobicContact CG-CD1 4.07Å
200	A	98.6	Very high	98.7	Very high	12 Å²	12	23.6 Å²	23.6	10%	0.099	12%	0.118	C	C	.	.	H	α-helix	trans	-62.8	-29.8	173.2	0	0	0	0	0	111.5	E160 V163 Q164 K196 L197 V198	E160-A200 HydrophobicContact CB-CB 4.47Å; E160-A200 HydrophobicContact CG-CB 4.47Å; V163-A200 HydrophobicContact CB-CB 4.04Å; V163-A200 HydrophobicContact CG1-CB 3.68Å; Q164-A200 HydrophobicContact CG-CB 4.34Å; K196-A200 WeakPolarHBondContact O-CB 3.43Å; K196-A200 PolarHBondContact O-N 2.74Å; L197-A200 PolarHBondContact O-N 2.95Å; V198-A200 VanDerWaalsContact C-N 3.34Å; V198-A200 PolarHBondContact O-N 3Å
201	G	98.6	Very high	98.7	Very high	12 Å²	12	23.9 Å²	23.9	12%	0.124	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	127.7	16.2	169.2	0	0	0	0	0	115.1	L197 V198 K199	L197-G201 PolarHBondContact O-N 3.16Å; L197-G201 VanDerWaalsContact O-N 3.07Å; V198-G201 WeakPolarHBondContact O-CA 3.34Å; V198-G201 PolarHBondContact O-N 3.35Å; K199-G201 PolarHBondContact O-N 3.34Å
202	A	98.8	Very high	98.7	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.033	11%	0.11	C	C	.	.			trans	-66.9	131.1	172	0	0	0	0	0	110.4	V163 V173 A175 L197 V205	V163-A202 HydrophobicContact CG1-CB 4.18Å; V163-A202 HydrophobicContact CG2-CB 4.32Å; V173-A202 CarbonylContact O-C 3.57Å; A175-A202 HydrophobicContact CB-CB 3.83Å; L197-A202 HydrophobicContact CB-CB 4.37Å; L197-A202 WeakPolarHBondContact O-CB 3.24Å; L197-A202 PolarHBondContact O-N 3.38Å; A202-V205 HydrophobicContact CB-CG1 3.84Å
203	N	98.8	Very high	98.7	Very high	60 Å²	60	17.8 Å²	17.8	32%	0.321	9%	0.092	S	C	.	.	S	Bend	trans	-85	-27.9	174.2	-54.9	105.1	0	0	0	111.9	L8 P172 V173 H235	L8-N203 HydrophobicContact CD1-CB 4.36Å; L8-N203 HydrophobicContact CD2-CB 3.66Å; P172-N203 WeakPolarHBondContact CA-OD1 3.43Å; V173-N203 PolarHBondContact N-OD1 2.6Å; V173-N203 VanDerWaalsContact N-OD1 3.07Å; V173-N203 PolarHBondContact O-N 3.31Å; N203-H235 PolarHBondContact O-N 3Å
204	I	98.9	Very high	98.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.2	-178.4	-46.2	171.4	0	0	0	107.1	I7 L8 L11 V173 A174 A175 H235 M237	I7-I204 HydrophobicContact CD1-CD1 4.45Å; I7-I204 HydrophobicContact CG1-CD1 3.68Å; L8-I204 HydrophobicContact CD2-CG1 4.48Å; L11-I204 HydrophobicContact CD1-CD1 3.47Å; L11-I204 VanDerWaalsContact CD1-CD1 3.47Å; L11-I204 HydrophobicContact CD1-CG1 3.87Å; V173-I204 PolarHBondContact O-N 3.18Å; A174-I204 CarbonylContact C-O 3.59Å; A174-I204 VanDerWaalsContact CA-O 3.27Å; A174-I204 WeakPolarHBondContact CA-O 3.37Å; A174-I204 HydrophobicContact CB-CB 3.78Å; A174-I204 HydrophobicContact CB-CD1 4.18Å; A174-I204 HydrophobicContact CB-CG1 4.41Å; A174-I204 HydrophobicContact CB-CG2 4.34Å; A175-I204 PolarHBondContact N-O 2.67Å; I204-H235 CarbonylContact C-O 3.53Å; I204-H235 WeakPolarHBondContact CA-O 3.32Å; I204-H235 HydrophobicContact CB-CB 4.4Å; I204-H235 HydrophobicContact CG1-CB 4.11Å; I204-H235 HydrophobicContact CG2-CB 4.17Å; I204-M237 HydrophobicContact CG2-CB 3.7Å; I204-M237 HydrophobicContact CG2-SD 4.25Å
205	V	98.9	Very high	98.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150.2	178.8	-64.3	0	0	0	0	111.9	A175 A194 L197 V198 A202 A234 H235 Y236 M237	A175-V205 CarbonylContact O-C 3.56Å; A175-V205 VanDerWaalsContact O-CA 3.25Å; A175-V205 WeakPolarHBondContact O-CA 3.41Å; A194-V205 HydrophobicContact CB-CG2 4.36Å; L197-V205 HydrophobicContact CB-CG1 3.9Å; V198-V205 HydrophobicContact CG2-CG1 3.69Å; V198-V205 HydrophobicContact CG2-CG2 4.19Å; A202-V205 HydrophobicContact CB-CG1 3.84Å; V205-A234 HydrophobicContact CG2-CB 3.98Å; V205-H235 PolarHBondContact N-O 3.42Å; V205-Y236 HydrophobicContact CG2-CD1 4.09Å; V205-Y236 HydrophobicContact CG2-CE1 4.05Å; V205-Y236 VanDerWaalsContact O-CA 3.32Å; V205-Y236 WeakPolarHBondContact O-CA 3.49Å; V205-M237 PolarHBondContact O-N 3.07Å
206	G	98.9	Very high	98.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.5	-158.5	-176.4	0	0	0	0	0	116.2	A175 T176 L177 M237	A175-G206 PolarHBondContact O-N 2.75Å; T176-G206 VanDerWaalsContact CA-O 3.27Å; T176-G206 WeakPolarHBondContact CA-O 3.23Å; L177-G206 PolarHBondContact N-O 3.18Å; L177-G206 VanDerWaalsContact N-O 3.1Å; G206-M237 WeakPolarHBondContact CA-O 3.36Å
207	I	98.8	Very high	98.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.2	-179.7	-62.4	-64.7	0	0	0	110.5	L177 I179 C216 T219 V220 M223 M237 S238 Q239	L177-I207 HydrophobicContact CB-CD1 4.08Å; L177-I207 VanDerWaalsContact O-CA 3.26Å; L177-I207 WeakPolarHBondContact O-CA 3.28Å; L177-I207 WeakPolarHBondContact O-CD1 3.44Å; L177-I207 WeakPolarHBondContact O-CG2 3.41Å; I179-I207 HydrophobicContact CG1-CD1 3.73Å; I207-C216 HydrophobicContact CB-CB 4.47Å; I207-C216 HydrophobicContact CG2-CB 4.04Å; I207-C216 VanDerWaalsContact CG2-SG 3.56Å; I207-T219 HydrophobicContact CD1-CG2 3.61Å; I207-T219 HydrophobicContact CG1-CG2 3.59Å; I207-V220 HydrophobicContact CB-CG2 4.01Å; I207-V220 HydrophobicContact CG1-CG2 3.88Å; I207-M223 HydrophobicContact CD1-CE 3.36Å; I207-M223 HydrophobicContact CD1-SD 3.88Å; I207-M223 HydrophobicContact CG1-CE 4.1Å; I207-M223 HydrophobicContact CG1-SD 3.93Å; I207-M237 PolarHBondContact N-O 3.38Å; I207-S238 WeakPolarHBondContact O-CA 3.45Å; I207-Q239 PolarHBondContact O-N 3.36Å
208	N	98.8	Very high	98.7	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	157.8	171.5	78.8	-66.5	0	0	0	112.5	Y152 T176 L177 C178 Q239	Y152-N208 PolarHBondContact N-ND2 3.14Å; Y152-N208 PolarHBondContact N-OD1 3.33Å; T176-N208 WeakPolarHBondContact CB-OD1 2.91Å; T176-N208 PolarHBondContact O-OD1 2.96Å; T176-N208 VanDerWaalsContact OG1-CG 3.23Å; T176-N208 PolarHBondContact OG1-OD1 3.27Å; L177-N208 PolarHBondContact O-N 3.11Å; C178-N208 WeakPolarHBondContact CA-O 3.28Å; C178-N208 VanDerWaalsContact CB-O 3.23Å; C178-N208 WeakPolarHBondContact CB-O 3.3Å; N208-Q239 CarbonylContact C-O 3.48Å; N208-Q239 WeakPolarHBondContact CA-O 3.45Å; N208-Q239 HydrophobicContact CB-CB 3.9Å
209	C	97.7	Very high	98.7	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.02	13%	0.134	C	C	.	.	S	Bend	trans	60.5	-168.2	174.7	-152.7	0	0	0	0	113.6	Y152 C178 F211 Q239 C291	Y152-C209 HydrophobicContact CD2-CB 3.87Å; Y152-C209 HydrophobicContact CE2-CB 4.27Å; C178-C209 HydrophobicContact CB-CB 4.2Å; C209-F211 PolarHBondContact O-N 3.47Å; C209-Q239 PolarHBondContact N-O 3.06Å; C209-C291 HydrophobicContact CB-CB 4.3Å; C209-C291 VanDerWaalsContact CB-SG 3.54Å; C209-C291 VanDerWaalsContact SG-SG 3.68Å
210	H	97.6	Very high	98.7	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.104	C	C	.	.	S	Bend	trans	52.4	-30.2	172.2	-78.1	-169.1	0	0	0	119.4	Y152 E154 C178 L241 Q251 G252 F253 I254	Y152-H210 AromaticContact CE2-CD2 3.69Å; Y152-H210 AromaticContact CE2-NE2 3.26Å; Y152-H210 VanDerWaalsContact CE2-NE2 3.26Å; Y152-H210 WeakPolarHBondContact CE2-NE2 3.3Å; Y152-H210 AromaticContact CZ-NE2 3.48Å; Y152-H210 PolarHBondContact OH-NE2 2.9Å; Y152-H210 VanDerWaalsContact OH-NE2 3.16Å; E154-H210 IonicContact OE1-CE1 3.35Å; C178-H210 HydrophobicContact CB-CB 4.09Å; C178-H210 PolarHBondContact O-ND1 2.98Å; H210-L241 WeakPolarHBondContact O-CD1 3.49Å; H210-Q251 PolarHBondContact ND1-O 3.09Å; H210-G252 CarbonylContact O-C 3.58Å; H210-G252 VanDerWaalsContact O-CA 3.27Å; H210-G252 WeakPolarHBondContact O-CA 3.42Å; H210-F253 AromaticContact CD2-CE1 3.9Å; H210-F253 PolarHBondContact O-N 2.89Å; H210-I254 VanDerWaalsContact NE2-CD1 3.35Å; H210-I254 WeakPolarHBondContact NE2-CD1 3.44Å
211	F	98.8	Very high	98.7	Very high	9 Å²	9	24.3 Å²	24.3	4%	0.039	12%	0.12	C	C	.	.	S	Bend	trans	-131.5	153.8	-174.4	-57.3	-84.5	0	0	0	111.1	C209 T215 C216 L241 C248 N249	C209-F211 PolarHBondContact O-N 3.47Å; F211-T215 HydrophobicContact CB-CG2 3.72Å; F211-T215 HydrophobicContact CD1-CG2 3.73Å; F211-T215 HydrophobicContact CG-CG2 3.86Å; F211-C216 PolarHBondContact O-SG 3.04Å; F211-L241 WeakPolarHBondContact O-CB 3.37Å; F211-L241 WeakPolarHBondContact O-CG 3.38Å; F211-L241 PolarHBondContact O-N 3.03Å; F211-C248 HydrophobicContact CD1-CB 4.47Å; F211-C248 HydrophobicContact CE1-CB 4.47Å; F211-N249 WeakPolarHBondContact CE1-O 2.98Å
212	D	98.7	Very high	98.7	Very high	13 Å²	13	25.6 Å²	25.6	7%	0.07	12%	0.124	C	C	.	.			trans	-66.2	168.9	174.7	66.5	27.1	0	0	0	113.5	E214 T215 C216 F243 T245	D212-E214 PolarHBondContact O-N 3.02Å; D212-E214 PolarHBondContact OD1-N 3.41Å; D212-T215 PolarHBondContact O-N 3.11Å; D212-T215 VanDerWaalsContact OD1-CB 3.24Å; D212-T215 WeakPolarHBondContact OD1-CB 3.02Å; D212-T215 PolarHBondContact OD1-N 2.78Å; D212-T215 PolarHBondContact OD1-OG1 3.33Å; D212-C216 PolarHBondContact O-N 3.36Å; D212-C216 PolarHBondContact O-SG 3.32Å; D212-C216 VanDerWaalsContact O-SG 3.4Å; D212-F243 VanDerWaalsContact CB-O 3.29Å; D212-F243 WeakPolarHBondContact CB-O 3.42Å; D212-T245 WeakPolarHBondContact CB-OG1 3.21Å; D212-T245 PolarHBondContact N-OG1 3.23Å; D212-T245 VanDerWaalsContact N-OG1 3.08Å; D212-T245 PolarHBondContact OD2-N 2.92Å; D212-T245 PolarHBondContact OD2-OG1 2.99Å
213	P	98.8	Very high	98.7	Very high	11 Å²	11	25.4 Å²	25.4	7%	0.071	12%	0.122	C	C	.	.	H	α-helix	trans	-57.9	-40.6	-176.1	-28.2	35.7	0	0	0	115.6	C216 V217 P240 L268 M273 Y276	P213-C216 PolarHBondContact O-N 3.07Å; P213-V217 WeakPolarHBondContact O-CG2 3.34Å; P213-V217 PolarHBondContact O-N 3.29Å; P213-P240 HydrophobicContact CB-CB 4.2Å; P213-P240 HydrophobicContact CB-CG 3.93Å; P213-P240 HydrophobicContact CG-CB 4.04Å; P213-P240 HydrophobicContact CG-CG 3.8Å; P213-L268 HydrophobicContact CG-CD1 3.6Å; P213-M273 HydrophobicContact CG-CE 4.06Å; P213-Y276 HydrophobicContact CB-CD2 3.5Å; P213-Y276 VanDerWaalsContact CB-CD2 3.5Å; P213-Y276 HydrophobicContact CB-CE2 4.22Å; P213-Y276 HydrophobicContact CB-CG 3.69Å; P213-Y276 HydrophobicContact CG-CD2 4.49Å; P213-Y276 HydrophobicContact CG-CG 4.3Å
214	E	98.4	Very high	98.7	Very high	133 Å²	133	25.1 Å²	25.1	62%	0.621	12%	0.118	S	C	*	.	H	α-helix	trans	-63.4	-47.2	-178.4	-179.2	174.2	164.7	0	0	110.3	D212 V217 K218	D212-E214 PolarHBondContact O-N 3.02Å; D212-E214 PolarHBondContact OD1-N 3.41Å; E214-V217 PolarHBondContact O-N 3.29Å; E214-K218 WeakPolarHBondContact O-CB 2.96Å; E214-K218 PolarHBondContact O-N 3.36Å
215	T	98.8	Very high	98.7	Very high	33 Å²	33	30 Å²	30	20%	0.202	14%	0.141	C	C	.	.	H	α-helix	trans	-62.4	-45.8	178.8	-56.7	0	0	0	0	111	P181 F211 D212 K218 T219	P181-T215 HydrophobicContact CG-CG2 4.24Å; F211-T215 HydrophobicContact CB-CG2 3.72Å; F211-T215 HydrophobicContact CD1-CG2 3.73Å; F211-T215 HydrophobicContact CG-CG2 3.86Å; D212-T215 PolarHBondContact O-N 3.11Å; D212-T215 VanDerWaalsContact OD1-CB 3.24Å; D212-T215 WeakPolarHBondContact OD1-CB 3.02Å; D212-T215 PolarHBondContact OD1-N 2.78Å; D212-T215 PolarHBondContact OD1-OG1 3.33Å; T215-K218 WeakPolarHBondContact O-CB 3.27Å; T215-K218 PolarHBondContact O-N 3.36Å; T215-T219 PolarHBondContact O-N 3.41Å; T215-T219 PolarHBondContact O-OG1 3.3Å
216	C	98.8	Very high	98.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.9	-44.8	177.9	-68.6	0	0	0	0	112.8	I207 F211 D212 P213 K218 T219 V220 P240	I207-C216 HydrophobicContact CB-CB 4.47Å; I207-C216 HydrophobicContact CG2-CB 4.04Å; I207-C216 VanDerWaalsContact CG2-SG 3.56Å; F211-C216 PolarHBondContact O-SG 3.04Å; D212-C216 PolarHBondContact O-N 3.36Å; D212-C216 PolarHBondContact O-SG 3.32Å; D212-C216 VanDerWaalsContact O-SG 3.4Å; P213-C216 PolarHBondContact O-N 3.07Å; C216-K218 VanDerWaalsContact C-N 3.3Å; C216-K218 PolarHBondContact O-N 3.08Å; C216-T219 PolarHBondContact O-N 3.32Å; C216-V220 WeakPolarHBondContact O-CG2 3.45Å; C216-V220 PolarHBondContact O-N 3.45Å; C216-P240 HydrophobicContact CB-CB 3.94Å
217	V	98.9	Very high	98.7	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.03	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-40.5	178.2	171.2	0	0	0	0	110.7	P213 E214 V220 K221 Y276 A280 A283 I285	P213-V217 WeakPolarHBondContact O-CG2 3.34Å; P213-V217 PolarHBondContact O-N 3.29Å; E214-V217 PolarHBondContact O-N 3.29Å; V217-V220 PolarHBondContact O-N 2.79Å; V217-K221 WeakPolarHBondContact O-CG 3.39Å; V217-K221 PolarHBondContact O-N 3.04Å; V217-Y276 HydrophobicContact CG2-CD2 3.87Å; V217-Y276 HydrophobicContact CG2-CE2 3.75Å; V217-A280 HydrophobicContact CG2-CB 4.01Å; V217-A283 HydrophobicContact CG1-CB 4.13Å; V217-I285 HydrophobicContact CG2-CD1 4.38Å
218	K	98.8	Very high	98.7	Very high	123 Å²	123	35.8 Å²	35.8	54%	0.535	17%	0.171	S	C	.	.	H	α-helix	trans	-60	-47.4	174.5	-178.5	179.9	175.7	-175.7	0	111.4	P181 E214 T215 C216 V220 K221 L222	P181-K218 HydrophobicContact CG-CD 3.97Å; P181-K218 HydrophobicContact CG-CG 4.24Å; E214-K218 WeakPolarHBondContact O-CB 2.96Å; E214-K218 PolarHBondContact O-N 3.36Å; T215-K218 WeakPolarHBondContact O-CB 3.27Å; T215-K218 PolarHBondContact O-N 3.36Å; C216-K218 VanDerWaalsContact C-N 3.3Å; C216-K218 PolarHBondContact O-N 3.08Å; K218-V220 PolarHBondContact O-N 2.93Å; K218-K221 WeakPolarHBondContact O-CB 3.48Å; K218-K221 PolarHBondContact O-N 2.83Å; K218-L222 PolarHBondContact O-N 2.77Å
219	T	98.9	Very high	98.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-40.2	178.7	-53.7	0	0	0	0	112.1	G180 P181 P190 I207 T215 C216 K221 L222 M223	G180-T219 VanDerWaalsContact C-OG1 3.32Å; P181-T219 VanDerWaalsContact CD-OG1 3.22Å; P181-T219 WeakPolarHBondContact CD-OG1 3.37Å; P181-T219 WeakPolarHBondContact CG-OG1 3.33Å; P181-T219 VanDerWaalsContact N-OG1 3.17Å; P190-T219 HydrophobicContact CB-CG2 3.8Å; P190-T219 HydrophobicContact CG-CG2 3.87Å; I207-T219 HydrophobicContact CD1-CG2 3.61Å; I207-T219 HydrophobicContact CG1-CG2 3.59Å; T215-T219 PolarHBondContact O-N 3.41Å; T215-T219 PolarHBondContact O-OG1 3.3Å; C216-T219 PolarHBondContact O-N 3.32Å; T219-K221 VanDerWaalsContact C-N 3.31Å; T219-K221 PolarHBondContact O-N 3.49Å; T219-L222 WeakPolarHBondContact O-CB 3.45Å; T219-L222 PolarHBondContact O-N 3.42Å; T219-L222 VanDerWaalsContact O-N 3.14Å; T219-M223 WeakPolarHBondContact O-CG 3.34Å; T219-M223 PolarHBondContact O-N 2.64Å
220	V	98.9	Very high	98.7	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-32.8	177.1	176.1	0	0	0	0	111.9	I207 C216 V217 K218 M223 K224 Y236 M237 I285	I207-V220 HydrophobicContact CB-CG2 4.01Å; I207-V220 HydrophobicContact CG1-CG2 3.88Å; C216-V220 WeakPolarHBondContact O-CG2 3.45Å; C216-V220 PolarHBondContact O-N 3.45Å; V217-V220 PolarHBondContact O-N 2.79Å; K218-V220 PolarHBondContact O-N 2.93Å; V220-M223 WeakPolarHBondContact O-CB 3.1Å; V220-M223 PolarHBondContact O-N 3.06Å; V220-K224 WeakPolarHBondContact O-CB 3.25Å; V220-K224 PolarHBondContact O-N 3.38Å; V220-Y236 HydrophobicContact CG1-CD1 4.2Å; V220-Y236 HydrophobicContact CG1-CG 4.35Å; V220-M237 WeakPolarHBondContact CG2-O 3.42Å; V220-I285 HydrophobicContact CB-CD1 3.87Å; V220-I285 HydrophobicContact CG1-CD1 3.59Å; V220-I285 HydrophobicContact CG1-CG1 3.76Å; V220-I285 HydrophobicContact CG2-CD1 4.37Å
221	K	98.9	Very high	98.7	Very high	101 Å²	101	50.6 Å²	50.6	44%	0.439	26%	0.264	S	S	.	.	H	α-helix	trans	-61.2	-43.8	170.7	-72.6	173.7	-180	176.4	0	111.7	V217 K218 T219 K224 E225 A283	V217-K221 WeakPolarHBondContact O-CG 3.39Å; V217-K221 PolarHBondContact O-N 3.04Å; K218-K221 WeakPolarHBondContact O-CB 3.48Å; K218-K221 PolarHBondContact O-N 2.83Å; T219-K221 VanDerWaalsContact C-N 3.31Å; T219-K221 PolarHBondContact O-N 3.49Å; K221-K224 WeakPolarHBondContact O-CB 3.35Å; K221-K224 PolarHBondContact O-N 2.8Å; K221-E225 WeakPolarHBondContact O-CG 3.33Å; K221-E225 PolarHBondContact O-N 3.26Å; K221-A283 HydrophobicContact CD-CB 4.4Å; K221-A283 VanDerWaalsContact CE-CB 3.49Å; K221-A283 HydrophobicContact CG-CB 4.02Å
222	L	98.9	Very high	98.7	Very high	38 Å²	38	52.6 Å²	52.6	20%	0.199	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-44.8	174.7	-61.3	173.7	0	0	0	111.2	P181 P190 Q191 K218 T219 K224 E225 G226	P181-L222 HydrophobicContact CB-CD1 3.9Å; P190-L222 HydrophobicContact CB-CB 4.08Å; P190-L222 HydrophobicContact CG-CD1 4.27Å; Q191-L222 VanDerWaalsContact CG-O 3.29Å; Q191-L222 WeakPolarHBondContact CG-O 3.38Å; K218-L222 PolarHBondContact O-N 2.77Å; T219-L222 WeakPolarHBondContact O-CB 3.45Å; T219-L222 PolarHBondContact O-N 3.42Å; T219-L222 VanDerWaalsContact O-N 3.14Å; L222-K224 VanDerWaalsContact C-N 3.3Å; L222-K224 PolarHBondContact O-N 3.26Å; L222-E225 PolarHBondContact O-N 3.09Å; L222-G226 PolarHBondContact O-N 3.31Å; L222-G226 VanDerWaalsContact O-N 3.09Å
223	M	98.9	Very high	98.7	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-56	-45.4	174	-72.6	-173	154.8	0	0	112	L177 I179 P190 C193 A194 I207 T219 V220 G226 V227	L177-M223 HydrophobicContact CB-CE 4.49Å; L177-M223 HydrophobicContact CD1-CE 4.04Å; L177-M223 HydrophobicContact CG-CE 4.36Å; I179-M223 HydrophobicContact CD1-CE 4.48Å; P190-M223 HydrophobicContact CB-CG 3.99Å; P190-M223 WeakPolarHBondContact O-CG 3.34Å; C193-M223 HydrophobicContact CB-CE 4.46Å; A194-M223 HydrophobicContact CB-CB 3.6Å; A194-M223 HydrophobicContact CB-CG 3.83Å; A194-M223 HydrophobicContact CB-SD 4.39Å; I207-M223 HydrophobicContact CD1-CE 3.36Å; I207-M223 HydrophobicContact CD1-SD 3.88Å; I207-M223 HydrophobicContact CG1-CE 4.1Å; I207-M223 HydrophobicContact CG1-SD 3.93Å; T219-M223 WeakPolarHBondContact O-CG 3.34Å; T219-M223 PolarHBondContact O-N 2.64Å; V220-M223 WeakPolarHBondContact O-CB 3.1Å; V220-M223 PolarHBondContact O-N 3.06Å; M223-G226 PolarHBondContact O-N 2.91Å; M223-V227 WeakPolarHBondContact O-CG2 3.42Å; M223-V227 PolarHBondContact O-N 3.47Å
224	K	98.8	Very high	98.7	Very high	54 Å²	54	61.9 Å²	61.9	24%	0.235	32%	0.317	C	S	.	.	H	α-helix	trans	-59.9	-48.8	177.7	175.3	175.2	-178.4	-172.9	0	112.3	V220 K221 L222 G226 V227 E228 Y236 A283	V220-K224 WeakPolarHBondContact O-CB 3.25Å; V220-K224 PolarHBondContact O-N 3.38Å; K221-K224 WeakPolarHBondContact O-CB 3.35Å; K221-K224 PolarHBondContact O-N 2.8Å; L222-K224 VanDerWaalsContact C-N 3.3Å; L222-K224 PolarHBondContact O-N 3.26Å; K224-G226 VanDerWaalsContact C-N 3.26Å; K224-G226 PolarHBondContact O-N 3.47Å; K224-V227 PolarHBondContact O-N 2.93Å; K224-E228 WeakPolarHBondContact CE-OE1 3.27Å; K224-E228 HydrophobicContact CG-CG 4.31Å; K224-E228 WeakPolarHBondContact O-CB 3.46Å; K224-E228 WeakPolarHBondContact O-CG 3.47Å; K224-E228 PolarHBondContact O-N 3.32Å; K224-Y236 VanDerWaalsContact CA-CE1 3.48Å; K224-Y236 WeakPolarHBondContact CA-OH 3.13Å; K224-Y236 HydrophobicContact CB-CD1 4.19Å; K224-Y236 HydrophobicContact CB-CE1 3.64Å; K224-Y236 HydrophobicContact CB-CE2 4.08Å; K224-Y236 HydrophobicContact CD-CD2 4.27Å; K224-Y236 HydrophobicContact CD-CE2 3.91Å; K224-Y236 HydrophobicContact CG-CD2 4.43Å; K224-Y236 HydrophobicContact CG-CE1 4.16Å; K224-Y236 HydrophobicContact CG-CE2 3.7Å; K224-A283 PolarHBondContact NZ-O 3.24Å; K224-A283 VanDerWaalsContact NZ-O 3.09Å
225	E	98.8	Very high	98.7	Very high	102 Å²	102	57.5 Å²	57.5	48%	0.477	30%	0.296	S	S	.	.	H	α-helix	trans	-55.3	-42.5	175.8	-70.8	167.2	-169.5	0	0	112	K221 L222 K229	K221-E225 WeakPolarHBondContact O-CG 3.33Å; K221-E225 PolarHBondContact O-N 3.26Å; L222-E225 PolarHBondContact O-N 3.09Å; E225-K229 WeakPolarHBondContact O-CB 3.26Å; E225-K229 PolarHBondContact O-N 3.33Å
226	G	98.8	Very high	98.7	Very high	9 Å²	9	56.9 Å²	56.9	9%	0.093	29%	0.29	C	S	.	.	H	α-helix	trans	-62.1	-48.3	177.4	0	0	0	0	0	112.9	V195 L222 M223 K224 A230	V195-G226 WeakPolarHBondContact CG2-O 3.32Å; L222-G226 PolarHBondContact O-N 3.31Å; L222-G226 VanDerWaalsContact O-N 3.09Å; M223-G226 PolarHBondContact O-N 2.91Å; K224-G226 VanDerWaalsContact C-N 3.26Å; K224-G226 PolarHBondContact O-N 3.47Å; G226-A230 WeakPolarHBondContact O-CB 3.47Å; G226-A230 PolarHBondContact O-N 3.06Å; G226-A230 VanDerWaalsContact O-N 3.08Å
227	V	98.8	Very high	98.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-46	178.8	170.4	0	0	0	0	111.3	A194 V198 M223 K224 A230 G231 L232 A234 Y236	A194-V227 HydrophobicContact CB-CG2 3.7Å; V198-V227 HydrophobicContact CG2-CG2 4.09Å; M223-V227 WeakPolarHBondContact O-CG2 3.42Å; M223-V227 PolarHBondContact O-N 3.47Å; K224-V227 PolarHBondContact O-N 2.93Å; V227-A230 PolarHBondContact O-N 2.96Å; V227-G231 PolarHBondContact O-N 2.83Å; V227-L232 HydrophobicContact CG1-CB 3.86Å; V227-L232 PolarHBondContact O-N 2.98Å; V227-A234 HydrophobicContact CG1-CB 4.42Å; V227-Y236 WeakPolarHBondContact CG1-OH 3.33Å
228	E	98.4	Very high	98.7	Very high	114 Å²	114	56.6 Å²	56.6	53%	0.533	29%	0.289	S	S	.	.	H	α-helix	trans	-64	-45.7	179.4	-72.1	177.9	169.3	0	0	111.7	K224 A230 G231	K224-E228 WeakPolarHBondContact CE-OE1 3.27Å; K224-E228 HydrophobicContact CG-CG 4.31Å; K224-E228 WeakPolarHBondContact O-CB 3.46Å; K224-E228 WeakPolarHBondContact O-CG 3.47Å; K224-E228 PolarHBondContact O-N 3.32Å; E228-A230 PolarHBondContact O-N 3.11Å; E228-G231 PolarHBondContact O-N 3.01Å
229	K	98.6	Very high	98.7	Very high	197 Å²	197	51 Å²	51	86%	0.857	26%	0.264	S	S	*	.	H	α-helix	trans	-62.7	-30.2	177.2	-174.5	177.4	178.5	-177.9	0	112.5	E225 G231	E225-K229 WeakPolarHBondContact O-CB 3.26Å; E225-K229 PolarHBondContact O-N 3.33Å; K229-G231 PolarHBondContact O-N 3.4Å
230	A	98.6	Very high	98.7	Very high	50 Å²	50	51 Å²	51	41%	0.413	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-1.9	175.2	0	0	0	0	0	113.8	V195 G226 V227 E228 L232	V195-A230 HydrophobicContact CG1-CB 4.26Å; V195-A230 HydrophobicContact CG2-CB 3.77Å; G226-A230 WeakPolarHBondContact O-CB 3.47Å; G226-A230 PolarHBondContact O-N 3.06Å; G226-A230 VanDerWaalsContact O-N 3.08Å; V227-A230 PolarHBondContact O-N 2.96Å; E228-A230 PolarHBondContact O-N 3.11Å; A230-L232 HydrophobicContact CB-CD1 4.05Å; A230-L232 HydrophobicContact CB-CG 4.06Å; A230-L232 PolarHBondContact O-N 3.45Å
231	G	98.5	Very high	98.7	Very high	69 Å²	69	50.9 Å²	50.9	71%	0.711	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	20.4	-176.4	0	0	0	0	0	113.6	V227 E228 K229	V227-G231 PolarHBondContact O-N 2.83Å; E228-G231 PolarHBondContact O-N 3.01Å; K229-G231 PolarHBondContact O-N 3.4Å
232	L	98.6	Very high	98.7	Very high	51 Å²	51	46 Å²	46	27%	0.267	24%	0.243	S	C	.	.			trans	-94.3	165.3	179	-64	175.9	0	0	0	110.5	V195 V198 K199 V227 A230	V195-L232 HydrophobicContact CB-CD1 4.5Å; V195-L232 HydrophobicContact CG1-CD1 3.96Å; V198-L232 HydrophobicContact CB-CD1 4.29Å; V198-L232 HydrophobicContact CG1-CB 4.17Å; V198-L232 HydrophobicContact CG1-CD1 4.14Å; K199-L232 HydrophobicContact CG-CD1 4.07Å; V227-L232 HydrophobicContact CG1-CB 3.86Å; V227-L232 PolarHBondContact O-N 2.98Å; A230-L232 HydrophobicContact CB-CD1 4.05Å; A230-L232 HydrophobicContact CB-CG 4.06Å; A230-L232 PolarHBondContact O-N 3.45Å
233	K	97.6	Very high	98.7	Very high	199 Å²	199	44.4 Å²	44.4	87%	0.865	23%	0.234	S	C	*	.			trans	-128.4	136.9	174.6	-67.6	-174.9	178.1	-177.1	0	109.7
234	A	98.6	Very high	98.7	Very high	20 Å²	20	48.3 Å²	48.3	17%	0.165	25%	0.252	C	S	.	.			trans	-154.6	160.9	171.8	0	0	0	0	0	109.3	V198 V205 V227	V198-A234 HydrophobicContact CG2-CB 3.62Å; V205-A234 HydrophobicContact CG2-CB 3.98Å; V227-A234 HydrophobicContact CG1-CB 4.42Å
235	H	98.9	Very high	98.7	Very high	41 Å²	41	45.9 Å²	45.9	19%	0.19	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	156.7	164.7	-66.9	-63.6	0	0	0	110.1	L11 D12 N203 I204 V205	L11-H235 HydrophobicContact CD1-CB 3.93Å; D12-H235 IonicContact OD1-CD2 3.14Å; D12-H235 IonicContact OD1-CE1 3.95Å; D12-H235 PolarHBondContact OD1-CE1 3.41Å; D12-H235 IonicContact OD1-NE2 2.99Å; D12-H235 PolarHBondContact OD1-NE2 2.86Å; N203-H235 PolarHBondContact O-N 3Å; I204-H235 CarbonylContact C-O 3.53Å; I204-H235 WeakPolarHBondContact CA-O 3.32Å; I204-H235 HydrophobicContact CB-CB 4.4Å; I204-H235 HydrophobicContact CG1-CB 4.11Å; I204-H235 HydrophobicContact CG2-CB 4.17Å; V205-H235 PolarHBondContact N-O 3.42Å
236	Y	98.9	Very high	98.6	Very high	19 Å²	19	45.2 Å²	45.2	8%	0.075	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.9	-176.1	-59.7	-75	0	0	0	112.6	V205 V220 K224 V227 I285 R286 Y287	V205-Y236 HydrophobicContact CG2-CD1 4.09Å; V205-Y236 HydrophobicContact CG2-CE1 4.05Å; V205-Y236 VanDerWaalsContact O-CA 3.32Å; V205-Y236 WeakPolarHBondContact O-CA 3.49Å; V220-Y236 HydrophobicContact CG1-CD1 4.2Å; V220-Y236 HydrophobicContact CG1-CG 4.35Å; K224-Y236 VanDerWaalsContact CA-CE1 3.48Å; K224-Y236 WeakPolarHBondContact CA-OH 3.13Å; K224-Y236 HydrophobicContact CB-CD1 4.19Å; K224-Y236 HydrophobicContact CB-CE1 3.64Å; K224-Y236 HydrophobicContact CB-CE2 4.08Å; K224-Y236 HydrophobicContact CD-CD2 4.27Å; K224-Y236 HydrophobicContact CD-CE2 3.91Å; K224-Y236 HydrophobicContact CG-CD2 4.43Å; K224-Y236 HydrophobicContact CG-CE1 4.16Å; K224-Y236 HydrophobicContact CG-CE2 3.7Å; V227-Y236 WeakPolarHBondContact CG1-OH 3.33Å; Y236-I285 WeakPolarHBondContact O-CG2 3.31Å; Y236-R286 PolarHBondContact O-N 3.48Å; Y236-Y287 PolarHBondContact O-N 3.43Å; Y236-Y287 VanDerWaalsContact O-N 3.13Å
237	M	98.9	Very high	98.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.1	-173.9	179.2	166.5	170.9	0	0	112.4	I149 A174 T176 I204 V205 G206 I207 V220 Q239 Y287	I149-M237 HydrophobicContact CD1-CE 4.39Å; I149-M237 HydrophobicContact CG2-CE 4.5Å; A174-M237 HydrophobicContact CB-SD 4.06Å; T176-M237 HydrophobicContact CG2-CB 4.14Å; T176-M237 HydrophobicContact CG2-CE 3.92Å; T176-M237 HydrophobicContact CG2-CG 3.73Å; T176-M237 HydrophobicContact CG2-SD 3.66Å; I204-M237 HydrophobicContact CG2-CB 3.7Å; I204-M237 HydrophobicContact CG2-SD 4.25Å; V205-M237 PolarHBondContact O-N 3.07Å; G206-M237 WeakPolarHBondContact CA-O 3.36Å; I207-M237 PolarHBondContact N-O 3.38Å; V220-M237 WeakPolarHBondContact CG2-O 3.42Å; M237-Q239 HydrophobicContact CE-CG 4.11Å; M237-Y287 WeakPolarHBondContact CA-O 3.33Å; M237-Y287 HydrophobicContact CB-CG 4.26Å; M237-Y287 HydrophobicContact CE-CD1 3.95Å; M237-Y287 HydrophobicContact CE-CD2 4.5Å; M237-Y287 HydrophobicContact CE-CE1 3.54Å; M237-Y287 HydrophobicContact CE-CE2 4.13Å; M237-Y287 HydrophobicContact CE-CG 4.42Å; M237-Y287 HydrophobicContact CG-CD1 3.61Å; M237-Y287 HydrophobicContact CG-CD2 4.41Å; M237-Y287 HydrophobicContact CG-CE1 4.21Å; M237-Y287 HydrophobicContact CG-CG 3.74Å; M237-Y287 HydrophobicContact SD-CD1 3.93Å; M237-Y287 HydrophobicContact SD-CD2 3.93Å; M237-Y287 HydrophobicContact SD-CE1 4.08Å; M237-Y287 HydrophobicContact SD-CE2 4.07Å; M237-Y287 HydrophobicContact SD-CG 3.86Å
238	S	98.8	Very high	98.3	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	129.9	172.6	178.6	0	0	0	0	110.6	I207 Y276 Y287 G289	I207-S238 WeakPolarHBondContact O-CA 3.45Å; S238-Y276 WeakPolarHBondContact CB-OH 3.07Å; S238-Y276 PolarHBondContact O-OH 3.35Å; S238-Y276 PolarHBondContact OG-OH 3.34Å; S238-Y287 PolarHBondContact N-O 2.96Å; S238-G289 PolarHBondContact O-N 3.33Å
239	Q	98.9	Very high	98	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.019	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	74.5	173.3	-69.8	-172.9	-77.8	0	0	110.4	I207 N208 C209 M237 Y287 G290 C291	I207-Q239 PolarHBondContact O-N 3.36Å; N208-Q239 CarbonylContact C-O 3.48Å; N208-Q239 WeakPolarHBondContact CA-O 3.45Å; N208-Q239 HydrophobicContact CB-CB 3.9Å; C209-Q239 PolarHBondContact N-O 3.06Å; M237-Q239 HydrophobicContact CE-CG 4.11Å; Q239-Y287 HydrophobicContact CG-CE1 4.3Å; Q239-G290 PolarHBondContact NE2-O 3.4Å; Q239-C291 HydrophobicContact CB-CB 4.49Å; Q239-C291 WeakPolarHBondContact O-CB 3.17Å
240	P	98.9	Very high	97.7	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.			trans	-71.3	177.4	-174.9	32.2	-37.4	0	0	0	112.7	P213 C216 Y276 C291 F294	P213-P240 HydrophobicContact CB-CB 4.2Å; P213-P240 HydrophobicContact CB-CG 3.93Å; P213-P240 HydrophobicContact CG-CB 4.04Å; P213-P240 HydrophobicContact CG-CG 3.8Å; C216-P240 HydrophobicContact CB-CB 3.94Å; P240-Y276 VanDerWaalsContact CD-CZ 3.48Å; P240-Y276 WeakPolarHBondContact CD-OH 3.43Å; P240-Y276 HydrophobicContact CG-CD1 4.48Å; P240-Y276 HydrophobicContact CG-CD2 4.36Å; P240-Y276 HydrophobicContact CG-CE1 3.99Å; P240-Y276 HydrophobicContact CG-CE2 3.82Å; P240-C291 WeakPolarHBondContact O-CB 3.31Å; P240-C291 PolarHBondContact O-N 3.43Å; P240-F294 HydrophobicContact CG-CE2 4.07Å; P240-F294 HydrophobicContact CG-CZ 4.01Å; P240-F294 WeakPolarHBondContact O-CE2 3.4Å
241	L	98.9	Very high	97.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.			trans	-65.6	147.2	166.2	-66.8	178.8	0	0	0	112.2	H210 F211 F243 T245 F253 L268 C292 F294	H210-L241 WeakPolarHBondContact O-CD1 3.49Å; F211-L241 WeakPolarHBondContact O-CB 3.37Å; F211-L241 WeakPolarHBondContact O-CG 3.38Å; F211-L241 PolarHBondContact O-N 3.03Å; L241-F243 HydrophobicContact CB-CB 4.34Å; L241-F243 HydrophobicContact CB-CD2 4.17Å; L241-F243 HydrophobicContact CD2-CD2 4.39Å; L241-F243 PolarHBondContact O-N 3Å; L241-T245 HydrophobicContact CD1-CG2 3.9Å; L241-F253 HydrophobicContact CD1-CB 3.6Å; L241-F253 HydrophobicContact CD1-CD1 3.82Å; L241-F253 HydrophobicContact CD1-CD2 3.73Å; L241-F253 HydrophobicContact CD1-CE1 4.43Å; L241-F253 HydrophobicContact CD1-CE2 4.33Å; L241-F253 HydrophobicContact CD1-CG 3.43Å; L241-F253 VanDerWaalsContact CD1-CG 3.43Å; L241-F253 HydrophobicContact CD2-CD1 4.31Å; L241-F253 HydrophobicContact CD2-CD2 4.26Å; L241-F253 HydrophobicContact CD2-CE1 4.09Å; L241-F253 HydrophobicContact CD2-CE2 4.03Å; L241-F253 HydrophobicContact CD2-CG 4.4Å; L241-F253 HydrophobicContact CD2-CZ 3.94Å; L241-L268 VanDerWaalsContact O-CD1 3.31Å; L241-L268 WeakPolarHBondContact O-CD1 3.29Å; L241-C292 WeakPolarHBondContact CA-O 3.22Å; L241-C292 HydrophobicContact CD2-CB 3.69Å; L241-F294 WeakPolarHBondContact O-CE2 3.37Å
242	G	98.6	Very high	97.1	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-78.7	23.2	166.3	0	0	0	0	0	112.9	I267 L268 C292	G242-I267 WeakPolarHBondContact O-CA 3.36Å; G242-L268 VanDerWaalsContact C-CD1 3.44Å; G242-L268 PolarHBondContact O-N 3.37Å; G242-C292 PolarHBondContact N-O 2.81Å
243	F	98.8	Very high	97	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.018	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-132.8	143.8	-174.3	-55	-72.8	0	0	0	110.9	D212 L241 T245 F253 L263 R266 I267 C292	D212-F243 VanDerWaalsContact CB-O 3.29Å; D212-F243 WeakPolarHBondContact CB-O 3.42Å; L241-F243 HydrophobicContact CB-CB 4.34Å; L241-F243 HydrophobicContact CB-CD2 4.17Å; L241-F243 HydrophobicContact CD2-CD2 4.39Å; L241-F243 PolarHBondContact O-N 3Å; F243-T245 HydrophobicContact CB-CG2 4.3Å; F243-F253 HydrophobicContact CD2-CD2 4.45Å; F243-F253 HydrophobicContact CD2-CE2 4.4Å; F243-F253 HydrophobicContact CE2-CE2 4.37Å; F243-L263 HydrophobicContact CD1-CB 3.95Å; F243-L263 HydrophobicContact CD2-CD1 4.47Å; F243-L263 HydrophobicContact CE1-CB 3.69Å; F243-L263 HydrophobicContact CE2-CD1 4.16Å; F243-L263 HydrophobicContact CZ-CB 4.13Å; F243-L263 HydrophobicContact CZ-CD1 4.19Å; F243-R266 CarbonylContact C-O 3.57Å; F243-R266 VanDerWaalsContact CA-O 3.22Å; F243-R266 WeakPolarHBondContact CA-O 3.36Å; F243-R266 HydrophobicContact CB-CB 4.03Å; F243-R266 HydrophobicContact CD1-CB 4.25Å; F243-I267 HydrophobicContact CD1-CG1 3.85Å; F243-I267 HydrophobicContact CE1-CD1 4.47Å; F243-I267 HydrophobicContact CE1-CG1 3.58Å; F243-C292 HydrophobicContact CE2-CB 4.41Å; F243-C292 WeakPolarHBondContact CE2-O 3.45Å
244	H	98.6	Very high	96.8	Very high	82 Å²	82	26 Å²	26	38%	0.38	13%	0.133	S	C	.	.			trans	-73	126	165.3	-76.2	-73	0	0	0	110.3	P246 R266 L268 D272	H244-P246 VanDerWaalsContact C-CD 3.5Å; H244-R266 PolarHBondContact N-O 3.43Å; H244-R266 PolarHBondContact O-NH1 3.29Å; H244-L268 VanDerWaalsContact CD2-CD2 3.47Å; H244-L268 WeakPolarHBondContact CD2-CD2 3.26Å; H244-L268 WeakPolarHBondContact CE1-CD2 3.33Å; H244-L268 WeakPolarHBondContact NE2-CD2 3.46Å; H244-D272 IonicContact NE2-OD2 2.74Å
245	T	98.4	Very high	96.6	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.018	13%	0.133	C	C	.	.			trans	-137.7	50.9	-177.6	64.8	0	0	0	0	112.7	D212 L241 F243 D247 C248 F253 L256	D212-T245 WeakPolarHBondContact CB-OG1 3.21Å; D212-T245 PolarHBondContact N-OG1 3.23Å; D212-T245 VanDerWaalsContact N-OG1 3.08Å; D212-T245 PolarHBondContact OD2-N 2.92Å; D212-T245 PolarHBondContact OD2-OG1 2.99Å; L241-T245 HydrophobicContact CD1-CG2 3.9Å; F243-T245 HydrophobicContact CB-CG2 4.3Å; T245-D247 PolarHBondContact O-N 3.41Å; T245-D247 VanDerWaalsContact O-N 3.1Å; T245-C248 VanDerWaalsContact CB-SG 3.54Å; T245-C248 PolarHBondContact O-N 3.05Å; T245-F253 HydrophobicContact CG2-CB 3.97Å; T245-L256 HydrophobicContact CG2-CD1 4.12Å
246	P	97.9	Very high	96.4	Very high	88 Å²	88	24.5 Å²	24.5	57%	0.571	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-13.5	-177.4	31.3	-38	0	0	0	113.4	H244 M359	H244-P246 VanDerWaalsContact C-CD 3.5Å; P246-M359 HydrophobicContact CG-CG 4.3Å; P246-M359 HydrophobicContact CG-SD 4.26Å
247	D	96.8	Very high	96.1	Very high	18 Å²	18	26.9 Å²	26.9	10%	0.096	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	3.6	-175.9	51.1	-9.6	0	0	0	113.5	T245 R266 M359 S360 P362	T245-D247 PolarHBondContact O-N 3.41Å; T245-D247 VanDerWaalsContact O-N 3.1Å; D247-R266 IonicContact OD1-CZ 2.98Å; D247-R266 IonicContact OD1-NH1 2.62Å; D247-R266 PolarHBondContact OD1-NH1 3.3Å; D247-R266 IonicContact OD1-NH2 3.82Å; D247-R266 IonicContact OD2-CZ 2.69Å; D247-R266 IonicContact OD2-NH1 2.7Å; D247-R266 PolarHBondContact OD2-NH1 3.43Å; D247-R266 IonicContact OD2-NH2 2.59Å; D247-R266 PolarHBondContact OD2-NH2 3.48Å; D247-M359 HydrophobicContact CB-CB 3.93Å; D247-M359 HydrophobicContact CB-CG 4.07Å; D247-M359 HydrophobicContact CB-SD 4.21Å; D247-M359 VanDerWaalsContact OD2-CA 3.29Å; D247-M359 WeakPolarHBondContact OD2-CA 3.18Å; D247-S360 WeakPolarHBondContact CB-O 3.4Å; D247-S360 PolarHBondContact OD2-N 3.14Å; D247-P362 VanDerWaalsContact O-CD 3.31Å; D247-P362 WeakPolarHBondContact O-CD 3.49Å; D247-P362 WeakPolarHBondContact O-CG 3.36Å
248	C	94.6	Very high	96.1	Very high	29 Å²	29	28.5 Å²	28.5	20%	0.196	15%	0.15	C	C	.	.			trans	-64.7	142	172.8	-84.4	0	0	0	0	112.3	F211 T245 G252 F253	F211-C248 HydrophobicContact CD1-CB 4.47Å; F211-C248 HydrophobicContact CE1-CB 4.47Å; T245-C248 VanDerWaalsContact CB-SG 3.54Å; T245-C248 PolarHBondContact O-N 3.05Å; C248-G252 PolarHBondContact SG-O 3.26Å; C248-F253 WeakPolarHBondContact SG-CA 3.2Å; C248-F253 PolarHBondContact SG-N 2.92Å
249	N	92.2	Very high	95.9	Very high	43 Å²	43	31.2 Å²	31.2	23%	0.23	16%	0.161	C	C	.	.			trans	-85	-172.6	161.2	66.7	14	0	0	0	109.4	F211 Q251 G252 D255 P362	F211-N249 WeakPolarHBondContact CE1-O 2.98Å; N249-Q251 PolarHBondContact O-N 3.34Å; N249-Q251 WeakPolarHBondContact OD1-CA 3.29Å; N249-Q251 WeakPolarHBondContact OD1-CB 3.4Å; N249-Q251 PolarHBondContact OD1-N 3.06Å; N249-G252 PolarHBondContact O-N 2.95Å; N249-G252 VanDerWaalsContact O-N 3.09Å; N249-D255 PolarHBondContact ND2-OD2 3.45Å; N249-P362 HydrophobicContact CB-CB 4.41Å; N249-P362 HydrophobicContact CB-CG 4.2Å
250	R	92.4	Very high	95.8	Very high	100 Å²	100	32.5 Å²	32.5	38%	0.377	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-16.6	176.8	75.3	176.7	-167.2	125.4	7.5	115.8	E182 L185 G252	E182-R250 HydrophobicContact CB-CB 4.42Å; L185-R250 PolarHBondContact O-NH1 3.41Å; R250-G252 VanDerWaalsContact C-N 3.34Å
251	Q	89.1	Confident	95.8	Very high	34 Å²	34	39.3 Å²	39.3	16%	0.159	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-12.7	-179.6	-162	57.9	40.7	0	0	112.3	E154 H210 N249 D255	E154-Q251 PolarHBondContact OE1-NE2 3.34Å; H210-Q251 PolarHBondContact ND1-O 3.09Å; N249-Q251 PolarHBondContact O-N 3.34Å; N249-Q251 WeakPolarHBondContact OD1-CA 3.29Å; N249-Q251 WeakPolarHBondContact OD1-CB 3.4Å; N249-Q251 PolarHBondContact OD1-N 3.06Å; Q251-D255 HydrophobicContact CB-CB 4.4Å; Q251-D255 WeakPolarHBondContact CB-OD2 3.19Å; Q251-D255 VanDerWaalsContact CG-CG 3.48Å; Q251-D255 WeakPolarHBondContact CG-OD1 3.23Å; Q251-D255 VanDerWaalsContact CG-OD2 3.27Å; Q251-D255 WeakPolarHBondContact CG-OD2 3.41Å
252	G	95.1	Very high	95.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.			trans	78.7	-164.3	-179.4	0	0	0	0	0	113.6	H210 C248 N249 R250 I254 D255	H210-G252 CarbonylContact O-C 3.58Å; H210-G252 VanDerWaalsContact O-CA 3.27Å; H210-G252 WeakPolarHBondContact O-CA 3.42Å; C248-G252 PolarHBondContact SG-O 3.26Å; N249-G252 PolarHBondContact O-N 2.95Å; N249-G252 VanDerWaalsContact O-N 3.09Å; R250-G252 VanDerWaalsContact C-N 3.34Å; G252-I254 PolarHBondContact O-N 2.72Å; G252-D255 PolarHBondContact O-N 3.25Å
253	F	96.3	Very high	95.7	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.018	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-69.5	-11.7	-168.3	85.2	-45.2	0	0	0	115.9	H210 L241 F243 T245 C248 D255 L256 F259 L263 C292	H210-F253 AromaticContact CD2-CE1 3.9Å; H210-F253 PolarHBondContact O-N 2.89Å; L241-F253 HydrophobicContact CD1-CB 3.6Å; L241-F253 HydrophobicContact CD1-CD1 3.82Å; L241-F253 HydrophobicContact CD1-CD2 3.73Å; L241-F253 HydrophobicContact CD1-CE1 4.43Å; L241-F253 HydrophobicContact CD1-CE2 4.33Å; L241-F253 HydrophobicContact CD1-CG 3.43Å; L241-F253 VanDerWaalsContact CD1-CG 3.43Å; L241-F253 HydrophobicContact CD2-CD1 4.31Å; L241-F253 HydrophobicContact CD2-CD2 4.26Å; L241-F253 HydrophobicContact CD2-CE1 4.09Å; L241-F253 HydrophobicContact CD2-CE2 4.03Å; L241-F253 HydrophobicContact CD2-CG 4.4Å; L241-F253 HydrophobicContact CD2-CZ 3.94Å; F243-F253 HydrophobicContact CD2-CD2 4.45Å; F243-F253 HydrophobicContact CD2-CE2 4.4Å; F243-F253 HydrophobicContact CE2-CE2 4.37Å; T245-F253 HydrophobicContact CG2-CB 3.97Å; C248-F253 WeakPolarHBondContact SG-CA 3.2Å; C248-F253 PolarHBondContact SG-N 2.92Å; F253-D255 VanDerWaalsContact C-N 3.26Å; F253-D255 PolarHBondContact O-N 2.92Å; F253-L256 HydrophobicContact CB-CD1 4.06Å; F253-L256 WeakPolarHBondContact O-CB 3.1Å; F253-L256 PolarHBondContact O-N 3.18Å; F253-L256 VanDerWaalsContact O-N 3.14Å; F253-F259 AromaticContact CD2-CD2 3.93Å; F253-F259 HydrophobicContact CD2-CD2 3.93Å; F253-F259 HydrophobicContact CD2-CE2 4.49Å; F253-F259 HydrophobicContact CE1-CD2 4.3Å; F253-F259 HydrophobicContact CE1-CE2 4.08Å; F253-F259 AromaticContact CE2-CD2 3.6Å; F253-F259 HydrophobicContact CE2-CD2 3.6Å; F253-F259 AromaticContact CE2-CE2 3.76Å; F253-F259 HydrophobicContact CE2-CE2 3.76Å; F253-F259 HydrophobicContact CG-CD2 4.42Å; F253-F259 AromaticContact CZ-CD2 3.81Å; F253-F259 HydrophobicContact CZ-CD2 3.81Å; F253-F259 AromaticContact CZ-CE2 3.53Å; F253-F259 HydrophobicContact CZ-CE2 3.53Å; F253-F259 WeakPolarHBondContact O-CB 3.49Å; F253-L263 HydrophobicContact CD2-CD1 3.8Å; F253-L263 HydrophobicContact CE2-CD1 3.78Å; F253-C292 HydrophobicContact CZ-CB 4.24Å
254	I	93.8	Very high	95.7	Very high	56 Å²	56	45.8 Å²	45.8	29%	0.287	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-67.8	-32	-179.5	-64.2	-177.7	0	0	0	110.8	Y152 H210 G252 L256 F259	Y152-I254 VanDerWaalsContact OH-CD1 3.24Å; Y152-I254 WeakPolarHBondContact OH-CD1 3.42Å; H210-I254 VanDerWaalsContact NE2-CD1 3.35Å; H210-I254 WeakPolarHBondContact NE2-CD1 3.44Å; G252-I254 PolarHBondContact O-N 2.72Å; I254-L256 VanDerWaalsContact C-N 3.26Å; I254-L256 PolarHBondContact O-N 2.84Å; I254-F259 HydrophobicContact CG1-CD2 4.37Å; I254-F259 HydrophobicContact CG1-CE1 4.46Å; I254-F259 HydrophobicContact CG1-CE2 4.07Å; I254-F259 HydrophobicContact CG1-CZ 4.13Å; I254-F259 HydrophobicContact CG2-CD1 4.17Å; I254-F259 HydrophobicContact CG2-CE1 4.09Å
255	D	92.8	Very high	95.7	Very high	28 Å²	28	45 Å²	45	15%	0.15	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-79.8	-6.2	175.9	-79.1	9.2	0	0	0	112.6	N249 Q251 G252 F253 P362 D363	N249-D255 PolarHBondContact ND2-OD2 3.45Å; Q251-D255 HydrophobicContact CB-CB 4.4Å; Q251-D255 WeakPolarHBondContact CB-OD2 3.19Å; Q251-D255 VanDerWaalsContact CG-CG 3.48Å; Q251-D255 WeakPolarHBondContact CG-OD1 3.23Å; Q251-D255 VanDerWaalsContact CG-OD2 3.27Å; Q251-D255 WeakPolarHBondContact CG-OD2 3.41Å; G252-D255 PolarHBondContact O-N 3.25Å; F253-D255 VanDerWaalsContact C-N 3.26Å; F253-D255 PolarHBondContact O-N 2.92Å; D255-P362 HydrophobicContact CB-CB 3.94Å; D255-P362 CarbonylContact O-C 3.05Å; D255-P362 VanDerWaalsContact O-CA 3.26Å; D255-P362 WeakPolarHBondContact O-CA 3.18Å; D255-D363 WeakPolarHBondContact CB-O 3.21Å; D255-D363 VanDerWaalsContact CG-O 3.27Å; D255-D363 PolarHBondContact O-N 2.97Å; D255-D363 VanDerWaalsContact OD2-O 3.08Å
256	L	94.8	Very high	95.7	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.016	24%	0.242	C	C	.	.	S	Bend	trans	-70.6	135.1	174.9	-68.7	177.8	0	0	0	109.8	T245 F253 I254 E258 F259 P362	T245-L256 HydrophobicContact CG2-CD1 4.12Å; F253-L256 HydrophobicContact CB-CD1 4.06Å; F253-L256 WeakPolarHBondContact O-CB 3.1Å; F253-L256 PolarHBondContact O-N 3.18Å; F253-L256 VanDerWaalsContact O-N 3.14Å; I254-L256 VanDerWaalsContact C-N 3.26Å; I254-L256 PolarHBondContact O-N 2.84Å; L256-E258 PolarHBondContact O-N 3.04Å; L256-F259 WeakPolarHBondContact O-CB 3.42Å; L256-F259 PolarHBondContact O-N 3Å; L256-P362 HydrophobicContact CD2-CG 4.13Å
257	P	94.5	Very high	95.7	Very high	69 Å²	69	44 Å²	44	45%	0.448	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.3	-179.6	-27.5	35.4	0	0	0	114.4	K361	P257-K361 WeakPolarHBondContact CD-O 3.45Å; P257-K361 WeakPolarHBondContact CG-O 3.13Å
258	E	97	Very high	95.8	Very high	34 Å²	34	43.4 Å²	43.4	16%	0.159	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-14.3	179.4	-59.4	93.1	152.6	0	0	114	L256 P260 F261 A262 L263 R266 S360	L256-E258 PolarHBondContact O-N 3.04Å; E258-P260 CarbonylContact O-C 3.5Å; E258-F261 PolarHBondContact O-N 3.27Å; E258-F261 VanDerWaalsContact O-N 3.11Å; E258-A262 HydrophobicContact CB-CB 3.92Å; E258-A262 HydrophobicContact CG-CB 4.24Å; E258-A262 PolarHBondContact O-N 2.83Å; E258-L263 HydrophobicContact CB-CD2 3.88Å; E258-L263 HydrophobicContact CB-CG 4.47Å; E258-R266 VanDerWaalsContact CD-NH2 3.33Å; E258-R266 IonicContact OE1-CZ 3.8Å; E258-R266 IonicContact OE1-NE 3.56Å; E258-R266 IonicContact OE1-NH2 3.25Å; E258-R266 PolarHBondContact OE1-NH2 2.89Å; E258-R266 IonicContact OE2-CZ 3.87Å; E258-R266 IonicContact OE2-NE 3.75Å; E258-R266 IonicContact OE2-NH2 2.73Å; E258-R266 PolarHBondContact OE2-NH2 3.49Å; E258-S360 WeakPolarHBondContact OE1-CB 3.26Å; E258-S360 PolarHBondContact OE1-OG 3.18Å
259	F	96.1	Very high	96	Very high	57 Å²	57	44 Å²	44	25%	0.25	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	137	-179.2	176.6	-89.6	0	0	0	111.7	F253 I254 L256 L263	F253-F259 AromaticContact CD2-CD2 3.93Å; F253-F259 HydrophobicContact CD2-CD2 3.93Å; F253-F259 HydrophobicContact CD2-CE2 4.49Å; F253-F259 HydrophobicContact CE1-CD2 4.3Å; F253-F259 HydrophobicContact CE1-CE2 4.08Å; F253-F259 AromaticContact CE2-CD2 3.6Å; F253-F259 HydrophobicContact CE2-CD2 3.6Å; F253-F259 AromaticContact CE2-CE2 3.76Å; F253-F259 HydrophobicContact CE2-CE2 3.76Å; F253-F259 HydrophobicContact CG-CD2 4.42Å; F253-F259 AromaticContact CZ-CD2 3.81Å; F253-F259 HydrophobicContact CZ-CD2 3.81Å; F253-F259 AromaticContact CZ-CE2 3.53Å; F253-F259 HydrophobicContact CZ-CE2 3.53Å; F253-F259 WeakPolarHBondContact O-CB 3.49Å; I254-F259 HydrophobicContact CG1-CD2 4.37Å; I254-F259 HydrophobicContact CG1-CE1 4.46Å; I254-F259 HydrophobicContact CG1-CE2 4.07Å; I254-F259 HydrophobicContact CG1-CZ 4.13Å; I254-F259 HydrophobicContact CG2-CD1 4.17Å; I254-F259 HydrophobicContact CG2-CE1 4.09Å; L256-F259 WeakPolarHBondContact O-CB 3.42Å; L256-F259 PolarHBondContact O-N 3Å; F259-L263 HydrophobicContact CD2-CD1 4.2Å
260	P	96.8	Very high	96.3	Very high	31 Å²	31	45.7 Å²	45.7	20%	0.201	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.6	-5	-13.4	36.2	-33.8	0	0	0	113.5	W38 E258	W38-P260 HydrophobicContact CH2-CB 4.22Å; W38-P260 HydrophobicContact CH2-CG 4.49Å; W38-P260 HydrophobicContact CZ2-CB 3.89Å; W38-P260 HydrophobicContact CZ2-CG 3.97Å; E258-P260 CarbonylContact O-C 3.5Å
261	F	97.8	Very high	96.6	Very high	142 Å²	142	42.5 Å²	42.5	62%	0.623	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	3.3	-161	-61.6	-59.3	0	0	0	116.3	A35 E258	A35-F261 HydrophobicContact CB-CE1 3.48Å; A35-F261 VanDerWaalsContact CB-CE1 3.48Å; A35-F261 HydrophobicContact CB-CZ 3.42Å; A35-F261 VanDerWaalsContact CB-CZ 3.42Å; E258-F261 PolarHBondContact O-N 3.27Å; E258-F261 VanDerWaalsContact O-N 3.11Å
262	A	97.6	Very high	97.1	Very high	45 Å²	45	43.1 Å²	43.1	37%	0.372	22%	0.223	S	C	.	.	S	Bend	trans	-136.1	23.6	-179.4	0	0	0	0	0	112.9	E258 E264 P265	E258-A262 HydrophobicContact CB-CB 3.92Å; E258-A262 HydrophobicContact CG-CB 4.24Å; E258-A262 PolarHBondContact O-N 2.83Å; A262-E264 VanDerWaalsContact C-N 3.28Å; A262-E264 VanDerWaalsContact CA-OE2 3.23Å; A262-E264 WeakPolarHBondContact CA-OE2 3.13Å; A262-E264 PolarHBondContact O-N 2.93Å; A262-P265 WeakPolarHBondContact O-CD 3.49Å
263	L	98.4	Very high	97.3	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	22%	0.223	C	C	.	.			trans	-80.3	-3.2	-178.6	-64.1	172.4	0	0	0	113.4	F243 F253 E258 F259 R266	F243-L263 HydrophobicContact CD1-CB 3.95Å; F243-L263 HydrophobicContact CD2-CD1 4.47Å; F243-L263 HydrophobicContact CE1-CB 3.69Å; F243-L263 HydrophobicContact CE2-CD1 4.16Å; F243-L263 HydrophobicContact CZ-CB 4.13Å; F243-L263 HydrophobicContact CZ-CD1 4.19Å; F253-L263 HydrophobicContact CD2-CD1 3.8Å; F253-L263 HydrophobicContact CE2-CD1 3.78Å; E258-L263 HydrophobicContact CB-CD2 3.88Å; E258-L263 HydrophobicContact CB-CG 4.47Å; F259-L263 HydrophobicContact CD2-CD1 4.2Å; L263-R266 WeakPolarHBondContact O-CA 3.35Å; L263-R266 WeakPolarHBondContact O-CB 3.35Å; L263-R266 PolarHBondContact O-N 3.49Å
264	E	98.6	Very high	97.4	Very high	92 Å²	92	43.1 Å²	43.1	43%	0.43	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-52.6	-41.4	-179.8	-65.3	70.2	-153.5	0	0	115	A262 R266 I267	A262-E264 VanDerWaalsContact C-N 3.28Å; A262-E264 VanDerWaalsContact CA-OE2 3.23Å; A262-E264 WeakPolarHBondContact CA-OE2 3.13Å; A262-E264 PolarHBondContact O-N 2.93Å; E264-R266 PolarHBondContact O-N 2.98Å; E264-I267 HydrophobicContact CB-CD1 4.5Å; E264-I267 PolarHBondContact O-N 3.21Å
265	P	98.5	Very high	97.6	Very high	64 Å²	64	45.9 Å²	45.9	42%	0.416	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-60.7	-22.4	175.4	-5.3	12.7	0	0	0	113.7	A262 R353	A262-P265 WeakPolarHBondContact O-CD 3.49Å; P265-R353 VanDerWaalsContact CG-CZ 3.45Å
266	R	98.6	Very high	97.9	Very high	18 Å²	18	44.7 Å²	44.7	7%	0.068	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-92.3	-11.2	-172.8	-60.8	171	177.3	-89.8	2.8	112.3	F243 H244 D247 E258 L263 E264 L268	F243-R266 CarbonylContact C-O 3.57Å; F243-R266 VanDerWaalsContact CA-O 3.22Å; F243-R266 WeakPolarHBondContact CA-O 3.36Å; F243-R266 HydrophobicContact CB-CB 4.03Å; F243-R266 HydrophobicContact CD1-CB 4.25Å; H244-R266 PolarHBondContact N-O 3.43Å; H244-R266 PolarHBondContact O-NH1 3.29Å; D247-R266 IonicContact OD1-CZ 2.98Å; D247-R266 IonicContact OD1-NH1 2.62Å; D247-R266 PolarHBondContact OD1-NH1 3.3Å; D247-R266 IonicContact OD1-NH2 3.82Å; D247-R266 IonicContact OD2-CZ 2.69Å; D247-R266 IonicContact OD2-NH1 2.7Å; D247-R266 PolarHBondContact OD2-NH1 3.43Å; D247-R266 IonicContact OD2-NH2 2.59Å; D247-R266 PolarHBondContact OD2-NH2 3.48Å; E258-R266 VanDerWaalsContact CD-NH2 3.33Å; E258-R266 IonicContact OE1-CZ 3.8Å; E258-R266 IonicContact OE1-NE 3.56Å; E258-R266 IonicContact OE1-NH2 3.25Å; E258-R266 PolarHBondContact OE1-NH2 2.89Å; E258-R266 IonicContact OE2-CZ 3.87Å; E258-R266 IonicContact OE2-NE 3.75Å; E258-R266 IonicContact OE2-NH2 2.73Å; E258-R266 PolarHBondContact OE2-NH2 3.49Å; L263-R266 WeakPolarHBondContact O-CA 3.35Å; L263-R266 WeakPolarHBondContact O-CB 3.35Å; L263-R266 PolarHBondContact O-N 3.49Å; E264-R266 PolarHBondContact O-N 2.98Å; R266-L268 PolarHBondContact O-N 3.48Å
267	I	98.6	Very high	98.1	Very high	54 Å²	54	44.6 Å²	44.6	28%	0.277	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-55.3	127.3	-176.1	-66.8	170.6	0	0	0	110.5	G242 F243 E264	G242-I267 WeakPolarHBondContact O-CA 3.36Å; F243-I267 HydrophobicContact CD1-CG1 3.85Å; F243-I267 HydrophobicContact CE1-CD1 4.47Å; F243-I267 HydrophobicContact CE1-CG1 3.58Å; E264-I267 HydrophobicContact CB-CD1 4.5Å; E264-I267 PolarHBondContact O-N 3.21Å
268	L	98.7	Very high	98.3	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-69.5	150	178.8	-72.5	160.1	0	0	0	111.1	P213 L241 G242 H244 R266 D272 M273 Y297 H298	P213-L268 HydrophobicContact CG-CD1 3.6Å; L241-L268 VanDerWaalsContact O-CD1 3.31Å; L241-L268 WeakPolarHBondContact O-CD1 3.29Å; G242-L268 VanDerWaalsContact C-CD1 3.44Å; G242-L268 PolarHBondContact O-N 3.37Å; H244-L268 VanDerWaalsContact CD2-CD2 3.47Å; H244-L268 WeakPolarHBondContact CD2-CD2 3.26Å; H244-L268 WeakPolarHBondContact CE1-CD2 3.33Å; H244-L268 WeakPolarHBondContact NE2-CD2 3.46Å; R266-L268 PolarHBondContact O-N 3.48Å; L268-D272 HydrophobicContact CB-CB 4.15Å; L268-D272 HydrophobicContact CD2-CB 3.58Å; L268-D272 HydrophobicContact CG-CB 4.47Å; L268-M273 HydrophobicContact CB-CE 3.39Å; L268-M273 HydrophobicContact CD1-CE 3.32Å; L268-M273 HydrophobicContact CD2-CE 4.24Å; L268-M273 HydrophobicContact CG-CE 3.81Å; L268-Y297 PolarHBondContact O-OH 3.03Å; L268-H298 PolarHBondContact O-NE2 2.67Å
269	T	98.9	Very high	98.4	Very high	41 Å²	41	45.9 Å²	45.9	25%	0.252	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-86.4	167.6	174	72.4	0	0	0	0	110.6	W271 D272 M273	T269-W271 PolarHBondContact O-N 2.83Å; T269-W271 PolarHBondContact OG1-N 3.06Å; T269-D272 WeakPolarHBondContact CA-OD2 3.35Å; T269-D272 WeakPolarHBondContact CB-OD2 3.49Å; T269-D272 WeakPolarHBondContact CG2-OD2 3.38Å; T269-D272 PolarHBondContact N-OD2 3.09Å; T269-D272 PolarHBondContact O-N 2.87Å; T269-D272 VanDerWaalsContact OG1-CG 3.28Å; T269-D272 PolarHBondContact OG1-N 3.33Å; T269-D272 PolarHBondContact OG1-OD2 3.4Å; T269-M273 WeakPolarHBondContact O-CG 3.41Å; T269-M273 PolarHBondContact O-N 2.78Å; T269-M273 VanDerWaalsContact O-N 3.13Å
270	R	98.8	Very high	98.6	Very high	79 Å²	79	43.2 Å²	43.2	30%	0.298	21%	0.211	S	C	.	.	H	α-helix	trans	-60.8	-27.3	170.2	71.8	-172.4	64.7	174.4	5	112.8	M273 Q274 Y297 A301 H320	R270-M273 WeakPolarHBondContact O-CB 3.34Å; R270-M273 PolarHBondContact O-N 2.96Å; R270-Q274 WeakPolarHBondContact O-CG 3.5Å; R270-Q274 PolarHBondContact O-N 3.03Å; R270-Y297 HydrophobicContact CB-CD2 4.08Å; R270-Y297 HydrophobicContact CB-CE2 4.31Å; R270-A301 HydrophobicContact CB-CB 3.86Å; R270-A301 WeakPolarHBondContact O-CB 3.39Å; R270-H320 PolarHBondContact NH1-CD2 3.25Å; R270-H320 VanDerWaalsContact NH1-CD2 3.32Å; R270-H320 PolarHBondContact NH1-NE2 2.88Å
271	W	98.7	Very high	98.7	Very high	33 Å²	33	44.3 Å²	44.3	13%	0.125	21%	0.212	C	C	.	.	H	α-helix	trans	-75	-38.2	180	-41.9	122.9	0	0	0	110.7	T269 M273 Q274 K275 W323 W344	T269-W271 PolarHBondContact O-N 2.83Å; T269-W271 PolarHBondContact OG1-N 3.06Å; W271-M273 PolarHBondContact O-N 2.93Å; W271-Q274 VanDerWaalsContact CE3-OE1 3.3Å; W271-Q274 PolarHBondContact O-N 3.18Å; W271-K275 PolarHBondContact O-N 3.13Å; W271-W323 HydrophobicContact CD2-CE3 4.24Å; W271-W323 HydrophobicContact CD2-CZ3 4.13Å; W271-W323 HydrophobicContact CE3-CD2 4.16Å; W271-W323 AromaticContact CE3-CE3 3.49Å; W271-W323 HydrophobicContact CE3-CE3 3.49Å; W271-W323 VanDerWaalsContact CE3-CE3 3.49Å; W271-W323 HydrophobicContact CE3-CH2 4.28Å; W271-W323 AromaticContact CE3-CZ3 3.58Å; W271-W323 HydrophobicContact CE3-CZ3 3.58Å; W271-W323 HydrophobicContact CH2-CE3 4.43Å; W271-W323 AromaticContact CZ3-CD2 3.96Å; W271-W323 HydrophobicContact CZ3-CD2 3.96Å; W271-W323 AromaticContact CZ3-CE3 3.62Å; W271-W323 HydrophobicContact CZ3-CE3 3.62Å; W271-W323 HydrophobicContact CZ3-CG 4.39Å; W271-W323 HydrophobicContact CZ3-CZ3 4.2Å; W271-W344 HydrophobicContact CD2-CB 3.77Å; W271-W344 HydrophobicContact CD2-CG 4.24Å; W271-W344 AromaticContact CE2-CD2 3.78Å; W271-W344 AromaticContact CE2-CG 3.54Å; W271-W344 HydrophobicContact CE3-CB 4.39Å; W271-W344 HydrophobicContact CG-CB 4Å; W271-W344 HydrophobicContact CH2-CG 4.35Å; W271-W344 HydrophobicContact CZ2-CB 4.05Å; W271-W344 AromaticContact CZ2-CD1 3.75Å; W271-W344 AromaticContact CZ2-CD2 3.83Å; W271-W344 HydrophobicContact CZ2-CD2 3.83Å; W271-W344 HydrophobicContact CZ2-CE3 4.49Å; W271-W344 AromaticContact CZ2-CG 3.59Å; W271-W344 HydrophobicContact CZ2-CG 3.59Å; W271-W344 AromaticContact NE1-CD2 3.51Å; W271-W344 AromaticContact NE1-CE3 3.36Å; W271-W344 AromaticContact NE1-CG 3.65Å
272	D	98.8	Very high	98.7	Very high	46 Å²	46	42.9 Å²	42.9	25%	0.246	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-38.8	170.7	-56.6	-53	0	0	0	110.8	H244 L268 T269 K275 Y276	H244-D272 IonicContact NE2-OD2 2.74Å; L268-D272 HydrophobicContact CB-CB 4.15Å; L268-D272 HydrophobicContact CD2-CB 3.58Å; L268-D272 HydrophobicContact CG-CB 4.47Å; T269-D272 WeakPolarHBondContact CA-OD2 3.35Å; T269-D272 WeakPolarHBondContact CB-OD2 3.49Å; T269-D272 WeakPolarHBondContact CG2-OD2 3.38Å; T269-D272 PolarHBondContact N-OD2 3.09Å; T269-D272 PolarHBondContact O-N 2.87Å; T269-D272 VanDerWaalsContact OG1-CG 3.28Å; T269-D272 PolarHBondContact OG1-N 3.33Å; T269-D272 PolarHBondContact OG1-OD2 3.4Å; D272-K275 PolarHBondContact O-N 3.45Å; D272-Y276 WeakPolarHBondContact O-CB 3.37Å; D272-Y276 PolarHBondContact O-N 2.83Å
273	M	98.8	Very high	98.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.5	-36.8	176.4	-66.3	-57.8	100.7	0	0	113.4	P213 L268 T269 R270 W271 Y276 A277 F294 H298 A301 V302	P213-M273 HydrophobicContact CG-CE 4.06Å; L268-M273 HydrophobicContact CB-CE 3.39Å; L268-M273 HydrophobicContact CD1-CE 3.32Å; L268-M273 HydrophobicContact CD2-CE 4.24Å; L268-M273 HydrophobicContact CG-CE 3.81Å; T269-M273 WeakPolarHBondContact O-CG 3.41Å; T269-M273 PolarHBondContact O-N 2.78Å; T269-M273 VanDerWaalsContact O-N 3.13Å; R270-M273 WeakPolarHBondContact O-CB 3.34Å; R270-M273 PolarHBondContact O-N 2.96Å; W271-M273 PolarHBondContact O-N 2.93Å; M273-Y276 HydrophobicContact SD-CD1 4.46Å; M273-A277 VanDerWaalsContact O-CB 3.32Å; M273-A277 WeakPolarHBondContact O-CB 3.14Å; M273-A277 PolarHBondContact O-N 3.03Å; M273-F294 HydrophobicContact CE-CZ 4.16Å; M273-F294 HydrophobicContact SD-CD1 4.16Å; M273-F294 HydrophobicContact SD-CE1 3.31Å; M273-F294 WeakPolarHBondContact SD-CE1 3.34Å; M273-F294 HydrophobicContact SD-CE2 4.05Å; M273-F294 HydrophobicContact SD-CZ 3.24Å; M273-F294 WeakPolarHBondContact SD-CZ 3.24Å; M273-H298 HydrophobicContact CG-CB 3.79Å; M273-H298 VanDerWaalsContact CG-CD2 3.47Å; M273-H298 WeakPolarHBondContact CG-CD2 3.38Å; M273-H298 HydrophobicContact SD-CB 4.12Å; M273-A301 HydrophobicContact CB-CB 3.66Å; M273-V302 HydrophobicContact CB-CG2 4.44Å
274	Q	98.8	Very high	98.8	Very high	5 Å²	5	42 Å²	42	2%	0.023	21%	0.207	C	C	.	.	H	α-helix	trans	-65.4	-45.2	172.8	-70	-173.8	-39.6	0	0	110.8	R270 W271 Y276 A277 R278 A301 E305 W323	R270-Q274 WeakPolarHBondContact O-CG 3.5Å; R270-Q274 PolarHBondContact O-N 3.03Å; W271-Q274 VanDerWaalsContact CE3-OE1 3.3Å; W271-Q274 PolarHBondContact O-N 3.18Å; Q274-Y276 PolarHBondContact O-N 3.45Å; Q274-A277 PolarHBondContact O-N 3.38Å; Q274-R278 PolarHBondContact O-N 3.31Å; Q274-A301 HydrophobicContact CG-CB 4.18Å; Q274-E305 HydrophobicContact CB-CB 4.11Å; Q274-E305 HydrophobicContact CB-CG 4.37Å; Q274-E305 HydrophobicContact CG-CB 4.07Å; Q274-E305 WeakPolarHBondContact O-CG 3.29Å; Q274-W323 VanDerWaalsContact OE1-CE2 3.24Å
275	K	98.8	Very high	98.8	Very high	114 Å²	114	37.7 Å²	37.7	50%	0.496	19%	0.187	S	C	.	.	H	α-helix	trans	-56.1	-50.8	173.9	179.5	-174.5	169.3	-167.4	0	111.2	W271 D272 A277 R278 E279	W271-K275 PolarHBondContact O-N 3.13Å; D272-K275 PolarHBondContact O-N 3.45Å; K275-A277 PolarHBondContact O-N 3.23Å; K275-R278 PolarHBondContact O-N 3.08Å; K275-E279 WeakPolarHBondContact CE-OE1 3.49Å; K275-E279 WeakPolarHBondContact CG-OE1 3.4Å; K275-E279 IonicContact NZ-OE1 3.31Å; K275-E279 WeakPolarHBondContact O-CG 3.4Å; K275-E279 PolarHBondContact O-N 2.97Å
276	Y	98.8	Very high	98.8	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-55.2	-51.4	176.3	158.5	-118.9	0	0	0	112.4	P213 V217 S238 P240 D272 M273 Q274 R278 E279 A280 I288 G289 F294 V302	P213-Y276 HydrophobicContact CB-CD2 3.5Å; P213-Y276 VanDerWaalsContact CB-CD2 3.5Å; P213-Y276 HydrophobicContact CB-CE2 4.22Å; P213-Y276 HydrophobicContact CB-CG 3.69Å; P213-Y276 HydrophobicContact CG-CD2 4.49Å; P213-Y276 HydrophobicContact CG-CG 4.3Å; V217-Y276 HydrophobicContact CG2-CD2 3.87Å; V217-Y276 HydrophobicContact CG2-CE2 3.75Å; S238-Y276 WeakPolarHBondContact CB-OH 3.07Å; S238-Y276 PolarHBondContact O-OH 3.35Å; S238-Y276 PolarHBondContact OG-OH 3.34Å; P240-Y276 VanDerWaalsContact CD-CZ 3.48Å; P240-Y276 WeakPolarHBondContact CD-OH 3.43Å; P240-Y276 HydrophobicContact CG-CD1 4.48Å; P240-Y276 HydrophobicContact CG-CD2 4.36Å; P240-Y276 HydrophobicContact CG-CE1 3.99Å; P240-Y276 HydrophobicContact CG-CE2 3.82Å; D272-Y276 WeakPolarHBondContact O-CB 3.37Å; D272-Y276 PolarHBondContact O-N 2.83Å; M273-Y276 HydrophobicContact SD-CD1 4.46Å; Q274-Y276 PolarHBondContact O-N 3.45Å; Y276-R278 VanDerWaalsContact C-N 3.28Å; Y276-R278 PolarHBondContact O-N 3.17Å; Y276-E279 PolarHBondContact O-N 3.05Å; Y276-A280 HydrophobicContact CD2-CB 4.28Å; Y276-A280 HydrophobicContact CE2-CB 3.9Å; Y276-A280 WeakPolarHBondContact O-CB 3.12Å; Y276-A280 PolarHBondContact O-N 2.82Å; Y276-I288 HydrophobicContact CE1-CG2 3.68Å; Y276-G289 PolarHBondContact OH-O 3.49Å; Y276-F294 HydrophobicContact CD1-CZ 4.45Å; Y276-F294 HydrophobicContact CE1-CZ 4.27Å; Y276-V302 HydrophobicContact CD1-CG2 4.29Å; Y276-V302 HydrophobicContact CE1-CG2 4.37Å
277	A	98.9	Very high	98.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.6	-42.6	-177.5	0	0	0	0	0	111.7	M273 Q274 K275 Y281 V302 E305 L306	M273-A277 VanDerWaalsContact O-CB 3.32Å; M273-A277 WeakPolarHBondContact O-CB 3.14Å; M273-A277 PolarHBondContact O-N 3.03Å; Q274-A277 PolarHBondContact O-N 3.38Å; K275-A277 PolarHBondContact O-N 3.23Å; A277-Y281 WeakPolarHBondContact O-CB 3.43Å; A277-Y281 PolarHBondContact O-N 3.32Å; A277-V302 HydrophobicContact CB-CB 4.11Å; A277-V302 HydrophobicContact CB-CG1 3.73Å; A277-V302 HydrophobicContact CB-CG2 4.23Å; A277-E305 HydrophobicContact CB-CB 4.06Å; A277-E305 HydrophobicContact CB-CG 4.08Å; A277-L306 HydrophobicContact CB-CD1 4.29Å; A277-L306 HydrophobicContact CB-CG 4.28Å
278	R	98.9	Very high	98.8	Very high	62 Å²	62	33.9 Å²	33.9	23%	0.234	16%	0.16	C	C	.	.	H	α-helix	trans	-64.5	-45.7	176.2	-176.6	51.8	58.6	-172.9	-2.7	112	Q274 K275 Y276 Y281 N282 E305 E309	Q274-R278 PolarHBondContact O-N 3.31Å; K275-R278 PolarHBondContact O-N 3.08Å; Y276-R278 VanDerWaalsContact C-N 3.28Å; Y276-R278 PolarHBondContact O-N 3.17Å; R278-Y281 PolarHBondContact O-N 3.41Å; R278-N282 WeakPolarHBondContact O-CB 3.47Å; R278-N282 PolarHBondContact O-N 3.46Å; R278-N282 PolarHBondContact O-ND2 2.87Å; R278-E305 HydrophobicContact CB-CG 4.04Å; R278-E305 IonicContact CZ-OE1 3.94Å; R278-E305 IonicContact NE-OE1 2.74Å; R278-E305 PolarHBondContact NE-OE1 3.3Å; R278-E305 PolarHBondContact NH2-O 3.23Å; R278-E305 IonicContact NH2-OE1 3.78Å; R278-E305 PolarHBondContact NH2-OE1 2.93Å; R278-E309 IonicContact CZ-OE1 3.85Å; R278-E309 IonicContact CZ-OE2 2.72Å; R278-E309 IonicContact NH1-OE1 3.85Å; R278-E309 PolarHBondContact NH1-OE1 2.99Å; R278-E309 IonicContact NH1-OE2 3.85Å; R278-E309 IonicContact NH2-OE1 3.52Å; R278-E309 PolarHBondContact NH2-OE1 2.79Å; R278-E309 VanDerWaalsContact NH2-OE1 3.16Å; R278-E309 IonicContact NH2-OE2 2.84Å; R278-E309 PolarHBondContact NH2-OE2 3.15Å
279	E	98.9	Very high	98.8	Very high	69 Å²	69	33.6 Å²	33.6	32%	0.322	16%	0.159	S	C	.	.	H	α-helix	trans	-64.3	-42.9	178.7	-74.1	175.5	177.4	0	0	112.4	K275 Y276 N282 A283	K275-E279 WeakPolarHBondContact CE-OE1 3.49Å; K275-E279 WeakPolarHBondContact CG-OE1 3.4Å; K275-E279 IonicContact NZ-OE1 3.31Å; K275-E279 WeakPolarHBondContact O-CG 3.4Å; K275-E279 PolarHBondContact O-N 2.97Å; Y276-E279 PolarHBondContact O-N 3.05Å; E279-N282 PolarHBondContact O-N 3.38Å; E279-A283 WeakPolarHBondContact O-CB 3.4Å; E279-A283 PolarHBondContact O-N 2.97Å
280	A	98.9	Very high	98.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.5	-48.4	175.5	0	0	0	0	0	111.3	V217 Y276 N282 A283 G284 I285 I288	V217-A280 HydrophobicContact CG2-CB 4.01Å; Y276-A280 HydrophobicContact CD2-CB 4.28Å; Y276-A280 HydrophobicContact CE2-CB 3.9Å; Y276-A280 WeakPolarHBondContact O-CB 3.12Å; Y276-A280 PolarHBondContact O-N 2.82Å; A280-N282 VanDerWaalsContact C-N 3.34Å; A280-N282 PolarHBondContact O-N 3.04Å; A280-A283 WeakPolarHBondContact O-CB 3.24Å; A280-A283 PolarHBondContact O-N 3.37Å; A280-A283 VanDerWaalsContact O-N 3.11Å; A280-G284 PolarHBondContact O-N 3.17Å; A280-I285 HydrophobicContact CB-CB 4.23Å; A280-I285 HydrophobicContact CB-CD1 4.05Å; A280-I285 VanDerWaalsContact O-CB 3.26Å; A280-I285 WeakPolarHBondContact O-CB 3.37Å; A280-I285 WeakPolarHBondContact O-CG1 3.33Å; A280-I285 PolarHBondContact O-N 3.13Å; A280-I288 HydrophobicContact CB-CD1 3.95Å; A280-I288 HydrophobicContact CB-CG1 4.15Å; A280-I288 HydrophobicContact CB-CG2 4.27Å
281	Y	98.9	Very high	98.8	Very high	54 Å²	54	28.9 Å²	28.9	21%	0.212	14%	0.14	C	C	.	.	H	α-helix	trans	-58.8	-45.4	177.5	180	-93.8	0	0	0	111.9	V16 A277 R278 A283 G284 R286 L306 E309	V16-Y281 HydrophobicContact CG2-CD2 3.72Å; V16-Y281 HydrophobicContact CG2-CE2 3.6Å; A277-Y281 WeakPolarHBondContact O-CB 3.43Å; A277-Y281 PolarHBondContact O-N 3.32Å; R278-Y281 PolarHBondContact O-N 3.41Å; Y281-A283 VanDerWaalsContact C-N 3.25Å; Y281-A283 PolarHBondContact O-N 2.87Å; Y281-G284 PolarHBondContact O-N 2.97Å; Y281-R286 PolarHBondContact O-NH1 3.34Å; Y281-L306 HydrophobicContact CD2-CD2 4.33Å; Y281-L306 HydrophobicContact CG-CD2 4.04Å; Y281-E309 HydrophobicContact CD1-CG 4.37Å; Y281-E309 HydrophobicContact CD2-CG 4.38Å; Y281-E309 HydrophobicContact CE1-CG 3.74Å; Y281-E309 HydrophobicContact CE2-CB 4.2Å; Y281-E309 HydrophobicContact CE2-CG 3.77Å; Y281-E309 VanDerWaalsContact CZ-CG 3.4Å
282	N	98.8	Very high	98.8	Very high	112 Å²	112	28 Å²	28	60%	0.599	14%	0.138	S	C	*	.	H	α-helix	trans	-65.1	-27.8	178	-71.2	-12.5	0	0	0	112.6	R278 E279 A280 G284	R278-N282 WeakPolarHBondContact O-CB 3.47Å; R278-N282 PolarHBondContact O-N 3.46Å; R278-N282 PolarHBondContact O-ND2 2.87Å; E279-N282 PolarHBondContact O-N 3.38Å; A280-N282 VanDerWaalsContact C-N 3.34Å; A280-N282 PolarHBondContact O-N 3.04Å; N282-G284 PolarHBondContact O-N 3.45Å
283	A	98.6	Very high	98.7	Very high	11 Å²	11	26 Å²	26	9%	0.091	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-8.4	172.8	0	0	0	0	0	113.4	V217 K221 K224 E279 A280 Y281 I285	V217-A283 HydrophobicContact CG1-CB 4.13Å; K221-A283 HydrophobicContact CD-CB 4.4Å; K221-A283 VanDerWaalsContact CE-CB 3.49Å; K221-A283 HydrophobicContact CG-CB 4.02Å; K224-A283 PolarHBondContact NZ-O 3.24Å; K224-A283 VanDerWaalsContact NZ-O 3.09Å; E279-A283 WeakPolarHBondContact O-CB 3.4Å; E279-A283 PolarHBondContact O-N 2.97Å; A280-A283 WeakPolarHBondContact O-CB 3.24Å; A280-A283 PolarHBondContact O-N 3.37Å; A280-A283 VanDerWaalsContact O-N 3.11Å; Y281-A283 VanDerWaalsContact C-N 3.25Å; Y281-A283 PolarHBondContact O-N 2.87Å; A283-I285 HydrophobicContact CB-CD1 4.37Å; A283-I285 HydrophobicContact CB-CG1 4.22Å
284	G	98.6	Very high	98.8	Very high	21 Å²	21	26 Å²	26	22%	0.216	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	13.1	-175.5	0	0	0	0	0	113.8	A280 Y281 N282	A280-G284 PolarHBondContact O-N 3.17Å; Y281-G284 PolarHBondContact O-N 2.97Å; N282-G284 PolarHBondContact O-N 3.45Å
285	I	98.9	Very high	98.8	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.135	C	C	.	.			trans	-75.6	133.9	173.7	-53	177.7	0	0	0	108	V217 V220 Y236 A280 A283 Y287 I288	V217-I285 HydrophobicContact CG2-CD1 4.38Å; V220-I285 HydrophobicContact CB-CD1 3.87Å; V220-I285 HydrophobicContact CG1-CD1 3.59Å; V220-I285 HydrophobicContact CG1-CG1 3.76Å; V220-I285 HydrophobicContact CG2-CD1 4.37Å; Y236-I285 WeakPolarHBondContact O-CG2 3.31Å; A280-I285 HydrophobicContact CB-CB 4.23Å; A280-I285 HydrophobicContact CB-CD1 4.05Å; A280-I285 VanDerWaalsContact O-CB 3.26Å; A280-I285 WeakPolarHBondContact O-CB 3.37Å; A280-I285 WeakPolarHBondContact O-CG1 3.33Å; A280-I285 PolarHBondContact O-N 3.13Å; A283-I285 HydrophobicContact CB-CD1 4.37Å; A283-I285 HydrophobicContact CB-CG1 4.22Å; I285-Y287 VanDerWaalsContact CG2-O 3.28Å; I285-Y287 WeakPolarHBondContact CG2-O 3.4Å; I285-I288 HydrophobicContact CB-CG1 4.4Å; I285-I288 HydrophobicContact CG2-CG1 3.91Å
286	R	98.9	Very high	98.8	Very high	54 Å²	54	23 Å²	23	20%	0.204	12%	0.118	C	C	.	.			trans	-124.8	-14.2	-176.5	-67.5	-65.4	177.2	-86.4	3.9	113.8	L11 V17 Y236 Y281	L11-R286 HydrophobicContact CD2-CB 3.77Å; V17-R286 PolarHBondContact N-O 3.06Å; Y236-R286 PolarHBondContact O-N 3.48Å; Y281-R286 PolarHBondContact O-NH1 3.34Å
287	Y	98.9	Very high	98.8	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	109.2	159.6	-169.1	-52.4	0	0	0	108.5	I7 V17 V64 F147 Y236 M237 S238 Q239 I285	I7-Y287 HydrophobicContact CD1-CD2 4.37Å; I7-Y287 HydrophobicContact CD1-CE2 4.49Å; V17-Y287 HydrophobicContact CB-CD2 4.41Å; V17-Y287 HydrophobicContact CG1-CD2 3.97Å; V17-Y287 HydrophobicContact CG1-CE2 4.14Å; V17-Y287 HydrophobicContact CG1-CG 4.41Å; V17-Y287 WeakPolarHBondContact O-CA 3.36Å; V64-Y287 WeakPolarHBondContact CG1-OH 3.49Å; V64-Y287 HydrophobicContact CG2-CE2 3.88Å; F147-Y287 HydrophobicContact CE2-CE2 4.25Å; F147-Y287 AromaticContact CZ-CE2 3.98Å; F147-Y287 HydrophobicContact CZ-CE2 3.98Å; Y236-Y287 PolarHBondContact O-N 3.43Å; Y236-Y287 VanDerWaalsContact O-N 3.13Å; M237-Y287 WeakPolarHBondContact CA-O 3.33Å; M237-Y287 HydrophobicContact CB-CG 4.26Å; M237-Y287 HydrophobicContact CE-CD1 3.95Å; M237-Y287 HydrophobicContact CE-CD2 4.5Å; M237-Y287 HydrophobicContact CE-CE1 3.54Å; M237-Y287 HydrophobicContact CE-CE2 4.13Å; M237-Y287 HydrophobicContact CE-CG 4.42Å; M237-Y287 HydrophobicContact CG-CD1 3.61Å; M237-Y287 HydrophobicContact CG-CD2 4.41Å; M237-Y287 HydrophobicContact CG-CE1 4.21Å; M237-Y287 HydrophobicContact CG-CG 3.74Å; M237-Y287 HydrophobicContact SD-CD1 3.93Å; M237-Y287 HydrophobicContact SD-CD2 3.93Å; M237-Y287 HydrophobicContact SD-CE1 4.08Å; M237-Y287 HydrophobicContact SD-CE2 4.07Å; M237-Y287 HydrophobicContact SD-CG 3.86Å; S238-Y287 PolarHBondContact N-O 2.96Å; Q239-Y287 HydrophobicContact CG-CE1 4.3Å; I285-Y287 VanDerWaalsContact CG2-O 3.28Å; I285-Y287 WeakPolarHBondContact CG2-O 3.4Å
288	I	98.9	Very high	98.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	113.8	-175.7	-54.8	172	0	0	0	108.4	V16 V17 I18 G19 Y276 A280 I285 V302 L306	V16-I288 HydrophobicContact CG1-CD1 4.16Å; V17-I288 PolarHBondContact O-N 2.79Å; I18-I288 WeakPolarHBondContact CA-O 3.48Å; G19-I288 PolarHBondContact N-O 2.99Å; Y276-I288 HydrophobicContact CE1-CG2 3.68Å; A280-I288 HydrophobicContact CB-CD1 3.95Å; A280-I288 HydrophobicContact CB-CG1 4.15Å; A280-I288 HydrophobicContact CB-CG2 4.27Å; I285-I288 HydrophobicContact CB-CG1 4.4Å; I285-I288 HydrophobicContact CG2-CG1 3.91Å; I288-V302 HydrophobicContact CB-CG1 4.26Å; I288-V302 HydrophobicContact CG2-CG1 3.63Å; I288-L306 HydrophobicContact CD1-CD1 3.7Å
289	G	98.8	Very high	98.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.			trans	-143	-151.1	179.4	0	0	0	0	0	111.3	S238 Y276	S238-G289 PolarHBondContact O-N 3.33Å; Y276-G289 PolarHBondContact OH-O 3.49Å
290	G	98.5	Very high	98.8	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.01	11%	0.111	C	C	.	.			trans	-153.6	170	173.1	0	0	0	0	0	113.7	D20 Q239	D20-G290 PolarHBondContact O-N 2.76Å; Q239-G290 PolarHBondContact NE2-O 3.4Å
291	C	98.6	Very high	98.8	Very high	20 Å²	20	21.8 Å²	21.8	14%	0.135	11%	0.111	C	C	.	.			trans	-120.5	-141.2	-178.1	-164.4	0	0	0	0	110.2	G22 C209 Q239 P240 G293 F294	G22-C291 WeakPolarHBondContact CA-O 3.29Å; G22-C291 PolarHBondContact N-O 2.99Å; C209-C291 HydrophobicContact CB-CB 4.3Å; C209-C291 VanDerWaalsContact CB-SG 3.54Å; C209-C291 VanDerWaalsContact SG-SG 3.68Å; Q239-C291 HydrophobicContact CB-CB 4.49Å; Q239-C291 WeakPolarHBondContact O-CB 3.17Å; P240-C291 WeakPolarHBondContact O-CB 3.31Å; P240-C291 PolarHBondContact O-N 3.43Å; C291-G293 PolarHBondContact O-N 3.41Å; C291-F294 WeakPolarHBondContact O-CB 3.49Å; C291-F294 PolarHBondContact O-N 3.48Å
292	C	98.4	Very high	98.8	Very high	14 Å²	14	19.2 Å²	19.2	10%	0.095	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	126.6	-177.9	-65.9	0	0	0	0	112.3	I25 L241 G242 F243 F253	I25-C292 HydrophobicContact CG1-CB 3.86Å; L241-C292 WeakPolarHBondContact CA-O 3.22Å; L241-C292 HydrophobicContact CD2-CB 3.69Å; G242-C292 PolarHBondContact N-O 2.81Å; F243-C292 HydrophobicContact CE2-CB 4.41Å; F243-C292 WeakPolarHBondContact CE2-O 3.45Å; F253-C292 HydrophobicContact CZ-CB 4.24Å
293	G	98.2	Very high	98.8	Very high	3 Å²	3	13.9 Å²	13.9	3%	0.031	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	-11.9	-177.3	0	0	0	0	0	115	C291 E295 H298	C291-G293 PolarHBondContact O-N 3.41Å; G293-E295 PolarHBondContact O-N 3.16Å; G293-H298 PolarHBondContact O-CE1 2.88Å; G293-H298 PolarHBondContact O-ND1 2.8Å; G293-H298 VanDerWaalsContact O-ND1 3.16Å
294	F	98.8	Very high	98.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.07	C	C	.	.			trans	-73.3	119	170.9	-86.1	-113.4	0	0	0	111.3	G22 P240 L241 M273 Y276 C291 H298 I299 V302	G22-F294 PolarHBondContact N-O 3.35Å; P240-F294 HydrophobicContact CG-CE2 4.07Å; P240-F294 HydrophobicContact CG-CZ 4.01Å; P240-F294 WeakPolarHBondContact O-CE2 3.4Å; L241-F294 WeakPolarHBondContact O-CE2 3.37Å; M273-F294 HydrophobicContact CE-CZ 4.16Å; M273-F294 HydrophobicContact SD-CD1 4.16Å; M273-F294 HydrophobicContact SD-CE1 3.31Å; M273-F294 WeakPolarHBondContact SD-CE1 3.34Å; M273-F294 HydrophobicContact SD-CE2 4.05Å; M273-F294 HydrophobicContact SD-CZ 3.24Å; M273-F294 WeakPolarHBondContact SD-CZ 3.24Å; Y276-F294 HydrophobicContact CD1-CZ 4.45Å; Y276-F294 HydrophobicContact CE1-CZ 4.27Å; C291-F294 WeakPolarHBondContact O-CB 3.49Å; C291-F294 PolarHBondContact O-N 3.48Å; F294-H298 WeakPolarHBondContact CA-ND1 3.4Å; F294-H298 HydrophobicContact CB-CB 4.4Å; F294-H298 HydrophobicContact CD1-CB 3.51Å; F294-H298 HydrophobicContact CE1-CB 4.08Å; F294-H298 HydrophobicContact CG-CB 4.1Å; F294-I299 HydrophobicContact CD1-CD1 3.67Å; F294-I299 HydrophobicContact CE1-CD1 4.31Å; F294-V302 HydrophobicContact CE1-CG2 4.48Å
295	E	98.9	Very high	98.8	Very high	35 Å²	35	13.6 Å²	13.6	16%	0.164	6%	0.064	C	C	.	.			trans	-102.5	167.1	172.8	-67.9	-66.1	166.7	0	0	109.3	R30 G293 Y297 H298 I299	R30-E295 IonicContact NH2-OE2 3.58Å; G293-E295 PolarHBondContact O-N 3.16Å; E295-Y297 HydrophobicContact CB-CD1 3.79Å; E295-Y297 HydrophobicContact CB-CE1 3.78Å; E295-Y297 HydrophobicContact CG-CE1 4.29Å; E295-Y297 PolarHBondContact O-N 3.46Å; E295-H298 PolarHBondContact N-ND1 3.2Å; E295-H298 WeakPolarHBondContact O-CA 3.12Å; E295-H298 VanDerWaalsContact O-CB 3.29Å; E295-H298 WeakPolarHBondContact O-CB 3.44Å; E295-H298 PolarHBondContact O-N 2.99Å; E295-I299 PolarHBondContact O-N 2.91Å
296	P	98.9	Very high	98.8	Very high	23 Å²	23	13.6 Å²	13.6	15%	0.149	6%	0.064	C	C	.	.	H	α-helix	trans	-53.4	-33.8	-179.2	-29.8	35.7	0	0	0	114.5	L53 E56 F57 A60 H298 I299 R300	L53-P296 HydrophobicContact CD1-CG 4.37Å; E56-P296 HydrophobicContact CB-CB 3.97Å; E56-P296 HydrophobicContact CB-CG 3.54Å; E56-P296 HydrophobicContact CG-CG 4.44Å; F57-P296 HydrophobicContact CD1-CB 4.45Å; F57-P296 HydrophobicContact CD1-CG 4.28Å; F57-P296 HydrophobicContact CE1-CG 4.15Å; A60-P296 HydrophobicContact CB-CB 4.39Å; A60-P296 WeakPolarHBondContact CB-O 3.43Å; P296-H298 VanDerWaalsContact C-N 3.3Å; P296-H298 PolarHBondContact O-N 2.95Å; P296-I299 PolarHBondContact O-N 3.4Å; P296-R300 PolarHBondContact O-N 3.13Å
297	Y	98.9	Very high	98.7	Very high	74 Å²	74	14 Å²	14	29%	0.29	7%	0.068	S	C	.	.	H	α-helix	trans	-71.5	-23.2	177.5	80.3	-93.7	0	0	0	113.6	L268 R270 E295 A301	L268-Y297 PolarHBondContact O-OH 3.03Å; R270-Y297 HydrophobicContact CB-CD2 4.08Å; R270-Y297 HydrophobicContact CB-CE2 4.31Å; E295-Y297 HydrophobicContact CB-CD1 3.79Å; E295-Y297 HydrophobicContact CB-CE1 3.78Å; E295-Y297 HydrophobicContact CG-CE1 4.29Å; E295-Y297 PolarHBondContact O-N 3.46Å; Y297-A301 WeakPolarHBondContact O-CB 3.27Å; Y297-A301 PolarHBondContact O-N 3.35Å; Y297-A301 VanDerWaalsContact O-N 3.07Å
298	H	98.9	Very high	98.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69.1	-47	172.6	-65.8	144.4	0	0	0	110.2	L268 M273 G293 F294 E295 P296 R300 A301 V302	L268-H298 PolarHBondContact O-NE2 2.67Å; M273-H298 HydrophobicContact CG-CB 3.79Å; M273-H298 VanDerWaalsContact CG-CD2 3.47Å; M273-H298 WeakPolarHBondContact CG-CD2 3.38Å; M273-H298 HydrophobicContact SD-CB 4.12Å; G293-H298 PolarHBondContact O-CE1 2.88Å; G293-H298 PolarHBondContact O-ND1 2.8Å; G293-H298 VanDerWaalsContact O-ND1 3.16Å; F294-H298 WeakPolarHBondContact CA-ND1 3.4Å; F294-H298 HydrophobicContact CB-CB 4.4Å; F294-H298 HydrophobicContact CD1-CB 3.51Å; F294-H298 HydrophobicContact CE1-CB 4.08Å; F294-H298 HydrophobicContact CG-CB 4.1Å; E295-H298 PolarHBondContact N-ND1 3.2Å; E295-H298 WeakPolarHBondContact O-CA 3.12Å; E295-H298 VanDerWaalsContact O-CB 3.29Å; E295-H298 WeakPolarHBondContact O-CB 3.44Å; E295-H298 PolarHBondContact O-N 2.99Å; P296-H298 VanDerWaalsContact C-N 3.3Å; P296-H298 PolarHBondContact O-N 2.95Å; H298-R300 VanDerWaalsContact C-N 3.32Å; H298-R300 PolarHBondContact O-N 3.14Å; H298-A301 WeakPolarHBondContact O-CB 3.38Å; H298-A301 PolarHBondContact O-N 3.41Å; H298-V302 PolarHBondContact O-N 3.27Å; H298-V302 VanDerWaalsContact O-N 3.09Å
299	I	98.9	Very high	98.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.8	-40.8	175.4	-59.7	-53.2	0	0	0	111.5	I18 D20 F57 A60 F294 E295 P296 A301 V302 S303	I18-I299 HydrophobicContact CG2-CG2 3.76Å; D20-I299 VanDerWaalsContact O-CD1 3.24Å; D20-I299 WeakPolarHBondContact O-CD1 3.1Å; F57-I299 HydrophobicContact CD1-CB 4.33Å; F57-I299 HydrophobicContact CD1-CG1 3.68Å; F57-I299 HydrophobicContact CE1-CG1 3.88Å; A60-I299 HydrophobicContact CB-CB 3.95Å; A60-I299 HydrophobicContact CB-CG2 3.95Å; F294-I299 HydrophobicContact CD1-CD1 3.67Å; F294-I299 HydrophobicContact CE1-CD1 4.31Å; E295-I299 PolarHBondContact O-N 2.91Å; P296-I299 PolarHBondContact O-N 3.4Å; I299-A301 VanDerWaalsContact C-N 3.28Å; I299-A301 PolarHBondContact O-N 3.14Å; I299-V302 PolarHBondContact O-N 3.07Å; I299-S303 WeakPolarHBondContact O-CB 3.35Å; I299-S303 PolarHBondContact O-N 3.38Å
300	R	98.9	Very high	98.6	Very high	32 Å²	32	22.5 Å²	22.5	12%	0.121	12%	0.121	C	C	.	.	H	α-helix	trans	-59	-41.6	173.3	-171.8	-171.3	65.3	-151.8	-8	111.6	A60 P296 H298 S303 E304 P314 G316 H320	A60-R300 HydrophobicContact CB-CB 4.13Å; A60-R300 VanDerWaalsContact O-CA 3.27Å; A60-R300 WeakPolarHBondContact O-CA 3.38Å; P296-R300 PolarHBondContact O-N 3.13Å; H298-R300 VanDerWaalsContact C-N 3.32Å; H298-R300 PolarHBondContact O-N 3.14Å; R300-S303 PolarHBondContact O-N 3.16Å; R300-E304 WeakPolarHBondContact CD-OE1 3.35Å; R300-E304 HydrophobicContact CG-CG 4.09Å; R300-E304 IonicContact NE-OE1 2.72Å; R300-E304 PolarHBondContact NE-OE1 2.95Å; R300-E304 WeakPolarHBondContact O-CB 3.31Å; R300-E304 VanDerWaalsContact O-CG 3.27Å; R300-E304 WeakPolarHBondContact O-CG 3.13Å; R300-E304 PolarHBondContact O-N 3.5Å; R300-P314 HydrophobicContact CG-CG 4.05Å; R300-G316 WeakPolarHBondContact CD-O 3.42Å; R300-H320 VanDerWaalsContact CZ-CG 3.49Å; R300-H320 PolarHBondContact NH2-CD2 2.79Å
301	A	98.9	Very high	98.6	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-42.4	179.4	0	0	0	0	0	112.2	R270 M273 Q274 Y297 H298 I299 E304 E305	R270-A301 HydrophobicContact CB-CB 3.86Å; R270-A301 WeakPolarHBondContact O-CB 3.39Å; M273-A301 HydrophobicContact CB-CB 3.66Å; Q274-A301 HydrophobicContact CG-CB 4.18Å; Y297-A301 WeakPolarHBondContact O-CB 3.27Å; Y297-A301 PolarHBondContact O-N 3.35Å; Y297-A301 VanDerWaalsContact O-N 3.07Å; H298-A301 WeakPolarHBondContact O-CB 3.38Å; H298-A301 PolarHBondContact O-N 3.41Å; I299-A301 VanDerWaalsContact C-N 3.28Å; I299-A301 PolarHBondContact O-N 3.14Å; A301-E304 PolarHBondContact O-N 3.18Å; A301-E305 PolarHBondContact O-N 2.8Å
302	V	98.9	Very high	98.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.9	-48.1	172.8	179.2	0	0	0	0	110.4	I18 M273 Y276 A277 I288 F294 H298 I299 E304 E305 L306	I18-V302 HydrophobicContact CD1-CG1 3.87Å; M273-V302 HydrophobicContact CB-CG2 4.44Å; Y276-V302 HydrophobicContact CD1-CG2 4.29Å; Y276-V302 HydrophobicContact CE1-CG2 4.37Å; A277-V302 HydrophobicContact CB-CB 4.11Å; A277-V302 HydrophobicContact CB-CG1 3.73Å; A277-V302 HydrophobicContact CB-CG2 4.23Å; I288-V302 HydrophobicContact CB-CG1 4.26Å; I288-V302 HydrophobicContact CG2-CG1 3.63Å; F294-V302 HydrophobicContact CE1-CG2 4.48Å; H298-V302 PolarHBondContact O-N 3.27Å; H298-V302 VanDerWaalsContact O-N 3.09Å; I299-V302 PolarHBondContact O-N 3.07Å; V302-E304 VanDerWaalsContact C-N 3.35Å; V302-E304 PolarHBondContact O-N 3.02Å; V302-E305 PolarHBondContact O-N 3.28Å; V302-L306 HydrophobicContact CG1-CD1 4.47Å; V302-L306 PolarHBondContact O-N 3.16Å
303	S	98.8	Very high	98.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.8	-35.9	179.6	-178.6	0	0	0	0	113.3	I299 R300 E307 R310 P314	I299-S303 WeakPolarHBondContact O-CB 3.35Å; I299-S303 PolarHBondContact O-N 3.38Å; R300-S303 PolarHBondContact O-N 3.16Å; S303-E307 PolarHBondContact O-N 2.99Å; S303-R310 PolarHBondContact OG-NH1 3.35Å; S303-P314 VanDerWaalsContact OG-CD 3.3Å; S303-P314 WeakPolarHBondContact OG-CD 3.48Å; S303-P314 VanDerWaalsContact OG-CG 3.31Å; S303-P314 WeakPolarHBondContact OG-CG 2.87Å
304	E	98.8	Very high	98.6	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.028	18%	0.182	C	C	.	.	H	α-helix	trans	-75.1	-35.2	179.9	-79.2	177	171.3	0	0	113.1	R300 A301 V302 L306 E307 L313 S317 H320	R300-E304 WeakPolarHBondContact CD-OE1 3.35Å; R300-E304 HydrophobicContact CG-CG 4.09Å; R300-E304 IonicContact NE-OE1 2.72Å; R300-E304 PolarHBondContact NE-OE1 2.95Å; R300-E304 WeakPolarHBondContact O-CB 3.31Å; R300-E304 VanDerWaalsContact O-CG 3.27Å; R300-E304 WeakPolarHBondContact O-CG 3.13Å; R300-E304 PolarHBondContact O-N 3.5Å; A301-E304 PolarHBondContact O-N 3.18Å; V302-E304 VanDerWaalsContact C-N 3.35Å; V302-E304 PolarHBondContact O-N 3.02Å; E304-L306 VanDerWaalsContact C-N 3.28Å; E304-E307 WeakPolarHBondContact O-CB 2.92Å; E304-L313 HydrophobicContact CG-CD2 4Å; E304-S317 VanDerWaalsContact CG-OG 3.25Å; E304-S317 WeakPolarHBondContact CG-OG 3.29Å; E304-S317 WeakPolarHBondContact OE1-CB 3.47Å; E304-S317 PolarHBondContact OE1-OG 3.24Å; E304-H320 IonicContact OE1-CE1 2.76Å; E304-H320 IonicContact OE1-CG 3.93Å; E304-H320 IonicContact OE1-ND1 3.63Å; E304-H320 PolarHBondContact OE1-ND1 3.15Å; E304-H320 IonicContact OE2-CE1 3.27Å; E304-H320 PolarHBondContact OE2-CE1 3.45Å; E304-H320 IonicContact OE2-ND1 3.79Å; E304-H320 PolarHBondContact OE2-ND1 2.88Å
305	E	98.8	Very high	98.5	Very high	21 Å²	21	34.6 Å²	34.6	10%	0.098	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-36.8	175.2	176	58.9	-154	0	0	111.5	Q274 A277 R278 A301 V302	Q274-E305 HydrophobicContact CB-CB 4.11Å; Q274-E305 HydrophobicContact CB-CG 4.37Å; Q274-E305 HydrophobicContact CG-CB 4.07Å; Q274-E305 WeakPolarHBondContact O-CG 3.29Å; A277-E305 HydrophobicContact CB-CB 4.06Å; A277-E305 HydrophobicContact CB-CG 4.08Å; R278-E305 HydrophobicContact CB-CG 4.04Å; R278-E305 IonicContact CZ-OE1 3.94Å; R278-E305 IonicContact NE-OE1 2.74Å; R278-E305 PolarHBondContact NE-OE1 3.3Å; R278-E305 PolarHBondContact NH2-O 3.23Å; R278-E305 IonicContact NH2-OE1 3.78Å; R278-E305 PolarHBondContact NH2-OE1 2.93Å; A301-E305 PolarHBondContact O-N 2.8Å; V302-E305 PolarHBondContact O-N 3.28Å
306	L	98.8	Very high	98.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	18.5	-176.2	-56.2	179.2	0	0	0	112.9	V16 I18 A277 Y281 I288 V302 E304 A308 E309 R310	V16-L306 HydrophobicContact CG1-CD1 3.81Å; I18-L306 HydrophobicContact CD1-CD1 4.4Å; A277-L306 HydrophobicContact CB-CD1 4.29Å; A277-L306 HydrophobicContact CB-CG 4.28Å; Y281-L306 HydrophobicContact CD2-CD2 4.33Å; Y281-L306 HydrophobicContact CG-CD2 4.04Å; I288-L306 HydrophobicContact CD1-CD1 3.7Å; V302-L306 HydrophobicContact CG1-CD1 4.47Å; V302-L306 PolarHBondContact O-N 3.16Å; E304-L306 VanDerWaalsContact C-N 3.28Å; L306-A308 VanDerWaalsContact C-N 3.3Å; L306-A308 PolarHBondContact O-N 3.17Å; L306-E309 WeakPolarHBondContact CA-OE2 3.33Å; L306-E309 PolarHBondContact O-N 3.05Å; L306-R310 WeakPolarHBondContact O-CB 3.5Å; L306-R310 VanDerWaalsContact O-CG 3.29Å; L306-R310 WeakPolarHBondContact O-CG 3.21Å; L306-R310 PolarHBondContact O-N 3.36Å
307	E	98.3	Very high	98.5	Very high	62 Å²	62	32.9 Å²	32.9	29%	0.29	20%	0.195	S	C	.	.	H	α-helix	trans	-57.9	-42.9	175.9	175.7	-152.6	-123.1	0	0	111.2	S303 E304 E309 R310 G311 L313 K322	S303-E307 PolarHBondContact O-N 2.99Å; E304-E307 WeakPolarHBondContact O-CB 2.92Å; E307-E309 VanDerWaalsContact C-N 3.28Å; E307-E309 PolarHBondContact O-N 3.33Å; E307-R310 PolarHBondContact O-N 2.95Å; E307-G311 WeakPolarHBondContact O-CA 3.36Å; E307-G311 PolarHBondContact O-N 2.83Å; E307-L313 HydrophobicContact CB-CD2 3.95Å; E307-L313 HydrophobicContact CG-CD2 3.81Å; E307-L313 HydrophobicContact CG-CG 3.93Å; E307-L313 VanDerWaalsContact OE1-CD1 3.28Å; E307-L313 WeakPolarHBondContact OE1-CD1 3.37Å; E307-L313 WeakPolarHBondContact OE1-CD2 3.23Å; E307-L313 WeakPolarHBondContact OE1-CG 3.37Å; E307-K322 IonicContact OE1-NZ 3.58Å; E307-K322 PolarHBondContact OE1-NZ 2.95Å; E307-K322 VanDerWaalsContact OE1-NZ 3.13Å; E307-K322 IonicContact OE2-NZ 3.24Å; E307-K322 PolarHBondContact OE2-NZ 3.11Å
308	A	97.8	Very high	98.5	Very high	83 Å²	83	36 Å²	36	69%	0.686	21%	0.212	S	C	*	.	H	α-helix	trans	-62.9	-38	-177.7	0	0	0	0	0	111.9	L306	L306-A308 VanDerWaalsContact C-N 3.3Å; L306-A308 PolarHBondContact O-N 3.17Å
309	E	98.3	Very high	98.4	Very high	66 Å²	66	44.3 Å²	44.3	31%	0.308	25%	0.248	S	C	.	.	H	α-helix	trans	-75.3	-32.4	177.4	-68.7	70.7	-160.3	0	0	112.9	R278 Y281 L306 E307	R278-E309 IonicContact CZ-OE1 3.85Å; R278-E309 IonicContact CZ-OE2 2.72Å; R278-E309 IonicContact NH1-OE1 3.85Å; R278-E309 PolarHBondContact NH1-OE1 2.99Å; R278-E309 IonicContact NH1-OE2 3.85Å; R278-E309 IonicContact NH2-OE1 3.52Å; R278-E309 PolarHBondContact NH2-OE1 2.79Å; R278-E309 VanDerWaalsContact NH2-OE1 3.16Å; R278-E309 IonicContact NH2-OE2 2.84Å; R278-E309 PolarHBondContact NH2-OE2 3.15Å; Y281-E309 HydrophobicContact CD1-CG 4.37Å; Y281-E309 HydrophobicContact CD2-CG 4.38Å; Y281-E309 HydrophobicContact CE1-CG 3.74Å; Y281-E309 HydrophobicContact CE2-CB 4.2Å; Y281-E309 HydrophobicContact CE2-CG 3.77Å; Y281-E309 VanDerWaalsContact CZ-CG 3.4Å; L306-E309 WeakPolarHBondContact CA-OE2 3.33Å; L306-E309 PolarHBondContact O-N 3.05Å; E307-E309 VanDerWaalsContact C-N 3.28Å; E307-E309 PolarHBondContact O-N 3.33Å
310	R	97.8	Very high	98.4	Very high	32 Å²	32	46.1 Å²	46.1	12%	0.121	26%	0.257	C	S	.	.	H	α-helix	trans	-93.5	-22.6	-176.2	-66	173.7	75.2	-145.8	11.1	113.5	V16 G61 N63 S303 L306 E307 F312	V16-R310 HydrophobicContact CB-CG 4.08Å; G61-R310 PolarHBondContact O-NH2 3.07Å; N63-R310 PolarHBondContact OD1-NH2 2.85Å; S303-R310 PolarHBondContact OG-NH1 3.35Å; L306-R310 WeakPolarHBondContact O-CB 3.5Å; L306-R310 VanDerWaalsContact O-CG 3.29Å; L306-R310 WeakPolarHBondContact O-CG 3.21Å; L306-R310 PolarHBondContact O-N 3.36Å; E307-R310 PolarHBondContact O-N 2.95Å; R310-F312 HydrophobicContact CB-CD1 4.22Å; R310-F312 HydrophobicContact CB-CE1 3.93Å; R310-F312 HydrophobicContact CB-CZ 4.4Å; R310-F312 WeakPolarHBondContact O-CD1 3.25Å; R310-F312 WeakPolarHBondContact O-CE1 3.32Å
311	G	97.9	Very high	98.1	Very high	70 Å²	70	45.2 Å²	45.2	72%	0.722	26%	0.258	S	S	*	.	S	Bend	trans	81.7	7.6	-179.8	0	0	0	0	0	115.6	E307	E307-G311 WeakPolarHBondContact O-CA 3.36Å; E307-G311 PolarHBondContact O-N 2.83Å
312	F	98.1	Very high	97.8	Very high	94 Å²	94	48.1 Å²	48.1	41%	0.412	27%	0.27	S	S	.	.	S	Bend	trans	-154.9	160.6	-179.5	63.9	-88.6	0	0	0	113	R310	R310-F312 HydrophobicContact CB-CD1 4.22Å; R310-F312 HydrophobicContact CB-CE1 3.93Å; R310-F312 HydrophobicContact CB-CZ 4.4Å; R310-F312 WeakPolarHBondContact O-CD1 3.25Å; R310-F312 WeakPolarHBondContact O-CE1 3.32Å
313	L	98.3	Very high	97.7	Very high	72 Å²	72	49.7 Å²	49.7	38%	0.377	28%	0.276	S	S	.	.			trans	-97.5	149.8	169.3	-73.7	171.6	0	0	0	111.6	E304 E307	E304-L313 HydrophobicContact CG-CD2 4Å; E307-L313 HydrophobicContact CB-CD2 3.95Å; E307-L313 HydrophobicContact CG-CD2 3.81Å; E307-L313 HydrophobicContact CG-CG 3.93Å; E307-L313 VanDerWaalsContact OE1-CD1 3.28Å; E307-L313 WeakPolarHBondContact OE1-CD1 3.37Å; E307-L313 WeakPolarHBondContact OE1-CD2 3.23Å; E307-L313 WeakPolarHBondContact OE1-CG 3.37Å
314	P	98.3	Very high	97.7	Very high	8 Å²	8	50.2 Å²	50.2	5%	0.052	28%	0.281	C	S	.	.			trans	-71.8	154.9	172.8	34.4	-36.9	0	0	0	110.9	A60 G61 R300 S303 G316 S317	A60-P314 VanDerWaalsContact O-CB 3.27Å; A60-P314 WeakPolarHBondContact O-CB 3.21Å; A60-P314 WeakPolarHBondContact O-CG 3.37Å; G61-P314 VanDerWaalsContact CA-CB 3.49Å; R300-P314 HydrophobicContact CG-CG 4.05Å; S303-P314 VanDerWaalsContact OG-CD 3.3Å; S303-P314 WeakPolarHBondContact OG-CD 3.48Å; S303-P314 VanDerWaalsContact OG-CG 3.31Å; S303-P314 WeakPolarHBondContact OG-CG 2.87Å; P314-G316 PolarHBondContact O-N 3.19Å; P314-G316 VanDerWaalsContact O-N 3.09Å; P314-S317 WeakPolarHBondContact CD-OG 3.32Å; P314-S317 WeakPolarHBondContact CG-OG 3.5Å; P314-S317 VanDerWaalsContact O-CB 3.3Å; P314-S317 WeakPolarHBondContact O-CB 3.22Å; P314-S317 PolarHBondContact O-N 3.26Å
315	A	98.4	Very high	97.6	Very high	47 Å²	47	52.6 Å²	52.6	39%	0.388	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-56.8	-29.8	178.3	0	0	0	0	0	112.9	R59 S317 E318	R59-A315 HydrophobicContact CG-CB 4.13Å; R59-A315 PolarHBondContact NH2-O 2.94Å; R59-A315 VanDerWaalsContact NH2-O 3.07Å; A315-S317 PolarHBondContact O-N 3.25Å; A315-E318 WeakPolarHBondContact O-CB 3.24Å; A315-E318 VanDerWaalsContact O-CG 3.26Å; A315-E318 WeakPolarHBondContact O-CG 3.41Å; A315-E318 PolarHBondContact O-N 3.4Å; A315-E318 VanDerWaalsContact O-N 3.17Å
316	G	97.8	Very high	97.6	Very high	10 Å²	10	54.8 Å²	54.8	10%	0.103	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-62.8	-17.3	175.2	0	0	0	0	0	114.4	R59 R300 P314 E318	R59-G316 WeakPolarHBondContact O-CA 3.49Å; R59-G316 PolarHBondContact O-N 3.1Å; R300-G316 WeakPolarHBondContact CD-O 3.42Å; P314-G316 PolarHBondContact O-N 3.19Å; P314-G316 VanDerWaalsContact O-N 3.09Å; G316-E318 VanDerWaalsContact C-N 3.34Å
317	S	98.6	Very high	97.5	Very high	13 Å²	13	57.3 Å²	57.3	9%	0.091	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-76.7	-15.8	175.5	-63.5	0	0	0	0	113.6	E304 P314 A315 K319 H320	E304-S317 VanDerWaalsContact CG-OG 3.25Å; E304-S317 WeakPolarHBondContact CG-OG 3.29Å; E304-S317 WeakPolarHBondContact OE1-CB 3.47Å; E304-S317 PolarHBondContact OE1-OG 3.24Å; P314-S317 WeakPolarHBondContact CD-OG 3.32Å; P314-S317 WeakPolarHBondContact CG-OG 3.5Å; P314-S317 VanDerWaalsContact O-CB 3.3Å; P314-S317 WeakPolarHBondContact O-CB 3.22Å; P314-S317 PolarHBondContact O-N 3.26Å; A315-S317 PolarHBondContact O-N 3.25Å; S317-K319 PolarHBondContact O-N 3.43Å; S317-K319 VanDerWaalsContact O-N 3.08Å; S317-H320 PolarHBondContact O-N 2.92Å
318	E	98.4	Very high	97.5	Very high	138 Å²	138	59.5 Å²	59.5	65%	0.645	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-57	-26	173.2	-67.9	169.8	171.1	0	0	113.2	R59 A315 G316	R59-E318 IonicContact CZ-OE2 2.82Å; R59-E318 IonicContact NH1-OE2 2.95Å; R59-E318 PolarHBondContact NH1-OE2 2.68Å; R59-E318 IonicContact NH2-OE2 3.5Å; R59-E318 PolarHBondContact NH2-OE2 2.77Å; A315-E318 WeakPolarHBondContact O-CB 3.24Å; A315-E318 VanDerWaalsContact O-CG 3.26Å; A315-E318 WeakPolarHBondContact O-CG 3.41Å; A315-E318 PolarHBondContact O-N 3.4Å; A315-E318 VanDerWaalsContact O-N 3.17Å; G316-E318 VanDerWaalsContact C-N 3.34Å
319	K	98	Very high	97.5	Very high	175 Å²	175	63.5 Å²	63.5	76%	0.761	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-107.4	24.2	178.2	-59	-58.9	-176.3	-173.7	0	111.9	S317	S317-K319 PolarHBondContact O-N 3.43Å; S317-K319 VanDerWaalsContact O-N 3.08Å
320	H	98.4	Very high	97.5	Very high	38 Å²	38	63.6 Å²	63.6	18%	0.176	36%	0.357	C	S	.	.			trans	-137.2	151.3	-179.2	-167.7	-134.2	0	0	0	111.4	R270 R300 E304 S317	R270-H320 PolarHBondContact NH1-CD2 3.25Å; R270-H320 VanDerWaalsContact NH1-CD2 3.32Å; R270-H320 PolarHBondContact NH1-NE2 2.88Å; R300-H320 VanDerWaalsContact CZ-CG 3.49Å; R300-H320 PolarHBondContact NH2-CD2 2.79Å; E304-H320 IonicContact OE1-CE1 2.76Å; E304-H320 IonicContact OE1-CG 3.93Å; E304-H320 IonicContact OE1-ND1 3.63Å; E304-H320 PolarHBondContact OE1-ND1 3.15Å; E304-H320 IonicContact OE2-CE1 3.27Å; E304-H320 PolarHBondContact OE2-CE1 3.45Å; E304-H320 IonicContact OE2-ND1 3.79Å; E304-H320 PolarHBondContact OE2-ND1 2.88Å; S317-H320 PolarHBondContact O-N 2.92Å
321	G	93.4	Very high	97.5	Very high	14 Å²	14	67.8 Å²	67.8	14%	0.144	39%	0.386	C	S	.	.			trans	-119.5	120.1	167.6	0	0	0	0	0	108.6	W323 G324 T325	G321-W323 PolarHBondContact O-N 3.49Å; G321-G324 PolarHBondContact O-N 3.26Å; G321-G324 VanDerWaalsContact O-N 3.17Å; G321-T325 WeakPolarHBondContact CA-OG1 3.39Å
322	K	91.9	Very high	97.5	Very high	61 Å²	61	69.3 Å²	69.3	27%	0.265	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-50.9	138.1	-178.8	-69.4	-167.8	-178.3	-164.4	0	110.8	E307 G324 T325	E307-K322 IonicContact OE1-NZ 3.58Å; E307-K322 PolarHBondContact OE1-NZ 2.95Å; E307-K322 VanDerWaalsContact OE1-NZ 3.13Å; E307-K322 IonicContact OE2-NZ 3.24Å; E307-K322 PolarHBondContact OE2-NZ 3.11Å; K322-G324 PolarHBondContact O-N 2.75Å; K322-T325 PolarHBondContact N-OG1 3.08Å; K322-T325 WeakPolarHBondContact O-CG2 3.46Å; K322-T325 PolarHBondContact O-N 3Å; K322-T325 PolarHBondContact O-OG1 3.18Å
323	W	97.4	Very high	97.5	Very high	34 Å²	34	68.3 Å²	68.3	13%	0.129	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	51.8	29.2	176.8	-66.2	104.4	0	0	0	114.7	W271 Q274 G321 A339 R340 R341 W344 E345	W271-W323 HydrophobicContact CD2-CE3 4.24Å; W271-W323 HydrophobicContact CD2-CZ3 4.13Å; W271-W323 HydrophobicContact CE3-CD2 4.16Å; W271-W323 AromaticContact CE3-CE3 3.49Å; W271-W323 HydrophobicContact CE3-CE3 3.49Å; W271-W323 VanDerWaalsContact CE3-CE3 3.49Å; W271-W323 HydrophobicContact CE3-CH2 4.28Å; W271-W323 AromaticContact CE3-CZ3 3.58Å; W271-W323 HydrophobicContact CE3-CZ3 3.58Å; W271-W323 HydrophobicContact CH2-CE3 4.43Å; W271-W323 AromaticContact CZ3-CD2 3.96Å; W271-W323 HydrophobicContact CZ3-CD2 3.96Å; W271-W323 AromaticContact CZ3-CE3 3.62Å; W271-W323 HydrophobicContact CZ3-CE3 3.62Å; W271-W323 HydrophobicContact CZ3-CG 4.39Å; W271-W323 HydrophobicContact CZ3-CZ3 4.2Å; Q274-W323 VanDerWaalsContact OE1-CE2 3.24Å; G321-W323 PolarHBondContact O-N 3.49Å; W323-A339 CarbonylContact O-C 3.44Å; W323-R340 PolarHBondContact O-N 2.78Å; W323-R340 VanDerWaalsContact O-N 3.15Å; W323-R341 HydrophobicContact CB-CB 4.09Å; W323-R341 HydrophobicContact CD2-CB 3.52Å; W323-R341 HydrophobicContact CD2-CG 3.59Å; W323-R341 VanDerWaalsContact CE3-CA 3.44Å; W323-R341 HydrophobicContact CE3-CB 3.85Å; W323-R341 HydrophobicContact CE3-CG 3.77Å; W323-R341 HydrophobicContact CG-CB 3.64Å; W323-R341 HydrophobicContact CG-CG 4.2Å; W323-R341 HydrophobicContact CH2-CG 3.76Å; W323-R341 HydrophobicContact CZ2-CB 4.48Å; W323-R341 HydrophobicContact CZ2-CG 3.63Å; W323-R341 HydrophobicContact CZ3-CB 4.41Å; W323-R341 HydrophobicContact CZ3-CG 3.84Å; W323-W344 HydrophobicContact CE3-CB 4.02Å; W323-W344 HydrophobicContact CZ3-CB 4.09Å; W323-E345 HydrophobicContact CH2-CB 4.07Å; W323-E345 HydrophobicContact CH2-CG 4.36Å; W323-E345 HydrophobicContact CZ3-CB 3.94Å
324	G	97.7	Very high	97.5	Very high	11 Å²	11	72.3 Å²	72.3	11%	0.113	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	82	15.5	176.9	0	0	0	0	0	114.9	G321 K322 G326 L327 A339	G321-G324 PolarHBondContact O-N 3.26Å; G321-G324 VanDerWaalsContact O-N 3.17Å; K322-G324 PolarHBondContact O-N 2.75Å; G324-G326 PolarHBondContact O-N 3.14Å; G324-G326 VanDerWaalsContact O-N 3.08Å; G324-L327 WeakPolarHBondContact O-CB 3.44Å; G324-L327 WeakPolarHBondContact O-CG 3.14Å; G324-L327 PolarHBondContact O-N 3.45Å; G324-A339 WeakPolarHBondContact O-CA 3.17Å; G324-A339 WeakPolarHBondContact O-CB 3.46Å
325	T	97.8	Very high	97.5	Very high	56 Å²	56	72.8 Å²	72.8	34%	0.344	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-56.3	-25.2	178.6	53.9	0	0	0	0	113.5	G321 K322 L327 E328	G321-T325 WeakPolarHBondContact CA-OG1 3.39Å; K322-T325 PolarHBondContact N-OG1 3.08Å; K322-T325 WeakPolarHBondContact O-CG2 3.46Å; K322-T325 PolarHBondContact O-N 3Å; K322-T325 PolarHBondContact O-OG1 3.18Å; T325-L327 PolarHBondContact O-N 3.38Å; T325-E328 WeakPolarHBondContact CG2-OE1 3.34Å; T325-E328 WeakPolarHBondContact O-CB 3.4Å; T325-E328 WeakPolarHBondContact O-CG 3.43Å; T325-E328 PolarHBondContact O-N 3.29Å
326	G	97.6	Very high	97.5	Very high	66 Å²	66	75.2 Å²	75.2	68%	0.68	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-59.2	-13.3	170.3	0	0	0	0	0	114.8	G324	G324-G326 PolarHBondContact O-N 3.14Å; G324-G326 VanDerWaalsContact O-N 3.08Å
327	L	98.2	Very high	97.5	Very high	54 Å²	54	77.4 Å²	77.4	28%	0.283	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-88.3	-7.6	177.5	-57	177.2	0	0	0	113.7	G324 T325 L329 H330 V335 R338 A339 W344	G324-L327 WeakPolarHBondContact O-CB 3.44Å; G324-L327 WeakPolarHBondContact O-CG 3.14Å; G324-L327 PolarHBondContact O-N 3.45Å; T325-L327 PolarHBondContact O-N 3.38Å; L327-L329 PolarHBondContact O-N 3.44Å; L327-L329 VanDerWaalsContact O-N 3.17Å; L327-H330 VanDerWaalsContact O-CB 3.25Å; L327-H330 WeakPolarHBondContact O-CB 3.43Å; L327-H330 PolarHBondContact O-N 3.47Å; L327-H330 VanDerWaalsContact O-N 3.07Å; L327-V335 HydrophobicContact CB-CG1 4.41Å; L327-V335 HydrophobicContact CD2-CG1 4.27Å; L327-R338 HydrophobicContact CD1-CB 4.29Å; L327-A339 HydrophobicContact CB-CB 4.17Å; L327-W344 HydrophobicContact CD1-CZ2 4.08Å
328	E	98	Very high	97.5	Very high	108 Å²	108	80.8 Å²	80.8	51%	0.505	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.8	-174.9	-74.3	171.3	-173.2	0	0	113.7	T325 R336 A339	T325-E328 WeakPolarHBondContact CG2-OE1 3.34Å; T325-E328 WeakPolarHBondContact O-CB 3.4Å; T325-E328 WeakPolarHBondContact O-CG 3.43Å; T325-E328 PolarHBondContact O-N 3.29Å; E328-R336 WeakPolarHBondContact O-CD 3.17Å; E328-R336 WeakPolarHBondContact O-CG 3.27Å; E328-A339 HydrophobicContact CG-CB 3.68Å
329	L	96.4	Very high	97.5	Very high	167 Å²	167	75 Å²	75	87%	0.874	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	4.4	-178.6	-58.6	179.2	0	0	0	113.5	L327	L327-L329 PolarHBondContact O-N 3.44Å; L327-L329 VanDerWaalsContact O-N 3.17Å
330	H	98.4	Very high	97.5	Very high	68 Å²	68	72 Å²	72	32%	0.315	38%	0.376	S	S	.	.			trans	-65.1	142.3	-178.7	-170.3	-78.6	0	0	0	111.2	L327 K332 V335 R336	L327-H330 VanDerWaalsContact O-CB 3.25Å; L327-H330 WeakPolarHBondContact O-CB 3.43Å; L327-H330 PolarHBondContact O-N 3.47Å; L327-H330 VanDerWaalsContact O-N 3.07Å; H330-K332 WeakPolarHBondContact ND1-CB 3.42Å; H330-K332 PolarHBondContact ND1-N 2.86Å; H330-K332 PolarHBondContact O-N 3.09Å; H330-V335 HydrophobicContact CB-CB 4.18Å; H330-V335 HydrophobicContact CB-CG1 3.79Å; H330-V335 VanDerWaalsContact CG-CG1 3.46Å; H330-R336 HydrophobicContact CB-CG 4.21Å; H330-R336 WeakPolarHBondContact O-CD 3.47Å; H330-R336 WeakPolarHBondContact O-CG 3.42Å; H330-R336 PolarHBondContact O-NH1 2.74Å
331	T	97.8	Very high	97.5	Very high	120 Å²	120	75.3 Å²	75.3	74%	0.736	39%	0.387	S	S	*	.	S	Bend	trans	-63.5	-35.8	-176.3	57	0	0	0	0	114.3	R336	T331-R336 PolarHBondContact O-NH1 3.27Å
332	K	97.9	Very high	97.7	Very high	101 Å²	101	79.3 Å²	79.3	44%	0.439	40%	0.402	S	S	.	.	S	Bend	trans	-79	122.9	-179.7	-62.7	172.9	-176.5	176.5	0	112.9	H330 W334 V335 R336	H330-K332 WeakPolarHBondContact ND1-CB 3.42Å; H330-K332 PolarHBondContact ND1-N 2.86Å; H330-K332 PolarHBondContact O-N 3.09Å; K332-W334 HydrophobicContact CB-CD2 4.14Å; K332-W334 HydrophobicContact CB-CH2 4.35Å; K332-W334 HydrophobicContact CB-CZ2 3.87Å; K332-W334 HydrophobicContact CD-CH2 4.5Å; K332-W334 HydrophobicContact CD-CZ2 3.58Å; K332-W334 HydrophobicContact CG-CH2 4.24Å; K332-W334 HydrophobicContact CG-CZ2 3.73Å; K332-W334 PolarHBondContact O-N 3.46Å; K332-V335 HydrophobicContact CB-CB 4.25Å; K332-V335 HydrophobicContact CB-CG2 3.83Å; K332-V335 HydrophobicContact CD-CG2 4.29Å; K332-V335 PolarHBondContact O-N 3.04Å; K332-V335 VanDerWaalsContact O-N 3.08Å; K332-R336 PolarHBondContact O-N 3.27Å
333	P	98.4	Very high	98	Very high	73 Å²	73	79.3 Å²	79.3	47%	0.474	40%	0.4	S	S	.	.	H	α-helix	trans	-57.1	-42.7	-179.2	-24.7	32.2	0	0	0	114.7	V335 R336 A337	P333-V335 PolarHBondContact O-N 3.11Å; P333-R336 PolarHBondContact O-N 3.11Å; P333-A337 PolarHBondContact O-N 3.23Å
334	W	98.4	Very high	98.1	Very high	157 Å²	157	80.2 Å²	80.2	60%	0.595	40%	0.404	S	S	*	.	H	α-helix	trans	-69.7	-15.2	179.7	57.7	85.5	0	0	0	114	K332 R338	K332-W334 HydrophobicContact CB-CD2 4.14Å; K332-W334 HydrophobicContact CB-CH2 4.35Å; K332-W334 HydrophobicContact CB-CZ2 3.87Å; K332-W334 HydrophobicContact CD-CH2 4.5Å; K332-W334 HydrophobicContact CD-CZ2 3.58Å; K332-W334 HydrophobicContact CG-CH2 4.24Å; K332-W334 HydrophobicContact CG-CZ2 3.73Å; K332-W334 PolarHBondContact O-N 3.46Å; W334-R338 WeakPolarHBondContact O-CG 3.42Å; W334-R338 PolarHBondContact O-NE 3.15Å
335	V	98.4	Very high	98	Very high	18 Å²	18	84.5 Å²	84.5	11%	0.109	42%	0.421	C	S	.	.	H	α-helix	trans	-82.9	-45	171.7	177.9	0	0	0	0	109.7	L327 H330 K332 P333 A337 R338	L327-V335 HydrophobicContact CB-CG1 4.41Å; L327-V335 HydrophobicContact CD2-CG1 4.27Å; H330-V335 HydrophobicContact CB-CB 4.18Å; H330-V335 HydrophobicContact CB-CG1 3.79Å; H330-V335 VanDerWaalsContact CG-CG1 3.46Å; K332-V335 HydrophobicContact CB-CB 4.25Å; K332-V335 HydrophobicContact CB-CG2 3.83Å; K332-V335 HydrophobicContact CD-CG2 4.29Å; K332-V335 PolarHBondContact O-N 3.04Å; K332-V335 VanDerWaalsContact O-N 3.08Å; P333-V335 PolarHBondContact O-N 3.11Å; V335-A337 VanDerWaalsContact C-N 3.27Å; V335-A337 PolarHBondContact O-N 3.49Å; V335-R338 VanDerWaalsContact O-CB 3.29Å; V335-R338 WeakPolarHBondContact O-CB 3.45Å; V335-R338 WeakPolarHBondContact O-CG 3.22Å; V335-R338 PolarHBondContact O-N 3.16Å; V335-R338 VanDerWaalsContact O-N 3.09Å
336	R	98.5	Very high	98	Very high	98 Å²	98	88.3 Å²	88.3	37%	0.37	43%	0.433	S	S	.	.	H	α-helix	trans	-59.2	-38.4	174.3	-62.6	-168.4	-66	-89.3	7.1	112.4	E328 H330 T331 K332 P333 R338 A339	E328-R336 WeakPolarHBondContact O-CD 3.17Å; E328-R336 WeakPolarHBondContact O-CG 3.27Å; H330-R336 HydrophobicContact CB-CG 4.21Å; H330-R336 WeakPolarHBondContact O-CD 3.47Å; H330-R336 WeakPolarHBondContact O-CG 3.42Å; H330-R336 PolarHBondContact O-NH1 2.74Å; T331-R336 PolarHBondContact O-NH1 3.27Å; K332-R336 PolarHBondContact O-N 3.27Å; P333-R336 PolarHBondContact O-N 3.11Å; R336-R338 PolarHBondContact O-N 3.19Å; R336-A339 VanDerWaalsContact O-CB 3.23Å; R336-A339 WeakPolarHBondContact O-CB 3.5Å; R336-A339 PolarHBondContact O-N 2.66Å
337	A	98.2	Very high	98	Very high	56 Å²	56	88.1 Å²	88.1	46%	0.463	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-13	177.6	0	0	0	0	0	114.3	P333 V335 R340	P333-A337 PolarHBondContact O-N 3.23Å; V335-A337 VanDerWaalsContact C-N 3.27Å; V335-A337 PolarHBondContact O-N 3.49Å; A337-R340 WeakPolarHBondContact O-CD 3.45Å; A337-R340 PolarHBondContact O-NE 3.24Å
338	R	98.5	Very high	98	Very high	84 Å²	84	93.1 Å²	93.1	32%	0.317	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-11.3	175.8	-50	179	-172.4	-179.1	-7.3	113.1	L327 W334 V335 R336 R340 Y343 W344	L327-R338 HydrophobicContact CD1-CB 4.29Å; W334-R338 WeakPolarHBondContact O-CG 3.42Å; W334-R338 PolarHBondContact O-NE 3.15Å; V335-R338 VanDerWaalsContact O-CB 3.29Å; V335-R338 WeakPolarHBondContact O-CB 3.45Å; V335-R338 WeakPolarHBondContact O-CG 3.22Å; V335-R338 PolarHBondContact O-N 3.16Å; V335-R338 VanDerWaalsContact O-N 3.09Å; R336-R338 PolarHBondContact O-N 3.19Å; R338-R340 PolarHBondContact O-N 3.35Å; R338-Y343 HydrophobicContact CB-CD1 3.59Å; R338-Y343 HydrophobicContact CB-CE1 3.67Å; R338-Y343 HydrophobicContact CB-CG 4.09Å; R338-Y343 HydrophobicContact CG-CD1 3.92Å; R338-Y343 HydrophobicContact CG-CD2 4.36Å; R338-Y343 HydrophobicContact CG-CE1 3.54Å; R338-Y343 HydrophobicContact CG-CE2 4.02Å; R338-Y343 HydrophobicContact CG-CG 4.31Å; R338-W344 HydrophobicContact CB-CZ2 4Å; R338-W344 VanDerWaalsContact O-CD1 3.29Å; R338-W344 PolarHBondContact O-NE1 2.76Å
339	A	98.4	Very high	97.9	Very high	17 Å²	17	92.2 Å²	92.2	14%	0.14	44%	0.441	C	S	.	.			trans	-74.5	54.9	-177.6	0	0	0	0	0	112.2	W323 G324 L327 E328 R336	W323-A339 CarbonylContact O-C 3.44Å; G324-A339 WeakPolarHBondContact O-CA 3.17Å; G324-A339 WeakPolarHBondContact O-CB 3.46Å; L327-A339 HydrophobicContact CB-CB 4.17Å; E328-A339 HydrophobicContact CG-CB 3.68Å; R336-A339 VanDerWaalsContact O-CB 3.23Å; R336-A339 WeakPolarHBondContact O-CB 3.5Å; R336-A339 PolarHBondContact O-N 2.66Å
340	R	98	Very high	98	Very high	110 Å²	110	88.9 Å²	88.9	42%	0.415	44%	0.438	S	S	.	.	S	Bend	trans	-158.2	144.5	-175.6	59.3	-171.9	-176.6	104.4	1.4	110.7	W323 A337 R338 E342 Y343	W323-R340 PolarHBondContact O-N 2.78Å; W323-R340 VanDerWaalsContact O-N 3.15Å; A337-R340 WeakPolarHBondContact O-CD 3.45Å; A337-R340 PolarHBondContact O-NE 3.24Å; R338-R340 PolarHBondContact O-N 3.35Å; R340-E342 VanDerWaalsContact C-N 3.34Å; R340-E342 IonicContact NH1-OE2 2.77Å; R340-E342 PolarHBondContact NH1-OE2 3.07Å; R340-E342 PolarHBondContact O-N 2.98Å; R340-Y343 PolarHBondContact O-N 3.2Å
341	R	97.7	Very high	98	Very high	109 Å²	109	89.5 Å²	89.5	41%	0.411	45%	0.449	S	S	.	.	H	α-helix	trans	-52.6	-51.2	179.1	172.6	167.7	-178.7	152.7	10.2	112.6	W323 Y343 W344 E345	W323-R341 HydrophobicContact CB-CB 4.09Å; W323-R341 HydrophobicContact CD2-CB 3.52Å; W323-R341 HydrophobicContact CD2-CG 3.59Å; W323-R341 VanDerWaalsContact CE3-CA 3.44Å; W323-R341 HydrophobicContact CE3-CB 3.85Å; W323-R341 HydrophobicContact CE3-CG 3.77Å; W323-R341 HydrophobicContact CG-CB 3.64Å; W323-R341 HydrophobicContact CG-CG 4.2Å; W323-R341 HydrophobicContact CH2-CG 3.76Å; W323-R341 HydrophobicContact CZ2-CB 4.48Å; W323-R341 HydrophobicContact CZ2-CG 3.63Å; W323-R341 HydrophobicContact CZ3-CB 4.41Å; W323-R341 HydrophobicContact CZ3-CG 3.84Å; R341-Y343 PolarHBondContact O-N 2.72Å; R341-W344 PolarHBondContact O-N 3.28Å; R341-W344 VanDerWaalsContact O-N 3.1Å; R341-E345 HydrophobicContact CG-CB 4.46Å; R341-E345 WeakPolarHBondContact CG-OE2 3.29Å; R341-E345 IonicContact CZ-OE1 2.67Å; R341-E345 IonicContact CZ-OE2 3.66Å; R341-E345 IonicContact NE-OE1 2.88Å; R341-E345 PolarHBondContact NE-OE1 2.96Å; R341-E345 IonicContact NE-OE2 3.96Å; R341-E345 PolarHBondContact NE-OE2 3.09Å; R341-E345 IonicContact NH2-OE1 2.74Å; R341-E345 PolarHBondContact NH2-OE1 3.36Å; R341-E345 IonicContact NH2-OE2 3.61Å; R341-E345 WeakPolarHBondContact O-CB 3.38Å; R341-E345 PolarHBondContact O-N 2.92Å
342	E	98	Very high	98	Very high	98 Å²	98	87 Å²	87	46%	0.458	45%	0.448	S	S	.	.	H	α-helix	trans	-54.8	-33.3	-176.4	-172.3	-172.3	-172.2	0	0	113.4	R340 K346	R340-E342 VanDerWaalsContact C-N 3.34Å; R340-E342 IonicContact NH1-OE2 2.77Å; R340-E342 PolarHBondContact NH1-OE2 3.07Å; R340-E342 PolarHBondContact O-N 2.98Å; E342-K346 HydrophobicContact CG-CD 3.92Å; E342-K346 WeakPolarHBondContact O-CB 3.26Å; E342-K346 WeakPolarHBondContact O-CG 3.37Å; E342-K346 PolarHBondContact O-N 3.03Å; E342-K346 IonicContact OE1-NZ 3.2Å; E342-K346 PolarHBondContact OE1-NZ 2.93Å
343	Y	98.5	Very high	98	Very high	60 Å²	60	86.9 Å²	86.9	24%	0.235	45%	0.445	C	S	.	.	H	α-helix	trans	-68.3	-53.4	177.9	177.9	-93.6	0	0	0	111.1	R338 R340 R341 L347	R338-Y343 HydrophobicContact CB-CD1 3.59Å; R338-Y343 HydrophobicContact CB-CE1 3.67Å; R338-Y343 HydrophobicContact CB-CG 4.09Å; R338-Y343 HydrophobicContact CG-CD1 3.92Å; R338-Y343 HydrophobicContact CG-CD2 4.36Å; R338-Y343 HydrophobicContact CG-CE1 3.54Å; R338-Y343 HydrophobicContact CG-CE2 4.02Å; R338-Y343 HydrophobicContact CG-CG 4.31Å; R340-Y343 PolarHBondContact O-N 3.2Å; R341-Y343 PolarHBondContact O-N 2.72Å; Y343-L347 HydrophobicContact CE1-CD2 3.93Å; Y343-L347 VanDerWaalsContact O-CB 3.26Å; Y343-L347 WeakPolarHBondContact O-CB 3.41Å; Y343-L347 PolarHBondContact O-N 3.48Å
344	W	98.4	Very high	98	Very high	53 Å²	53	88.8 Å²	88.8	20%	0.201	46%	0.457	C	S	.	.	H	α-helix	trans	-74.3	-32.1	-173.7	-68.5	112.2	0	0	0	113.5	W271 W323 L327 R338 R341 K346 L347	W271-W344 HydrophobicContact CD2-CB 3.77Å; W271-W344 HydrophobicContact CD2-CG 4.24Å; W271-W344 AromaticContact CE2-CD2 3.78Å; W271-W344 AromaticContact CE2-CG 3.54Å; W271-W344 HydrophobicContact CE3-CB 4.39Å; W271-W344 HydrophobicContact CG-CB 4Å; W271-W344 HydrophobicContact CH2-CG 4.35Å; W271-W344 HydrophobicContact CZ2-CB 4.05Å; W271-W344 AromaticContact CZ2-CD1 3.75Å; W271-W344 AromaticContact CZ2-CD2 3.83Å; W271-W344 HydrophobicContact CZ2-CD2 3.83Å; W271-W344 HydrophobicContact CZ2-CE3 4.49Å; W271-W344 AromaticContact CZ2-CG 3.59Å; W271-W344 HydrophobicContact CZ2-CG 3.59Å; W271-W344 AromaticContact NE1-CD2 3.51Å; W271-W344 AromaticContact NE1-CE3 3.36Å; W271-W344 AromaticContact NE1-CG 3.65Å; W323-W344 HydrophobicContact CE3-CB 4.02Å; W323-W344 HydrophobicContact CZ3-CB 4.09Å; L327-W344 HydrophobicContact CD1-CZ2 4.08Å; R338-W344 HydrophobicContact CB-CZ2 4Å; R338-W344 VanDerWaalsContact O-CD1 3.29Å; R338-W344 PolarHBondContact O-NE1 2.76Å; R341-W344 PolarHBondContact O-N 3.28Å; R341-W344 VanDerWaalsContact O-N 3.1Å; W344-K346 VanDerWaalsContact C-N 3.3Å; W344-K346 PolarHBondContact O-N 2.95Å; W344-L347 HydrophobicContact CE3-CD2 3.84Å; W344-L347 HydrophobicContact CZ3-CD2 3.65Å
345	E	96.5	Very high	98	Very high	101 Å²	101	90.9 Å²	90.9	47%	0.472	47%	0.471	S	S	.	.	H	α-helix	trans	-70.7	-26.9	178.2	-167.9	167.2	-143.6	0	0	112.3	W323 R341	W323-E345 HydrophobicContact CH2-CB 4.07Å; W323-E345 HydrophobicContact CH2-CG 4.36Å; W323-E345 HydrophobicContact CZ3-CB 3.94Å; R341-E345 HydrophobicContact CG-CB 4.46Å; R341-E345 WeakPolarHBondContact CG-OE2 3.29Å; R341-E345 IonicContact CZ-OE1 2.67Å; R341-E345 IonicContact CZ-OE2 3.66Å; R341-E345 IonicContact NE-OE1 2.88Å; R341-E345 PolarHBondContact NE-OE1 2.96Å; R341-E345 IonicContact NE-OE2 3.96Å; R341-E345 PolarHBondContact NE-OE2 3.09Å; R341-E345 IonicContact NH2-OE1 2.74Å; R341-E345 PolarHBondContact NH2-OE1 3.36Å; R341-E345 IonicContact NH2-OE2 3.61Å; R341-E345 WeakPolarHBondContact O-CB 3.38Å; R341-E345 PolarHBondContact O-N 2.92Å
346	K	97.3	Very high	97.9	Very high	136 Å²	136	93.6 Å²	93.6	59%	0.591	49%	0.49	S	S	*	.	H	α-helix	trans	-101.6	-21.6	-179.5	-63.6	179.6	-177.6	176	0	113.7	E342 W344 Q348	E342-K346 HydrophobicContact CG-CD 3.92Å; E342-K346 WeakPolarHBondContact O-CB 3.26Å; E342-K346 WeakPolarHBondContact O-CG 3.37Å; E342-K346 PolarHBondContact O-N 3.03Å; E342-K346 IonicContact OE1-NZ 3.2Å; E342-K346 PolarHBondContact OE1-NZ 2.93Å; W344-K346 VanDerWaalsContact C-N 3.3Å; W344-K346 PolarHBondContact O-N 2.95Å; K346-Q348 PolarHBondContact O-N 3.5Å
347	L	98.3	Very high	97.9	Very high	62 Å²	62	93.8 Å²	93.8	33%	0.325	50%	0.504	S	S	.	.			trans	-60.6	125.7	178.4	178	67.7	0	0	0	109.2	Y343 W344 P349	Y343-L347 HydrophobicContact CE1-CD2 3.93Å; Y343-L347 VanDerWaalsContact O-CB 3.26Å; Y343-L347 WeakPolarHBondContact O-CB 3.41Å; Y343-L347 PolarHBondContact O-N 3.48Å; W344-L347 HydrophobicContact CE3-CD2 3.84Å; W344-L347 HydrophobicContact CZ3-CD2 3.65Å; L347-P349 VanDerWaalsContact O-CD 3.3Å; L347-P349 WeakPolarHBondContact O-CD 3.3Å
348	Q	97.3	Very high	97.8	Very high	160 Å²	160	96.5 Å²	96.5	75%	0.748	52%	0.52	S	S	*	.			trans	-95.2	101.5	167.5	-62.4	-60.4	-50.1	0	0	107.5	K346 A350	K346-Q348 PolarHBondContact O-N 3.5Å; Q348-A350 PolarHBondContact O-N 3.18Å
349	P	97	Very high	97.8	Very high	89 Å²	89	97.4 Å²	97.4	58%	0.578	53%	0.529	S	S	*	.			trans	-64.1	133.4	-177	-18.8	33.6	0	0	0	110.2	L347	L347-P349 VanDerWaalsContact O-CD 3.3Å; L347-P349 WeakPolarHBondContact O-CD 3.3Å
350	A	98.1	Very high	97.7	Very high	97 Å²	97	98 Å²	98	80%	0.802	53%	0.532	S	S	*	.			trans	-68.9	144.7	174.9	0	0	0	0	0	110.8	Q348 G352	Q348-A350 PolarHBondContact O-N 3.18Å; A350-G352 PolarHBondContact O-N 2.92Å
351	S	97.9	Very high	97.4	Very high	80 Å²	80	99.4 Å²	99.4	56%	0.559	54%	0.541	S	S	*	.			trans	-67.3	-22.7	177.1	70.1	0	0	0	0	113.7	R353	S351-R353 PolarHBondContact O-N 3.43Å; S351-R353 PolarHBondContact OG-N 2.8Å
352	G	98.3	Very high	97.1	Very high	69 Å²	69	95.3 Å²	95.3	71%	0.711	53%	0.528	S	S	*	.	S	Bend	trans	67.9	9.6	-172.8	0	0	0	0	0	114.4	A350	A350-G352 PolarHBondContact O-N 2.92Å
353	R	98	Very high	96.4	Very high	97 Å²	97	93.5 Å²	93.5	37%	0.366	52%	0.522	S	S	.	.			trans	-125.1	79	-176.3	-65.5	-176.2	175.7	96.5	-14.3	110.5	P265 S351 F355 C356	P265-R353 VanDerWaalsContact CG-CZ 3.45Å; S351-R353 PolarHBondContact O-N 3.43Å; S351-R353 PolarHBondContact OG-N 2.8Å; R353-F355 PolarHBondContact O-N 3.31Å; R353-C356 HydrophobicContact CB-CB 3.84Å; R353-C356 PolarHBondContact O-N 2.74Å
354	P	97.9	Very high	95.2	Very high	113 Å²	113	95.6 Å²	95.6	73%	0.734	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.8	-170	28.3	-36.1	0	0	0	114.5
355	F	97.9	Very high	93.7	Very high	201 Å²	201	96.5 Å²	96.5	88%	0.882	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	2.2	178.4	-54.8	-65.5	0	0	0	113.2	R353	R353-F355 PolarHBondContact O-N 3.31Å
356	C	97.6	Very high	92.2	Very high	75 Å²	75	94.8 Å²	94.8	51%	0.507	55%	0.549	S	S	.	.	S	Bend	trans	-102	144.2	178	-62.5	0	0	0	0	110.1	R353	R353-C356 HydrophobicContact CB-CB 3.84Å; R353-C356 PolarHBondContact O-N 2.74Å
357	P	97.6	Very high	90.8	Very high	103 Å²	103	90.1 Å²	90.1	67%	0.669	53%	0.533	S	S	*	.			trans	-68.3	163	171.9	33	-36.5	0	0	0	111.1	M359	P357-M359 WeakPolarHBondContact CB-O 3.29Å
358	S	97.5	Very high	89.5	Confident	113 Å²	113	89.8 Å²	89.8	79%	0.79	53%	0.533	S	S	*	.	S	Bend	trans	-82.4	-16.3	174.2	61.9	0	0	0	0	113.6
359	M	97.9	Very high	88.4	Confident	103 Å²	103	85.1 Å²	85.1	51%	0.507	51%	0.51	S	S	.	.			trans	-143.9	156.2	-178.4	-69	-173.5	-59.6	0	0	109.7	P246 D247 P357	P246-M359 HydrophobicContact CG-CG 4.3Å; P246-M359 HydrophobicContact CG-SD 4.26Å; D247-M359 HydrophobicContact CB-CB 3.93Å; D247-M359 HydrophobicContact CB-CG 4.07Å; D247-M359 HydrophobicContact CB-SD 4.21Å; D247-M359 VanDerWaalsContact OD2-CA 3.29Å; D247-M359 WeakPolarHBondContact OD2-CA 3.18Å; P357-M359 WeakPolarHBondContact CB-O 3.29Å
360	S	95.2	Very high	87	Confident	30 Å²	30	82.9 Å²	82.9	21%	0.21	50%	0.503	C	S	.	.			trans	-121.3	157.8	176.8	-69.1	0	0	0	0	109.8	D247 E258	D247-S360 WeakPolarHBondContact CB-O 3.4Å; D247-S360 PolarHBondContact OD2-N 3.14Å; E258-S360 WeakPolarHBondContact OE1-CB 3.26Å; E258-S360 PolarHBondContact OE1-OG 3.18Å
361	K	93.2	Very high	85.9	Confident	139 Å²	139	81.5 Å²	81.5	60%	0.604	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-87.7	125.7	171.2	-177.5	-173.8	169.5	-154.6	0	107.3	P257 N396 A397	P257-K361 WeakPolarHBondContact CD-O 3.45Å; P257-K361 WeakPolarHBondContact CG-O 3.13Å; K361-N396 PolarHBondContact NZ-O 3.26Å; K361-A397 PolarHBondContact NZ-O 2.77Å
362	P	91.6	Very high	84.8	Confident	22 Å²	22	80.9 Å²	80.9	14%	0.143	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-58.2	141.1	172.8	-23.9	32.8	0	0	0	111.2	D247 N249 D255 L256 N364	D247-P362 VanDerWaalsContact O-CD 3.31Å; D247-P362 WeakPolarHBondContact O-CD 3.49Å; D247-P362 WeakPolarHBondContact O-CG 3.36Å; N249-P362 HydrophobicContact CB-CB 4.41Å; N249-P362 HydrophobicContact CB-CG 4.2Å; D255-P362 HydrophobicContact CB-CB 3.94Å; D255-P362 CarbonylContact O-C 3.05Å; D255-P362 VanDerWaalsContact O-CA 3.26Å; D255-P362 WeakPolarHBondContact O-CA 3.18Å; L256-P362 HydrophobicContact CD2-CG 4.13Å; P362-N364 PolarHBondContact O-N 3.2Å
363	D	83.4	Confident	83.7	Confident	60 Å²	60	80.9 Å²	80.9	32%	0.321	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-64.6	127.9	167.2	-67.6	-27.4	0	0	0	108.2	D255	D255-D363 WeakPolarHBondContact CB-O 3.21Å; D255-D363 VanDerWaalsContact CG-O 3.27Å; D255-D363 PolarHBondContact O-N 2.97Å; D255-D363 VanDerWaalsContact OD2-O 3.08Å
364	N	72.1	Confident	82.4	Confident	104 Å²	104	79 Å²	79	56%	0.556	46%	0.46	S	S	*	.			trans	-116.4	99.6	-178.2	-174.8	8.2	0	0	0	110.6	P362 G366 N396	P362-N364 PolarHBondContact O-N 3.2Å; N364-G366 PolarHBondContact OD1-N 3.1Å; N364-N396 PolarHBondContact O-ND2 3.24Å; N364-N396 VanDerWaalsContact O-ND2 3.13Å
365	W	66.2	Low	81.3	Confident	73 Å²	73	78.2 Å²	78.2	28%	0.277	45%	0.448	S	S	.	.			trans	-93.9	-10.6	-178.6	-63.2	88	0	0	0	113.6	V367 L389 K392 A393	W365-V367 HydrophobicContact CB-CG1 4.14Å; W365-V367 HydrophobicContact CB-CG2 4.23Å; W365-V367 PolarHBondContact O-N 2.86Å; W365-V367 VanDerWaalsContact O-N 3.11Å; W365-L389 WeakPolarHBondContact CH2-O 3.29Å; W365-L389 HydrophobicContact CZ3-CD2 4.45Å; W365-K392 HydrophobicContact CE3-CB 3.91Å; W365-K392 HydrophobicContact CE3-CD 4.17Å; W365-K392 HydrophobicContact CH2-CB 3.83Å; W365-K392 HydrophobicContact CZ3-CB 3.15Å; W365-K392 HydrophobicContact CZ3-CD 3.84Å; W365-K392 HydrophobicContact CZ3-CG 4.16Å; W365-A393 HydrophobicContact CH2-CB 3.47Å; W365-A393 VanDerWaalsContact CH2-CB 3.47Å; W365-A393 VanDerWaalsContact CZ2-CA 3.41Å; W365-A393 HydrophobicContact CZ2-CB 3.38Å
366	G	65	Low	79.8	Confident	64 Å²	64	71.5 Å²	71.5	66%	0.66	42%	0.419	S	S	*	.			trans	58.5	21.8	-179.9	0	0	0	0	0	114.5	N364	N364-G366 PolarHBondContact OD1-N 3.1Å
367	V	67.9	Low	78.4	Confident	39 Å²	39	71.3 Å²	71.3	24%	0.236	41%	0.411	C	S	.	.			trans	-86.2	140.4	-178.2	-62.6	0	0	0	0	110.9	W365 H371 L374	W365-V367 HydrophobicContact CB-CG1 4.14Å; W365-V367 HydrophobicContact CB-CG2 4.23Å; W365-V367 PolarHBondContact O-N 2.86Å; W365-V367 VanDerWaalsContact O-N 3.11Å; V367-H371 HydrophobicContact CB-CB 4.3Å; V367-L374 HydrophobicContact CB-CD1 4.31Å; V367-L374 HydrophobicContact CB-CG 4.3Å; V367-L374 HydrophobicContact CG2-CD1 4.38Å; V367-L374 HydrophobicContact CG2-CD2 4.06Å; V367-L374 HydrophobicContact CG2-CG 4.33Å
368	T	72.6	Confident	76.9	Confident	55 Å²	55	74.4 Å²	74.4	34%	0.337	41%	0.414	S	S	.	.			trans	-145.9	176.9	177.1	-170.9	0	0	0	0	110.3	G370 H371 L374	T368-G370 PolarHBondContact O-N 3.42Å; T368-H371 WeakPolarHBondContact O-CB 3.23Å; T368-H371 PolarHBondContact O-N 3.31Å; T368-L374 VanDerWaalsContact O-CD1 3.31Å; T368-L374 WeakPolarHBondContact O-CD1 3.01Å
369	K	72.7	Confident	75.8	Confident	62 Å²	62	75.6 Å²	75.6	27%	0.27	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-38.7	130.5	179.4	-177.2	-174.8	-175.5	-179.7	0	112.1	Y120 E157 H371	Y120-K369 HydrophobicContact CD1-CD 4.38Å; Y120-K369 HydrophobicContact CE1-CD 3.71Å; Y120-K369 HydrophobicContact CE1-CG 4.35Å; Y120-K369 HydrophobicContact CE2-CD 4.35Å; Y120-K369 WeakPolarHBondContact O-CE 3.39Å; Y120-K369 PolarHBondContact OH-NZ 2.93Å; E157-K369 IonicContact OE2-NZ 2.82Å; E157-K369 PolarHBondContact OE2-NZ 2.97Å; K369-H371 VanDerWaalsContact C-N 3.32Å
370	G	67.9	Low	74.5	Confident	41 Å²	41	74 Å²	74	42%	0.423	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-4.6	-179.1	0	0	0	0	0	115.7	L121 T368	L121-G370 PolarHBondContact O-N 2.8Å; T368-G370 PolarHBondContact O-N 3.42Å
371	H	76.3	Confident	73.5	Confident	69 Å²	69	74.7 Å²	74.7	32%	0.319	41%	0.413	S	S	.	.			trans	-68.7	137.7	174.5	-166.7	-85.5	0	0	0	111.4	V367 T368 K369 D373 L374	V367-H371 HydrophobicContact CB-CB 4.3Å; T368-H371 WeakPolarHBondContact O-CB 3.23Å; T368-H371 PolarHBondContact O-N 3.31Å; K369-H371 VanDerWaalsContact C-N 3.32Å; H371-D373 IonicContact CE1-OD2 3.61Å; H371-D373 PolarHBondContact CE1-OD2 2.92Å; H371-D373 VanDerWaalsContact CE1-OD2 3.27Å; H371-D373 WeakPolarHBondContact ND1-CB 3.31Å; H371-D373 PolarHBondContact ND1-N 3.2Å; H371-D373 IonicContact ND1-OD2 3.85Å; H371-D373 PolarHBondContact O-N 3.13Å; H371-D373 VanDerWaalsContact O-N 3.16Å; H371-L374 HydrophobicContact CB-CD1 4.45Å; H371-L374 HydrophobicContact CB-CG 4.42Å; H371-L374 PolarHBondContact O-N 2.81Å
372	A	74.9	Confident	72.8	Confident	66 Å²	66	70.4 Å²	70.4	55%	0.545	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-57.3	-35.8	-174.7	0	0	0	0	0	113	L374 M375	A372-L374 PolarHBondContact O-N 3.26Å; A372-M375 PolarHBondContact O-N 3.1Å
373	D	74	Confident	72.2	Confident	70 Å²	70	78.2 Å²	78.2	37%	0.374	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-68.8	-16.7	178.9	-63.5	-16.6	0	0	0	113.3	H371 K392	H371-D373 IonicContact CE1-OD2 3.61Å; H371-D373 PolarHBondContact CE1-OD2 2.92Å; H371-D373 VanDerWaalsContact CE1-OD2 3.27Å; H371-D373 WeakPolarHBondContact ND1-CB 3.31Å; H371-D373 PolarHBondContact ND1-N 3.2Å; H371-D373 IonicContact ND1-OD2 3.85Å; H371-D373 PolarHBondContact O-N 3.13Å; H371-D373 VanDerWaalsContact O-N 3.16Å; D373-K392 IonicContact OD2-NZ 3.67Å; D373-K392 PolarHBondContact OD2-NZ 3.06Å
374	L	71.9	Confident	72.1	Confident	58 Å²	58	81.3 Å²	81.3	30%	0.304	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-95.8	-8.4	176.1	-61.9	-178.1	0	0	0	113.2	V367 T368 H371 A372 Q376	V367-L374 HydrophobicContact CB-CD1 4.31Å; V367-L374 HydrophobicContact CB-CG 4.3Å; V367-L374 HydrophobicContact CG2-CD1 4.38Å; V367-L374 HydrophobicContact CG2-CD2 4.06Å; V367-L374 HydrophobicContact CG2-CG 4.33Å; T368-L374 VanDerWaalsContact O-CD1 3.31Å; T368-L374 WeakPolarHBondContact O-CD1 3.01Å; H371-L374 HydrophobicContact CB-CD1 4.45Å; H371-L374 HydrophobicContact CB-CG 4.42Å; H371-L374 PolarHBondContact O-N 2.81Å; A372-L374 PolarHBondContact O-N 3.26Å; L374-Q376 PolarHBondContact O-N 3.21Å
375	M	73.5	Confident	72.4	Confident	96 Å²	96	79.7 Å²	79.7	47%	0.473	44%	0.438	S	S	.	.	S	Bend	trans	-70	132.7	-179.9	-63.7	-171.2	82.8	0	0	111	A372	A372-M375 PolarHBondContact O-N 3.1Å
376	Q	66.3	Low	73.2	Confident	60 Å²	60	79.2 Å²	79.2	28%	0.28	44%	0.44	S	S	.	.			trans	-64.4	144	179.4	-75.6	-165	-54	0	0	112.9	D75 P118 L374	D75-Q376 PolarHBondContact O-NE2 3.41Å; P118-Q376 HydrophobicContact CB-CG 3.46Å; P118-Q376 VanDerWaalsContact CB-CG 3.46Å; P118-Q376 HydrophobicContact CG-CG 4.45Å; L374-Q376 PolarHBondContact O-N 3.21Å
377	Q	68.2	Low	73.9	Confident	71 Å²	71	82.2 Å²	82.2	33%	0.332	44%	0.435	S	S	.	.			trans	-136.6	148.4	172.1	-59.7	175.5	13.4	0	0	108.5	R80	R80-Q377 WeakPolarHBondContact CG-O 3.46Å
378	K	67.1	Low	74.4	Confident	168 Å²	168	84.2 Å²	84.2	73%	0.73	45%	0.447	S	S	*	.	S	Bend	trans	-77.8	-37.6	178	-172	175.2	-178.9	175	0	112.4
379	E	72.8	Confident	74.7	Confident	138 Å²	138	84.2 Å²	84.2	65%	0.645	45%	0.445	S	S	*	.	S	Bend	trans	-81.8	147.6	-176.6	-58.5	-56.5	151	0	0	112	R80	R80-E379 WeakPolarHBondContact CD-O 3.48Å; R80-E379 VanDerWaalsContact CG-O 3.29Å; R80-E379 WeakPolarHBondContact CG-O 3.26Å; R80-E379 PolarHBondContact NH1-O 3.46Å
380	A	71.4	Confident	75	Confident	69 Å²	69	87.3 Å²	87.3	57%	0.57	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-54	144.3	171.5	0	0	0	0	0	110.7	S382	A380-S382 PolarHBondContact O-N 3.31Å; A380-S382 VanDerWaalsContact O-N 3.11Å
381	T	75.3	Confident	75.4	Confident	44 Å²	44	89.1 Å²	89.1	27%	0.27	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-56.1	120	178.4	-48.3	0	0	0	0	109.3	R80 Q385 L386 L389	R80-T381 VanDerWaalsContact NH1-CA 3.29Å; R80-T381 PolarHBondContact NH1-OG1 3.17Å; T381-Q385 HydrophobicContact CG2-CB 3.5Å; T381-L386 HydrophobicContact CG2-CD2 3.84Å; T381-L386 HydrophobicContact CG2-CG 3.81Å; T381-L389 HydrophobicContact CG2-CD1 4.33Å
382	S	77.6	Confident	75.1	Confident	50 Å²	50	89 Å²	89	35%	0.35	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-66	159.5	-176	79.3	0	0	0	0	110.7	A380 D384 Q385 L386	A380-S382 PolarHBondContact O-N 3.31Å; A380-S382 VanDerWaalsContact O-N 3.11Å; S382-D384 PolarHBondContact O-N 3.45Å; S382-D384 PolarHBondContact OG-N 2.92Å; S382-Q385 PolarHBondContact O-N 3.28Å; S382-Q385 VanDerWaalsContact O-N 3.15Å; S382-Q385 WeakPolarHBondContact OG-CG 3.1Å; S382-Q385 PolarHBondContact OG-N 2.85Å; S382-Q385 VanDerWaalsContact OG-N 3.16Å; S382-L386 WeakPolarHBondContact O-CB 3.48Å; S382-L386 WeakPolarHBondContact O-CG 3.45Å; S382-L386 PolarHBondContact O-N 3.34Å
383	K	79.4	Confident	74.8	Confident	186 Å²	186	87.3 Å²	87.3	81%	0.809	44%	0.443	S	S	*	.	H	α-helix	trans	-56	-34.8	175.9	-71.6	-175.3	178	179.9	0	112.3	K387	K383-K387 WeakPolarHBondContact O-CB 3.5Å; K383-K387 PolarHBondContact O-N 3.25Å
384	D	81.5	Confident	74.4	Confident	125 Å²	125	89 Å²	89	67%	0.668	46%	0.456	S	S	*	.	H	α-helix	trans	-72.6	-41.5	178.8	-61.7	-32.9	0	0	0	111.9	S382 K387 V388	S382-D384 PolarHBondContact O-N 3.45Å; S382-D384 PolarHBondContact OG-N 2.92Å; D384-K387 WeakPolarHBondContact O-CB 3.46Å; D384-K387 PolarHBondContact O-N 3.08Å; D384-V388 PolarHBondContact O-N 3.26Å
385	Q	78.3	Confident	73.9	Confident	70 Å²	70	93.6 Å²	93.6	33%	0.327	48%	0.476	S	S	.	.	H	α-helix	trans	-63.2	-42.8	173.2	-72.6	173.9	-32.9	0	0	111.1	T381 S382 K387 V388 L389	T381-Q385 HydrophobicContact CG2-CB 3.5Å; S382-Q385 PolarHBondContact O-N 3.28Å; S382-Q385 VanDerWaalsContact O-N 3.15Å; S382-Q385 WeakPolarHBondContact OG-CG 3.1Å; S382-Q385 PolarHBondContact OG-N 2.85Å; S382-Q385 VanDerWaalsContact OG-N 3.16Å; Q385-K387 VanDerWaalsContact C-N 3.31Å; Q385-K387 PolarHBondContact O-N 3.21Å; Q385-V388 PolarHBondContact O-N 3.41Å; Q385-L389 WeakPolarHBondContact O-CG 3.37Å; Q385-L389 PolarHBondContact O-N 3.31Å; Q385-L389 VanDerWaalsContact O-N 3.1Å
386	L	81.9	Confident	72.9	Confident	62 Å²	62	92.6 Å²	92.6	33%	0.325	47%	0.473	S	S	.	.	H	α-helix	trans	-61.1	-40.1	174.7	-74.7	173.6	0	0	0	111.7	T381 S382 V388 L389 F390	T381-L386 HydrophobicContact CG2-CD2 3.84Å; T381-L386 HydrophobicContact CG2-CG 3.81Å; S382-L386 WeakPolarHBondContact O-CB 3.48Å; S382-L386 WeakPolarHBondContact O-CG 3.45Å; S382-L386 PolarHBondContact O-N 3.34Å; L386-V388 PolarHBondContact O-N 3.24Å; L386-L389 PolarHBondContact O-N 2.78Å; L386-F390 HydrophobicContact CB-CD2 4.35Å; L386-F390 HydrophobicContact CB-CE2 3.85Å; L386-F390 HydrophobicContact CB-CZ 4.26Å; L386-F390 HydrophobicContact CD2-CZ 4.31Å; L386-F390 WeakPolarHBondContact O-CD2 3.21Å; L386-F390 WeakPolarHBondContact O-CG 3.17Å; L386-F390 PolarHBondContact O-N 3.37Å
387	K	79.5	Confident	72.1	Confident	127 Å²	127	95 Å²	95	55%	0.552	50%	0.503	S	S	*	.	H	α-helix	trans	-59.1	-46.2	176.8	-172.9	-177.3	177.4	-174	0	111.6	K383 D384 Q385 L389 F390 D391	K383-K387 WeakPolarHBondContact O-CB 3.5Å; K383-K387 PolarHBondContact O-N 3.25Å; D384-K387 WeakPolarHBondContact O-CB 3.46Å; D384-K387 PolarHBondContact O-N 3.08Å; Q385-K387 VanDerWaalsContact C-N 3.31Å; Q385-K387 PolarHBondContact O-N 3.21Å; K387-L389 VanDerWaalsContact C-N 3.3Å; K387-L389 PolarHBondContact O-N 2.62Å; K387-F390 PolarHBondContact O-N 3.17Å; K387-D391 WeakPolarHBondContact O-CB 3.41Å; K387-D391 PolarHBondContact O-N 3.36Å
388	V	78.5	Confident	72.3	Confident	81 Å²	81	96.2 Å²	96.2	49%	0.491	51%	0.511	S	S	.	.	H	α-helix	trans	-61.2	-40.3	176.9	175.6	0	0	0	0	111.6	D384 Q385 L386 K392	D384-V388 PolarHBondContact O-N 3.26Å; Q385-V388 PolarHBondContact O-N 3.41Å; L386-V388 PolarHBondContact O-N 3.24Å; V388-K392 WeakPolarHBondContact O-CG 3.49Å; V388-K392 PolarHBondContact O-N 3.44Å
389	L	80	Confident	72.6	Confident	55 Å²	55	92.4 Å²	92.4	29%	0.288	50%	0.5	S	S	.	.	H	α-helix	trans	-63.9	-53	174	-65.4	172.6	0	0	0	110.2	W365 T381 Q385 L386 K387 D391 K392 A393	W365-L389 WeakPolarHBondContact CH2-O 3.29Å; W365-L389 HydrophobicContact CZ3-CD2 4.45Å; T381-L389 HydrophobicContact CG2-CD1 4.33Å; Q385-L389 WeakPolarHBondContact O-CG 3.37Å; Q385-L389 PolarHBondContact O-N 3.31Å; Q385-L389 VanDerWaalsContact O-N 3.1Å; L386-L389 PolarHBondContact O-N 2.78Å; K387-L389 VanDerWaalsContact C-N 3.3Å; K387-L389 PolarHBondContact O-N 2.62Å; L389-D391 VanDerWaalsContact C-N 3.27Å; L389-D391 PolarHBondContact O-N 3.46Å; L389-K392 WeakPolarHBondContact O-CB 3.41Å; L389-K392 PolarHBondContact O-N 3.3Å; L389-A393 PolarHBondContact O-N 3.07Å
390	F	79	Confident	72.6	Confident	127 Å²	127	89.9 Å²	89.9	56%	0.557	49%	0.492	S	S	*	.	H	α-helix	trans	-56.4	-38.8	179.3	-62.7	-36.9	0	0	0	113.5	L386 K387 A393 T394	L386-F390 HydrophobicContact CB-CD2 4.35Å; L386-F390 HydrophobicContact CB-CE2 3.85Å; L386-F390 HydrophobicContact CB-CZ 4.26Å; L386-F390 HydrophobicContact CD2-CZ 4.31Å; L386-F390 WeakPolarHBondContact O-CD2 3.21Å; L386-F390 WeakPolarHBondContact O-CG 3.17Å; L386-F390 PolarHBondContact O-N 3.37Å; K387-F390 PolarHBondContact O-N 3.17Å; F390-A393 WeakPolarHBondContact O-CB 3.32Å; F390-A393 PolarHBondContact O-N 3.42Å; F390-T394 PolarHBondContact O-N 3.33Å; F390-T394 VanDerWaalsContact O-N 3.08Å; F390-T394 PolarHBondContact O-OG1 3.08Å
391	D	75.2	Confident	72.6	Confident	80 Å²	80	91.1 Å²	91.1	43%	0.428	49%	0.487	S	S	.	.	H	α-helix	trans	-63.1	-43.5	177.1	-70.3	-18.8	0	0	0	111.3	K387 L389 T394 Q395	K387-D391 WeakPolarHBondContact O-CB 3.41Å; K387-D391 PolarHBondContact O-N 3.36Å; L389-D391 VanDerWaalsContact C-N 3.27Å; L389-D391 PolarHBondContact O-N 3.46Å; D391-T394 PolarHBondContact O-N 3.15Å; D391-Q395 WeakPolarHBondContact O-CG 3.46Å; D391-Q395 PolarHBondContact O-N 3.22Å
392	K	71.8	Confident	72.5	Confident	67 Å²	67	94.1 Å²	94.1	29%	0.291	50%	0.501	S	S	.	.	H	α-helix	trans	-66.4	-39.3	174.7	-76.6	-179.8	-175.5	-175.5	0	112.4	W365 D373 V388 L389 T394 Q395 N396	W365-K392 HydrophobicContact CE3-CB 3.91Å; W365-K392 HydrophobicContact CE3-CD 4.17Å; W365-K392 HydrophobicContact CH2-CB 3.83Å; W365-K392 HydrophobicContact CZ3-CB 3.15Å; W365-K392 HydrophobicContact CZ3-CD 3.84Å; W365-K392 HydrophobicContact CZ3-CG 4.16Å; D373-K392 IonicContact OD2-NZ 3.67Å; D373-K392 PolarHBondContact OD2-NZ 3.06Å; V388-K392 WeakPolarHBondContact O-CG 3.49Å; V388-K392 PolarHBondContact O-N 3.44Å; L389-K392 WeakPolarHBondContact O-CB 3.41Å; L389-K392 PolarHBondContact O-N 3.3Å; K392-T394 VanDerWaalsContact C-N 3.25Å; K392-T394 PolarHBondContact O-N 3.21Å; K392-Q395 PolarHBondContact O-N 2.9Å; K392-Q395 VanDerWaalsContact O-N 3.15Å; K392-N396 PolarHBondContact O-N 3.18Å
393	A	66.6	Low	72.1	Confident	29 Å²	29	97 Å²	97	24%	0.24	51%	0.511	C	S	.	.	H	α-helix	trans	-57.8	-44.2	177	0	0	0	0	0	110.5	W365 L389 F390 Q395 N396 A397	W365-A393 HydrophobicContact CH2-CB 3.47Å; W365-A393 VanDerWaalsContact CH2-CB 3.47Å; W365-A393 VanDerWaalsContact CZ2-CA 3.41Å; W365-A393 HydrophobicContact CZ2-CB 3.38Å; L389-A393 PolarHBondContact O-N 3.07Å; F390-A393 WeakPolarHBondContact O-CB 3.32Å; F390-A393 PolarHBondContact O-N 3.42Å; A393-Q395 VanDerWaalsContact C-N 3.3Å; A393-Q395 PolarHBondContact O-N 2.8Å; A393-N396 PolarHBondContact O-N 3.18Å; A393-A397 WeakPolarHBondContact O-CB 3.47Å; A393-A397 PolarHBondContact O-N 3.19Å; A393-A397 VanDerWaalsContact O-N 3.07Å
394	T	66.8	Low	71.6	Confident	106 Å²	106	90.6 Å²	90.6	65%	0.65	49%	0.49	S	S	*	.	H	α-helix	trans	-70.2	-26.3	-178.9	-48.1	0	0	0	0	112.6	F390 D391 K392	F390-T394 PolarHBondContact O-N 3.33Å; F390-T394 VanDerWaalsContact O-N 3.08Å; F390-T394 PolarHBondContact O-OG1 3.08Å; D391-T394 PolarHBondContact O-N 3.15Å; K392-T394 VanDerWaalsContact C-N 3.25Å; K392-T394 PolarHBondContact O-N 3.21Å
395	Q	61.6	Low	70.8	Confident	154 Å²	154	88 Å²	88	72%	0.72	48%	0.476	S	S	*	.	H	α-helix	trans	-80.2	-26.1	177.2	-72.6	172.1	18	0	0	113.4	D391 K392 A393	D391-Q395 WeakPolarHBondContact O-CG 3.46Å; D391-Q395 PolarHBondContact O-N 3.22Å; K392-Q395 PolarHBondContact O-N 2.9Å; K392-Q395 VanDerWaalsContact O-N 3.15Å; A393-Q395 VanDerWaalsContact C-N 3.3Å; A393-Q395 PolarHBondContact O-N 2.8Å
396	N	51.5	Low	70.2	Confident	75 Å²	75	89.5 Å²	89.5	40%	0.401	49%	0.488	S	S	.	.	H	α-helix	trans	-97.1	-16.7	-178.6	-71.1	-23.3	0	0	0	113.8	K361 N364 K392 A393	K361-N396 PolarHBondContact NZ-O 3.26Å; N364-N396 PolarHBondContact O-ND2 3.24Å; N364-N396 VanDerWaalsContact O-ND2 3.13Å; K392-N396 PolarHBondContact O-N 3.18Å; A393-N396 PolarHBondContact O-N 3.18Å
397	A	50.4	Low	69.2	Low	111 Å²	111	92 Å²	92	92%	0.917	50%	0.503	S	S	*	.			trans	-64.6	0	168.6	0	0	0	0	0	110.5	K361 A393	K361-A397 PolarHBondContact NZ-O 2.77Å; A393-A397 WeakPolarHBondContact O-CB 3.47Å; A393-A397 PolarHBondContact O-N 3.19Å; A393-A397 VanDerWaalsContact O-N 3.07Å

Retrieved 397 of 397 residues in 284.9 ms (Link to these results)

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