A0A077Z7T6_TRITR Loading...

Leucine carboxyl methyltransferase 1

Methylates the carboxyl group of the C-terminal leucine residue of protein phosphatase 2A catalytic subunits to form alpha-leucine ester residues.

AlphaFold DB , UniProt , Accession A0A077Z7T6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 344 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	39.4	Very low	39.8	Very low	195 Å²	195	88.3 Å²	88.3	96%	0.961	43%	0.426	S	S	*	.				0	-48.7	0	-76.4	-169.3	-60.9	0	0	112.3	H4 K5	M1-H4 WeakPolarHBondContact O-CB 3.49Å; M1-H4 PolarHBondContact O-N 3.12Å; M1-H4 VanDerWaalsContact O-N 3.14Å; M1-K5 PolarHBondContact O-N 3.22Å
2	E	33.3	Very low	40.3	Very low	160 Å²	160	82.3 Å²	82.3	75%	0.748	40%	0.396	S	S	*	.	H	α-helix	trans	-65.6	-44.3	-179.8	-155.1	151.5	-156.7	0	0	112.6	H4 K5 Q6	E2-H4 PolarHBondContact O-N 3.18Å; E2-K5 PolarHBondContact O-N 2.79Å; E2-Q6 WeakPolarHBondContact O-CB 3.28Å; E2-Q6 PolarHBondContact O-N 3.31Å
3	K	40.5	Very low	40.6	Very low	173 Å²	173	79 Å²	79	75%	0.752	38%	0.379	S	S	*	.	H	α-helix	trans	-59.5	-27.6	169.2	-72.8	-170.4	176.4	-172	0	114.8	A7	K3-A7 WeakPolarHBondContact O-CB 3.22Å; K3-A7 PolarHBondContact O-N 3.39Å
4	H	41.1	Very low	39.9	Very low	81 Å²	81	78.9 Å²	78.9	38%	0.375	38%	0.381	S	S	.	.	H	α-helix	trans	-75.6	-42.3	176.6	-108.4	-72	0	0	0	111.5	M1 E2 Q6 L8	M1-H4 WeakPolarHBondContact O-CB 3.49Å; M1-H4 PolarHBondContact O-N 3.12Å; M1-H4 VanDerWaalsContact O-N 3.14Å; E2-H4 PolarHBondContact O-N 3.18Å; H4-Q6 VanDerWaalsContact C-N 3.3Å; H4-L8 WeakPolarHBondContact O-CB 3.14Å; H4-L8 WeakPolarHBondContact O-CG 3.15Å; H4-L8 PolarHBondContact O-N 3.17Å; H4-L8 VanDerWaalsContact O-N 3.13Å
5	K	39.3	Very low	39.6	Very low	152 Å²	152	79.9 Å²	79.9	66%	0.661	40%	0.397	S	S	*	.	H	α-helix	trans	-64	-40.8	171.6	-71	-176.1	175.5	-176.1	0	110.7	M1 E2 S9	M1-K5 PolarHBondContact O-N 3.22Å; E2-K5 PolarHBondContact O-N 2.79Å; K5-S9 WeakPolarHBondContact O-CB 3.44Å; K5-S9 PolarHBondContact O-N 2.96Å
6	Q	34.5	Very low	39	Very low	104 Å²	104	85.3 Å²	85.3	49%	0.486	42%	0.421	S	S	.	.	H	α-helix	trans	-71	-45.2	-179.5	-152.1	155.5	20.9	0	0	110.4	E2 H4 L8 S9 N10	E2-Q6 WeakPolarHBondContact O-CB 3.28Å; E2-Q6 PolarHBondContact O-N 3.31Å; H4-Q6 VanDerWaalsContact C-N 3.3Å; Q6-L8 PolarHBondContact O-N 3.27Å; Q6-S9 CarbonylContact O-C 3.29Å; Q6-S9 VanDerWaalsContact O-C 3.29Å; Q6-S9 WeakPolarHBondContact O-CA 3.37Å; Q6-S9 WeakPolarHBondContact O-CB 2.83Å; Q6-S9 PolarHBondContact O-N 2.83Å; Q6-N10 WeakPolarHBondContact CG-ND2 3.37Å; Q6-N10 WeakPolarHBondContact O-CA 3.18Å; Q6-N10 WeakPolarHBondContact O-CB 3.42Å; Q6-N10 PolarHBondContact O-N 2.93Å; Q6-N10 PolarHBondContact O-OD1 3.27Å
7	A	40.6	Very low	38.8	Very low	26 Å²	26	86.1 Å²	86.1	22%	0.215	44%	0.437	C	S	.	.	H	α-helix	trans	-68.6	-33.2	178.3	0	0	0	0	0	114.1	K3 S9 N10 S11 L316	K3-A7 WeakPolarHBondContact O-CB 3.22Å; K3-A7 PolarHBondContact O-N 3.39Å; A7-S9 VanDerWaalsContact C-N 3.3Å; A7-N10 PolarHBondContact O-N 3.03Å; A7-S11 WeakPolarHBondContact O-CB 3.36Å; A7-S11 PolarHBondContact O-N 3.31Å; A7-S11 PolarHBondContact O-OG 3.07Å; A7-L316 HydrophobicContact CB-CD1 3.28Å; A7-L316 HydrophobicContact CB-CD2 4.19Å; A7-L316 HydrophobicContact CB-CG 4.36Å
8	L	40.7	Very low	38.6	Very low	13 Å²	13	89.8 Å²	89.8	7%	0.068	46%	0.458	C	S	.	.	H	α-helix	trans	-72.5	-24.2	169.1	-69.4	167.6	0	0	0	112.7	H4 Q6 S11 F12 F245 I248 Q319	H4-L8 WeakPolarHBondContact O-CB 3.14Å; H4-L8 WeakPolarHBondContact O-CG 3.15Å; H4-L8 PolarHBondContact O-N 3.17Å; H4-L8 VanDerWaalsContact O-N 3.13Å; Q6-L8 PolarHBondContact O-N 3.27Å; L8-S11 PolarHBondContact O-OG 3.25Å; L8-F12 WeakPolarHBondContact O-CD2 3.3Å; L8-F245 HydrophobicContact CD2-CD2 3.85Å; L8-F245 HydrophobicContact CD2-CE2 3.91Å; L8-I248 HydrophobicContact CB-CG2 4.19Å; L8-I248 HydrophobicContact CD1-CD1 4.17Å; L8-Q319 HydrophobicContact CD2-CG 4.26Å
9	S	41.7	Very low	38.4	Very low	23 Å²	23	91.2 Å²	91.2	16%	0.161	49%	0.485	C	S	.	.	H	α-helix	trans	-86.3	-16.6	171.2	179.6	0	0	0	0	113.7	K5 Q6 A7 N252	K5-S9 WeakPolarHBondContact O-CB 3.44Å; K5-S9 PolarHBondContact O-N 2.96Å; Q6-S9 CarbonylContact O-C 3.29Å; Q6-S9 VanDerWaalsContact O-C 3.29Å; Q6-S9 WeakPolarHBondContact O-CA 3.37Å; Q6-S9 WeakPolarHBondContact O-CB 2.83Å; Q6-S9 PolarHBondContact O-N 2.83Å; A7-S9 VanDerWaalsContact C-N 3.3Å; S9-N252 WeakPolarHBondContact CA-ND2 3.38Å; S9-N252 PolarHBondContact OG-OD1 3.31Å
10	N	41	Very low	38.7	Very low	29 Å²	29	90.4 Å²	90.4	16%	0.155	49%	0.486	C	S	.	.	H	α-helix	trans	-109.7	-24.6	-172.7	-65.6	10.9	0	0	0	111.1	Q6 A7 F12 I14	Q6-N10 WeakPolarHBondContact CG-ND2 3.37Å; Q6-N10 WeakPolarHBondContact O-CA 3.18Å; Q6-N10 WeakPolarHBondContact O-CB 3.42Å; Q6-N10 PolarHBondContact O-N 2.93Å; Q6-N10 PolarHBondContact O-OD1 3.27Å; A7-N10 PolarHBondContact O-N 3.03Å; N10-F12 PolarHBondContact O-N 2.85Å; N10-F12 VanDerWaalsContact O-N 3.08Å; N10-I14 HydrophobicContact CB-CD1 3.91Å; N10-I14 HydrophobicContact CB-CG1 4.49Å; N10-I14 WeakPolarHBondContact ND2-CD1 3.11Å; N10-I14 WeakPolarHBondContact OD1-CD1 3.43Å
11	S	46	Very low	39	Very low	15 Å²	15	93.4 Å²	93.4	11%	0.105	50%	0.502	C	S	.	.	S	Bend	trans	-57.1	-16.8	163.8	59.6	0	0	0	0	111.5	A7 L8 M70	A7-S11 WeakPolarHBondContact O-CB 3.36Å; A7-S11 PolarHBondContact O-N 3.31Å; A7-S11 PolarHBondContact O-OG 3.07Å; L8-S11 PolarHBondContact O-OG 3.25Å; S11-M70 WeakPolarHBondContact O-CE 3.3Å
12	F	45.6	Very low	39.8	Very low	16 Å²	16	90.3 Å²	90.3	7%	0.07	50%	0.496	C	S	.	.	S	Bend	trans	-124.7	98	174.2	-59.4	-65.7	0	0	0	109.5	L8 N10 F245 F249 L320 Y324	L8-F12 WeakPolarHBondContact O-CD2 3.3Å; N10-F12 PolarHBondContact O-N 2.85Å; N10-F12 VanDerWaalsContact O-N 3.08Å; F12-F245 HydrophobicContact CE2-CE2 4.11Å; F12-F245 AromaticContact CE2-CZ 3.69Å; F12-F245 HydrophobicContact CE2-CZ 3.69Å; F12-F245 AromaticContact CZ-CZ 3.8Å; F12-F245 HydrophobicContact CZ-CZ 3.8Å; F12-F249 HydrophobicContact CD1-CD2 4.26Å; F12-F249 AromaticContact CD1-CE2 3.81Å; F12-F249 HydrophobicContact CD1-CE2 3.81Å; F12-F249 AromaticContact CD2-CD2 3.91Å; F12-F249 HydrophobicContact CD2-CD2 3.91Å; F12-F249 HydrophobicContact CD2-CE2 4.29Å; F12-F249 HydrophobicContact CE1-CD2 4.13Å; F12-F249 AromaticContact CE1-CE2 3.71Å; F12-F249 HydrophobicContact CE1-CE2 3.71Å; F12-F249 AromaticContact CE2-CD2 3.75Å; F12-F249 HydrophobicContact CE2-CD2 3.75Å; F12-F249 HydrophobicContact CE2-CE2 4.2Å; F12-F249 HydrophobicContact CG-CD2 4.17Å; F12-F249 HydrophobicContact CG-CE2 4.11Å; F12-F249 AromaticContact CZ-CD2 3.86Å; F12-F249 HydrophobicContact CZ-CD2 3.86Å; F12-F249 AromaticContact CZ-CE2 3.91Å; F12-F249 HydrophobicContact CZ-CE2 3.91Å; F12-L320 HydrophobicContact CE1-CD1 4.13Å; F12-L320 HydrophobicContact CE2-CD1 4.16Å; F12-L320 HydrophobicContact CZ-CD1 3.44Å; F12-L320 VanDerWaalsContact CZ-CD1 3.44Å; F12-Y324 HydrophobicContact CE1-CE2 4.03Å; F12-Y324 WeakPolarHBondContact CE1-OH 3.18Å; F12-Y324 AromaticContact CZ-CE2 3.87Å; F12-Y324 HydrophobicContact CZ-CE2 3.87Å
13	F	43.8	Very low	41.4	Very low	40 Å²	40	86.9 Å²	86.9	18%	0.175	48%	0.48	C	S	.	.			trans	57	72.3	148.6	-46.6	-70.3	0	0	0	116.8	D35	F13-D35 HydrophobicContact CD1-CB 3.39Å; F13-D35 HydrophobicContact CE1-CB 3.41Å; F13-D35 VanDerWaalsContact CE1-CB 3.41Å
14	I	30.5	Very low	43.4	Very low	78 Å²	78	81 Å²	81	40%	0.4	46%	0.46	S	S	.	.			trans	-91.4	116.1	157.2	-62.6	168	0	0	0	110.3	N10	N10-I14 HydrophobicContact CB-CD1 3.91Å; N10-I14 HydrophobicContact CB-CG1 4.49Å; N10-I14 WeakPolarHBondContact ND2-CD1 3.11Å; N10-I14 WeakPolarHBondContact OD1-CD1 3.43Å
15	C	35.6	Very low	45.4	Very low	93 Å²	93	79.8 Å²	79.8	63%	0.628	45%	0.454	S	S	*	.				-155.7	139.5	118.6	-156.1	0	0	0	0	109	S17	C15-S17 PolarHBondContact O-N 3.05Å
16	E	30	Very low	47.6	Very low	166 Å²	166	75 Å²	75	78%	0.776	43%	0.434	S	S	*	.			trans	-68	114.3	164.5	-70.8	175.2	164.8	0	0	107.1
17	S	36.1	Very low	50.1	Low	99 Å²	99	74.2 Å²	74.2	69%	0.692	43%	0.431	S	S	*	.			trans	-80.3	130.3	166.5	56.2	0	0	0	0	108.6	C15	C15-S17 PolarHBondContact O-N 3.05Å
18	D	34.9	Very low	52.3	Low	154 Å²	154	76.2 Å²	76.2	82%	0.824	43%	0.434	S	S	*	.			trans	-44.4	144.4	172.4	-78.2	-43.9	0	0	0	111.8	S20	D18-S20 VanDerWaalsContact C-N 3.32Å; D18-S20 PolarHBondContact O-N 3.16Å; D18-S20 PolarHBondContact O-OG 3.31Å
19	A	35.6	Very low	54.4	Low	116 Å²	116	76.4 Å²	76.4	96%	0.959	44%	0.436	S	S	*	.			trans	-51.6	90.4	-178.6	0	0	0	0	0	111.6
20	S	43.4	Very low	56.6	Low	74 Å²	74	76.3 Å²	76.3	52%	0.517	43%	0.433	S	S	.	.			trans	-100.3	161.2	171.8	48.8	0	0	0	0	109.3	D18	D18-S20 VanDerWaalsContact C-N 3.32Å; D18-S20 PolarHBondContact O-N 3.16Å; D18-S20 PolarHBondContact O-OG 3.31Å
21	L	46	Very low	58.8	Low	155 Å²	155	76.1 Å²	76.1	81%	0.812	44%	0.437	S	S	*	.	S	Bend	trans	-45.9	149	179.3	-70.9	163.5	0	0	0	111.8	Q23	L21-Q23 PolarHBondContact O-N 3.11Å
22	P	54.7	Low	60.9	Low	129 Å²	129	76 Å²	76	84%	0.838	44%	0.436	S	S	*	.			trans	-57.2	109.6	-176.9	21.8	-31.7	0	0	0	110.9
23	Q	68.3	Low	63.2	Low	89 Å²	89	76.2 Å²	76.2	42%	0.416	44%	0.438	S	S	.	.			trans	-76.2	144	174.2	-66.8	175.9	15.2	0	0	110.3	L21 E27 K28	L21-Q23 PolarHBondContact O-N 3.11Å; Q23-E27 WeakPolarHBondContact CA-OE2 3.42Å; Q23-E27 HydrophobicContact CB-CB 4.09Å; Q23-E27 WeakPolarHBondContact CB-OE2 3.1Å; Q23-K28 HydrophobicContact CB-CG 4.05Å
24	S	82.8	Confident	65.5	Low	48 Å²	48	76.8 Å²	76.8	34%	0.336	44%	0.443	S	S	.	.			trans	-64.1	163.8	172.2	77.1	0	0	0	0	111.5	E26 E27 K28	S24-E26 VanDerWaalsContact C-N 3.29Å; S24-E26 PolarHBondContact O-N 3.03Å; S24-E27 PolarHBondContact N-OE2 3.44Å; S24-E27 PolarHBondContact O-N 3.09Å; S24-E27 WeakPolarHBondContact OG-CB 3.39Å; S24-E27 VanDerWaalsContact OG-CG 3.29Å; S24-E27 WeakPolarHBondContact OG-CG 3.37Å; S24-E27 PolarHBondContact OG-N 2.83Å; S24-K28 WeakPolarHBondContact O-CG 3.27Å; S24-K28 PolarHBondContact O-N 3.24Å; S24-K28 VanDerWaalsContact O-N 3.14Å
25	F	82.2	Confident	68.3	Low	56 Å²	56	73.8 Å²	73.8	25%	0.246	43%	0.427	C	S	.	.	H	α-helix	trans	-59.4	-44.2	174.8	170.5	-124.2	0	0	0	111	E27 K28 I29 I258 P259	F25-E27 PolarHBondContact O-N 3.37Å; F25-K28 PolarHBondContact O-N 2.83Å; F25-I29 HydrophobicContact CD1-CD1 3.76Å; F25-I29 HydrophobicContact CD2-CD1 4.03Å; F25-I29 HydrophobicContact CD2-CG1 4.18Å; F25-I29 HydrophobicContact CE1-CD1 3.32Å; F25-I29 HydrophobicContact CE1-CG1 4.39Å; F25-I29 HydrophobicContact CE2-CD1 3.59Å; F25-I29 HydrophobicContact CE2-CG1 3.77Å; F25-I29 HydrophobicContact CG-CD1 4.12Å; F25-I29 HydrophobicContact CZ-CD1 3.25Å; F25-I29 HydrophobicContact CZ-CG1 3.93Å; F25-I29 WeakPolarHBondContact O-CG1 3.44Å; F25-I29 PolarHBondContact O-N 3.16Å; F25-I258 HydrophobicContact CE2-CG2 4.45Å; F25-P259 HydrophobicContact CD2-CG 3.8Å; F25-P259 HydrophobicContact CE2-CG 3.39Å; F25-P259 HydrophobicContact CZ-CG 3.97Å
26	E	84.9	Confident	71	Confident	52 Å²	52	70.1 Å²	70.1	24%	0.243	40%	0.404	C	S	.	.	H	α-helix	trans	-62.4	-40.3	178.2	-68.2	72.5	-162.5	0	0	111.9	S24 K28 I29 Q30 F127 R179	S24-E26 VanDerWaalsContact C-N 3.29Å; S24-E26 PolarHBondContact O-N 3.03Å; E26-K28 VanDerWaalsContact C-N 3.33Å; E26-K28 PolarHBondContact O-N 3.19Å; E26-I29 PolarHBondContact O-N 3.15Å; E26-Q30 WeakPolarHBondContact O-CG 3.22Å; E26-Q30 PolarHBondContact O-N 2.88Å; E26-Q30 PolarHBondContact O-NE2 2.96Å; E26-F127 HydrophobicContact CB-CZ 4.49Å; E26-F127 HydrophobicContact CG-CE1 4.15Å; E26-F127 HydrophobicContact CG-CZ 4.12Å; E26-R179 IonicContact OE1-CZ 3.88Å; E26-R179 IonicContact OE1-NH1 3.16Å; E26-R179 PolarHBondContact OE1-NH1 2.8Å; E26-R179 IonicContact OE1-NH2 3.21Å; E26-R179 PolarHBondContact OE1-NH2 3.27Å
27	E	86.8	Confident	74.1	Confident	88 Å²	88	62.4 Å²	62.4	41%	0.411	37%	0.368	S	S	.	.	H	α-helix	trans	-62.7	-39.6	175.1	-76	171.2	161.8	0	0	111.8	Q23 S24 F25 Q30 G31	Q23-E27 WeakPolarHBondContact CA-OE2 3.42Å; Q23-E27 HydrophobicContact CB-CB 4.09Å; Q23-E27 WeakPolarHBondContact CB-OE2 3.1Å; S24-E27 PolarHBondContact N-OE2 3.44Å; S24-E27 PolarHBondContact O-N 3.09Å; S24-E27 WeakPolarHBondContact OG-CB 3.39Å; S24-E27 VanDerWaalsContact OG-CG 3.29Å; S24-E27 WeakPolarHBondContact OG-CG 3.37Å; S24-E27 PolarHBondContact OG-N 2.83Å; F25-E27 PolarHBondContact O-N 3.37Å; E27-Q30 WeakPolarHBondContact O-CB 3.48Å; E27-Q30 PolarHBondContact O-N 2.93Å; E27-G31 PolarHBondContact O-N 3.31Å
28	K	87.1	Confident	76.8	Confident	67 Å²	67	58.6 Å²	58.6	29%	0.291	34%	0.34	S	S	.	.	H	α-helix	trans	-69.5	-38.2	176.6	-66.4	178	-177	-178.6	0	112.5	Q23 S24 F25 E26 Q30 G31 T32 G257 I258	Q23-K28 HydrophobicContact CB-CG 4.05Å; S24-K28 WeakPolarHBondContact O-CG 3.27Å; S24-K28 PolarHBondContact O-N 3.24Å; S24-K28 VanDerWaalsContact O-N 3.14Å; F25-K28 PolarHBondContact O-N 2.83Å; E26-K28 VanDerWaalsContact C-N 3.33Å; E26-K28 PolarHBondContact O-N 3.19Å; K28-Q30 VanDerWaalsContact C-N 3.33Å; K28-G31 PolarHBondContact O-N 3.23Å; K28-T32 PolarHBondContact O-N 3.05Å; K28-G257 VanDerWaalsContact CD-O 3.23Å; K28-G257 WeakPolarHBondContact CD-O 3.2Å; K28-I258 HydrophobicContact CB-CG1 3.77Å
29	I	84.7	Confident	79.6	Confident	18 Å²	18	52 Å²	52	9%	0.092	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-47.3	171.2	-67.7	163.4	0	0	0	109.5	F25 E26 G31 T32 F127 Y210 I258	F25-I29 HydrophobicContact CD1-CD1 3.76Å; F25-I29 HydrophobicContact CD2-CD1 4.03Å; F25-I29 HydrophobicContact CD2-CG1 4.18Å; F25-I29 HydrophobicContact CE1-CD1 3.32Å; F25-I29 HydrophobicContact CE1-CG1 4.39Å; F25-I29 HydrophobicContact CE2-CD1 3.59Å; F25-I29 HydrophobicContact CE2-CG1 3.77Å; F25-I29 HydrophobicContact CG-CD1 4.12Å; F25-I29 HydrophobicContact CZ-CD1 3.25Å; F25-I29 HydrophobicContact CZ-CG1 3.93Å; F25-I29 WeakPolarHBondContact O-CG1 3.44Å; F25-I29 PolarHBondContact O-N 3.16Å; E26-I29 PolarHBondContact O-N 3.15Å; I29-G31 PolarHBondContact O-N 3.39Å; I29-T32 VanDerWaalsContact O-CB 3.32Å; I29-T32 WeakPolarHBondContact O-CB 3.26Å; I29-T32 PolarHBondContact O-N 3.02Å; I29-T32 PolarHBondContact O-OG1 2.98Å; I29-F127 HydrophobicContact CG2-CE2 4.21Å; I29-Y210 HydrophobicContact CG1-CD1 4.11Å; I29-Y210 HydrophobicContact CG1-CG 4.44Å; I29-Y210 HydrophobicContact CG2-CD1 4.48Å; I29-Y210 HydrophobicContact CG2-CD2 4.21Å; I29-Y210 HydrophobicContact CG2-CE2 4.3Å; I29-Y210 HydrophobicContact CG2-CG 4.29Å; I29-I258 HydrophobicContact CG1-CG2 4.32Å
30	Q	88	Confident	82.5	Confident	21 Å²	21	47.1 Å²	47.1	10%	0.098	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-33.4	177.6	-69.7	166.9	44.1	0	0	112.3	E26 E27 K28 T32 N33 F127 N129 I130	E26-Q30 WeakPolarHBondContact O-CG 3.22Å; E26-Q30 PolarHBondContact O-N 2.88Å; E26-Q30 PolarHBondContact O-NE2 2.96Å; E27-Q30 WeakPolarHBondContact O-CB 3.48Å; E27-Q30 PolarHBondContact O-N 2.93Å; K28-Q30 VanDerWaalsContact C-N 3.33Å; Q30-T32 PolarHBondContact O-N 2.93Å; Q30-N33 VanDerWaalsContact O-CB 3.31Å; Q30-N33 WeakPolarHBondContact O-CB 3.48Å; Q30-N33 PolarHBondContact O-N 3.46Å; Q30-F127 HydrophobicContact CG-CB 4.24Å; Q30-F127 HydrophobicContact CG-CD2 3.77Å; Q30-F127 HydrophobicContact CG-CG 4.31Å; Q30-N129 PolarHBondContact OE1-ND2 3.3Å; Q30-I130 HydrophobicContact CB-CD1 3.96Å; Q30-I130 HydrophobicContact CB-CG1 4.44Å; Q30-I130 HydrophobicContact CG-CD1 4.07Å; Q30-I130 HydrophobicContact CG-CG1 3.99Å
31	G	87.9	Confident	84.9	Confident	24 Å²	24	44.4 Å²	44.4	25%	0.247	24%	0.244	C	C	.	.	H	α-helix	trans	-59.5	-27.9	171.6	0	0	0	0	0	113.8	E27 K28 I29 N33 D34 D35	E27-G31 PolarHBondContact O-N 3.31Å; K28-G31 PolarHBondContact O-N 3.23Å; I29-G31 PolarHBondContact O-N 3.39Å; G31-N33 VanDerWaalsContact C-N 3.29Å; G31-N33 PolarHBondContact O-N 3.06Å; G31-D34 PolarHBondContact O-N 3.25Å; G31-D35 PolarHBondContact O-N 2.93Å
32	T	89.5	Confident	87.3	Confident	14 Å²	14	39 Å²	39	9%	0.086	22%	0.219	C	C	.	.	H	α-helix	trans	-68.9	-26.8	174.8	73.7	0	0	0	0	112.9	K28 I29 Q30 D35 A36 Y210 M253 I258	K28-T32 PolarHBondContact O-N 3.05Å; I29-T32 VanDerWaalsContact O-CB 3.32Å; I29-T32 WeakPolarHBondContact O-CB 3.26Å; I29-T32 PolarHBondContact O-N 3.02Å; I29-T32 PolarHBondContact O-OG1 2.98Å; Q30-T32 PolarHBondContact O-N 2.93Å; T32-D35 PolarHBondContact O-N 2.91Å; T32-A36 VanDerWaalsContact O-CB 3.29Å; T32-A36 WeakPolarHBondContact O-CB 3.34Å; T32-A36 PolarHBondContact O-N 3Å; T32-Y210 PolarHBondContact OG1-OH 3.28Å; T32-Y210 VanDerWaalsContact OG1-OH 3.14Å; T32-M253 HydrophobicContact CG2-CE 4.5Å; T32-I258 HydrophobicContact CG2-CD1 3.61Å
33	N	94.3	Very high	89.2	Confident	20 Å²	20	32.9 Å²	32.9	11%	0.107	18%	0.179	C	C	.	.	H	α-helix	trans	-65.1	-44.1	172.5	163.9	74.6	0	0	0	111	Q30 G31 D35 A36 S37 G104 Y105 I130	Q30-N33 VanDerWaalsContact O-CB 3.31Å; Q30-N33 WeakPolarHBondContact O-CB 3.48Å; Q30-N33 PolarHBondContact O-N 3.46Å; G31-N33 VanDerWaalsContact C-N 3.29Å; G31-N33 PolarHBondContact O-N 3.06Å; N33-D35 VanDerWaalsContact C-N 3.32Å; N33-D35 PolarHBondContact O-N 2.64Å; N33-A36 PolarHBondContact O-N 2.69Å; N33-S37 VanDerWaalsContact O-CB 3.32Å; N33-S37 WeakPolarHBondContact O-CB 3.47Å; N33-S37 PolarHBondContact O-N 2.93Å; N33-S37 PolarHBondContact O-OG 2.96Å; N33-G104 WeakPolarHBondContact OD1-CA 3.44Å; N33-Y105 VanDerWaalsContact ND2-CD2 3.26Å; N33-Y105 WeakPolarHBondContact ND2-CD2 3.35Å; N33-Y105 WeakPolarHBondContact ND2-CE2 3.34Å; N33-Y105 PolarHBondContact OD1-N 3.24Å; N33-I130 HydrophobicContact CB-CD1 4.14Å
34	D	91.8	Very high	90.5	Very high	52 Å²	52	30 Å²	30	28%	0.278	17%	0.167	S	C	.	.	H	α-helix	trans	-61.9	-44.6	178.4	-65	-22.3	0	0	0	109.6	G31 A36 S37 D38 Y105 K133	G31-D34 PolarHBondContact O-N 3.25Å; D34-A36 PolarHBondContact O-N 3.1Å; D34-S37 PolarHBondContact O-N 3.31Å; D34-D38 WeakPolarHBondContact O-CB 3.19Å; D34-D38 VanDerWaalsContact O-CG 3.25Å; D34-D38 PolarHBondContact O-N 3.25Å; D34-Y105 VanDerWaalsContact OD1-CE2 3.25Å; D34-Y105 WeakPolarHBondContact OD1-CE2 3.39Å; D34-Y105 PolarHBondContact OD1-OH 3.02Å; D34-Y105 VanDerWaalsContact OD1-OH 3.08Å; D34-K133 IonicContact OD2-NZ 2.96Å
35	D	89.7	Confident	91.1	Very high	14 Å²	14	31.9 Å²	31.9	8%	0.075	19%	0.187	C	C	.	.	H	α-helix	trans	-63.8	-37.7	177.1	-67.7	-20.3	0	0	0	114.7	F13 G31 T32 N33 L39 R64 R66 R256	F13-D35 HydrophobicContact CD1-CB 3.39Å; F13-D35 HydrophobicContact CE1-CB 3.41Å; F13-D35 VanDerWaalsContact CE1-CB 3.41Å; G31-D35 PolarHBondContact O-N 2.93Å; T32-D35 PolarHBondContact O-N 2.91Å; N33-D35 VanDerWaalsContact C-N 3.32Å; N33-D35 PolarHBondContact O-N 2.64Å; D35-L39 PolarHBondContact O-N 3.43Å; D35-L39 VanDerWaalsContact O-N 3.15Å; D35-R64 IonicContact OD1-CZ 3.49Å; D35-R64 IonicContact OD1-NH1 2.96Å; D35-R64 PolarHBondContact OD1-NH1 3.27Å; D35-R64 IonicContact OD1-NH2 2.89Å; D35-R64 PolarHBondContact OD1-NH2 3.14Å; D35-R66 PolarHBondContact O-NH2 2.88Å; D35-R66 VanDerWaalsContact O-NH2 3.14Å; D35-R256 IonicContact OD2-CZ 2.79Å; D35-R256 IonicContact OD2-NH1 3.91Å; D35-R256 IonicContact OD2-NH2 3.95Å; D35-R256 PolarHBondContact OD2-NH2 3.44Å
36	A	92.9	Very high	91.8	Very high	17 Å²	17	32.8 Å²	32.8	14%	0.14	19%	0.193	C	C	.	.	H	α-helix	trans	-70.8	-40.9	177.8	0	0	0	0	0	111.2	T32 N33 D34 L39 K40	T32-A36 VanDerWaalsContact O-CB 3.29Å; T32-A36 WeakPolarHBondContact O-CB 3.34Å; T32-A36 PolarHBondContact O-N 3Å; N33-A36 PolarHBondContact O-N 2.69Å; D34-A36 PolarHBondContact O-N 3.1Å; A36-L39 PolarHBondContact O-N 3.39Å; A36-K40 WeakPolarHBondContact O-CG 3.39Å; A36-K40 PolarHBondContact O-N 3.33Å
37	S	94.8	Very high	92.3	Very high	4 Å²	4	32 Å²	32	3%	0.028	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-43.9	176.5	-59.5	0	0	0	0	110.6	N33 D34 L39 K40 A41 V58 Y105	N33-S37 VanDerWaalsContact O-CB 3.32Å; N33-S37 WeakPolarHBondContact O-CB 3.47Å; N33-S37 PolarHBondContact O-N 2.93Å; N33-S37 PolarHBondContact O-OG 2.96Å; D34-S37 PolarHBondContact O-N 3.31Å; S37-L39 VanDerWaalsContact C-N 3.3Å; S37-L39 PolarHBondContact O-N 3.05Å; S37-K40 WeakPolarHBondContact O-CB 3.29Å; S37-K40 PolarHBondContact O-N 3.19Å; S37-K40 VanDerWaalsContact O-N 3.14Å; S37-A41 PolarHBondContact O-N 3.45Å; S37-V58 VanDerWaalsContact C-CG1 3.41Å; S37-Y105 WeakPolarHBondContact OG-CD2 3.34Å
38	D	92.7	Very high	92.8	Very high	19 Å²	19	27.9 Å²	27.9	10%	0.102	18%	0.18	C	C	.	.	H	α-helix	trans	-57.2	-42.7	173.5	-76.7	-8.9	0	0	0	111.8	D34 A41 S42 V58 Q61 R64	D34-D38 WeakPolarHBondContact O-CB 3.19Å; D34-D38 VanDerWaalsContact O-CG 3.25Å; D34-D38 PolarHBondContact O-N 3.25Å; D38-A41 PolarHBondContact O-N 2.94Å; D38-S42 WeakPolarHBondContact O-CB 3.15Å; D38-S42 PolarHBondContact O-N 3.15Å; D38-V58 WeakPolarHBondContact OD1-CB 3.42Å; D38-V58 WeakPolarHBondContact OD1-CG1 3.38Å; D38-Q61 PolarHBondContact OD2-NE2 2.86Å; D38-R64 IonicContact OD2-CZ 3.56Å; D38-R64 IonicContact OD2-NH1 3.61Å; D38-R64 PolarHBondContact OD2-NH1 2.9Å
39	L	94.1	Very high	93.3	Very high	14 Å²	14	25.5 Å²	25.5	7%	0.073	17%	0.17	C	C	.	.	H	α-helix	trans	-65.4	-41.8	177	-174.9	58	0	0	0	111.8	D35 A36 S37 S42 A43 R66 M70 C74	D35-L39 PolarHBondContact O-N 3.43Å; D35-L39 VanDerWaalsContact O-N 3.15Å; A36-L39 PolarHBondContact O-N 3.39Å; S37-L39 VanDerWaalsContact C-N 3.3Å; S37-L39 PolarHBondContact O-N 3.05Å; L39-S42 PolarHBondContact O-N 3.28Å; L39-A43 WeakPolarHBondContact O-CB 3.4Å; L39-A43 PolarHBondContact O-N 2.91Å; L39-R66 HydrophobicContact CD1-CB 4.5Å; L39-R66 HydrophobicContact CD1-CG 4.31Å; L39-M70 HydrophobicContact CD1-CB 3.94Å; L39-M70 HydrophobicContact CD1-CE 4.43Å; L39-M70 HydrophobicContact CD2-CB 4.43Å; L39-C74 HydrophobicContact CD2-CB 3.89Å; L39-C74 HydrophobicContact CG-CB 3.94Å
40	K	95.6	Very high	94	Very high	15 Å²	15	33.8 Å²	33.8	7%	0.065	21%	0.205	C	C	.	.	H	α-helix	trans	-59.8	-49.3	175.8	-73.6	179.5	-178.8	-176.8	0	109.5	A36 S37 S42 A43 V44 W49 I54 V78 D106 E205	A36-K40 WeakPolarHBondContact O-CG 3.39Å; A36-K40 PolarHBondContact O-N 3.33Å; S37-K40 WeakPolarHBondContact O-CB 3.29Å; S37-K40 PolarHBondContact O-N 3.19Å; S37-K40 VanDerWaalsContact O-N 3.14Å; K40-S42 PolarHBondContact O-N 2.92Å; K40-A43 PolarHBondContact O-N 3.26Å; K40-V44 VanDerWaalsContact O-CG2 3.25Å; K40-V44 WeakPolarHBondContact O-CG2 3.26Å; K40-V44 PolarHBondContact O-N 3.15Å; K40-W49 HydrophobicContact CB-CH2 4.5Å; K40-W49 HydrophobicContact CB-CZ2 4.13Å; K40-W49 HydrophobicContact CG-CZ2 4.37Å; K40-I54 HydrophobicContact CB-CD1 4.32Å; K40-I54 HydrophobicContact CB-CG1 3.97Å; K40-V78 HydrophobicContact CD-CG2 4.17Å; K40-V78 HydrophobicContact CG-CG2 4.09Å; K40-D106 IonicContact NZ-OD2 3.22Å; K40-D106 PolarHBondContact NZ-OD2 2.91Å; K40-E205 IonicContact NZ-OE1 3.6Å; K40-E205 IonicContact NZ-OE2 3.35Å
41	A	95.2	Very high	94.4	Very high	17 Å²	17	33.4 Å²	33.4	14%	0.14	20%	0.203	C	C	.	.	H	α-helix	trans	-62.7	-41.6	179.2	0	0	0	0	0	113.3	S37 D38 V44 A45 I54 V58	S37-A41 PolarHBondContact O-N 3.45Å; D38-A41 PolarHBondContact O-N 2.94Å; A41-V44 PolarHBondContact O-N 3.29Å; A41-A45 WeakPolarHBondContact O-CB 3.36Å; A41-A45 PolarHBondContact O-N 3.4Å; A41-I54 HydrophobicContact CB-CG1 4.21Å; A41-I54 HydrophobicContact CB-CG2 4.21Å; A41-V58 HydrophobicContact CB-CB 4.37Å; A41-V58 HydrophobicContact CB-CG1 4.17Å; A41-V58 HydrophobicContact CB-CG2 3.45Å; A41-V58 VanDerWaalsContact CB-CG2 3.45Å
42	S	94.6	Very high	94.8	Very high	42 Å²	42	35.2 Å²	35.2	29%	0.294	21%	0.211	S	C	.	.	H	α-helix	trans	-62.6	-45.8	176.6	-173.4	0	0	0	0	112.1	D38 L39 K40 V44 A45 L46 H71	D38-S42 WeakPolarHBondContact O-CB 3.15Å; D38-S42 PolarHBondContact O-N 3.15Å; L39-S42 PolarHBondContact O-N 3.28Å; K40-S42 PolarHBondContact O-N 2.92Å; S42-V44 VanDerWaalsContact C-N 3.32Å; S42-V44 PolarHBondContact O-N 2.95Å; S42-A45 PolarHBondContact O-N 3.44Å; S42-L46 WeakPolarHBondContact O-CG 3.37Å; S42-L46 PolarHBondContact O-N 2.9Å; S42-L46 VanDerWaalsContact O-N 3.11Å; S42-H71 PolarHBondContact OG-NE2 3.37Å
43	A	95.7	Very high	95.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.2	-36	175.9	0	0	0	0	0	112.5	L39 K40 L46 G47 Y48 W49 H71	L39-A43 WeakPolarHBondContact O-CB 3.4Å; L39-A43 PolarHBondContact O-N 2.91Å; K40-A43 PolarHBondContact O-N 3.26Å; A43-L46 PolarHBondContact O-N 3.01Å; A43-G47 PolarHBondContact O-N 3.46Å; A43-Y48 HydrophobicContact CB-CD2 4.11Å; A43-Y48 HydrophobicContact CB-CG 4.26Å; A43-Y48 WeakPolarHBondContact O-CB 3.36Å; A43-Y48 WeakPolarHBondContact O-CD2 3.49Å; A43-Y48 PolarHBondContact O-N 3.46Å; A43-W49 HydrophobicContact CB-CH2 3.62Å; A43-W49 HydrophobicContact CB-CZ3 3.53Å; A43-H71 HydrophobicContact CB-CB 4.25Å
44	V	96.4	Very high	95.4	Very high	27 Å²	27	34.3 Å²	34.3	16%	0.164	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-44.3	174	168.6	0	0	0	0	111.4	K40 A41 S42 L46 G47 W49 D51 I54	K40-V44 VanDerWaalsContact O-CG2 3.25Å; K40-V44 WeakPolarHBondContact O-CG2 3.26Å; K40-V44 PolarHBondContact O-N 3.15Å; A41-V44 PolarHBondContact O-N 3.29Å; S42-V44 VanDerWaalsContact C-N 3.32Å; S42-V44 PolarHBondContact O-N 2.95Å; V44-L46 PolarHBondContact O-N 3.43Å; V44-G47 WeakPolarHBondContact O-CA 3.4Å; V44-G47 PolarHBondContact O-N 2.92Å; V44-W49 HydrophobicContact CG2-CD2 3.9Å; V44-W49 HydrophobicContact CG2-CG 4.26Å; V44-W49 HydrophobicContact CG2-CH2 4.3Å; V44-W49 HydrophobicContact CG2-CZ2 3.52Å; V44-W49 VanDerWaalsContact CG2-NE1 3.29Å; V44-D51 HydrophobicContact CG1-CB 4.13Å; V44-D51 HydrophobicContact CG2-CB 3.75Å; V44-I54 HydrophobicContact CB-CG2 4.23Å; V44-I54 HydrophobicContact CG1-CG2 4.34Å; V44-I54 HydrophobicContact CG2-CG2 4.03Å
45	A	94.7	Very high	95.5	Very high	89 Å²	89	35.3 Å²	35.3	74%	0.736	22%	0.216	S	C	*	.	H	α-helix	trans	-61.1	-32.2	177.1	0	0	0	0	0	112.5	A41 S42 G47	A41-A45 WeakPolarHBondContact O-CB 3.36Å; A41-A45 PolarHBondContact O-N 3.4Å; S42-A45 PolarHBondContact O-N 3.44Å; A45-G47 VanDerWaalsContact C-N 3.28Å
46	L	95.7	Very high	95.8	Very high	74 Å²	74	38.3 Å²	38.3	39%	0.387	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-6.9	173.2	-68.5	169.7	0	0	0	113.8	S42 A43 V44 Y48 H71 I308 E309	S42-L46 WeakPolarHBondContact O-CG 3.37Å; S42-L46 PolarHBondContact O-N 2.9Å; S42-L46 VanDerWaalsContact O-N 3.11Å; A43-L46 PolarHBondContact O-N 3.01Å; V44-L46 PolarHBondContact O-N 3.43Å; L46-Y48 HydrophobicContact CB-CD2 3.99Å; L46-Y48 HydrophobicContact CB-CE2 4.15Å; L46-Y48 HydrophobicContact CD1-CE2 4.34Å; L46-H71 WeakPolarHBondContact CD1-CE1 3.36Å; L46-H71 WeakPolarHBondContact CD1-ND1 3.35Å; L46-I308 HydrophobicContact CB-CG2 4.09Å; L46-I308 WeakPolarHBondContact O-CG2 3.38Å; L46-E309 HydrophobicContact CD1-CG 4.41Å
47	G	96.5	Very high	95.9	Very high	37 Å²	37	38.4 Å²	38.4	38%	0.381	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	20.4	176.4	0	0	0	0	0	115.2	A43 V44 A45 W49 R304	A43-G47 PolarHBondContact O-N 3.46Å; V44-G47 WeakPolarHBondContact O-CA 3.4Å; V44-G47 PolarHBondContact O-N 2.92Å; A45-G47 VanDerWaalsContact C-N 3.28Å; G47-W49 PolarHBondContact O-N 2.86Å; G47-R304 PolarHBondContact O-NH1 2.96Å
48	Y	97.8	Very high	95.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-60.1	-45.2	174.9	-83.5	-100.4	0	0	0	111.7	A43 L46 H71 R72 F75 R304 I305 I308 E309	A43-Y48 HydrophobicContact CB-CD2 4.11Å; A43-Y48 HydrophobicContact CB-CG 4.26Å; A43-Y48 WeakPolarHBondContact O-CB 3.36Å; A43-Y48 WeakPolarHBondContact O-CD2 3.49Å; A43-Y48 PolarHBondContact O-N 3.46Å; L46-Y48 HydrophobicContact CB-CD2 3.99Å; L46-Y48 HydrophobicContact CB-CE2 4.15Å; L46-Y48 HydrophobicContact CD1-CE2 4.34Å; Y48-H71 HydrophobicContact CD2-CB 4.14Å; Y48-H71 HydrophobicContact CE1-CB 4.05Å; Y48-H71 HydrophobicContact CE2-CB 3.46Å; Y48-H71 VanDerWaalsContact CE2-CB 3.46Å; Y48-H71 VanDerWaalsContact CZ-CB 3.41Å; Y48-R72 HydrophobicContact CE1-CB 4.38Å; Y48-R72 HydrophobicContact CE1-CG 3.7Å; Y48-R72 WeakPolarHBondContact OH-CG 3.48Å; Y48-F75 HydrophobicContact CD1-CB 3.66Å; Y48-F75 HydrophobicContact CD1-CD2 4.29Å; Y48-F75 HydrophobicContact CD1-CG 4.12Å; Y48-F75 HydrophobicContact CE1-CB 4.4Å; Y48-F75 HydrophobicContact CG-CB 4.47Å; Y48-R304 PolarHBondContact O-NH1 3.48Å; Y48-R304 PolarHBondContact O-NH2 3.25Å; Y48-I305 HydrophobicContact CD1-CD1 3.84Å; Y48-I305 HydrophobicContact CD1-CG2 3.93Å; Y48-I305 HydrophobicContact CE1-CG2 3.66Å; Y48-I305 HydrophobicContact CG-CD1 4.42Å; Y48-I305 WeakPolarHBondContact O-CD1 3.33Å; Y48-I308 HydrophobicContact CD1-CD1 4.1Å; Y48-I308 HydrophobicContact CD2-CD1 3.97Å; Y48-I308 HydrophobicContact CD2-CG2 3.94Å; Y48-I308 HydrophobicContact CE1-CD1 4.43Å; Y48-I308 HydrophobicContact CE2-CB 4.13Å; Y48-I308 HydrophobicContact CE2-CD1 4.31Å; Y48-I308 HydrophobicContact CE2-CG2 3.59Å; Y48-I308 HydrophobicContact CG-CD1 3.86Å; Y48-E309 WeakPolarHBondContact CE2-OE2 3.42Å; Y48-E309 VanDerWaalsContact CZ-OE2 3.24Å; Y48-E309 PolarHBondContact OH-OE2 2.77Å
49	W	97.7	Very high	95.1	Very high	18 Å²	18	41.5 Å²	41.5	7%	0.068	25%	0.25	C	S	.	.	S	Bend	trans	-146.8	171.2	168.5	66.9	96.2	0	0	0	110.5	K40 A43 V44 G47 F75 V78 K79	K40-W49 HydrophobicContact CB-CH2 4.5Å; K40-W49 HydrophobicContact CB-CZ2 4.13Å; K40-W49 HydrophobicContact CG-CZ2 4.37Å; A43-W49 HydrophobicContact CB-CH2 3.62Å; A43-W49 HydrophobicContact CB-CZ3 3.53Å; V44-W49 HydrophobicContact CG2-CD2 3.9Å; V44-W49 HydrophobicContact CG2-CG 4.26Å; V44-W49 HydrophobicContact CG2-CH2 4.3Å; V44-W49 HydrophobicContact CG2-CZ2 3.52Å; V44-W49 VanDerWaalsContact CG2-NE1 3.29Å; G47-W49 PolarHBondContact O-N 2.86Å; W49-F75 HydrophobicContact CE3-CB 4.35Å; W49-F75 HydrophobicContact CE3-CD2 4.06Å; W49-F75 HydrophobicContact CZ3-CB 4.15Å; W49-V78 HydrophobicContact CD2-CG1 4.46Å; W49-V78 HydrophobicContact CH2-CB 4.48Å; W49-V78 HydrophobicContact CH2-CG2 4.14Å; W49-V78 HydrophobicContact CZ2-CB 4.32Å; W49-V78 HydrophobicContact CZ2-CG1 4.12Å; W49-V78 HydrophobicContact CZ2-CG2 4.02Å; W49-K79 HydrophobicContact CB-CD 4.28Å
50	K	97.7	Very high	93.5	Very high	192 Å²	192	47.1 Å²	47.1	84%	0.835	29%	0.287	S	S	*	.			trans	-93.5	127.4	174.5	-64.9	-176.3	179.4	-178.5	0	109.8
51	D	97.7	Very high	92	Very high	12 Å²	12	51.5 Å²	51.5	6%	0.064	31%	0.308	C	S	.	.			trans	-152.6	98.3	174.7	-172.8	-26.5	0	0	0	108.2	V44 F53 I54 T107	V44-D51 HydrophobicContact CG1-CB 4.13Å; V44-D51 HydrophobicContact CG2-CB 3.75Å; D51-F53 PolarHBondContact O-N 3.41Å; D51-F53 WeakPolarHBondContact OD1-CB 3.41Å; D51-F53 PolarHBondContact OD1-N 2.85Å; D51-I54 HydrophobicContact CB-CG2 4.09Å; D51-I54 PolarHBondContact OD1-N 3.47Å; D51-T107 PolarHBondContact OD1-OG1 3.44Å; D51-T107 PolarHBondContact OD2-OG1 3.49Å
52	P	96.6	Very high	90	Very high	63 Å²	63	56.8 Å²	56.8	41%	0.409	34%	0.344	S	S	.	.	S	Bend	trans	-77.3	1.4	-178.8	32.7	-34.4	0	0	0	112.9	Y56	P52-Y56 VanDerWaalsContact O-CE2 3.28Å; P52-Y56 WeakPolarHBondContact O-CE2 3.23Å
53	F	97.8	Very high	88.3	Confident	13 Å²	13	58.4 Å²	58.4	6%	0.057	37%	0.367	C	S	.	.	S	Bend	trans	-107.8	-37	-170	-53.5	-67.8	0	0	0	112.7	D51 S55 Y56 T107 W110 K111 Q114 I144 F145	D51-F53 PolarHBondContact O-N 3.41Å; D51-F53 WeakPolarHBondContact OD1-CB 3.41Å; D51-F53 PolarHBondContact OD1-N 2.85Å; F53-S55 PolarHBondContact O-N 3.42Å; F53-S55 VanDerWaalsContact O-N 3.12Å; F53-Y56 WeakPolarHBondContact O-CD2 3.27Å; F53-Y56 PolarHBondContact O-N 3.26Å; F53-Y56 VanDerWaalsContact O-N 3.1Å; F53-T107 HydrophobicContact CB-CG2 3.71Å; F53-W110 HydrophobicContact CD1-CB 3.97Å; F53-W110 HydrophobicContact CD1-CG 4.47Å; F53-W110 HydrophobicContact CD2-CB 3.7Å; F53-W110 HydrophobicContact CE1-CB 3.85Å; F53-W110 HydrophobicContact CE2-CB 3.56Å; F53-W110 HydrophobicContact CG-CB 3.9Å; F53-W110 HydrophobicContact CZ-CB 3.65Å; F53-K111 HydrophobicContact CD2-CG 4.01Å; F53-K111 HydrophobicContact CE2-CG 4.02Å; F53-Q114 HydrophobicContact CZ-CB 4.45Å; F53-I144 HydrophobicContact CD1-CG2 4.06Å; F53-I144 HydrophobicContact CE1-CG2 4.15Å; F53-F145 HydrophobicContact CB-CE1 3.83Å; F53-F145 HydrophobicContact CB-CZ 4.27Å; F53-F145 HydrophobicContact CD1-CD1 4.08Å; F53-F145 AromaticContact CD1-CE1 3.79Å; F53-F145 HydrophobicContact CD1-CE1 3.79Å; F53-F145 HydrophobicContact CD1-CZ 4.48Å; F53-F145 HydrophobicContact CG-CE1 4.15Å
54	I	96.8	Very high	87.1	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-60.7	-29.8	-170.5	-169.2	61	0	0	0	113.3	K40 A41 V44 D51 Y56 F57 T107	K40-I54 HydrophobicContact CB-CD1 4.32Å; K40-I54 HydrophobicContact CB-CG1 3.97Å; A41-I54 HydrophobicContact CB-CG1 4.21Å; A41-I54 HydrophobicContact CB-CG2 4.21Å; V44-I54 HydrophobicContact CB-CG2 4.23Å; V44-I54 HydrophobicContact CG1-CG2 4.34Å; V44-I54 HydrophobicContact CG2-CG2 4.03Å; D51-I54 HydrophobicContact CB-CG2 4.09Å; D51-I54 PolarHBondContact OD1-N 3.47Å; I54-Y56 PolarHBondContact O-N 3.46Å; I54-F57 PolarHBondContact O-N 2.84Å; I54-F57 VanDerWaalsContact O-N 3.13Å; I54-T107 HydrophobicContact CB-CG2 4.1Å; I54-T107 HydrophobicContact CD1-CG2 4.06Å
55	S	95.2	Very high	86.2	Confident	73 Å²	73	66.8 Å²	66.8	51%	0.51	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-64.4	-20.4	179.9	56.1	0	0	0	0	114	F53 F57	F53-S55 PolarHBondContact O-N 3.42Å; F53-S55 VanDerWaalsContact O-N 3.12Å; S55-F57 VanDerWaalsContact C-N 3.32Å
56	Y	96.1	Very high	85.9	Confident	78 Å²	78	64.1 Å²	64.1	31%	0.306	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-78.5	-17.1	177.3	-64.9	-78.5	0	0	0	113	P52 F53 I54 V137 H141 I144 F145	P52-Y56 VanDerWaalsContact O-CE2 3.28Å; P52-Y56 WeakPolarHBondContact O-CE2 3.23Å; F53-Y56 WeakPolarHBondContact O-CD2 3.27Å; F53-Y56 PolarHBondContact O-N 3.26Å; F53-Y56 VanDerWaalsContact O-N 3.1Å; I54-Y56 PolarHBondContact O-N 3.46Å; Y56-V137 WeakPolarHBondContact O-CG1 3.42Å; Y56-H141 HydrophobicContact CD1-CB 4.36Å; Y56-H141 AromaticContact CD1-CD2 3.42Å; Y56-H141 VanDerWaalsContact CD1-CD2 3.42Å; Y56-H141 WeakPolarHBondContact CD1-CD2 3.47Å; Y56-H141 AromaticContact CD1-CE1 3.99Å; Y56-H141 AromaticContact CD1-CG 3.69Å; Y56-H141 AromaticContact CD1-NE2 3.59Å; Y56-I144 HydrophobicContact CE2-CG1 4.45Å; Y56-I144 HydrophobicContact CE2-CG2 3.88Å; Y56-F145 HydrophobicContact CD2-CE2 4.11Å; Y56-F145 AromaticContact CD2-CZ 3.99Å; Y56-F145 HydrophobicContact CD2-CZ 3.99Å; Y56-F145 HydrophobicContact CG-CE2 4.13Å; Y56-F145 HydrophobicContact CG-CZ 4.27Å
57	F	95.2	Very high	85.8	Confident	18 Å²	18	62.3 Å²	62.3	8%	0.079	37%	0.368	C	S	.	.	S	Bend	trans	-98.3	-4.8	-178.2	-64.2	-77.2	0	0	0	113.7	I54 S55 Y105 T107 K134 V137 L138 F145	I54-F57 PolarHBondContact O-N 2.84Å; I54-F57 VanDerWaalsContact O-N 3.13Å; S55-F57 VanDerWaalsContact C-N 3.32Å; F57-Y105 HydrophobicContact CB-CD2 3.73Å; F57-Y105 HydrophobicContact CB-CG 3.87Å; F57-Y105 HydrophobicContact CD1-CD1 4.14Å; F57-Y105 AromaticContact CD1-CG 3.95Å; F57-Y105 HydrophobicContact CD1-CG 3.95Å; F57-Y105 HydrophobicContact CG-CD2 4.44Å; F57-Y105 HydrophobicContact CG-CG 4.09Å; F57-T107 HydrophobicContact CD2-CG2 4.2Å; F57-T107 HydrophobicContact CE2-CG2 4.06Å; F57-K134 HydrophobicContact CD1-CG 4.28Å; F57-K134 HydrophobicContact CE1-CB 4.32Å; F57-K134 HydrophobicContact CE1-CG 3.5Å; F57-K134 HydrophobicContact CZ-CG 4.09Å; F57-V137 HydrophobicContact CD1-CB 3.88Å; F57-V137 HydrophobicContact CD1-CG1 3.72Å; F57-V137 HydrophobicContact CD1-CG2 3.96Å; F57-V137 HydrophobicContact CE1-CB 3.65Å; F57-V137 HydrophobicContact CE1-CG1 3.52Å; F57-V137 HydrophobicContact CE1-CG2 4.24Å; F57-V137 HydrophobicContact CE2-CG1 4.5Å; F57-V137 HydrophobicContact CG-CG1 4.27Å; F57-V137 HydrophobicContact CZ-CB 4.48Å; F57-V137 HydrophobicContact CZ-CG1 3.96Å; F57-L138 HydrophobicContact CZ-CD2 3.92Å; F57-F145 HydrophobicContact CD2-CZ 4.44Å; F57-F145 AromaticContact CE2-CE1 3.73Å; F57-F145 HydrophobicContact CE2-CE1 3.73Å; F57-F145 AromaticContact CE2-CZ 3.49Å; F57-F145 HydrophobicContact CE2-CZ 3.49Å; F57-F145 VanDerWaalsContact CE2-CZ 3.49Å; F57-F145 AromaticContact CZ-CE1 3.92Å; F57-F145 HydrophobicContact CZ-CE1 3.92Å; F57-F145 HydrophobicContact CZ-CE2 4.45Å; F57-F145 AromaticContact CZ-CZ 3.7Å; F57-F145 HydrophobicContact CZ-CZ 3.7Å
58	V	91	Very high	85.7	Confident	26 Å²	26	61 Å²	61	16%	0.158	35%	0.354	C	S	.	.	S	Bend	trans	-121	139.2	-176.7	-62.4	0	0	0	0	110.5	S37 D38 A41	S37-V58 VanDerWaalsContact C-CG1 3.41Å; D38-V58 WeakPolarHBondContact OD1-CB 3.42Å; D38-V58 WeakPolarHBondContact OD1-CG1 3.38Å; A41-V58 HydrophobicContact CB-CB 4.37Å; A41-V58 HydrophobicContact CB-CG1 4.17Å; A41-V58 HydrophobicContact CB-CG2 3.45Å; A41-V58 VanDerWaalsContact CB-CG2 3.45Å
59	A	79.4	Confident	85.6	Confident	63 Å²	63	61.5 Å²	61.5	52%	0.521	36%	0.356	S	S	.	.			trans	-75.6	141.3	166.8	0	0	0	0	0	109	Q61	A59-Q61 PolarHBondContact O-N 3.2Å
60	P	60.6	Low	85.4	Confident	132 Å²	132	61 Å²	61	86%	0.857	35%	0.354	S	S	*	.			trans	-60.6	100.4	171	-19.8	31	0	0	0	110.2
61	Q	63.6	Low	85.3	Confident	106 Å²	106	52 Å²	52	50%	0.495	32%	0.316	S	S	.	.			trans	-95	109.1	173.7	-66.6	-162.8	20.7	0	0	110.6	D38 A59 G63 R64	D38-Q61 PolarHBondContact OD2-NE2 2.86Å; A59-Q61 PolarHBondContact O-N 3.2Å; Q61-G63 PolarHBondContact O-N 3.46Å; Q61-R64 VanDerWaalsContact OE1-CD 3.31Å
62	S	52.2	Low	85.3	Confident	128 Å²	128	52 Å²	52	90%	0.895	32%	0.315	S	S	*	.	S	Bend	trans	-80.1	108.3	164.9	57	0	0	0	0	109.1
63	G	60.3	Low	85.3	Confident	76 Å²	76	49.4 Å²	49.4	78%	0.784	30%	0.299	S	S	*	.			trans	138.4	-13.5	162.7	0	0	0	0	0	117.7	Q61 L65	Q61-G63 PolarHBondContact O-N 3.46Å; G63-L65 PolarHBondContact O-N 2.87Å
64	R	71.1	Confident	85.3	Confident	69 Å²	69	48.9 Å²	48.9	26%	0.26	30%	0.297	S	S	.	.			trans	-71.8	116.7	174.4	-72.7	177.8	173.5	-167.4	-12.2	109.9	D35 D38 Q61 R66	D35-R64 IonicContact OD1-CZ 3.49Å; D35-R64 IonicContact OD1-NH1 2.96Å; D35-R64 PolarHBondContact OD1-NH1 3.27Å; D35-R64 IonicContact OD1-NH2 2.89Å; D35-R64 PolarHBondContact OD1-NH2 3.14Å; D38-R64 IonicContact OD2-CZ 3.56Å; D38-R64 IonicContact OD2-NH1 3.61Å; D38-R64 PolarHBondContact OD2-NH1 2.9Å; Q61-R64 VanDerWaalsContact OE1-CD 3.31Å; R64-R66 PolarHBondContact O-N 2.78Å
65	L	77.3	Confident	85.3	Confident	134 Å²	134	49 Å²	49	70%	0.702	30%	0.298	S	S	*	.			trans	-67.6	116.9	174.9	-175.2	67.7	0	0	0	109	G63	G63-L65 PolarHBondContact O-N 2.87Å
66	R	88.1	Confident	85.4	Confident	33 Å²	33	45.5 Å²	45.5	13%	0.125	27%	0.273	C	S	.	.			trans	-113.8	131.8	171.7	-54.4	-57.2	-171.3	137.3	4.9	108.2	D35 L39 R64 M70 H71	D35-R66 PolarHBondContact O-NH2 2.88Å; D35-R66 VanDerWaalsContact O-NH2 3.14Å; L39-R66 HydrophobicContact CD1-CB 4.5Å; L39-R66 HydrophobicContact CD1-CG 4.31Å; R64-R66 PolarHBondContact O-N 2.78Å; R66-M70 HydrophobicContact CB-SD 4.4Å; R66-H71 VanDerWaalsContact CB-NE2 3.26Å; R66-H71 WeakPolarHBondContact CB-NE2 3.45Å
67	T	92.7	Very high	85.5	Confident	36 Å²	36	43.1 Å²	43.1	22%	0.221	26%	0.264	C	S	.	.			trans	-95.2	161.3	-179.1	77.1	0	0	0	0	111	E69 M70 H71	T67-E69 WeakPolarHBondContact CB-OE2 3.23Å; T67-E69 PolarHBondContact O-N 3.4Å; T67-E69 PolarHBondContact OG1-OE2 2.88Å; T67-M70 HydrophobicContact CG2-SD 4.44Å; T67-M70 PolarHBondContact N-SD 2.93Å; T67-M70 WeakPolarHBondContact O-CB 3.46Å; T67-M70 PolarHBondContact O-N 2.9Å; T67-M70 PolarHBondContact OG1-N 3.49Å; T67-H71 PolarHBondContact O-N 3.35Å
68	A	94.9	Very high	85.7	Confident	9 Å²	9	42.8 Å²	42.8	7%	0.074	26%	0.263	C	S	.	.	H	α-helix	trans	-58.9	-32.2	177.3	0	0	0	0	0	111.9	R72 E309 L311	A68-R72 WeakPolarHBondContact O-CB 3.46Å; A68-R72 WeakPolarHBondContact O-CG 3.36Å; A68-R72 PolarHBondContact O-N 2.79Å; A68-E309 HydrophobicContact CB-CB 3.82Å; A68-L311 HydrophobicContact CB-CD1 4.08Å
69	E	95.2	Very high	86	Confident	11 Å²	11	43.8 Å²	43.8	5%	0.051	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-44	173.9	-58.4	81.3	175.3	0	0	111.7	T67 R72 G73 L311 L316 L317 L320	T67-E69 WeakPolarHBondContact CB-OE2 3.23Å; T67-E69 PolarHBondContact O-N 3.4Å; T67-E69 PolarHBondContact OG1-OE2 2.88Å; E69-R72 PolarHBondContact O-N 3.14Å; E69-G73 PolarHBondContact O-N 3.39Å; E69-L311 VanDerWaalsContact CD-CD1 3.48Å; E69-L311 HydrophobicContact CG-CD1 3.72Å; E69-L311 VanDerWaalsContact OE1-CD1 3.25Å; E69-L311 WeakPolarHBondContact OE1-CD1 3.44Å; E69-L316 HydrophobicContact CG-CB 3.99Å; E69-L317 HydrophobicContact CB-CB 4.45Å; E69-L317 HydrophobicContact CB-CD1 4.46Å; E69-L317 HydrophobicContact CG-CB 3.96Å; E69-L320 HydrophobicContact CB-CD2 4.25Å; E69-L320 VanDerWaalsContact O-CD2 3.32Å; E69-L320 WeakPolarHBondContact O-CD2 3.49Å
70	M	93.4	Very high	86.8	Confident	7 Å²	7	40.8 Å²	40.8	3%	0.034	24%	0.241	C	C	.	.	H	α-helix	trans	-63.6	-46.1	179.1	-62.6	173.9	78.1	0	0	111.3	S11 L39 R66 T67 G73 C74	S11-M70 WeakPolarHBondContact O-CE 3.3Å; L39-M70 HydrophobicContact CD1-CB 3.94Å; L39-M70 HydrophobicContact CD1-CE 4.43Å; L39-M70 HydrophobicContact CD2-CB 4.43Å; R66-M70 HydrophobicContact CB-SD 4.4Å; T67-M70 HydrophobicContact CG2-SD 4.44Å; T67-M70 PolarHBondContact N-SD 2.93Å; T67-M70 WeakPolarHBondContact O-CB 3.46Å; T67-M70 PolarHBondContact O-N 2.9Å; T67-M70 PolarHBondContact OG1-N 3.49Å; M70-G73 PolarHBondContact O-N 2.8Å; M70-C74 VanDerWaalsContact O-CB 3.25Å; M70-C74 WeakPolarHBondContact O-CB 3.5Å; M70-C74 PolarHBondContact O-N 3.18Å
71	H	96.4	Very high	88.6	Confident	4 Å²	4	35 Å²	35	2%	0.019	20%	0.202	C	C	.	.	H	α-helix	trans	-65.9	-42.9	179.1	-62.7	141.3	0	0	0	112	S42 A43 L46 Y48 R66 T67 C74 F75 E309	S42-H71 PolarHBondContact OG-NE2 3.37Å; A43-H71 HydrophobicContact CB-CB 4.25Å; L46-H71 WeakPolarHBondContact CD1-CE1 3.36Å; L46-H71 WeakPolarHBondContact CD1-ND1 3.35Å; Y48-H71 HydrophobicContact CD2-CB 4.14Å; Y48-H71 HydrophobicContact CE1-CB 4.05Å; Y48-H71 HydrophobicContact CE2-CB 3.46Å; Y48-H71 VanDerWaalsContact CE2-CB 3.46Å; Y48-H71 VanDerWaalsContact CZ-CB 3.41Å; R66-H71 VanDerWaalsContact CB-NE2 3.26Å; R66-H71 WeakPolarHBondContact CB-NE2 3.45Å; T67-H71 PolarHBondContact O-N 3.35Å; H71-C74 WeakPolarHBondContact O-CB 3.35Å; H71-C74 PolarHBondContact O-N 3.23Å; H71-F75 WeakPolarHBondContact O-CB 3.19Å; H71-F75 PolarHBondContact O-N 3.06Å; H71-E309 WeakPolarHBondContact CB-OE2 3.48Å; H71-E309 IonicContact CE1-OE1 3.61Å; H71-E309 PolarHBondContact CE1-OE1 3.41Å; H71-E309 IonicContact CG-OE2 2.67Å; H71-E309 VanDerWaalsContact ND1-CD 3.29Å; H71-E309 IonicContact ND1-OE1 3.28Å; H71-E309 PolarHBondContact ND1-OE1 3.02Å; H71-E309 IonicContact ND1-OE2 3.17Å; H71-E309 PolarHBondContact ND1-OE2 3.22Å
72	R	97	Very high	90.2	Very high	12 Å²	12	30.2 Å²	30.2	5%	0.045	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-43.2	175.6	-70.5	171.9	-173.5	-150.1	3.9	111.8	Y48 A68 E69 F75 V76 I305 Q306 E309 L311 L317	Y48-R72 HydrophobicContact CE1-CB 4.38Å; Y48-R72 HydrophobicContact CE1-CG 3.7Å; Y48-R72 WeakPolarHBondContact OH-CG 3.48Å; A68-R72 WeakPolarHBondContact O-CB 3.46Å; A68-R72 WeakPolarHBondContact O-CG 3.36Å; A68-R72 PolarHBondContact O-N 2.79Å; E69-R72 PolarHBondContact O-N 3.14Å; R72-F75 WeakPolarHBondContact O-CB 3.25Å; R72-F75 PolarHBondContact O-N 2.96Å; R72-V76 WeakPolarHBondContact O-CG2 3.38Å; R72-V76 PolarHBondContact O-N 2.77Å; R72-I305 HydrophobicContact CG-CG2 4.08Å; R72-Q306 PolarHBondContact NH2-O 3.39Å; R72-E309 PolarHBondContact NH2-O 2.81Å; R72-L311 VanDerWaalsContact NH1-CD2 3.26Å; R72-L317 HydrophobicContact CB-CD1 3.69Å; R72-L317 HydrophobicContact CB-CD2 4.24Å
73	G	97.2	Very high	92.3	Very high	8 Å²	8	25.2 Å²	25.2	8%	0.082	14%	0.144	C	C	.	.	H	α-helix	trans	-59.4	-45.7	173	0	0	0	0	0	112.2	E69 M70 F75 V76 R77	E69-G73 PolarHBondContact O-N 3.39Å; M70-G73 PolarHBondContact O-N 2.8Å; G73-F75 VanDerWaalsContact C-N 3.34Å; G73-F75 PolarHBondContact O-N 2.97Å; G73-V76 PolarHBondContact O-N 2.85Å; G73-R77 PolarHBondContact O-N 2.74Å
74	C	96.9	Very high	94	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.02	11%	0.107	C	C	.	.	H	α-helix	trans	-60.7	-42.7	176.1	-166.9	0	0	0	0	111.9	L39 M70 H71 R77 V78	L39-C74 HydrophobicContact CD2-CB 3.89Å; L39-C74 HydrophobicContact CG-CB 3.94Å; M70-C74 VanDerWaalsContact O-CB 3.25Å; M70-C74 WeakPolarHBondContact O-CB 3.5Å; M70-C74 PolarHBondContact O-N 3.18Å; H71-C74 WeakPolarHBondContact O-CB 3.35Å; H71-C74 PolarHBondContact O-N 3.23Å; C74-R77 PolarHBondContact O-N 2.91Å; C74-R77 PolarHBondContact SG-NH2 2.65Å; C74-R77 VanDerWaalsContact SG-NH2 3.42Å; C74-V78 WeakPolarHBondContact O-CB 3.21Å; C74-V78 WeakPolarHBondContact O-CG2 3.4Å; C74-V78 PolarHBondContact O-N 3.33Å
75	F	98	Very high	95.3	Very high	3 Å²	3	18.3 Å²	18.3	1%	0.013	10%	0.095	C	C	.	.	H	α-helix	trans	-58.5	-48.8	173.9	167.7	-89.1	0	0	0	112	Y48 W49 H71 R72 G73 R77 V78 K79 F293 F297 T301 I305	Y48-F75 HydrophobicContact CD1-CB 3.66Å; Y48-F75 HydrophobicContact CD1-CD2 4.29Å; Y48-F75 HydrophobicContact CD1-CG 4.12Å; Y48-F75 HydrophobicContact CE1-CB 4.4Å; Y48-F75 HydrophobicContact CG-CB 4.47Å; W49-F75 HydrophobicContact CE3-CB 4.35Å; W49-F75 HydrophobicContact CE3-CD2 4.06Å; W49-F75 HydrophobicContact CZ3-CB 4.15Å; H71-F75 WeakPolarHBondContact O-CB 3.19Å; H71-F75 PolarHBondContact O-N 3.06Å; R72-F75 WeakPolarHBondContact O-CB 3.25Å; R72-F75 PolarHBondContact O-N 2.96Å; G73-F75 VanDerWaalsContact C-N 3.34Å; G73-F75 PolarHBondContact O-N 2.97Å; F75-R77 VanDerWaalsContact C-N 3.32Å; F75-R77 PolarHBondContact O-N 2.87Å; F75-V78 PolarHBondContact O-N 3.26Å; F75-K79 HydrophobicContact CD2-CG 3.75Å; F75-K79 HydrophobicContact CE2-CB 4.25Å; F75-K79 HydrophobicContact CE2-CD 4.44Å; F75-K79 HydrophobicContact CE2-CG 3.41Å; F75-K79 VanDerWaalsContact CE2-CG 3.41Å; F75-K79 HydrophobicContact CG-CG 4.44Å; F75-K79 HydrophobicContact CZ-CB 4.18Å; F75-K79 HydrophobicContact CZ-CG 3.81Å; F75-K79 VanDerWaalsContact O-CB 3.29Å; F75-K79 WeakPolarHBondContact O-CB 3.37Å; F75-K79 PolarHBondContact O-N 2.93Å; F75-F293 HydrophobicContact CD1-CE2 4.31Å; F75-F293 HydrophobicContact CE1-CD2 4.48Å; F75-F293 HydrophobicContact CE1-CE2 4.25Å; F75-F297 HydrophobicContact CE1-CE1 4.3Å; F75-F297 HydrophobicContact CE1-CE2 4.3Å; F75-F297 HydrophobicContact CE1-CZ 4.18Å; F75-F297 HydrophobicContact CZ-CD1 4.49Å; F75-F297 HydrophobicContact CZ-CE1 4.28Å; F75-T301 HydrophobicContact CE1-CG2 4.35Å; F75-T301 HydrophobicContact CE2-CG2 4.46Å; F75-T301 HydrophobicContact CZ-CG2 3.59Å; F75-I305 HydrophobicContact CD1-CD1 4.42Å; F75-I305 HydrophobicContact CD1-CG1 4.01Å; F75-I305 HydrophobicContact CD1-CG2 4.29Å; F75-I305 HydrophobicContact CD2-CD1 3.62Å; F75-I305 HydrophobicContact CD2-CG1 4.06Å; F75-I305 HydrophobicContact CE1-CD1 4.37Å; F75-I305 HydrophobicContact CE1-CG1 3.73Å; F75-I305 HydrophobicContact CE2-CD1 3.51Å; F75-I305 HydrophobicContact CE2-CG1 3.75Å; F75-I305 HydrophobicContact CG-CD1 4.1Å; F75-I305 HydrophobicContact CG-CG1 4.19Å; F75-I305 HydrophobicContact CZ-CD1 3.94Å; F75-I305 HydrophobicContact CZ-CG1 3.61Å
76	V	98	Very high	96.2	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.3	-44.9	-179.5	174.4	0	0	0	0	110.6	R72 G73 G80 A289 F293 F297 L321 F326	R72-V76 WeakPolarHBondContact O-CG2 3.38Å; R72-V76 PolarHBondContact O-N 2.77Å; G73-V76 PolarHBondContact O-N 2.85Å; V76-G80 WeakPolarHBondContact O-CA 3.46Å; V76-G80 PolarHBondContact O-N 3Å; V76-A289 HydrophobicContact CG1-CB 3.93Å; V76-F293 HydrophobicContact CG1-CB 4.43Å; V76-F293 HydrophobicContact CG2-CB 3.67Å; V76-F293 HydrophobicContact CG2-CD2 3.4Å; V76-F293 VanDerWaalsContact CG2-CD2 3.4Å; V76-F293 HydrophobicContact CG2-CE2 4.21Å; V76-F293 HydrophobicContact CG2-CG 3.65Å; V76-F297 HydrophobicContact CG1-CE2 4.49Å; V76-L321 HydrophobicContact CB-CD2 3.97Å; V76-L321 HydrophobicContact CG1-CD2 4.15Å; V76-L321 HydrophobicContact CG2-CD1 4.31Å; V76-L321 HydrophobicContact CG2-CD2 3.91Å; V76-F326 HydrophobicContact CG1-CE2 4.09Å; V76-F326 HydrophobicContact CG1-CZ 4.39Å; V76-F326 WeakPolarHBondContact O-CZ 3.22Å
77	R	98.2	Very high	96.5	Very high	27 Å²	27	15.5 Å²	15.5	10%	0.102	8%	0.076	C	C	.	.	H	α-helix	trans	-56.5	-60.8	174.8	177.8	175.4	68	152.4	-6.3	112.1	G73 C74 F75 K79 G80 I81 E205 Y235	G73-R77 PolarHBondContact O-N 2.74Å; C74-R77 PolarHBondContact O-N 2.91Å; C74-R77 PolarHBondContact SG-NH2 2.65Å; C74-R77 VanDerWaalsContact SG-NH2 3.42Å; F75-R77 VanDerWaalsContact C-N 3.32Å; F75-R77 PolarHBondContact O-N 2.87Å; R77-K79 PolarHBondContact O-N 3.11Å; R77-G80 PolarHBondContact O-N 3.44Å; R77-I81 HydrophobicContact CG-CD1 4.26Å; R77-I81 WeakPolarHBondContact O-CG1 3.41Å; R77-I81 PolarHBondContact O-N 3.2Å; R77-E205 WeakPolarHBondContact CD-OE1 3.46Å; R77-E205 HydrophobicContact CG-CG 4.21Å; R77-E205 WeakPolarHBondContact CG-OE1 3.42Å; R77-E205 IonicContact CZ-OE1 2.65Å; R77-E205 VanDerWaalsContact CZ-OE1 3.28Å; R77-E205 IonicContact NE-OE1 3.65Å; R77-E205 PolarHBondContact NE-OE1 2.75Å; R77-E205 VanDerWaalsContact NE-OE1 3.17Å; R77-E205 IonicContact NH1-OE1 3.98Å; R77-E205 PolarHBondContact NH1-OE1 3.23Å; R77-E205 VanDerWaalsContact NH1-OE1 3.12Å; R77-Y235 HydrophobicContact CB-CE1 3.87Å; R77-Y235 HydrophobicContact CB-CE2 4.37Å; R77-Y235 HydrophobicContact CG-CD1 3.72Å; R77-Y235 HydrophobicContact CG-CE1 3.44Å; R77-Y235 VanDerWaalsContact CG-CE1 3.44Å; R77-Y235 HydrophobicContact CG-CG 4.37Å
78	V	98.1	Very high	96.6	Very high	12 Å²	12	13.8 Å²	13.8	7%	0.073	7%	0.066	C	C	.	.	H	α-helix	trans	-62.1	-48.9	-174.5	170.8	0	0	0	0	111.1	K40 W49 C74 F75 E82	K40-V78 HydrophobicContact CD-CG2 4.17Å; K40-V78 HydrophobicContact CG-CG2 4.09Å; W49-V78 HydrophobicContact CD2-CG1 4.46Å; W49-V78 HydrophobicContact CH2-CB 4.48Å; W49-V78 HydrophobicContact CH2-CG2 4.14Å; W49-V78 HydrophobicContact CZ2-CB 4.32Å; W49-V78 HydrophobicContact CZ2-CG1 4.12Å; W49-V78 HydrophobicContact CZ2-CG2 4.02Å; C74-V78 WeakPolarHBondContact O-CB 3.21Å; C74-V78 WeakPolarHBondContact O-CG2 3.4Å; C74-V78 PolarHBondContact O-N 3.33Å; F75-V78 PolarHBondContact O-N 3.26Å; V78-E82 VanDerWaalsContact O-CB 3.27Å; V78-E82 WeakPolarHBondContact O-CB 3.44Å; V78-E82 PolarHBondContact O-N 3.4Å
79	K	97.5	Very high	96.6	Very high	46 Å²	46	13.6 Å²	13.6	20%	0.2	6%	0.064	C	C	.	.	H	α-helix	trans	-74.5	-30.6	-177.7	-68.9	-54.7	-51.6	-179.5	0	112.8	W49 F75 R77 E82 T83 F297	W49-K79 HydrophobicContact CB-CD 4.28Å; F75-K79 HydrophobicContact CD2-CG 3.75Å; F75-K79 HydrophobicContact CE2-CB 4.25Å; F75-K79 HydrophobicContact CE2-CD 4.44Å; F75-K79 HydrophobicContact CE2-CG 3.41Å; F75-K79 VanDerWaalsContact CE2-CG 3.41Å; F75-K79 HydrophobicContact CG-CG 4.44Å; F75-K79 HydrophobicContact CZ-CB 4.18Å; F75-K79 HydrophobicContact CZ-CG 3.81Å; F75-K79 VanDerWaalsContact O-CB 3.29Å; F75-K79 WeakPolarHBondContact O-CB 3.37Å; F75-K79 PolarHBondContact O-N 2.93Å; R77-K79 PolarHBondContact O-N 3.11Å; K79-E82 WeakPolarHBondContact CD-OE2 3.26Å; K79-E82 WeakPolarHBondContact CE-OE2 3.29Å; K79-E82 IonicContact NZ-OE1 2.85Å; K79-E82 PolarHBondContact NZ-OE1 3.49Å; K79-E82 VanDerWaalsContact NZ-OE1 3.14Å; K79-E82 IonicContact NZ-OE2 3.16Å; K79-E82 PolarHBondContact NZ-OE2 3.28Å; K79-T83 WeakPolarHBondContact O-CB 3.48Å; K79-T83 PolarHBondContact O-N 2.85Å; K79-T83 PolarHBondContact O-OG1 2.79Å; K79-T83 VanDerWaalsContact O-OG1 3.07Å; K79-F297 HydrophobicContact CB-CE1 3.58Å; K79-F297 HydrophobicContact CB-CZ 3.54Å
80	G	97.1	Very high	96.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.6	-49.3	173.7	0	0	0	0	0	111.2	V76 R77 T83 I84 F340	V76-G80 WeakPolarHBondContact O-CA 3.46Å; V76-G80 PolarHBondContact O-N 3Å; R77-G80 PolarHBondContact O-N 3.44Å; G80-T83 PolarHBondContact O-N 3.42Å; G80-I84 PolarHBondContact O-N 2.87Å; G80-F340 WeakPolarHBondContact O-CE1 3.46Å
81	I	98.1	Very high	96.6	Very high	10 Å²	10	19.3 Å²	19.3	5%	0.051	11%	0.108	C	C	.	.	H	α-helix	trans	-61.8	-51.3	176.3	-68.1	168.8	0	0	0	111	R77 T83 I84 V85 V203 E205 L233 F326	R77-I81 HydrophobicContact CG-CD1 4.26Å; R77-I81 WeakPolarHBondContact O-CG1 3.41Å; R77-I81 PolarHBondContact O-N 3.2Å; I81-T83 PolarHBondContact O-N 3.1Å; I81-I84 PolarHBondContact O-N 2.86Å; I81-I84 VanDerWaalsContact O-N 3.09Å; I81-V85 HydrophobicContact CG2-CG2 4.24Å; I81-V85 WeakPolarHBondContact O-CG2 3.45Å; I81-V85 PolarHBondContact O-N 2.67Å; I81-V203 HydrophobicContact CG2-CG1 3.99Å; I81-E205 HydrophobicContact CD1-CB 3.69Å; I81-E205 HydrophobicContact CD1-CG 3.45Å; I81-E205 VanDerWaalsContact CD1-CG 3.45Å; I81-E205 WeakPolarHBondContact CD1-OE2 3.4Å; I81-L233 HydrophobicContact CB-CD2 4.33Å; I81-L233 HydrophobicContact CG1-CD2 4.25Å; I81-L233 HydrophobicContact CG2-CD2 4.11Å; I81-F326 HydrophobicContact CG1-CE1 4.09Å
82	E	97.5	Very high	96.4	Very high	7 Å²	7	20.7 Å²	20.7	3%	0.033	11%	0.114	C	C	.	.	H	α-helix	trans	-56.2	-39.2	-179.1	177.7	176.5	171.1	0	0	112.2	V78 K79 V85 R86 L108 K111	V78-E82 VanDerWaalsContact O-CB 3.27Å; V78-E82 WeakPolarHBondContact O-CB 3.44Å; V78-E82 PolarHBondContact O-N 3.4Å; K79-E82 WeakPolarHBondContact CD-OE2 3.26Å; K79-E82 WeakPolarHBondContact CE-OE2 3.29Å; K79-E82 IonicContact NZ-OE1 2.85Å; K79-E82 PolarHBondContact NZ-OE1 3.49Å; K79-E82 VanDerWaalsContact NZ-OE1 3.14Å; K79-E82 IonicContact NZ-OE2 3.16Å; K79-E82 PolarHBondContact NZ-OE2 3.28Å; E82-V85 PolarHBondContact O-N 3.14Å; E82-R86 HydrophobicContact CG-CG 4.4Å; E82-R86 WeakPolarHBondContact O-CB 3.34Å; E82-R86 WeakPolarHBondContact O-CG 3.49Å; E82-R86 PolarHBondContact O-N 2.88Å; E82-R86 IonicContact OE1-CZ 3.46Å; E82-R86 VanDerWaalsContact OE1-CZ 3.3Å; E82-R86 IonicContact OE1-NE 3.48Å; E82-R86 PolarHBondContact OE1-NE 2.77Å; E82-R86 IonicContact OE1-NH2 3.44Å; E82-R86 PolarHBondContact OE1-NH2 3.05Å; E82-L108 HydrophobicContact CB-CD1 4.13Å; E82-L108 HydrophobicContact CG-CD1 3.71Å; E82-K111 IonicContact OE1-NZ 2.69Å; E82-K111 IonicContact OE2-NZ 2.82Å; E82-K111 PolarHBondContact OE2-NZ 2.84Å
83	T	95.5	Very high	96.3	Very high	23 Å²	23	21 Å²	21	14%	0.141	12%	0.121	C	C	.	.	H	α-helix	trans	-61.5	-47.4	177.2	-72.4	0	0	0	0	111.9	K79 G80 I81 V85 R86 Q87 F343	K79-T83 WeakPolarHBondContact O-CB 3.48Å; K79-T83 PolarHBondContact O-N 2.85Å; K79-T83 PolarHBondContact O-OG1 2.79Å; K79-T83 VanDerWaalsContact O-OG1 3.07Å; G80-T83 PolarHBondContact O-N 3.42Å; I81-T83 PolarHBondContact O-N 3.1Å; T83-V85 VanDerWaalsContact C-N 3.34Å; T83-V85 PolarHBondContact O-N 3.07Å; T83-R86 PolarHBondContact O-N 3.2Å; T83-Q87 HydrophobicContact CG2-CG 4.3Å; T83-Q87 WeakPolarHBondContact O-CG 3.37Å; T83-Q87 PolarHBondContact O-N 2.82Å; T83-F343 HydrophobicContact CG2-CD1 3.86Å; T83-F343 HydrophobicContact CG2-CD2 4.47Å; T83-F343 HydrophobicContact CG2-CE1 3.51Å; T83-F343 HydrophobicContact CG2-CE2 4.12Å; T83-F343 HydrophobicContact CG2-CG 4.35Å; T83-F343 HydrophobicContact CG2-CZ 3.64Å; T83-F343 WeakPolarHBondContact OG1-CE1 2.89Å
84	I	95.9	Very high	96.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66	-40	-179.2	-61.8	-56.5	0	0	0	111	G80 I81 R86 Q87 F88 L201 L233 I328 L338 F340	G80-I84 PolarHBondContact O-N 2.87Å; I81-I84 PolarHBondContact O-N 2.86Å; I81-I84 VanDerWaalsContact O-N 3.09Å; I84-R86 PolarHBondContact O-N 2.81Å; I84-Q87 PolarHBondContact O-N 3.26Å; I84-F88 WeakPolarHBondContact O-CB 3.39Å; I84-F88 PolarHBondContact O-N 3.25Å; I84-L201 HydrophobicContact CG2-CD1 4.47Å; I84-L201 HydrophobicContact CG2-CD2 4.37Å; I84-L233 HydrophobicContact CB-CD1 4.44Å; I84-L233 HydrophobicContact CB-CD2 3.74Å; I84-L233 HydrophobicContact CG1-CD1 4.23Å; I84-L233 HydrophobicContact CG1-CD2 4.29Å; I84-L233 HydrophobicContact CG2-CB 4.45Å; I84-L233 HydrophobicContact CG2-CD1 4.28Å; I84-L233 HydrophobicContact CG2-CD2 3.82Å; I84-L233 HydrophobicContact CG2-CG 4.42Å; I84-I328 HydrophobicContact CD1-CD1 3.8Å; I84-I328 HydrophobicContact CG1-CD1 4.14Å; I84-I328 HydrophobicContact CG2-CD1 4.11Å; I84-L338 HydrophobicContact CG2-CD1 4.1Å; I84-F340 HydrophobicContact CD1-CD1 4.21Å; I84-F340 HydrophobicContact CD1-CD2 4.07Å; I84-F340 HydrophobicContact CD1-CE1 3.99Å; I84-F340 HydrophobicContact CD1-CE2 3.86Å; I84-F340 HydrophobicContact CD1-CG 4.25Å; I84-F340 HydrophobicContact CD1-CZ 3.82Å; I84-F340 HydrophobicContact CG1-CD1 4.43Å; I84-F340 HydrophobicContact CG1-CD2 4.49Å; I84-F340 HydrophobicContact CG1-CE1 3.72Å; I84-F340 HydrophobicContact CG1-CE2 3.8Å; I84-F340 HydrophobicContact CG1-CZ 3.36Å
85	V	97.4	Very high	96.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.3	-45.2	174.7	175.4	0	0	0	0	111.1	I81 E82 T83 F88 L89 V98 L108 L112 L201 V203	I81-V85 HydrophobicContact CG2-CG2 4.24Å; I81-V85 WeakPolarHBondContact O-CG2 3.45Å; I81-V85 PolarHBondContact O-N 2.67Å; E82-V85 PolarHBondContact O-N 3.14Å; T83-V85 VanDerWaalsContact C-N 3.34Å; T83-V85 PolarHBondContact O-N 3.07Å; V85-F88 WeakPolarHBondContact O-CB 3.21Å; V85-F88 PolarHBondContact O-N 2.8Å; V85-L89 HydrophobicContact CG1-CD1 4.07Å; V85-L89 WeakPolarHBondContact O-CG 3.35Å; V85-L89 PolarHBondContact O-N 2.82Å; V85-V98 HydrophobicContact CG1-CG2 4.14Å; V85-L108 HydrophobicContact CB-CD2 3.94Å; V85-L108 HydrophobicContact CG1-CD2 3.88Å; V85-L108 HydrophobicContact CG2-CD2 3.78Å; V85-L112 HydrophobicContact CG1-CD1 3.97Å; V85-L201 HydrophobicContact CB-CD2 4.18Å; V85-L201 HydrophobicContact CG2-CD2 3.72Å; V85-V203 HydrophobicContact CG2-CG2 4.14Å
86	R	96.3	Very high	96	Very high	64 Å²	64	28.7 Å²	28.7	24%	0.242	16%	0.163	C	C	.	.	H	α-helix	trans	-67.5	-38.5	177.3	-72.5	179.7	-175	-89.3	4.6	112.9	E82 T83 I84 F88 L89 A90 L112 D115	E82-R86 HydrophobicContact CG-CG 4.4Å; E82-R86 WeakPolarHBondContact O-CB 3.34Å; E82-R86 WeakPolarHBondContact O-CG 3.49Å; E82-R86 PolarHBondContact O-N 2.88Å; E82-R86 IonicContact OE1-CZ 3.46Å; E82-R86 VanDerWaalsContact OE1-CZ 3.3Å; E82-R86 IonicContact OE1-NE 3.48Å; E82-R86 PolarHBondContact OE1-NE 2.77Å; E82-R86 IonicContact OE1-NH2 3.44Å; E82-R86 PolarHBondContact OE1-NH2 3.05Å; T83-R86 PolarHBondContact O-N 3.2Å; I84-R86 PolarHBondContact O-N 2.81Å; R86-F88 VanDerWaalsContact C-N 3.33Å; R86-L89 PolarHBondContact O-N 2.77Å; R86-A90 VanDerWaalsContact O-CB 3.26Å; R86-A90 WeakPolarHBondContact O-CB 3.5Å; R86-A90 PolarHBondContact O-N 3.38Å; R86-L112 HydrophobicContact CG-CD2 3.83Å; R86-D115 IonicContact CZ-OD2 2.64Å; R86-D115 VanDerWaalsContact CZ-OD2 3.22Å; R86-D115 IonicContact NH1-OD2 3.85Å; R86-D115 PolarHBondContact NH1-OD2 2.85Å; R86-D115 IonicContact NH2-OD2 3.14Å; R86-D115 PolarHBondContact NH2-OD2 3.47Å
87	Q	94.5	Very high	96	Very high	43 Å²	43	28.7 Å²	28.7	20%	0.201	16%	0.163	C	C	.	.	H	α-helix	trans	-61.4	-43.2	174	-74.4	179.7	13.7	0	0	111.2	T83 I84 A90 V91 L338 S339	T83-Q87 HydrophobicContact CG2-CG 4.3Å; T83-Q87 WeakPolarHBondContact O-CG 3.37Å; T83-Q87 PolarHBondContact O-N 2.82Å; I84-Q87 PolarHBondContact O-N 3.26Å; Q87-A90 PolarHBondContact O-N 2.95Å; Q87-V91 WeakPolarHBondContact O-CG2 3.49Å; Q87-V91 PolarHBondContact O-N 2.77Å; Q87-L338 HydrophobicContact CB-CD2 3.66Å; Q87-S339 PolarHBondContact NE2-O 3.14Å; Q87-S339 VanDerWaalsContact OE1-N 3.11Å; Q87-S339 PolarHBondContact OE1-O 2.61Å; Q87-S339 VanDerWaalsContact OE1-O 3.1Å
88	F	95.3	Very high	96	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-59.4	-51.5	174.7	172.3	-96.5	0	0	0	111.3	I84 V85 R86 A90 V91 Y92 Q97 V98 P199 L201 I231 L338	I84-F88 WeakPolarHBondContact O-CB 3.39Å; I84-F88 PolarHBondContact O-N 3.25Å; V85-F88 WeakPolarHBondContact O-CB 3.21Å; V85-F88 PolarHBondContact O-N 2.8Å; R86-F88 VanDerWaalsContact C-N 3.33Å; F88-A90 VanDerWaalsContact C-N 3.3Å; F88-A90 PolarHBondContact O-N 3.27Å; F88-V91 PolarHBondContact O-N 3.25Å; F88-Y92 HydrophobicContact CD1-CD2 4.37Å; F88-Y92 AromaticContact CD2-CD2 3.41Å; F88-Y92 HydrophobicContact CD2-CD2 3.41Å; F88-Y92 VanDerWaalsContact CD2-CD2 3.41Å; F88-Y92 AromaticContact CD2-CE2 3.34Å; F88-Y92 HydrophobicContact CD2-CE2 3.34Å; F88-Y92 HydrophobicContact CE1-CD2 4.24Å; F88-Y92 AromaticContact CE2-CD2 3.25Å; F88-Y92 HydrophobicContact CE2-CD2 3.25Å; F88-Y92 AromaticContact CE2-CE2 3.29Å; F88-Y92 HydrophobicContact CE2-CE2 3.29Å; F88-Y92 HydrophobicContact CE2-CG 4.31Å; F88-Y92 AromaticContact CG-CD2 3.98Å; F88-Y92 HydrophobicContact CG-CD2 3.98Å; F88-Y92 HydrophobicContact CG-CE2 4.26Å; F88-Y92 AromaticContact CZ-CD2 3.69Å; F88-Y92 HydrophobicContact CZ-CD2 3.69Å; F88-Y92 HydrophobicContact CZ-CE2 4.18Å; F88-Y92 HydrophobicContact CZ-CG 4.45Å; F88-Y92 WeakPolarHBondContact O-CD2 3.42Å; F88-Y92 PolarHBondContact O-N 3.28Å; F88-Q97 VanDerWaalsContact CE1-O 3.23Å; F88-Q97 WeakPolarHBondContact CE1-O 3.29Å; F88-Q97 WeakPolarHBondContact CZ-O 3.29Å; F88-V98 HydrophobicContact CD1-CG2 4.29Å; F88-V98 HydrophobicContact CE1-CG2 4.29Å; F88-P199 HydrophobicContact CE2-CB 4.25Å; F88-P199 HydrophobicContact CZ-CB 4.2Å; F88-L201 HydrophobicContact CB-CB 4.35Å; F88-L201 HydrophobicContact CB-CD2 3.84Å; F88-L201 HydrophobicContact CD1-CB 3.69Å; F88-L201 HydrophobicContact CD1-CD2 4.3Å; F88-L201 HydrophobicContact CD2-CB 3.75Å; F88-L201 HydrophobicContact CE1-CB 3.84Å; F88-L201 HydrophobicContact CE2-CB 3.9Å; F88-L201 HydrophobicContact CG-CB 3.66Å; F88-L201 HydrophobicContact CG-CD2 4.06Å; F88-L201 HydrophobicContact CG-CG 4.42Å; F88-L201 HydrophobicContact CZ-CB 3.96Å; F88-I231 HydrophobicContact CD2-CD1 4.28Å; F88-L338 HydrophobicContact CB-CD1 3.93Å; F88-L338 HydrophobicContact CB-CD2 4.26Å; F88-L338 HydrophobicContact CD2-CD1 4.29Å
89	L	96	Very high	96	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-67.7	-28.2	-179.9	-66.4	176.8	0	0	0	113	V85 R86 V91 G93 V98 L112 V117 L119	V85-L89 HydrophobicContact CG1-CD1 4.07Å; V85-L89 WeakPolarHBondContact O-CG 3.35Å; V85-L89 PolarHBondContact O-N 2.82Å; R86-L89 PolarHBondContact O-N 2.77Å; L89-V91 PolarHBondContact O-N 3.04Å; L89-G93 WeakPolarHBondContact O-CA 3.46Å; L89-G93 PolarHBondContact O-N 3.49Å; L89-V98 HydrophobicContact CD1-CG2 4.39Å; L89-V98 HydrophobicContact CD2-CG2 4.12Å; L89-V98 HydrophobicContact CG-CG2 4.38Å; L89-L112 HydrophobicContact CD1-CD1 3.74Å; L89-L112 HydrophobicContact CD1-CD2 4.14Å; L89-V117 HydrophobicContact CB-CG1 3.75Å; L89-V117 HydrophobicContact CD1-CG1 3.76Å; L89-V117 HydrophobicContact CG-CG1 4.39Å; L89-L119 HydrophobicContact CD1-CB 4.17Å; L89-L119 HydrophobicContact CD2-CB 3.5Å; L89-L119 HydrophobicContact CG-CB 4.45Å
90	A	94.4	Very high	96.1	Very high	88 Å²	88	25.3 Å²	25.3	73%	0.727	15%	0.15	S	C	*	.	H	α-helix	trans	-66.7	-27.3	171.4	0	0	0	0	0	112.6	R86 Q87 F88	R86-A90 VanDerWaalsContact O-CB 3.26Å; R86-A90 WeakPolarHBondContact O-CB 3.5Å; R86-A90 PolarHBondContact O-N 3.38Å; Q87-A90 PolarHBondContact O-N 2.95Å; F88-A90 VanDerWaalsContact C-N 3.3Å; F88-A90 PolarHBondContact O-N 3.27Å
91	V	92.8	Very high	96.2	Very high	49 Å²	49	25.3 Å²	25.3	30%	0.297	15%	0.15	S	C	.	.	H	α-helix	trans	-84	-41.8	177.9	173.4	0	0	0	0	112	Q87 F88 L89 R337	Q87-V91 WeakPolarHBondContact O-CG2 3.49Å; Q87-V91 PolarHBondContact O-N 2.77Å; F88-V91 PolarHBondContact O-N 3.25Å; L89-V91 PolarHBondContact O-N 3.04Å; V91-R337 HydrophobicContact CG2-CB 4.22Å
92	Y	93.5	Very high	96.2	Very high	33 Å²	33	26 Å²	26	13%	0.129	16%	0.16	C	C	.	.	H	α-helix	trans	-107.4	-18.1	-171.7	-56.8	-71.5	0	0	0	115	F88 S94 Q95 P199 Y334	F88-Y92 HydrophobicContact CD1-CD2 4.37Å; F88-Y92 AromaticContact CD2-CD2 3.41Å; F88-Y92 HydrophobicContact CD2-CD2 3.41Å; F88-Y92 VanDerWaalsContact CD2-CD2 3.41Å; F88-Y92 AromaticContact CD2-CE2 3.34Å; F88-Y92 HydrophobicContact CD2-CE2 3.34Å; F88-Y92 HydrophobicContact CE1-CD2 4.24Å; F88-Y92 AromaticContact CE2-CD2 3.25Å; F88-Y92 HydrophobicContact CE2-CD2 3.25Å; F88-Y92 AromaticContact CE2-CE2 3.29Å; F88-Y92 HydrophobicContact CE2-CE2 3.29Å; F88-Y92 HydrophobicContact CE2-CG 4.31Å; F88-Y92 AromaticContact CG-CD2 3.98Å; F88-Y92 HydrophobicContact CG-CD2 3.98Å; F88-Y92 HydrophobicContact CG-CE2 4.26Å; F88-Y92 AromaticContact CZ-CD2 3.69Å; F88-Y92 HydrophobicContact CZ-CD2 3.69Å; F88-Y92 HydrophobicContact CZ-CE2 4.18Å; F88-Y92 HydrophobicContact CZ-CG 4.45Å; F88-Y92 WeakPolarHBondContact O-CD2 3.42Å; F88-Y92 PolarHBondContact O-N 3.28Å; Y92-S94 PolarHBondContact O-N 2.82Å; Y92-Q95 PolarHBondContact O-N 3.45Å; Y92-P199 HydrophobicContact CD1-CB 3.63Å; Y92-P199 HydrophobicContact CD1-CG 3.48Å; Y92-P199 VanDerWaalsContact CD1-CG 3.48Å; Y92-P199 HydrophobicContact CD2-CB 4.07Å; Y92-P199 HydrophobicContact CE1-CB 3.75Å; Y92-P199 HydrophobicContact CE1-CG 3.67Å; Y92-P199 HydrophobicContact CE2-CB 4.21Å; Y92-P199 HydrophobicContact CG-CB 3.79Å; Y92-P199 HydrophobicContact CG-CG 4.08Å; Y92-Y334 HydrophobicContact CE1-CD1 4.01Å; Y92-Y334 HydrophobicContact CE1-CD2 4.47Å; Y92-Y334 HydrophobicContact CE1-CE1 4.35Å; Y92-Y334 HydrophobicContact CE1-CG 4.08Å; Y92-Y334 WeakPolarHBondContact OH-CB 3.3Å
93	G	93.8	Very high	96.2	Very high	19 Å²	19	26.1 Å²	26.1	20%	0.196	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	46.6	-127.8	-178.9	0	0	0	0	0	111.9	L89 Q95 G96 A118 L119	L89-G93 WeakPolarHBondContact O-CA 3.46Å; L89-G93 PolarHBondContact O-N 3.49Å; G93-Q95 PolarHBondContact O-N 3.02Å; G93-G96 PolarHBondContact O-N 3.33Å; G93-A118 CarbonylContact C-O 3.53Å; G93-A118 WeakPolarHBondContact CA-O 3.47Å; G93-L119 WeakPolarHBondContact O-CA 3.38Å
94	S	95.7	Very high	96.3	Very high	80 Å²	80	25.2 Å²	25.2	56%	0.559	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-63.8	-2.9	-178.8	-47.5	0	0	0	0	116.2	Y92 K120	Y92-S94 PolarHBondContact O-N 2.82Å; S94-K120 WeakPolarHBondContact O-CA 3.35Å; S94-K120 VanDerWaalsContact O-CB 3.3Å; S94-K120 WeakPolarHBondContact O-CB 3.34Å
95	Q	94.3	Very high	96.3	Very high	95 Å²	95	25.6 Å²	25.6	44%	0.444	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-98.8	-15.1	168.8	-58.9	-56.1	-21.6	0	0	112.9	Y92 G93	Y92-Q95 PolarHBondContact O-N 3.45Å; G93-Q95 PolarHBondContact O-N 3.02Å
96	G	95.8	Very high	96.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.164	C	C	.	.			trans	-74.7	127.2	-177.8	0	0	0	0	0	112.2	G93 K120	G93-G96 PolarHBondContact O-N 3.33Å; G96-K120 WeakPolarHBondContact O-CB 3.18Å; G96-K120 PolarHBondContact O-N 3.47Å
97	Q	97.5	Very high	96.4	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.8	173.6	-56	176.7	107.1	0	0	109.8	F88 K120 L194 D195 P199 I200 L201	F88-Q97 VanDerWaalsContact CE1-O 3.23Å; F88-Q97 WeakPolarHBondContact CE1-O 3.29Å; F88-Q97 WeakPolarHBondContact CZ-O 3.29Å; Q97-K120 HydrophobicContact CG-CB 4.05Å; Q97-K120 HydrophobicContact CG-CD 4.01Å; Q97-K120 HydrophobicContact CG-CG 4.28Å; Q97-L194 HydrophobicContact CB-CD2 4.2Å; Q97-D195 PolarHBondContact NE2-O 3.48Å; Q97-P199 PolarHBondContact N-O 2.75Å; Q97-I200 HydrophobicContact CB-CB 4.25Å; Q97-I200 HydrophobicContact CB-CD1 4.49Å; Q97-I200 HydrophobicContact CB-CG1 4.02Å; Q97-I200 CarbonylContact O-C 3.58Å; Q97-I200 WeakPolarHBondContact O-CA 3.2Å; Q97-L201 PolarHBondContact O-N 2.97Å
98	V	98.6	Very high	96.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.1	173.1	-177.5	0	0	0	0	108.8	V85 F88 L89 C121 F122 V123 L201 V203	V85-V98 HydrophobicContact CG1-CG2 4.14Å; F88-V98 HydrophobicContact CD1-CG2 4.29Å; F88-V98 HydrophobicContact CE1-CG2 4.29Å; L89-V98 HydrophobicContact CD1-CG2 4.39Å; L89-V98 HydrophobicContact CD2-CG2 4.12Å; L89-V98 HydrophobicContact CG-CG2 4.38Å; V98-C121 PolarHBondContact N-O 3.08Å; V98-F122 HydrophobicContact CB-CD2 3.7Å; V98-F122 HydrophobicContact CB-CE2 3.8Å; V98-F122 HydrophobicContact CB-CG 4.23Å; V98-F122 HydrophobicContact CB-CZ 4.41Å; V98-F122 HydrophobicContact CG1-CD2 3.97Å; V98-F122 HydrophobicContact CG1-CE1 4.37Å; V98-F122 HydrophobicContact CG1-CE2 3.53Å; V98-F122 HydrophobicContact CG1-CZ 3.76Å; V98-F122 HydrophobicContact CG2-CD2 4.21Å; V98-F122 HydrophobicContact CG2-CE2 4.28Å; V98-F122 CarbonylContact O-C 3.56Å; V98-F122 WeakPolarHBondContact O-CA 3.35Å; V98-V123 PolarHBondContact O-N 3.04Å; V98-L201 CarbonylContact C-O 3.56Å; V98-L201 WeakPolarHBondContact CA-O 3.19Å; V98-V203 HydrophobicContact CG1-CG2 4.41Å
99	L	98.7	Very high	96.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	107.7	174.2	172.6	60.8	0	0	0	109.1	L101 V123 V125 F188 L194 I200 L201 I202 V203 L223	L99-L101 HydrophobicContact CD1-CD2 3.71Å; L99-L101 HydrophobicContact CD2-CD2 4.06Å; L99-L101 HydrophobicContact CD2-CG 4.47Å; L99-L101 HydrophobicContact CG-CD2 3.8Å; L99-L101 HydrophobicContact CG-CG 4.14Å; L99-V123 CarbonylContact C-O 3.56Å; L99-V123 VanDerWaalsContact CA-O 3.29Å; L99-V123 WeakPolarHBondContact CA-O 3.33Å; L99-V123 HydrophobicContact CD1-CB 3.95Å; L99-V123 HydrophobicContact CD1-CG1 3.84Å; L99-V125 HydrophobicContact CD1-CG2 3.93Å; L99-F188 HydrophobicContact CD1-CE1 4.29Å; L99-F188 HydrophobicContact CD1-CZ 3.76Å; L99-F188 HydrophobicContact CD2-CE2 4Å; L99-F188 HydrophobicContact CD2-CZ 3.97Å; L99-L194 HydrophobicContact CD1-CD1 4.38Å; L99-L194 HydrophobicContact CD2-CD1 4.04Å; L99-I200 HydrophobicContact CB-CD1 3.87Å; L99-I200 HydrophobicContact CB-CG1 4.33Å; L99-I200 HydrophobicContact CD2-CD1 4.31Å; L99-L201 PolarHBondContact N-O 3.03Å; L99-I202 HydrophobicContact CB-CG1 4.34Å; L99-I202 HydrophobicContact CD2-CG1 4.32Å; L99-I202 HydrophobicContact CD2-CG2 4.41Å; L99-I202 HydrophobicContact CG-CG2 4.47Å; L99-I202 CarbonylContact O-C 3.54Å; L99-I202 VanDerWaalsContact O-CA 3.24Å; L99-I202 WeakPolarHBondContact O-CA 3.21Å; L99-V203 PolarHBondContact O-N 3.16Å; L99-L223 HydrophobicContact CD2-CD2 4.25Å
100	S	98.8	Very high	96.8	Very high	13 Å²	13	22.3 Å²	22.3	9%	0.091	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.3	175.5	-165.1	0	0	0	0	109.8	V123 E124 V125	S100-V123 PolarHBondContact N-O 3.19Å; S100-E124 CarbonylContact O-C 3.59Å; S100-E124 VanDerWaalsContact O-CA 3.3Å; S100-E124 WeakPolarHBondContact O-CA 3.37Å; S100-V125 PolarHBondContact O-N 3.09Å
101	L	98.8	Very high	96.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.1	178.7	-57.6	177.9	0	0	0	108.5	L99 V125 L178 L184 I202 V203 L204 V207 L219 L223	L99-L101 HydrophobicContact CD1-CD2 3.71Å; L99-L101 HydrophobicContact CD2-CD2 4.06Å; L99-L101 HydrophobicContact CD2-CG 4.47Å; L99-L101 HydrophobicContact CG-CD2 3.8Å; L99-L101 HydrophobicContact CG-CG 4.14Å; L101-V125 HydrophobicContact CD2-CB 3.72Å; L101-V125 HydrophobicContact CD2-CG1 4.45Å; L101-V125 HydrophobicContact CD2-CG2 3.58Å; L101-L178 HydrophobicContact CB-CD1 3.97Å; L101-L178 HydrophobicContact CB-CD2 4.17Å; L101-L178 HydrophobicContact CD2-CD2 3.95Å; L101-L178 HydrophobicContact CG-CD2 4.44Å; L101-L184 HydrophobicContact CD2-CD2 4.49Å; L101-I202 HydrophobicContact CD1-CG2 4.05Å; L101-I202 HydrophobicContact CG-CG2 4.4Å; L101-V203 PolarHBondContact N-O 3.37Å; L101-L204 HydrophobicContact CB-CD2 3.61Å; L101-L204 HydrophobicContact CD1-CD2 4.04Å; L101-L204 HydrophobicContact CG-CD2 4.39Å; L101-V207 WeakPolarHBondContact O-CG2 3.27Å; L101-L219 HydrophobicContact CD1-CD1 4.31Å; L101-L223 HydrophobicContact CD1-CD1 3.69Å; L101-L223 HydrophobicContact CD1-CD2 3.9Å; L101-L223 HydrophobicContact CD1-CG 4.39Å
102	G	98.2	Very high	97.2	Very high	25 Å²	25	16.5 Å²	16.5	26%	0.258	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	41	-170	0	0	0	0	0	112.2	G104 V125 D126	G102-G104 VanDerWaalsContact C-N 3.27Å; G102-G104 PolarHBondContact O-N 3.29Å; G102-V125 WeakPolarHBondContact CA-O 3.1Å; G102-V125 PolarHBondContact N-O 2.94Å; G102-D126 WeakPolarHBondContact CA-OD2 3.24Å
103	A	98.1	Very high	97.2	Very high	9 Å²	9	17.2 Å²	17.2	7%	0.074	10%	0.103	C	C	.	.			trans	-69.9	-21	-169	0	0	0	0	0	114.1	D106 E124 V125 D126	A103-D106 WeakPolarHBondContact O-CB 3.4Å; A103-D106 PolarHBondContact O-N 2.85Å; A103-E124 HydrophobicContact CB-CB 3.7Å; A103-E124 HydrophobicContact CB-CG 3.64Å; A103-V125 PolarHBondContact N-O 2.93Å; A103-D126 PolarHBondContact N-OD2 3.07Å
104	G	97.2	Very high	97.2	Very high	4 Å²	4	21.5 Å²	21.5	4%	0.041	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	-142.3	-176.8	0	0	0	0	0	112.8	N33 G102 D106 D126 K134	N33-G104 WeakPolarHBondContact OD1-CA 3.44Å; G102-G104 VanDerWaalsContact C-N 3.27Å; G102-G104 PolarHBondContact O-N 3.29Å; G104-D106 VanDerWaalsContact C-N 3.25Å; G104-D106 PolarHBondContact O-N 2.93Å; G104-D126 WeakPolarHBondContact CA-OD2 3.21Å; G104-D126 PolarHBondContact N-OD2 3.14Å; G104-K134 PolarHBondContact O-NZ 3.43Å
105	Y	97	Very high	97.2	Very high	9 Å²	9	21.4 Å²	21.4	4%	0.035	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	28.1	171	-50.4	-34.9	0	0	0	113.5	N33 D34 S37 F57 T107 I130 K133 K134	N33-Y105 VanDerWaalsContact ND2-CD2 3.26Å; N33-Y105 WeakPolarHBondContact ND2-CD2 3.35Å; N33-Y105 WeakPolarHBondContact ND2-CE2 3.34Å; N33-Y105 PolarHBondContact OD1-N 3.24Å; D34-Y105 VanDerWaalsContact OD1-CE2 3.25Å; D34-Y105 WeakPolarHBondContact OD1-CE2 3.39Å; D34-Y105 PolarHBondContact OD1-OH 3.02Å; D34-Y105 VanDerWaalsContact OD1-OH 3.08Å; S37-Y105 WeakPolarHBondContact OG-CD2 3.34Å; F57-Y105 HydrophobicContact CB-CD2 3.73Å; F57-Y105 HydrophobicContact CB-CG 3.87Å; F57-Y105 HydrophobicContact CD1-CD1 4.14Å; F57-Y105 AromaticContact CD1-CG 3.95Å; F57-Y105 HydrophobicContact CD1-CG 3.95Å; F57-Y105 HydrophobicContact CG-CD2 4.44Å; F57-Y105 HydrophobicContact CG-CG 4.09Å; Y105-T107 PolarHBondContact O-N 3.34Å; Y105-I130 HydrophobicContact CD1-CG2 4.24Å; Y105-I130 HydrophobicContact CE1-CG2 3.98Å; Y105-K133 HydrophobicContact CE1-CB 4.02Å; Y105-K133 WeakPolarHBondContact OH-CD 3.24Å; Y105-K134 HydrophobicContact CD1-CB 4.06Å; Y105-K134 HydrophobicContact CD1-CG 4.28Å; Y105-K134 HydrophobicContact CE1-CB 4.33Å
106	D	97.7	Very high	97.3	Very high	21 Å²	21	23.3 Å²	23.3	11%	0.112	13%	0.125	C	C	.	.			trans	-56.7	142.5	178.3	-161	-83.4	0	0	0	111.7	K40 A103 G104 L108 W110 K134	K40-D106 IonicContact NZ-OD2 3.22Å; K40-D106 PolarHBondContact NZ-OD2 2.91Å; A103-D106 WeakPolarHBondContact O-CB 3.4Å; A103-D106 PolarHBondContact O-N 2.85Å; G104-D106 VanDerWaalsContact C-N 3.25Å; G104-D106 PolarHBondContact O-N 2.93Å; D106-L108 WeakPolarHBondContact OD1-CB 3.24Å; D106-L108 PolarHBondContact OD1-N 3.16Å; D106-W110 WeakPolarHBondContact O-CZ3 3.39Å; D106-K134 PolarHBondContact O-NZ 2.86Å
107	T	98.1	Very high	97.3	Very high	3 Å²	3	25 Å²	25	2%	0.018	14%	0.135	C	C	.	.			trans	-110.5	3.7	-170.3	56.2	0	0	0	0	113	D51 F53 I54 F57 Y105 Y109 W110 K111	D51-T107 PolarHBondContact OD1-OG1 3.44Å; D51-T107 PolarHBondContact OD2-OG1 3.49Å; F53-T107 HydrophobicContact CB-CG2 3.71Å; I54-T107 HydrophobicContact CB-CG2 4.1Å; I54-T107 HydrophobicContact CD1-CG2 4.06Å; F57-T107 HydrophobicContact CD2-CG2 4.2Å; F57-T107 HydrophobicContact CE2-CG2 4.06Å; Y105-T107 PolarHBondContact O-N 3.34Å; T107-Y109 VanDerWaalsContact C-N 3.28Å; T107-Y109 PolarHBondContact O-N 3.35Å; T107-W110 PolarHBondContact O-N 2.63Å; T107-W110 VanDerWaalsContact O-N 3.09Å; T107-K111 PolarHBondContact O-N 2.64Å
108	L	98.5	Very high	97.2	Very high	9 Å²	9	27.2 Å²	27.2	5%	0.047	15%	0.153	C	C	.	.	H	α-helix	trans	-57.8	-39.2	-171.2	179.1	57.9	0	0	0	112.5	E82 V85 D106 W110 K111 L112 F122	E82-L108 HydrophobicContact CB-CD1 4.13Å; E82-L108 HydrophobicContact CG-CD1 3.71Å; V85-L108 HydrophobicContact CB-CD2 3.94Å; V85-L108 HydrophobicContact CG1-CD2 3.88Å; V85-L108 HydrophobicContact CG2-CD2 3.78Å; D106-L108 WeakPolarHBondContact OD1-CB 3.24Å; D106-L108 PolarHBondContact OD1-N 3.16Å; L108-W110 VanDerWaalsContact C-N 3.34Å; L108-W110 PolarHBondContact O-N 2.91Å; L108-K111 PolarHBondContact O-N 3.1Å; L108-L112 HydrophobicContact CD1-CD1 4.25Å; L108-L112 HydrophobicContact CD1-CD2 4.35Å; L108-L112 HydrophobicContact CD1-CG 3.98Å; L108-L112 HydrophobicContact CG-CD1 3.94Å; L108-L112 HydrophobicContact CG-CG 4.18Å; L108-L112 VanDerWaalsContact O-CG 3.27Å; L108-L112 WeakPolarHBondContact O-CG 3.44Å; L108-L112 PolarHBondContact O-N 2.88Å; L108-F122 HydrophobicContact CB-CZ 4.48Å; L108-F122 HydrophobicContact CD2-CZ 4.45Å; L108-F122 HydrophobicContact CG-CE2 4.44Å
109	Y	98.2	Very high	97.1	Very high	7 Å²	7	28 Å²	28	3%	0.027	16%	0.157	C	C	.	.	H	α-helix	trans	-53.4	-49.1	175.7	170.6	-103.3	0	0	0	112.2	T107 K111 L112 R113 F122 M168 N170 Y171	T107-Y109 VanDerWaalsContact C-N 3.28Å; T107-Y109 PolarHBondContact O-N 3.35Å; Y109-K111 VanDerWaalsContact C-N 3.35Å; Y109-K111 PolarHBondContact O-N 3.22Å; Y109-L112 PolarHBondContact O-N 3.01Å; Y109-R113 WeakPolarHBondContact O-CB 3.2Å; Y109-R113 PolarHBondContact O-N 3.21Å; Y109-F122 HydrophobicContact CD2-CB 3.57Å; Y109-F122 HydrophobicContact CD2-CD2 4.27Å; Y109-F122 AromaticContact CD2-CG 3.94Å; Y109-F122 HydrophobicContact CD2-CG 3.94Å; Y109-F122 HydrophobicContact CE2-CB 4.22Å; Y109-F122 HydrophobicContact CG-CB 4.39Å; Y109-F122 HydrophobicContact CG-CG 4.43Å; Y109-M168 HydrophobicContact CE1-CE 4.2Å; Y109-N170 WeakPolarHBondContact CE2-OD1 3.38Å; Y109-N170 PolarHBondContact OH-OD1 2.89Å; Y109-Y171 AromaticContact CD1-CD2 3.64Å; Y109-Y171 HydrophobicContact CD1-CD2 3.64Å; Y109-Y171 HydrophobicContact CD1-CE2 4.35Å; Y109-Y171 AromaticContact CD1-CG 3.87Å; Y109-Y171 HydrophobicContact CD1-CG 3.87Å; Y109-Y171 AromaticContact CD2-CD2 3.97Å; Y109-Y171 HydrophobicContact CD2-CD2 3.97Å; Y109-Y171 HydrophobicContact CD2-CG 4.47Å; Y109-Y171 HydrophobicContact CE1-CD2 4.2Å; Y109-Y171 AromaticContact CE1-CG 3.99Å; Y109-Y171 HydrophobicContact CE1-CG 3.99Å; Y109-Y171 HydrophobicContact CE2-CD2 4.47Å; Y109-Y171 AromaticContact CG-CD2 3.51Å; Y109-Y171 HydrophobicContact CG-CD2 3.51Å; Y109-Y171 HydrophobicContact CG-CE2 4.24Å; Y109-Y171 HydrophobicContact CG-CG 4.13Å; Y109-Y171 VanDerWaalsContact CZ-CB 3.45Å
110	W	97.2	Very high	97	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-69.5	-33	-178.9	-64.4	-80.5	0	0	0	112.7	F53 D106 T107 L108 R113 Q114 L138 F145 M168 Y171	F53-W110 HydrophobicContact CD1-CB 3.97Å; F53-W110 HydrophobicContact CD1-CG 4.47Å; F53-W110 HydrophobicContact CD2-CB 3.7Å; F53-W110 HydrophobicContact CE1-CB 3.85Å; F53-W110 HydrophobicContact CE2-CB 3.56Å; F53-W110 HydrophobicContact CG-CB 3.9Å; F53-W110 HydrophobicContact CZ-CB 3.65Å; D106-W110 WeakPolarHBondContact O-CZ3 3.39Å; T107-W110 PolarHBondContact O-N 2.63Å; T107-W110 VanDerWaalsContact O-N 3.09Å; L108-W110 VanDerWaalsContact C-N 3.34Å; L108-W110 PolarHBondContact O-N 2.91Å; W110-R113 PolarHBondContact O-N 3.23Å; W110-Q114 VanDerWaalsContact O-CB 3.29Å; W110-Q114 WeakPolarHBondContact O-CB 3.36Å; W110-Q114 PolarHBondContact O-N 2.85Å; W110-L138 HydrophobicContact CH2-CD1 4.04Å; W110-L138 HydrophobicContact CH2-CD2 3.76Å; W110-L138 HydrophobicContact CH2-CG 4.46Å; W110-L138 HydrophobicContact CZ2-CD1 3.65Å; W110-L138 HydrophobicContact CZ2-CD2 3.3Å; W110-L138 HydrophobicContact CZ2-CG 4.11Å; W110-F145 AromaticContact CD1-CD1 3.63Å; W110-F145 AromaticContact CD2-CD1 3.64Å; W110-F145 HydrophobicContact CD2-CD1 3.64Å; W110-F145 AromaticContact CD2-CE1 3.99Å; W110-F145 HydrophobicContact CD2-CE1 3.99Å; W110-F145 AromaticContact CE2-CD1 3.48Å; W110-F145 VanDerWaalsContact CE2-CD1 3.48Å; W110-F145 HydrophobicContact CE3-CD1 4.34Å; W110-F145 HydrophobicContact CE3-CE1 4.27Å; W110-F145 AromaticContact CG-CD1 3.76Å; W110-F145 HydrophobicContact CG-CD1 3.76Å; W110-F145 HydrophobicContact CG-CE1 4.3Å; W110-F145 HydrophobicContact CZ2-CD1 4.11Å; W110-F145 AromaticContact NE1-CD1 3.44Å; W110-F145 PolarHBondContact NE1-O 2.84Å; W110-M168 HydrophobicContact CZ2-CE 3.92Å; W110-Y171 HydrophobicContact CH2-CE1 4.3Å; W110-Y171 HydrophobicContact CH2-CE2 4.3Å; W110-Y171 AromaticContact CH2-CZ 3.87Å; W110-Y171 HydrophobicContact CZ2-CE1 4.24Å
111	K	97.3	Very high	96.9	Very high	14 Å²	14	31 Å²	31	6%	0.061	17%	0.169	C	C	.	.	H	α-helix	trans	-64.1	-43.6	171.6	-68.3	168.7	56.5	-170.8	0	111.6	F53 E82 T107 L108 Y109 Q114 D115	F53-K111 HydrophobicContact CD2-CG 4.01Å; F53-K111 HydrophobicContact CE2-CG 4.02Å; E82-K111 IonicContact OE1-NZ 2.69Å; E82-K111 IonicContact OE2-NZ 2.82Å; E82-K111 PolarHBondContact OE2-NZ 2.84Å; T107-K111 PolarHBondContact O-N 2.64Å; L108-K111 PolarHBondContact O-N 3.1Å; Y109-K111 VanDerWaalsContact C-N 3.35Å; Y109-K111 PolarHBondContact O-N 3.22Å; K111-Q114 PolarHBondContact O-N 3.13Å; K111-D115 VanDerWaalsContact O-CG 3.3Å; K111-D115 PolarHBondContact O-N 3.01Å; K111-D115 VanDerWaalsContact O-N 3.1Å
112	L	97.4	Very high	96.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.5	-43.1	175.6	-67.8	171.1	0	0	0	111.5	V85 R86 L89 L108 Y109 D115 N116 V117 F122	V85-L112 HydrophobicContact CG1-CD1 3.97Å; R86-L112 HydrophobicContact CG-CD2 3.83Å; L89-L112 HydrophobicContact CD1-CD1 3.74Å; L89-L112 HydrophobicContact CD1-CD2 4.14Å; L108-L112 HydrophobicContact CD1-CD1 4.25Å; L108-L112 HydrophobicContact CD1-CD2 4.35Å; L108-L112 HydrophobicContact CD1-CG 3.98Å; L108-L112 HydrophobicContact CG-CD1 3.94Å; L108-L112 HydrophobicContact CG-CG 4.18Å; L108-L112 VanDerWaalsContact O-CG 3.27Å; L108-L112 WeakPolarHBondContact O-CG 3.44Å; L108-L112 PolarHBondContact O-N 2.88Å; Y109-L112 PolarHBondContact O-N 3.01Å; L112-D115 CarbonylContact O-C 3.54Å; L112-D115 PolarHBondContact O-N 2.76Å; L112-N116 PolarHBondContact O-N 2.94Å; L112-V117 HydrophobicContact CB-CB 4.2Å; L112-V117 HydrophobicContact CB-CG2 4.49Å; L112-V117 HydrophobicContact CD2-CB 4.07Å; L112-V117 HydrophobicContact CD2-CG1 4.15Å; L112-V117 HydrophobicContact CD2-CG2 3.9Å; L112-V117 PolarHBondContact O-N 3.21Å; L112-F122 HydrophobicContact CD1-CD2 4.14Å; L112-F122 HydrophobicContact CD1-CE2 3.85Å
113	R	94.7	Very high	96.9	Very high	49 Å²	49	30 Å²	30	19%	0.185	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-45.7	175.5	-177.4	-179.5	172.3	179.6	-0.6	111.7	Y109 W110 D115 N116 F145 N150	Y109-R113 WeakPolarHBondContact O-CB 3.2Å; Y109-R113 PolarHBondContact O-N 3.21Å; W110-R113 PolarHBondContact O-N 3.23Å; R113-D115 PolarHBondContact O-N 2.82Å; R113-N116 PolarHBondContact O-N 2.84Å; R113-F145 PolarHBondContact NH1-O 3.05Å; R113-F145 VanDerWaalsContact NH1-O 3.09Å; R113-N150 PolarHBondContact NH2-ND2 2.97Å; R113-N150 PolarHBondContact NH2-OD1 2.82Å
114	Q	93.9	Very high	96.9	Very high	109 Å²	109	29.6 Å²	29.6	51%	0.509	15%	0.154	S	C	.	.	H	α-helix	trans	-58.6	-36.9	177.2	-172	-172	-79.6	0	0	111.7	F53 W110 K111 N116	F53-Q114 HydrophobicContact CZ-CB 4.45Å; W110-Q114 VanDerWaalsContact O-CB 3.29Å; W110-Q114 WeakPolarHBondContact O-CB 3.36Å; W110-Q114 PolarHBondContact O-N 2.85Å; K111-Q114 PolarHBondContact O-N 3.13Å; Q114-N116 VanDerWaalsContact C-N 3.27Å; Q114-N116 PolarHBondContact O-N 2.86Å
115	D	95.6	Very high	97	Very high	77 Å²	77	29.4 Å²	29.4	41%	0.412	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	5.6	178.3	-63.9	-16.4	0	0	0	113.4	R86 K111 L112 R113 V117	R86-D115 IonicContact CZ-OD2 2.64Å; R86-D115 VanDerWaalsContact CZ-OD2 3.22Å; R86-D115 IonicContact NH1-OD2 3.85Å; R86-D115 PolarHBondContact NH1-OD2 2.85Å; R86-D115 IonicContact NH2-OD2 3.14Å; R86-D115 PolarHBondContact NH2-OD2 3.47Å; K111-D115 VanDerWaalsContact O-CG 3.3Å; K111-D115 PolarHBondContact O-N 3.01Å; K111-D115 VanDerWaalsContact O-N 3.1Å; L112-D115 CarbonylContact O-C 3.54Å; L112-D115 PolarHBondContact O-N 2.76Å; R113-D115 PolarHBondContact O-N 2.82Å; D115-V117 HydrophobicContact CB-CG2 4.05Å; D115-V117 PolarHBondContact O-N 3.39Å
116	N	95.3	Very high	97	Very high	136 Å²	136	29.9 Å²	29.9	73%	0.727	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	34.7	-177	-55.3	-78.9	0	0	0	114	L112 R113 Q114 A118	L112-N116 PolarHBondContact O-N 2.94Å; R113-N116 PolarHBondContact O-N 2.84Å; Q114-N116 VanDerWaalsContact C-N 3.27Å; Q114-N116 PolarHBondContact O-N 2.86Å; N116-A118 PolarHBondContact O-N 3.26Å
117	V	96.4	Very high	97	Very high	36 Å²	36	30.9 Å²	30.9	22%	0.218	16%	0.159	C	C	.	.			trans	-70.3	124.8	176	-178.8	0	0	0	0	109.3	L89 L112 D115 L119	L89-V117 HydrophobicContact CB-CG1 3.75Å; L89-V117 HydrophobicContact CD1-CG1 3.76Å; L89-V117 HydrophobicContact CG-CG1 4.39Å; L112-V117 HydrophobicContact CB-CB 4.2Å; L112-V117 HydrophobicContact CB-CG2 4.49Å; L112-V117 HydrophobicContact CD2-CB 4.07Å; L112-V117 HydrophobicContact CD2-CG1 4.15Å; L112-V117 HydrophobicContact CD2-CG2 3.9Å; L112-V117 PolarHBondContact O-N 3.21Å; D115-V117 HydrophobicContact CB-CG2 4.05Å; D115-V117 PolarHBondContact O-N 3.39Å; V117-L119 WeakPolarHBondContact O-CD2 3.42Å
118	A	96.2	Very high	96.8	Very high	46 Å²	46	33.8 Å²	33.8	38%	0.38	18%	0.175	S	C	.	.			trans	-72.8	131.3	177.1	0	0	0	0	0	111.4	G93 N116	G93-A118 CarbonylContact C-O 3.53Å; G93-A118 WeakPolarHBondContact CA-O 3.47Å; N116-A118 PolarHBondContact O-N 3.26Å
119	L	96.8	Very high	96.7	Very high	18 Å²	18	36.9 Å²	36.9	9%	0.094	19%	0.191	C	C	.	.			trans	-152.6	152.5	175	69.7	164.8	0	0	0	110.5	L89 G93 V117 F122 N170	L89-L119 HydrophobicContact CD1-CB 4.17Å; L89-L119 HydrophobicContact CD2-CB 3.5Å; L89-L119 HydrophobicContact CG-CB 4.45Å; G93-L119 WeakPolarHBondContact O-CA 3.38Å; V117-L119 WeakPolarHBondContact O-CD2 3.42Å; L119-F122 HydrophobicContact CD1-CB 3.78Å; L119-F122 HydrophobicContact CD1-CD2 3.87Å; L119-F122 HydrophobicContact CD1-CG 4.34Å; L119-N170 PolarHBondContact O-ND2 2.69Å
120	K	96.3	Very high	96.6	Very high	71 Å²	71	36.6 Å²	36.6	31%	0.309	19%	0.19	S	C	.	.	S	Bend	trans	-69.4	-59.6	175.6	-175.8	166.2	176.7	168.8	0	110.5	S94 G96 Q97 N170 D195	S94-K120 WeakPolarHBondContact O-CA 3.35Å; S94-K120 VanDerWaalsContact O-CB 3.3Å; S94-K120 WeakPolarHBondContact O-CB 3.34Å; G96-K120 WeakPolarHBondContact O-CB 3.18Å; G96-K120 PolarHBondContact O-N 3.47Å; Q97-K120 HydrophobicContact CG-CB 4.05Å; Q97-K120 HydrophobicContact CG-CD 4.01Å; Q97-K120 HydrophobicContact CG-CG 4.28Å; K120-N170 WeakPolarHBondContact O-CB 3.45Å; K120-D195 VanDerWaalsContact NZ-CB 3.32Å; K120-D195 IonicContact NZ-OD2 3.12Å; K120-D195 PolarHBondContact NZ-OD2 3.43Å
121	C	96.4	Very high	96.6	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.034	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	158	176.5	60.6	0	0	0	0	111.5	V98 N170 Y172 V193	V98-C121 PolarHBondContact N-O 3.08Å; C121-N170 CarbonylContact C-O 3.36Å; C121-N170 VanDerWaalsContact CA-O 3.24Å; C121-N170 WeakPolarHBondContact CA-O 3.39Å; C121-Y172 HydrophobicContact CB-CD2 4.22Å; C121-Y172 HydrophobicContact CB-CE2 3.94Å; C121-V193 PolarHBondContact SG-O 3.44Å
122	F	98.2	Very high	96.5	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.013	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114.7	171.9	-157.3	-72.5	0	0	0	107.7	V98 L108 Y109 L112 L119 E124 N170 Y171 Y172	V98-F122 HydrophobicContact CB-CD2 3.7Å; V98-F122 HydrophobicContact CB-CE2 3.8Å; V98-F122 HydrophobicContact CB-CG 4.23Å; V98-F122 HydrophobicContact CB-CZ 4.41Å; V98-F122 HydrophobicContact CG1-CD2 3.97Å; V98-F122 HydrophobicContact CG1-CE1 4.37Å; V98-F122 HydrophobicContact CG1-CE2 3.53Å; V98-F122 HydrophobicContact CG1-CZ 3.76Å; V98-F122 HydrophobicContact CG2-CD2 4.21Å; V98-F122 HydrophobicContact CG2-CE2 4.28Å; V98-F122 CarbonylContact O-C 3.56Å; V98-F122 WeakPolarHBondContact O-CA 3.35Å; L108-F122 HydrophobicContact CB-CZ 4.48Å; L108-F122 HydrophobicContact CD2-CZ 4.45Å; L108-F122 HydrophobicContact CG-CE2 4.44Å; Y109-F122 HydrophobicContact CD2-CB 3.57Å; Y109-F122 HydrophobicContact CD2-CD2 4.27Å; Y109-F122 AromaticContact CD2-CG 3.94Å; Y109-F122 HydrophobicContact CD2-CG 3.94Å; Y109-F122 HydrophobicContact CE2-CB 4.22Å; Y109-F122 HydrophobicContact CG-CB 4.39Å; Y109-F122 HydrophobicContact CG-CG 4.43Å; L112-F122 HydrophobicContact CD1-CD2 4.14Å; L112-F122 HydrophobicContact CD1-CE2 3.85Å; L119-F122 HydrophobicContact CD1-CB 3.78Å; L119-F122 HydrophobicContact CD1-CD2 3.87Å; L119-F122 HydrophobicContact CD1-CG 4.34Å; F122-E124 HydrophobicContact CD1-CG 3.93Å; F122-E124 HydrophobicContact CE1-CG 3.72Å; F122-N170 PolarHBondContact N-O 2.95Å; F122-Y171 HydrophobicContact CB-CD2 4.41Å; F122-Y171 HydrophobicContact CD1-CD2 4.3Å; F122-Y171 HydrophobicContact CD1-CE2 4.41Å; F122-Y171 CarbonylContact O-C 3.53Å; F122-Y171 WeakPolarHBondContact O-CA 3.37Å; F122-Y172 PolarHBondContact O-N 3.1Å
123	V	98.3	Very high	96.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129	-176.9	-175.2	0	0	0	0	108.5	V98 L99 S100 Y172 F188 V193 L194	V98-V123 PolarHBondContact O-N 3.04Å; L99-V123 CarbonylContact C-O 3.56Å; L99-V123 VanDerWaalsContact CA-O 3.29Å; L99-V123 WeakPolarHBondContact CA-O 3.33Å; L99-V123 HydrophobicContact CD1-CB 3.95Å; L99-V123 HydrophobicContact CD1-CG1 3.84Å; S100-V123 PolarHBondContact N-O 3.19Å; V123-Y172 CarbonylContact C-O 3.38Å; V123-Y172 WeakPolarHBondContact CA-O 3.1Å; V123-Y172 HydrophobicContact CG2-CD2 4.05Å; V123-Y172 HydrophobicContact CG2-CG 4.45Å; V123-F188 HydrophobicContact CG1-CE1 4.01Å; V123-V193 HydrophobicContact CG2-CB 4.43Å; V123-V193 HydrophobicContact CG2-CG2 4.45Å; V123-L194 HydrophobicContact CB-CD2 4.3Å; V123-L194 HydrophobicContact CG2-CD2 3.6Å; V123-L194 HydrophobicContact CG2-CG 3.97Å
124	E	98.6	Very high	96.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	146	174.9	-68.4	-174.9	164.6	0	0	110.4	S100 A103 F122 K134 Y171 Y172 M173 V174	S100-E124 CarbonylContact O-C 3.59Å; S100-E124 VanDerWaalsContact O-CA 3.3Å; S100-E124 WeakPolarHBondContact O-CA 3.37Å; A103-E124 HydrophobicContact CB-CB 3.7Å; A103-E124 HydrophobicContact CB-CG 3.64Å; F122-E124 HydrophobicContact CD1-CG 3.93Å; F122-E124 HydrophobicContact CE1-CG 3.72Å; E124-K134 IonicContact OE1-NZ 3.3Å; E124-K134 IonicContact OE2-NZ 2.94Å; E124-K134 PolarHBondContact OE2-NZ 3.16Å; E124-Y171 HydrophobicContact CG-CE2 3.99Å; E124-Y171 WeakPolarHBondContact OE2-CE2 3.28Å; E124-Y171 PolarHBondContact OE2-OH 3.3Å; E124-Y172 PolarHBondContact N-O 2.77Å; E124-M173 HydrophobicContact CB-CB 4.16Å; E124-M173 HydrophobicContact CB-CG 3.79Å; E124-M173 CarbonylContact O-C 2.99Å; E124-M173 VanDerWaalsContact O-CA 3.24Å; E124-M173 WeakPolarHBondContact O-CA 3.4Å; E124-V174 PolarHBondContact O-N 3.26Å
125	V	98.6	Very high	96.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	132.3	176.7	-174.6	0	0	0	0	108.2	L99 S100 L101 G102 A103 V174 L178 L184 F188	L99-V125 HydrophobicContact CD1-CG2 3.93Å; S100-V125 PolarHBondContact O-N 3.09Å; L101-V125 HydrophobicContact CD2-CB 3.72Å; L101-V125 HydrophobicContact CD2-CG1 4.45Å; L101-V125 HydrophobicContact CD2-CG2 3.58Å; G102-V125 WeakPolarHBondContact CA-O 3.1Å; G102-V125 PolarHBondContact N-O 2.94Å; A103-V125 PolarHBondContact N-O 2.93Å; V125-V174 WeakPolarHBondContact CA-O 3.45Å; V125-V174 HydrophobicContact CB-CG1 4.46Å; V125-V174 HydrophobicContact CG1-CG1 4.31Å; V125-V174 HydrophobicContact CG2-CG1 3.88Å; V125-L178 HydrophobicContact CB-CD2 4.27Å; V125-L178 HydrophobicContact CG1-CD2 3.69Å; V125-L184 HydrophobicContact CG1-CD1 3.92Å; V125-L184 HydrophobicContact CG2-CD1 3.95Å; V125-F188 HydrophobicContact CG2-CE1 4.32Å; V125-F188 HydrophobicContact CG2-CZ 4.07Å
126	D	98	Very high	96.5	Very high	19 Å²	19	35.2 Å²	35.2	10%	0.102	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	-175.9	172.7	-146.6	-61.5	0	0	0	109.4	G102 A103 G104 I130 M173 V174 G175 S176	G102-D126 WeakPolarHBondContact CA-OD2 3.24Å; A103-D126 PolarHBondContact N-OD2 3.07Å; G104-D126 WeakPolarHBondContact CA-OD2 3.21Å; G104-D126 PolarHBondContact N-OD2 3.14Å; D126-I130 HydrophobicContact CB-CB 4.03Å; D126-I130 HydrophobicContact CB-CG2 3.91Å; D126-I130 WeakPolarHBondContact OD1-CG1 3.19Å; D126-M173 HydrophobicContact CB-CE 3.87Å; D126-V174 PolarHBondContact N-O 2.8Å; D126-G175 CarbonylContact O-C 3.44Å; D126-G175 WeakPolarHBondContact O-CA 3.19Å; D126-S176 PolarHBondContact O-N 2.68Å
127	F	96.5	Very high	96.5	Very high	43 Å²	43	29.9 Å²	29.9	19%	0.189	16%	0.164	C	C	.	.			trans	-65.2	148.6	173.2	-68.3	-67	0	0	0	112.2	E26 I29 Q30 N129 I130 V131 D177	E26-F127 HydrophobicContact CB-CZ 4.49Å; E26-F127 HydrophobicContact CG-CE1 4.15Å; E26-F127 HydrophobicContact CG-CZ 4.12Å; I29-F127 HydrophobicContact CG2-CE2 4.21Å; Q30-F127 HydrophobicContact CG-CB 4.24Å; Q30-F127 HydrophobicContact CG-CD2 3.77Å; Q30-F127 HydrophobicContact CG-CG 4.31Å; F127-N129 PolarHBondContact O-N 3.02Å; F127-I130 WeakPolarHBondContact O-CB 3.19Å; F127-I130 PolarHBondContact O-N 3.2Å; F127-V131 PolarHBondContact O-N 2.93Å; F127-V131 VanDerWaalsContact O-N 3.14Å; F127-D177 HydrophobicContact CE1-CB 4.4Å
128	D	95.5	Very high	96.4	Very high	64 Å²	64	28.2 Å²	28.2	34%	0.342	15%	0.154	S	C	.	.	H	α-helix	trans	-44.6	-44.8	178.3	-78.1	-16.9	0	0	0	113.7	I130 V131 L132 N164 G175	D128-I130 VanDerWaalsContact C-N 3.35Å; D128-I130 PolarHBondContact O-N 3.12Å; D128-V131 PolarHBondContact O-N 3.4Å; D128-L132 WeakPolarHBondContact O-CB 3.31Å; D128-L132 VanDerWaalsContact O-CG 3.25Å; D128-L132 WeakPolarHBondContact O-CG 3.21Å; D128-L132 PolarHBondContact O-N 3.14Å; D128-N164 VanDerWaalsContact CG-CG 3.49Å; D128-N164 WeakPolarHBondContact OD1-CB 3Å; D128-N164 VanDerWaalsContact OD1-CG 3.25Å; D128-N164 PolarHBondContact OD1-ND2 3.44Å; D128-N164 PolarHBondContact OD2-ND2 2.87Å; D128-G175 WeakPolarHBondContact OD1-CA 3.38Å
129	N	95.1	Very high	96.2	Very high	74 Å²	74	31 Å²	31	40%	0.396	16%	0.159	S	C	.	.	H	α-helix	trans	-64.6	-35.6	-179.7	-80.7	-12.9	0	0	0	113.3	Q30 F127 K133	Q30-N129 PolarHBondContact OE1-ND2 3.3Å; F127-N129 PolarHBondContact O-N 3.02Å; N129-K133 WeakPolarHBondContact O-CG 3.44Å; N129-K133 PolarHBondContact O-N 2.95Å
130	I	96.4	Very high	96.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-69.2	-43.4	175.6	-62.4	-57.3	0	0	0	109.4	Q30 N33 Y105 D126 F127 D128 L132 K133 K134 M173	Q30-I130 HydrophobicContact CB-CD1 3.96Å; Q30-I130 HydrophobicContact CB-CG1 4.44Å; Q30-I130 HydrophobicContact CG-CD1 4.07Å; Q30-I130 HydrophobicContact CG-CG1 3.99Å; N33-I130 HydrophobicContact CB-CD1 4.14Å; Y105-I130 HydrophobicContact CD1-CG2 4.24Å; Y105-I130 HydrophobicContact CE1-CG2 3.98Å; D126-I130 HydrophobicContact CB-CB 4.03Å; D126-I130 HydrophobicContact CB-CG2 3.91Å; D126-I130 WeakPolarHBondContact OD1-CG1 3.19Å; F127-I130 WeakPolarHBondContact O-CB 3.19Å; F127-I130 PolarHBondContact O-N 3.2Å; D128-I130 VanDerWaalsContact C-N 3.35Å; D128-I130 PolarHBondContact O-N 3.12Å; I130-L132 PolarHBondContact O-N 2.79Å; I130-K133 PolarHBondContact O-N 2.87Å; I130-K134 VanDerWaalsContact O-CB 3.31Å; I130-K134 WeakPolarHBondContact O-CB 3.46Å; I130-K134 PolarHBondContact O-N 3.09Å; I130-M173 HydrophobicContact CG2-CE 4.1Å
131	V	96.6	Very high	96	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.5	-46.8	175.7	-175.6	0	0	0	0	110.9	F127 D128 K133 K134 K135 I166 M173	F127-V131 PolarHBondContact O-N 2.93Å; F127-V131 VanDerWaalsContact O-N 3.14Å; D128-V131 PolarHBondContact O-N 3.4Å; V131-K133 PolarHBondContact O-N 3.25Å; V131-K134 PolarHBondContact O-N 2.96Å; V131-K135 WeakPolarHBondContact O-CB 3.26Å; V131-K135 PolarHBondContact O-N 2.76Å; V131-I166 HydrophobicContact CG1-CD1 4.1Å; V131-I166 HydrophobicContact CG1-CG1 3.92Å; V131-M173 HydrophobicContact CB-SD 4.26Å; V131-M173 HydrophobicContact CG1-CG 4.23Å; V131-M173 HydrophobicContact CG1-SD 4.16Å; V131-M173 HydrophobicContact CG2-CE 3.91Å; V131-M173 HydrophobicContact CG2-CG 3.9Å; V131-M173 HydrophobicContact CG2-SD 3.9Å
132	L	95.6	Very high	95.7	Very high	64 Å²	64	38 Å²	38	34%	0.335	20%	0.2	S	C	.	.	H	α-helix	trans	-57.1	-48.9	177.4	-80	168.4	0	0	0	112.3	D128 I130 K135 A136 K163	D128-L132 WeakPolarHBondContact O-CB 3.31Å; D128-L132 VanDerWaalsContact O-CG 3.25Å; D128-L132 WeakPolarHBondContact O-CG 3.21Å; D128-L132 PolarHBondContact O-N 3.14Å; I130-L132 PolarHBondContact O-N 2.79Å; L132-K135 PolarHBondContact O-N 3.24Å; L132-A136 PolarHBondContact O-N 3.46Å; L132-K163 HydrophobicContact CD2-CB 3.88Å; L132-K163 HydrophobicContact CD2-CG 4.28Å; L132-K163 VanDerWaalsContact CD2-O 3.27Å; L132-K163 WeakPolarHBondContact CD2-O 3.33Å
133	K	95	Very high	95.3	Very high	96 Å²	96	42 Å²	42	42%	0.417	23%	0.233	S	C	.	.	H	α-helix	trans	-65.6	-45.5	178.5	-73	178	-179.1	179.8	0	111.5	D34 Y105 N129 I130 V131 K135 A136 V137	D34-K133 IonicContact OD2-NZ 2.96Å; Y105-K133 HydrophobicContact CE1-CB 4.02Å; Y105-K133 WeakPolarHBondContact OH-CD 3.24Å; N129-K133 WeakPolarHBondContact O-CG 3.44Å; N129-K133 PolarHBondContact O-N 2.95Å; I130-K133 PolarHBondContact O-N 2.87Å; V131-K133 PolarHBondContact O-N 3.25Å; K133-K135 VanDerWaalsContact C-N 3.32Å; K133-K135 PolarHBondContact O-N 2.77Å; K133-A136 PolarHBondContact O-N 3.19Å; K133-V137 PolarHBondContact O-N 2.79Å
134	K	96.2	Very high	95.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-60	-46	177.5	-162.2	175.2	-164.9	163	0	110.3	F57 G104 Y105 D106 E124 I130 V131 A136 V137 L138 I166 M173	F57-K134 HydrophobicContact CD1-CG 4.28Å; F57-K134 HydrophobicContact CE1-CB 4.32Å; F57-K134 HydrophobicContact CE1-CG 3.5Å; F57-K134 HydrophobicContact CZ-CG 4.09Å; G104-K134 PolarHBondContact O-NZ 3.43Å; Y105-K134 HydrophobicContact CD1-CB 4.06Å; Y105-K134 HydrophobicContact CD1-CG 4.28Å; Y105-K134 HydrophobicContact CE1-CB 4.33Å; D106-K134 PolarHBondContact O-NZ 2.86Å; E124-K134 IonicContact OE1-NZ 3.3Å; E124-K134 IonicContact OE2-NZ 2.94Å; E124-K134 PolarHBondContact OE2-NZ 3.16Å; I130-K134 VanDerWaalsContact O-CB 3.31Å; I130-K134 WeakPolarHBondContact O-CB 3.46Å; I130-K134 PolarHBondContact O-N 3.09Å; V131-K134 PolarHBondContact O-N 2.96Å; K134-A136 PolarHBondContact O-N 3.29Å; K134-V137 PolarHBondContact O-N 2.79Å; K134-L138 WeakPolarHBondContact O-CG 3.24Å; K134-L138 PolarHBondContact O-N 3.35Å; K134-I166 HydrophobicContact CB-CD1 4.4Å; K134-M173 HydrophobicContact CB-SD 4.28Å; K134-M173 HydrophobicContact CD-CE 3.87Å; K134-M173 HydrophobicContact CD-SD 3.49Å; K134-M173 WeakPolarHBondContact CD-SD 3.21Å; K134-M173 HydrophobicContact CG-SD 4.4Å
135	K	95.4	Very high	94.7	Very high	14 Å²	14	45.4 Å²	45.4	6%	0.061	25%	0.251	C	S	.	.	H	α-helix	trans	-56.2	-48.5	177.3	-172.3	175.8	-177.8	-175.2	0	112.2	V131 L132 K133 V137 L138 E139 M159 T160 S162 I166	V131-K135 WeakPolarHBondContact O-CB 3.26Å; V131-K135 PolarHBondContact O-N 2.76Å; L132-K135 PolarHBondContact O-N 3.24Å; K133-K135 VanDerWaalsContact C-N 3.32Å; K133-K135 PolarHBondContact O-N 2.77Å; K135-V137 VanDerWaalsContact C-N 3.3Å; K135-V137 PolarHBondContact O-N 2.86Å; K135-L138 PolarHBondContact O-N 3.2Å; K135-L138 VanDerWaalsContact O-N 3.11Å; K135-E139 WeakPolarHBondContact CE-OE1 3.26Å; K135-E139 HydrophobicContact CG-CG 4.39Å; K135-E139 IonicContact NZ-OE1 2.91Å; K135-E139 WeakPolarHBondContact O-CG 3.3Å; K135-E139 PolarHBondContact O-N 2.88Å; K135-M159 HydrophobicContact CD-SD 4.3Å; K135-M159 HydrophobicContact CG-SD 3.63Å; K135-T160 WeakPolarHBondContact CE-O 2.91Å; K135-T160 PolarHBondContact NZ-O 3.43Å; K135-S162 PolarHBondContact NZ-O 3.41Å; K135-I166 HydrophobicContact CB-CD1 3.78Å; K135-I166 HydrophobicContact CB-CG1 3.88Å; K135-I166 HydrophobicContact CD-CG1 4.27Å; K135-I166 HydrophobicContact CG-CD1 4.39Å; K135-I166 HydrophobicContact CG-CG1 4.05Å
136	A	94.7	Very high	94.2	Very high	50 Å²	50	46.3 Å²	46.3	41%	0.413	26%	0.255	S	S	.	.	H	α-helix	trans	-56.7	-43.7	178.9	0	0	0	0	0	112.1	L132 K133 K134 E139 E140	L132-A136 PolarHBondContact O-N 3.46Å; K133-A136 PolarHBondContact O-N 3.19Å; K134-A136 PolarHBondContact O-N 3.29Å; A136-E139 PolarHBondContact O-N 3.46Å; A136-E140 VanDerWaalsContact O-CB 3.31Å; A136-E140 WeakPolarHBondContact O-CB 3.47Å; A136-E140 PolarHBondContact O-N 3.26Å
137	V	95.5	Very high	93.2	Very high	24 Å²	24	47.5 Å²	47.5	15%	0.145	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-42	176.4	175	0	0	0	0	111.7	Y56 F57 K133 K134 K135 E139 H141 F145	Y56-V137 WeakPolarHBondContact O-CG1 3.42Å; F57-V137 HydrophobicContact CD1-CB 3.88Å; F57-V137 HydrophobicContact CD1-CG1 3.72Å; F57-V137 HydrophobicContact CD1-CG2 3.96Å; F57-V137 HydrophobicContact CE1-CB 3.65Å; F57-V137 HydrophobicContact CE1-CG1 3.52Å; F57-V137 HydrophobicContact CE1-CG2 4.24Å; F57-V137 HydrophobicContact CE2-CG1 4.5Å; F57-V137 HydrophobicContact CG-CG1 4.27Å; F57-V137 HydrophobicContact CZ-CB 4.48Å; F57-V137 HydrophobicContact CZ-CG1 3.96Å; K133-V137 PolarHBondContact O-N 2.79Å; K134-V137 PolarHBondContact O-N 2.79Å; K135-V137 VanDerWaalsContact C-N 3.3Å; K135-V137 PolarHBondContact O-N 2.86Å; V137-E139 VanDerWaalsContact C-N 3.34Å; V137-H141 WeakPolarHBondContact O-CB 3.46Å; V137-H141 PolarHBondContact O-CD2 2.8Å; V137-H141 PolarHBondContact O-N 3.27Å; V137-F145 HydrophobicContact CG1-CE2 4.1Å; V137-F145 HydrophobicContact CG1-CZ 4.47Å
138	L	94.4	Very high	91.8	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-66.4	-36	178.1	-62.9	-176.3	0	0	0	112.5	F57 W110 K134 K135 H141 A142 F145 M159 I166 Y171	F57-L138 HydrophobicContact CZ-CD2 3.92Å; W110-L138 HydrophobicContact CH2-CD1 4.04Å; W110-L138 HydrophobicContact CH2-CD2 3.76Å; W110-L138 HydrophobicContact CH2-CG 4.46Å; W110-L138 HydrophobicContact CZ2-CD1 3.65Å; W110-L138 HydrophobicContact CZ2-CD2 3.3Å; W110-L138 HydrophobicContact CZ2-CG 4.11Å; K134-L138 WeakPolarHBondContact O-CG 3.24Å; K134-L138 PolarHBondContact O-N 3.35Å; K135-L138 PolarHBondContact O-N 3.2Å; K135-L138 VanDerWaalsContact O-N 3.11Å; L138-H141 CarbonylContact O-C 3.44Å; L138-A142 WeakPolarHBondContact O-CA 3.46Å; L138-A142 PolarHBondContact O-N 3.01Å; L138-A142 VanDerWaalsContact O-N 3.07Å; L138-F145 HydrophobicContact CD2-CB 3.71Å; L138-F145 HydrophobicContact CD2-CD1 3.49Å; L138-F145 VanDerWaalsContact CD2-CD1 3.49Å; L138-F145 HydrophobicContact CD2-CD2 3.66Å; L138-F145 HydrophobicContact CD2-CE1 3.88Å; L138-F145 HydrophobicContact CD2-CE2 4.09Å; L138-F145 HydrophobicContact CD2-CG 3.34Å; L138-F145 HydrophobicContact CD2-CZ 4.18Å; L138-M159 HydrophobicContact CB-CE 3.52Å; L138-M159 HydrophobicContact CD1-CE 4.12Å; L138-M159 HydrophobicContact CG-CE 4.5Å; L138-I166 HydrophobicContact CD1-CD1 4.06Å; L138-I166 HydrophobicContact CD1-CG2 4.11Å; L138-Y171 HydrophobicContact CD1-CE1 4.39Å
139	E	92.5	Very high	90	Very high	105 Å²	105	51 Å²	51	49%	0.491	30%	0.299	S	S	.	.	H	α-helix	trans	-71.2	-45.9	175.8	-71.3	177.4	155.6	0	0	111.3	K135 A136 V137 H141 A142 M159	K135-E139 WeakPolarHBondContact CE-OE1 3.26Å; K135-E139 HydrophobicContact CG-CG 4.39Å; K135-E139 IonicContact NZ-OE1 2.91Å; K135-E139 WeakPolarHBondContact O-CG 3.3Å; K135-E139 PolarHBondContact O-N 2.88Å; A136-E139 PolarHBondContact O-N 3.46Å; V137-E139 VanDerWaalsContact C-N 3.34Å; E139-H141 VanDerWaalsContact C-N 3.3Å; E139-H141 PolarHBondContact O-N 3.32Å; E139-A142 PolarHBondContact O-N 3.1Å; E139-M159 HydrophobicContact CG-CE 4.2Å; E139-M159 HydrophobicContact CG-SD 3.78Å
140	E	93.9	Very high	87.9	Confident	146 Å²	146	50.1 Å²	50.1	68%	0.682	29%	0.294	S	S	*	.	H	α-helix	trans	-60.8	-39	177.3	-174.8	178	171.7	0	0	111.9	A136	A136-E140 VanDerWaalsContact O-CB 3.31Å; A136-E140 WeakPolarHBondContact O-CB 3.47Å; A136-E140 PolarHBondContact O-N 3.26Å
141	H	94.1	Very high	85.7	Confident	51 Å²	51	54.6 Å²	54.6	24%	0.236	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	36.8	-177.4	-55.8	-56.3	0	0	0	113	Y56 V137 L138 E139 A143 I144 F145	Y56-H141 HydrophobicContact CD1-CB 4.36Å; Y56-H141 AromaticContact CD1-CD2 3.42Å; Y56-H141 VanDerWaalsContact CD1-CD2 3.42Å; Y56-H141 WeakPolarHBondContact CD1-CD2 3.47Å; Y56-H141 AromaticContact CD1-CE1 3.99Å; Y56-H141 AromaticContact CD1-CG 3.69Å; Y56-H141 AromaticContact CD1-NE2 3.59Å; V137-H141 WeakPolarHBondContact O-CB 3.46Å; V137-H141 PolarHBondContact O-CD2 2.8Å; V137-H141 PolarHBondContact O-N 3.27Å; L138-H141 CarbonylContact O-C 3.44Å; E139-H141 VanDerWaalsContact C-N 3.3Å; E139-H141 PolarHBondContact O-N 3.32Å; H141-A143 PolarHBondContact O-N 2.69Å; H141-I144 WeakPolarHBondContact O-CB 3.29Å; H141-I144 PolarHBondContact O-N 3.37Å; H141-F145 HydrophobicContact CB-CD2 3.89Å; H141-F145 HydrophobicContact CB-CE2 3.94Å; H141-F145 WeakPolarHBondContact O-CD2 3.4Å; H141-F145 PolarHBondContact O-N 2.82Å
142	A	91.2	Very high	83.5	Confident	45 Å²	45	63 Å²	63	37%	0.372	37%	0.37	S	S	.	.	H	α-helix	trans	-53.8	-31.9	-176.7	0	0	0	0	0	113.9	L138 E139 I144 N146	L138-A142 WeakPolarHBondContact O-CA 3.46Å; L138-A142 PolarHBondContact O-N 3.01Å; L138-A142 VanDerWaalsContact O-N 3.07Å; E139-A142 PolarHBondContact O-N 3.1Å; A142-I144 PolarHBondContact O-N 2.98Å; A142-N146 CarbonylContact O-C 3.58Å; A142-N146 VanDerWaalsContact O-CA 3.29Å; A142-N146 WeakPolarHBondContact O-CA 3.48Å; A142-N146 PolarHBondContact O-N 3.42Å
143	A	90.5	Very high	81	Confident	85 Å²	85	63.4 Å²	63.4	70%	0.702	39%	0.389	S	S	*	.	H	α-helix	trans	-63.6	-27.7	177	0	0	0	0	0	113.8	H141	H141-A143 PolarHBondContact O-N 2.69Å
144	I	92.1	Very high	78.8	Confident	72 Å²	72	61.6 Å²	61.6	37%	0.369	39%	0.389	S	S	.	.	H	α-helix	trans	-87	-46.7	178.9	-59	-61.5	0	0	0	110.5	F53 Y56 H141 A142	F53-I144 HydrophobicContact CD1-CG2 4.06Å; F53-I144 HydrophobicContact CE1-CG2 4.15Å; Y56-I144 HydrophobicContact CE2-CG1 4.45Å; Y56-I144 HydrophobicContact CE2-CG2 3.88Å; H141-I144 WeakPolarHBondContact O-CB 3.29Å; H141-I144 PolarHBondContact O-N 3.37Å; A142-I144 PolarHBondContact O-N 2.98Å
145	F	92.2	Very high	76.7	Confident	1 Å²	1	65.3 Å²	65.3	0%	0.004	42%	0.419	C	S	.	.	H	α-helix	trans	-88	-21	-172	-69.2	-74.3	0	0	0	114.2	F53 Y56 F57 W110 R113 V137 L138 H141	F53-F145 HydrophobicContact CB-CE1 3.83Å; F53-F145 HydrophobicContact CB-CZ 4.27Å; F53-F145 HydrophobicContact CD1-CD1 4.08Å; F53-F145 AromaticContact CD1-CE1 3.79Å; F53-F145 HydrophobicContact CD1-CE1 3.79Å; F53-F145 HydrophobicContact CD1-CZ 4.48Å; F53-F145 HydrophobicContact CG-CE1 4.15Å; Y56-F145 HydrophobicContact CD2-CE2 4.11Å; Y56-F145 AromaticContact CD2-CZ 3.99Å; Y56-F145 HydrophobicContact CD2-CZ 3.99Å; Y56-F145 HydrophobicContact CG-CE2 4.13Å; Y56-F145 HydrophobicContact CG-CZ 4.27Å; F57-F145 HydrophobicContact CD2-CZ 4.44Å; F57-F145 AromaticContact CE2-CE1 3.73Å; F57-F145 HydrophobicContact CE2-CE1 3.73Å; F57-F145 AromaticContact CE2-CZ 3.49Å; F57-F145 HydrophobicContact CE2-CZ 3.49Å; F57-F145 VanDerWaalsContact CE2-CZ 3.49Å; F57-F145 AromaticContact CZ-CE1 3.92Å; F57-F145 HydrophobicContact CZ-CE1 3.92Å; F57-F145 HydrophobicContact CZ-CE2 4.45Å; F57-F145 AromaticContact CZ-CZ 3.7Å; F57-F145 HydrophobicContact CZ-CZ 3.7Å; W110-F145 AromaticContact CD1-CD1 3.63Å; W110-F145 AromaticContact CD2-CD1 3.64Å; W110-F145 HydrophobicContact CD2-CD1 3.64Å; W110-F145 AromaticContact CD2-CE1 3.99Å; W110-F145 HydrophobicContact CD2-CE1 3.99Å; W110-F145 AromaticContact CE2-CD1 3.48Å; W110-F145 VanDerWaalsContact CE2-CD1 3.48Å; W110-F145 HydrophobicContact CE3-CD1 4.34Å; W110-F145 HydrophobicContact CE3-CE1 4.27Å; W110-F145 AromaticContact CG-CD1 3.76Å; W110-F145 HydrophobicContact CG-CD1 3.76Å; W110-F145 HydrophobicContact CG-CE1 4.3Å; W110-F145 HydrophobicContact CZ2-CD1 4.11Å; W110-F145 AromaticContact NE1-CD1 3.44Å; W110-F145 PolarHBondContact NE1-O 2.84Å; R113-F145 PolarHBondContact NH1-O 3.05Å; R113-F145 VanDerWaalsContact NH1-O 3.09Å; V137-F145 HydrophobicContact CG1-CE2 4.1Å; V137-F145 HydrophobicContact CG1-CZ 4.47Å; L138-F145 HydrophobicContact CD2-CB 3.71Å; L138-F145 HydrophobicContact CD2-CD1 3.49Å; L138-F145 VanDerWaalsContact CD2-CD1 3.49Å; L138-F145 HydrophobicContact CD2-CD2 3.66Å; L138-F145 HydrophobicContact CD2-CE1 3.88Å; L138-F145 HydrophobicContact CD2-CE2 4.09Å; L138-F145 HydrophobicContact CD2-CG 3.34Å; L138-F145 HydrophobicContact CD2-CZ 4.18Å; H141-F145 HydrophobicContact CB-CD2 3.89Å; H141-F145 HydrophobicContact CB-CE2 3.94Å; H141-F145 WeakPolarHBondContact O-CD2 3.4Å; H141-F145 PolarHBondContact O-N 2.82Å
146	N	86	Confident	75	Confident	19 Å²	19	67.9 Å²	67.9	10%	0.102	44%	0.437	C	S	.	.	S	Bend	trans	-142.7	60.6	-178.7	-161.1	20.8	0	0	0	112.6	A142 S148 V157 M168	A142-N146 CarbonylContact O-C 3.58Å; A142-N146 VanDerWaalsContact O-CA 3.29Å; A142-N146 WeakPolarHBondContact O-CA 3.48Å; A142-N146 PolarHBondContact O-N 3.42Å; N146-S148 PolarHBondContact O-N 3.22Å; N146-V157 PolarHBondContact ND2-N 3.32Å; N146-V157 PolarHBondContact ND2-O 2.88Å; N146-M168 HydrophobicContact CB-CG 4.43Å; N146-M168 HydrophobicContact CB-SD 3.52Å; N146-M168 VanDerWaalsContact CB-SD 3.52Å; N146-M168 VanDerWaalsContact CG-SD 3.59Å
147	P	78	Confident	73.6	Confident	43 Å²	43	68 Å²	68	28%	0.279	43%	0.433	S	S	.	.			trans	-61.2	135.7	-178.1	25.9	-34.7	0	0	0	111.2	S149	P147-S149 PolarHBondContact O-N 3.01Å
148	S	66.2	Low	72.4	Confident	80 Å²	80	74 Å²	74	56%	0.559	46%	0.457	S	S	*	.	S	Bend	trans	-61.4	-22	177.8	-39.1	0	0	0	0	113.6	N146 P156	N146-S148 PolarHBondContact O-N 3.22Å; S148-P156 WeakPolarHBondContact OG-CG 3.44Å
149	S	58	Low	71.7	Confident	101 Å²	101	75.3 Å²	75.3	71%	0.706	46%	0.463	S	S	*	.			trans	-101.1	72.4	-178.4	60.8	0	0	0	0	110.4	P147	P147-S149 PolarHBondContact O-N 3.01Å
150	N	50.7	Low	71.2	Confident	55 Å²	55	72 Å²	72	29%	0.294	45%	0.45	S	S	.	.			trans	-74.5	153.8	159.4	-71.5	-22.6	0	0	0	108.7	R113 H152 G153	R113-N150 PolarHBondContact NH2-ND2 2.97Å; R113-N150 PolarHBondContact NH2-OD1 2.82Å; N150-H152 PolarHBondContact O-N 2.69Å; N150-G153 PolarHBondContact O-N 2.89Å
151	A	51.7	Low	70.5	Confident	94 Å²	94	71.2 Å²	71.2	78%	0.777	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-6.1	177	0	0	0	0	0	114.9
152	H	48.9	Very low	70.1	Confident	178 Å²	178	71.3 Å²	71.3	82%	0.824	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	10.1	179.4	-61.1	-30.8	0	0	0	114.3	N150 S154	N150-H152 PolarHBondContact O-N 2.69Å; H152-S154 PolarHBondContact O-N 2.93Å; H152-S154 VanDerWaalsContact O-N 3.14Å
153	G	43.3	Very low	69.8	Low	71 Å²	71	76.4 Å²	76.4	73%	0.732	47%	0.471	S	S	*	.			trans	64.9	18	172.2	0	0	0	0	0	115.2	N150	N150-G153 PolarHBondContact O-N 2.89Å
154	S	48.5	Very low	69.8	Low	59 Å²	59	75.1 Å²	75.1	41%	0.413	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-77.3	136.3	175.7	41.9	0	0	0	0	111.3	H152	H152-S154 PolarHBondContact O-N 2.93Å; H152-S154 VanDerWaalsContact O-N 3.14Å
155	A	53.6	Low	69.8	Low	77 Å²	77	73.5 Å²	73.5	64%	0.636	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-55.5	155	174.7	0	0	0	0	0	111.7	V157	A155-V157 PolarHBondContact O-N 3.26Å
156	P	58.4	Low	70	Confident	68 Å²	68	73.4 Å²	73.4	44%	0.442	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-52.2	129.7	172.3	-18.8	27.6	0	0	0	110	S148 K158	S148-P156 WeakPolarHBondContact OG-CG 3.44Å; P156-K158 PolarHBondContact O-N 2.87Å
157	V	65.8	Low	70.2	Confident	53 Å²	53	75.9 Å²	75.9	32%	0.321	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-72.5	117.1	176.7	-174.5	0	0	0	0	108.1	N146 A155 M159 G169	N146-V157 PolarHBondContact ND2-N 3.32Å; N146-V157 PolarHBondContact ND2-O 2.88Å; A155-V157 PolarHBondContact O-N 3.26Å; V157-M159 PolarHBondContact O-N 3.18Å; V157-G169 VanDerWaalsContact CG1-N 3.32Å
158	K	70.5	Confident	70.8	Confident	151 Å²	151	74 Å²	74	66%	0.657	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-59	126.8	175.6	-166.9	-163.5	171.9	-159.7	0	108.3	P156 D161	P156-K158 PolarHBondContact O-N 2.87Å; K158-D161 VanDerWaalsContact NZ-CG 3.34Å; K158-D161 IonicContact NZ-OD1 3.39Å; K158-D161 PolarHBondContact NZ-OD1 3.07Å; K158-D161 IonicContact NZ-OD2 2.64Å; K158-D161 PolarHBondContact NZ-OD2 3.07Å
159	M	80.1	Confident	71.9	Confident	27 Å²	27	71.6 Å²	71.6	13%	0.133	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-67.6	149.7	172.7	-156.8	177.2	-71.6	0	0	110.3	K135 L138 E139 V157 I166 H167	K135-M159 HydrophobicContact CD-SD 4.3Å; K135-M159 HydrophobicContact CG-SD 3.63Å; L138-M159 HydrophobicContact CB-CE 3.52Å; L138-M159 HydrophobicContact CD1-CE 4.12Å; L138-M159 HydrophobicContact CG-CE 4.5Å; E139-M159 HydrophobicContact CG-CE 4.2Å; E139-M159 HydrophobicContact CG-SD 3.78Å; V157-M159 PolarHBondContact O-N 3.18Å; M159-I166 HydrophobicContact CE-CG2 4.23Å; M159-I166 HydrophobicContact CG-CG2 3.99Å; M159-I166 HydrophobicContact SD-CG2 3.92Å; M159-H167 WeakPolarHBondContact CA-O 3.46Å
160	T	81.4	Confident	73.5	Confident	35 Å²	35	69 Å²	69	22%	0.215	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-58.2	141.5	174.1	33.5	0	0	0	0	111.8	K135 S162 E165 H167	K135-T160 WeakPolarHBondContact CE-O 2.91Å; K135-T160 PolarHBondContact NZ-O 3.43Å; T160-S162 VanDerWaalsContact C-N 3.26Å; T160-S162 PolarHBondContact O-N 3.47Å; T160-E165 PolarHBondContact OG1-O 3.1Å; T160-H167 HydrophobicContact CG2-CB 3.59Å; T160-H167 PolarHBondContact OG1-N 3.22Å; T160-H167 VanDerWaalsContact OG1-N 3.13Å
161	D	79.5	Confident	75.6	Confident	130 Å²	130	66.4 Å²	66.4	70%	0.695	39%	0.393	S	S	*	.	S	Bend	trans	-76.4	-15.2	175.1	-58.2	-49	0	0	0	111.9	K158	K158-D161 VanDerWaalsContact NZ-CG 3.34Å; K158-D161 IonicContact NZ-OD1 3.39Å; K158-D161 PolarHBondContact NZ-OD1 3.07Å; K158-D161 IonicContact NZ-OD2 2.64Å; K158-D161 PolarHBondContact NZ-OD2 3.07Å
162	S	86	Confident	77.7	Confident	53 Å²	53	64 Å²	64	37%	0.371	37%	0.365	S	S	.	.			trans	-63.5	134.2	178.5	-177.8	0	0	0	0	112.1	K135 T160 E165	K135-S162 PolarHBondContact NZ-O 3.41Å; T160-S162 VanDerWaalsContact C-N 3.26Å; T160-S162 PolarHBondContact O-N 3.47Å; S162-E165 VanDerWaalsContact O-O 3.04Å
163	K	83.9	Confident	80	Confident	152 Å²	152	55.6 Å²	55.6	66%	0.661	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-35.7	-176.7	-81.2	-171.9	-179.3	-175.3	0	113.6	L132	L132-K163 HydrophobicContact CD2-CB 3.88Å; L132-K163 HydrophobicContact CD2-CG 4.28Å; L132-K163 VanDerWaalsContact CD2-O 3.27Å; L132-K163 WeakPolarHBondContact CD2-O 3.33Å
164	N	90.1	Very high	82.6	Confident	59 Å²	59	52.5 Å²	52.5	32%	0.316	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	11.2	-172.7	-59.3	9.7	0	0	0	112.2	D128 G175	D128-N164 VanDerWaalsContact CG-CG 3.49Å; D128-N164 WeakPolarHBondContact OD1-CB 3Å; D128-N164 VanDerWaalsContact OD1-CG 3.25Å; D128-N164 PolarHBondContact OD1-ND2 3.44Å; D128-N164 PolarHBondContact OD2-ND2 2.87Å; N164-G175 PolarHBondContact O-N 3.44Å
165	E	94	Very high	84.9	Confident	37 Å²	37	50.1 Å²	50.1	17%	0.173	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	137.9	-177.6	-64.4	175.5	-159.3	0	0	111	T160 S162 M173 V174 Y187 K191	T160-E165 PolarHBondContact OG1-O 3.1Å; S162-E165 VanDerWaalsContact O-O 3.04Å; E165-M173 CarbonylContact C-O 3.22Å; E165-M173 VanDerWaalsContact CA-O 3.31Å; E165-M173 WeakPolarHBondContact CA-O 3.47Å; E165-V174 HydrophobicContact CG-CG2 4.22Å; E165-Y187 HydrophobicContact CG-CE2 4.1Å; E165-K191 WeakPolarHBondContact OE1-CE 3.44Å; E165-K191 IonicContact OE1-NZ 2.77Å; E165-K191 PolarHBondContact OE1-NZ 3.38Å; E165-K191 IonicContact OE2-NZ 2.64Å; E165-K191 PolarHBondContact OE2-NZ 2.84Å
166	I	94.5	Very high	86.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.1	167.9	-52.8	173	0	0	0	107.3	V131 K134 K135 L138 M159 Y171 Y172 M173	V131-I166 HydrophobicContact CG1-CD1 4.1Å; V131-I166 HydrophobicContact CG1-CG1 3.92Å; K134-I166 HydrophobicContact CB-CD1 4.4Å; K135-I166 HydrophobicContact CB-CD1 3.78Å; K135-I166 HydrophobicContact CB-CG1 3.88Å; K135-I166 HydrophobicContact CD-CG1 4.27Å; K135-I166 HydrophobicContact CG-CD1 4.39Å; K135-I166 HydrophobicContact CG-CG1 4.05Å; L138-I166 HydrophobicContact CD1-CD1 4.06Å; L138-I166 HydrophobicContact CD1-CG2 4.11Å; M159-I166 HydrophobicContact CE-CG2 4.23Å; M159-I166 HydrophobicContact CG-CG2 3.99Å; M159-I166 HydrophobicContact SD-CG2 3.92Å; I166-Y171 HydrophobicContact CB-CE1 4.32Å; I166-Y171 HydrophobicContact CG2-CD1 4.15Å; I166-Y171 HydrophobicContact CG2-CE1 3.83Å; I166-Y172 CarbonylContact O-C 3.57Å; I166-Y172 VanDerWaalsContact O-CA 3.26Å; I166-Y172 WeakPolarHBondContact O-CA 3.33Å; I166-M173 HydrophobicContact CB-CB 3.95Å; I166-M173 HydrophobicContact CD1-CB 4.07Å; I166-M173 HydrophobicContact CD1-SD 3.9Å; I166-M173 HydrophobicContact CG1-CB 4.2Å; I166-M173 PolarHBondContact N-O 2.81Å; I166-M173 PolarHBondContact O-N 2.79Å
167	H	92	Very high	88.7	Confident	71 Å²	71	45.5 Å²	45.5	33%	0.329	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	120.2	168.1	175.3	-166.2	0	0	0	108.4	M159 T160 G169 Y172	M159-H167 WeakPolarHBondContact CA-O 3.46Å; T160-H167 HydrophobicContact CG2-CB 3.59Å; T160-H167 PolarHBondContact OG1-N 3.22Å; T160-H167 VanDerWaalsContact OG1-N 3.13Å; H167-G169 PolarHBondContact CD2-O 3.2Å; H167-G169 PolarHBondContact NE2-O 3.16Å; H167-Y172 HydrophobicContact CB-CD1 4.24Å; H167-Y172 HydrophobicContact CB-CE1 4.42Å; H167-Y172 AromaticContact CD2-CD1 3.75Å; H167-Y172 AromaticContact CD2-CE1 3.21Å; H167-Y172 WeakPolarHBondContact CD2-CE1 3.41Å; H167-Y172 AromaticContact CD2-CZ 3.78Å; H167-Y172 AromaticContact CE1-CE1 3.87Å; H167-Y172 AromaticContact CG-CD1 3.97Å; H167-Y172 AromaticContact CG-CE1 3.67Å; H167-Y172 AromaticContact NE2-CE1 3.39Å; H167-Y172 WeakPolarHBondContact NE2-CE1 3.27Å; H167-Y172 AromaticContact NE2-CZ 3.69Å; H167-Y172 PolarHBondContact NE2-OH 2.89Å
168	M	89.6	Confident	90.3	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	90.5	-178.9	-176.9	175.1	58.5	0	0	109.9	Y109 W110 N146 N170 Y171	Y109-M168 HydrophobicContact CE1-CE 4.2Å; W110-M168 HydrophobicContact CZ2-CE 3.92Å; N146-M168 HydrophobicContact CB-CG 4.43Å; N146-M168 HydrophobicContact CB-SD 3.52Å; N146-M168 VanDerWaalsContact CB-SD 3.52Å; N146-M168 VanDerWaalsContact CG-SD 3.59Å; M168-N170 PolarHBondContact O-N 3.48Å; M168-Y171 HydrophobicContact CB-CD1 4.34Å; M168-Y171 HydrophobicContact CE-CD1 4.13Å; M168-Y171 PolarHBondContact N-O 3.45Å; M168-Y171 WeakPolarHBondContact O-CB 3.24Å; M168-Y171 PolarHBondContact O-N 2.98Å
169	G	88.4	Confident	91.5	Very high	30 Å²	30	40.6 Å²	40.6	31%	0.309	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	-119.2	-177.3	0	0	0	0	0	110.3	V157 H167 Y171 Y172	V157-G169 VanDerWaalsContact CG1-N 3.32Å; H167-G169 PolarHBondContact CD2-O 3.2Å; H167-G169 PolarHBondContact NE2-O 3.16Å; G169-Y171 VanDerWaalsContact C-N 3.34Å; G169-Y172 PolarHBondContact O-OH 2.96Å
170	N	92.9	Very high	92.4	Very high	47 Å²	47	42.9 Å²	42.9	25%	0.251	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	8.8	175.6	69.3	-18.3	0	0	0	113.7	Y109 L119 K120 C121 F122 M168	Y109-N170 WeakPolarHBondContact CE2-OD1 3.38Å; Y109-N170 PolarHBondContact OH-OD1 2.89Å; L119-N170 PolarHBondContact O-ND2 2.69Å; K120-N170 WeakPolarHBondContact O-CB 3.45Å; C121-N170 CarbonylContact C-O 3.36Å; C121-N170 VanDerWaalsContact CA-O 3.24Å; C121-N170 WeakPolarHBondContact CA-O 3.39Å; F122-N170 PolarHBondContact N-O 2.95Å; M168-N170 PolarHBondContact O-N 3.48Å
171	Y	95.5	Very high	93.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	134.3	171.8	174.5	-98.5	0	0	0	111.3	Y109 W110 F122 E124 L138 I166 M168 G169 M173	Y109-Y171 AromaticContact CD1-CD2 3.64Å; Y109-Y171 HydrophobicContact CD1-CD2 3.64Å; Y109-Y171 HydrophobicContact CD1-CE2 4.35Å; Y109-Y171 AromaticContact CD1-CG 3.87Å; Y109-Y171 HydrophobicContact CD1-CG 3.87Å; Y109-Y171 AromaticContact CD2-CD2 3.97Å; Y109-Y171 HydrophobicContact CD2-CD2 3.97Å; Y109-Y171 HydrophobicContact CD2-CG 4.47Å; Y109-Y171 HydrophobicContact CE1-CD2 4.2Å; Y109-Y171 AromaticContact CE1-CG 3.99Å; Y109-Y171 HydrophobicContact CE1-CG 3.99Å; Y109-Y171 HydrophobicContact CE2-CD2 4.47Å; Y109-Y171 AromaticContact CG-CD2 3.51Å; Y109-Y171 HydrophobicContact CG-CD2 3.51Å; Y109-Y171 HydrophobicContact CG-CE2 4.24Å; Y109-Y171 HydrophobicContact CG-CG 4.13Å; Y109-Y171 VanDerWaalsContact CZ-CB 3.45Å; W110-Y171 HydrophobicContact CH2-CE1 4.3Å; W110-Y171 HydrophobicContact CH2-CE2 4.3Å; W110-Y171 AromaticContact CH2-CZ 3.87Å; W110-Y171 HydrophobicContact CZ2-CE1 4.24Å; F122-Y171 HydrophobicContact CB-CD2 4.41Å; F122-Y171 HydrophobicContact CD1-CD2 4.3Å; F122-Y171 HydrophobicContact CD1-CE2 4.41Å; F122-Y171 CarbonylContact O-C 3.53Å; F122-Y171 WeakPolarHBondContact O-CA 3.37Å; E124-Y171 HydrophobicContact CG-CE2 3.99Å; E124-Y171 WeakPolarHBondContact OE2-CE2 3.28Å; E124-Y171 PolarHBondContact OE2-OH 3.3Å; L138-Y171 HydrophobicContact CD1-CE1 4.39Å; I166-Y171 HydrophobicContact CB-CE1 4.32Å; I166-Y171 HydrophobicContact CG2-CD1 4.15Å; I166-Y171 HydrophobicContact CG2-CE1 3.83Å; M168-Y171 HydrophobicContact CB-CD1 4.34Å; M168-Y171 HydrophobicContact CE-CD1 4.13Å; M168-Y171 PolarHBondContact N-O 3.45Å; M168-Y171 WeakPolarHBondContact O-CB 3.24Å; M168-Y171 PolarHBondContact O-N 2.98Å; G169-Y171 VanDerWaalsContact C-N 3.34Å; Y171-M173 HydrophobicContact CE1-CB 4.26Å
172	Y	95.5	Very high	94	Very high	45 Å²	45	42.6 Å²	42.6	18%	0.176	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	141.7	176.9	-55.2	-91.1	0	0	0	109.3	C121 F122 V123 E124 I166 H167 G169 V193	C121-Y172 HydrophobicContact CB-CD2 4.22Å; C121-Y172 HydrophobicContact CB-CE2 3.94Å; F122-Y172 PolarHBondContact O-N 3.1Å; V123-Y172 CarbonylContact C-O 3.38Å; V123-Y172 WeakPolarHBondContact CA-O 3.1Å; V123-Y172 HydrophobicContact CG2-CD2 4.05Å; V123-Y172 HydrophobicContact CG2-CG 4.45Å; E124-Y172 PolarHBondContact N-O 2.77Å; I166-Y172 CarbonylContact O-C 3.57Å; I166-Y172 VanDerWaalsContact O-CA 3.26Å; I166-Y172 WeakPolarHBondContact O-CA 3.33Å; H167-Y172 HydrophobicContact CB-CD1 4.24Å; H167-Y172 HydrophobicContact CB-CE1 4.42Å; H167-Y172 AromaticContact CD2-CD1 3.75Å; H167-Y172 AromaticContact CD2-CE1 3.21Å; H167-Y172 WeakPolarHBondContact CD2-CE1 3.41Å; H167-Y172 AromaticContact CD2-CZ 3.78Å; H167-Y172 AromaticContact CE1-CE1 3.87Å; H167-Y172 AromaticContact CG-CD1 3.97Å; H167-Y172 AromaticContact CG-CE1 3.67Å; H167-Y172 AromaticContact NE2-CE1 3.39Å; H167-Y172 WeakPolarHBondContact NE2-CE1 3.27Å; H167-Y172 AromaticContact NE2-CZ 3.69Å; H167-Y172 PolarHBondContact NE2-OH 2.89Å; G169-Y172 PolarHBondContact O-OH 2.96Å; Y172-V193 HydrophobicContact CD1-CB 4.17Å; Y172-V193 HydrophobicContact CD1-CG1 3.48Å; Y172-V193 VanDerWaalsContact CD1-CG1 3.48Å; Y172-V193 HydrophobicContact CD2-CB 4.32Å; Y172-V193 HydrophobicContact CD2-CG1 4.49Å; Y172-V193 HydrophobicContact CE1-CB 4.41Å; Y172-V193 HydrophobicContact CE1-CG1 3.7Å; Y172-V193 HydrophobicContact CG-CB 4.12Å; Y172-V193 HydrophobicContact CG-CG1 3.92Å
173	M	97	Very high	94.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138.4	165.3	-168.5	-178.2	-162.8	0	0	109.3	E124 D126 I130 V131 K134 E165 I166 Y171	E124-M173 HydrophobicContact CB-CB 4.16Å; E124-M173 HydrophobicContact CB-CG 3.79Å; E124-M173 CarbonylContact O-C 2.99Å; E124-M173 VanDerWaalsContact O-CA 3.24Å; E124-M173 WeakPolarHBondContact O-CA 3.4Å; D126-M173 HydrophobicContact CB-CE 3.87Å; I130-M173 HydrophobicContact CG2-CE 4.1Å; V131-M173 HydrophobicContact CB-SD 4.26Å; V131-M173 HydrophobicContact CG1-CG 4.23Å; V131-M173 HydrophobicContact CG1-SD 4.16Å; V131-M173 HydrophobicContact CG2-CE 3.91Å; V131-M173 HydrophobicContact CG2-CG 3.9Å; V131-M173 HydrophobicContact CG2-SD 3.9Å; K134-M173 HydrophobicContact CB-SD 4.28Å; K134-M173 HydrophobicContact CD-CE 3.87Å; K134-M173 HydrophobicContact CD-SD 3.49Å; K134-M173 WeakPolarHBondContact CD-SD 3.21Å; K134-M173 HydrophobicContact CG-SD 4.4Å; E165-M173 CarbonylContact C-O 3.22Å; E165-M173 VanDerWaalsContact CA-O 3.31Å; E165-M173 WeakPolarHBondContact CA-O 3.47Å; I166-M173 HydrophobicContact CB-CB 3.95Å; I166-M173 HydrophobicContact CD1-CB 4.07Å; I166-M173 HydrophobicContact CD1-SD 3.9Å; I166-M173 HydrophobicContact CG1-CB 4.2Å; I166-M173 PolarHBondContact N-O 2.81Å; I166-M173 PolarHBondContact O-N 2.79Å; Y171-M173 HydrophobicContact CE1-CB 4.26Å
174	V	96.9	Very high	95.1	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.036	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	141.7	177.5	60.6	0	0	0	0	111.3	E124 V125 D126 E165 Y187	E124-V174 PolarHBondContact O-N 3.26Å; V125-V174 WeakPolarHBondContact CA-O 3.45Å; V125-V174 HydrophobicContact CB-CG1 4.46Å; V125-V174 HydrophobicContact CG1-CG1 4.31Å; V125-V174 HydrophobicContact CG2-CG1 3.88Å; D126-V174 PolarHBondContact N-O 2.8Å; E165-V174 HydrophobicContact CG-CG2 4.22Å; V174-Y187 HydrophobicContact CB-CD1 4.2Å; V174-Y187 HydrophobicContact CB-CD2 4.39Å; V174-Y187 HydrophobicContact CB-CE1 3.67Å; V174-Y187 HydrophobicContact CB-CE2 3.86Å; V174-Y187 VanDerWaalsContact CB-CZ 3.49Å; V174-Y187 HydrophobicContact CG1-CD1 3.8Å; V174-Y187 HydrophobicContact CG1-CE1 3.52Å; V174-Y187 HydrophobicContact CG1-CG 4.44Å; V174-Y187 HydrophobicContact CG2-CD1 4.17Å; V174-Y187 HydrophobicContact CG2-CD2 3.66Å; V174-Y187 HydrophobicContact CG2-CE1 4Å; V174-Y187 HydrophobicContact CG2-CE2 3.44Å; V174-Y187 VanDerWaalsContact CG2-CE2 3.44Å; V174-Y187 HydrophobicContact CG2-CG 4.03Å
175	G	96.8	Very high	95.4	Very high	9 Å²	9	36.8 Å²	36.8	9%	0.093	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	116.4	170.1	0	0	0	0	0	110.2	D126 D128 N164	D126-G175 CarbonylContact O-C 3.44Å; D126-G175 WeakPolarHBondContact O-CA 3.19Å; D128-G175 WeakPolarHBondContact OD1-CA 3.38Å; N164-G175 PolarHBondContact O-N 3.44Å
176	S	96.4	Very high	95.5	Very high	8 Å²	8	38.2 Å²	38.2	6%	0.056	19%	0.194	C	C	.	.			trans	-160.1	149.4	176	-177.1	0	0	0	0	111.1	D126 E183	D126-S176 PolarHBondContact O-N 2.68Å; S176-E183 PolarHBondContact OG-OE2 3.19Å
177	D	96.5	Very high	95.5	Very high	41 Å²	41	39.5 Å²	39.5	22%	0.219	20%	0.199	C	C	.	.			trans	-85.2	118.9	172	-169.8	-31.4	0	0	0	110.1	F127 R179 D180	F127-D177 HydrophobicContact CE1-CB 4.4Å; D177-R179 VanDerWaalsContact CG-NE 3.31Å; D177-R179 PolarHBondContact O-N 2.89Å; D177-R179 VanDerWaalsContact OD1-CB 3.24Å; D177-R179 WeakPolarHBondContact OD1-CB 3.41Å; D177-R179 VanDerWaalsContact OD1-CG 3.26Å; D177-R179 WeakPolarHBondContact OD1-CG 3.49Å; D177-R179 IonicContact OD1-CZ 3.7Å; D177-R179 PolarHBondContact OD1-N 3.14Å; D177-R179 IonicContact OD1-NE 3.34Å; D177-R179 PolarHBondContact OD1-NE 3.18Å; D177-R179 IonicContact OD1-NH2 2.63Å; D177-R179 IonicContact OD2-CZ 3.02Å; D177-R179 IonicContact OD2-NE 3.62Å; D177-R179 PolarHBondContact OD2-NE 2.69Å; D177-R179 IonicContact OD2-NH2 3.16Å; D177-R179 PolarHBondContact OD2-NH2 3.28Å; D177-D180 PolarHBondContact O-N 3.32Å
178	L	98	Very high	95.7	Very high	17 Å²	17	36.1 Å²	36.1	9%	0.089	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.6	-178	-59.7	-179.6	0	0	0	114	L101 V125 D180 L184 V207 L219	L101-L178 HydrophobicContact CB-CD1 3.97Å; L101-L178 HydrophobicContact CB-CD2 4.17Å; L101-L178 HydrophobicContact CD2-CD2 3.95Å; L101-L178 HydrophobicContact CG-CD2 4.44Å; V125-L178 HydrophobicContact CB-CD2 4.27Å; V125-L178 HydrophobicContact CG1-CD2 3.69Å; L178-D180 VanDerWaalsContact C-N 3.35Å; L178-L184 HydrophobicContact CD2-CD2 4.23Å; L178-V207 HydrophobicContact CD1-CG1 3.6Å; L178-L219 HydrophobicContact CB-CD2 4.2Å; L178-L219 HydrophobicContact CD1-CD2 4.45Å
179	R	97.1	Very high	95.9	Very high	83 Å²	83	39.2 Å²	39.2	31%	0.313	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-31.9	171	-61.8	174.3	-73.8	-165.4	0.2	111.9	E26 D177 V181 L211 E215	E26-R179 IonicContact OE1-CZ 3.88Å; E26-R179 IonicContact OE1-NH1 3.16Å; E26-R179 PolarHBondContact OE1-NH1 2.8Å; E26-R179 IonicContact OE1-NH2 3.21Å; E26-R179 PolarHBondContact OE1-NH2 3.27Å; D177-R179 VanDerWaalsContact CG-NE 3.31Å; D177-R179 PolarHBondContact O-N 2.89Å; D177-R179 VanDerWaalsContact OD1-CB 3.24Å; D177-R179 WeakPolarHBondContact OD1-CB 3.41Å; D177-R179 VanDerWaalsContact OD1-CG 3.26Å; D177-R179 WeakPolarHBondContact OD1-CG 3.49Å; D177-R179 IonicContact OD1-CZ 3.7Å; D177-R179 PolarHBondContact OD1-N 3.14Å; D177-R179 IonicContact OD1-NE 3.34Å; D177-R179 PolarHBondContact OD1-NE 3.18Å; D177-R179 IonicContact OD1-NH2 2.63Å; D177-R179 IonicContact OD2-CZ 3.02Å; D177-R179 IonicContact OD2-NE 3.62Å; D177-R179 PolarHBondContact OD2-NE 2.69Å; D177-R179 IonicContact OD2-NH2 3.16Å; D177-R179 PolarHBondContact OD2-NH2 3.28Å; R179-V181 PolarHBondContact O-N 2.88Å; R179-L211 HydrophobicContact CG-CD2 3.83Å; R179-E215 WeakPolarHBondContact CD-OE1 3.35Å; R179-E215 HydrophobicContact CG-CG 4.16Å; R179-E215 WeakPolarHBondContact CG-OE1 3.49Å
180	D	97.6	Very high	96.2	Very high	75 Å²	75	42.5 Å²	42.5	40%	0.401	22%	0.216	S	C	.	.			trans	-91.4	75.7	177.3	-164.3	-20.3	0	0	0	111.2	D177 L178 K182 E183 L184	D177-D180 PolarHBondContact O-N 3.32Å; L178-D180 VanDerWaalsContact C-N 3.35Å; D180-K182 PolarHBondContact O-N 2.95Å; D180-K182 VanDerWaalsContact O-N 3.1Å; D180-K182 WeakPolarHBondContact OD1-CB 3.35Å; D180-K182 PolarHBondContact OD1-N 2.85Å; D180-K182 VanDerWaalsContact OD1-N 3.14Å; D180-E183 HydrophobicContact CB-CB 4.04Å; D180-E183 PolarHBondContact O-N 2.8Å; D180-E183 PolarHBondContact OD1-N 3.09Å; D180-L184 PolarHBondContact O-N 2.67Å; D180-L184 VanDerWaalsContact O-N 3.11Å
181	V	97.9	Very high	96	Very high	23 Å²	23	44.7 Å²	44.7	14%	0.139	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-21.2	176.9	-60.1	0	0	0	0	113.1	R179 N185 N218 L219 Y222	R179-V181 PolarHBondContact O-N 2.88Å; V181-N185 VanDerWaalsContact O-CB 3.29Å; V181-N185 WeakPolarHBondContact O-CB 3.43Å; V181-N185 PolarHBondContact O-N 3.04Å; V181-N218 WeakPolarHBondContact CG2-ND2 3.13Å; V181-L219 HydrophobicContact CG1-CB 4.42Å; V181-L219 HydrophobicContact CG1-CD1 4.19Å; V181-Y222 HydrophobicContact CB-CD1 4.08Å; V181-Y222 HydrophobicContact CB-CG 3.94Å; V181-Y222 HydrophobicContact CG1-CD1 4.2Å; V181-Y222 HydrophobicContact CG1-CG 4.28Å
182	K	97.5	Very high	95.8	Very high	137 Å²	137	52.1 Å²	52.1	60%	0.596	26%	0.258	S	S	*	.	H	α-helix	trans	-75.1	-49.2	178.3	-176.7	-170.6	175.8	-62.2	0	110	D180 L184 N185 D186	D180-K182 PolarHBondContact O-N 2.95Å; D180-K182 VanDerWaalsContact O-N 3.1Å; D180-K182 WeakPolarHBondContact OD1-CB 3.35Å; D180-K182 PolarHBondContact OD1-N 2.85Å; D180-K182 VanDerWaalsContact OD1-N 3.14Å; K182-L184 VanDerWaalsContact C-N 3.28Å; K182-L184 PolarHBondContact O-N 2.56Å; K182-N185 PolarHBondContact O-N 3.37Å; K182-D186 IonicContact NZ-OD2 2.83Å; K182-D186 PolarHBondContact NZ-OD2 3.4Å; K182-D186 WeakPolarHBondContact O-CB 3.34Å; K182-D186 PolarHBondContact O-N 3.31Å
183	E	95.9	Very high	95.5	Very high	93 Å²	93	50.5 Å²	50.5	44%	0.435	25%	0.253	S	S	.	.	H	α-helix	trans	-55.6	-47.3	173.7	-177.3	-172.2	-135	0	0	110.7	S176 D180 N185 D186 Y187	S176-E183 PolarHBondContact OG-OE2 3.19Å; D180-E183 HydrophobicContact CB-CB 4.04Å; D180-E183 PolarHBondContact O-N 2.8Å; D180-E183 PolarHBondContact OD1-N 3.09Å; E183-N185 VanDerWaalsContact C-N 3.34Å; E183-N185 PolarHBondContact O-N 3.47Å; E183-D186 PolarHBondContact O-N 3.36Å; E183-Y187 PolarHBondContact O-N 3.29Å
184	L	96.5	Very high	95.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.2	-45.1	178.8	-173.3	61.5	0	0	0	112.3	L101 V125 L178 D180 K182 F188 L219 Y222	L101-L184 HydrophobicContact CD2-CD2 4.49Å; V125-L184 HydrophobicContact CG1-CD1 3.92Å; V125-L184 HydrophobicContact CG2-CD1 3.95Å; L178-L184 HydrophobicContact CD2-CD2 4.23Å; D180-L184 PolarHBondContact O-N 2.67Å; D180-L184 VanDerWaalsContact O-N 3.11Å; K182-L184 VanDerWaalsContact C-N 3.28Å; K182-L184 PolarHBondContact O-N 2.56Å; L184-F188 HydrophobicContact CD1-CE1 4.05Å; L184-F188 HydrophobicContact CD1-CE2 3.79Å; L184-F188 HydrophobicContact CD1-CZ 3.43Å; L184-F188 VanDerWaalsContact CD1-CZ 3.43Å; L184-F188 HydrophobicContact CD2-CE2 4.2Å; L184-F188 HydrophobicContact CD2-CZ 4.45Å; L184-F188 HydrophobicContact CG-CD2 4.36Å; L184-F188 HydrophobicContact CG-CE2 3.63Å; L184-F188 HydrophobicContact CG-CZ 3.83Å; L184-F188 WeakPolarHBondContact O-CD2 3.42Å; L184-F188 WeakPolarHBondContact O-CG 3.34Å; L184-F188 PolarHBondContact O-N 2.76Å; L184-L219 HydrophobicContact CD2-CD1 4.4Å; L184-Y222 HydrophobicContact CD2-CE1 3.88Å; L184-Y222 HydrophobicContact CG-CE1 4.28Å
185	N	96.5	Very high	95.4	Very high	48 Å²	48	53.3 Å²	53.3	26%	0.257	27%	0.268	S	S	.	.	H	α-helix	trans	-64.3	-47.8	175.9	179.3	81.3	0	0	0	112.4	V181 K182 E183 Y187 F188 V189 Y222	V181-N185 VanDerWaalsContact O-CB 3.29Å; V181-N185 WeakPolarHBondContact O-CB 3.43Å; V181-N185 PolarHBondContact O-N 3.04Å; K182-N185 PolarHBondContact O-N 3.37Å; E183-N185 VanDerWaalsContact C-N 3.34Å; E183-N185 PolarHBondContact O-N 3.47Å; N185-Y187 PolarHBondContact O-N 3.17Å; N185-F188 PolarHBondContact O-N 2.83Å; N185-F188 VanDerWaalsContact O-N 3.15Å; N185-V189 WeakPolarHBondContact O-CG2 3.37Å; N185-V189 PolarHBondContact O-N 3.09Å; N185-Y222 VanDerWaalsContact CA-OH 3.26Å; N185-Y222 WeakPolarHBondContact CA-OH 3.27Å; N185-Y222 HydrophobicContact CB-CE2 3.63Å
186	D	96.1	Very high	95.4	Very high	67 Å²	67	55.4 Å²	55.4	36%	0.358	27%	0.274	S	S	.	.	H	α-helix	trans	-59.7	-37.7	-178.7	-71.2	-12.4	0	0	0	110.7	K182 E183 T190	K182-D186 IonicContact NZ-OD2 2.83Å; K182-D186 PolarHBondContact NZ-OD2 3.4Å; K182-D186 WeakPolarHBondContact O-CB 3.34Å; K182-D186 PolarHBondContact O-N 3.31Å; E183-D186 PolarHBondContact O-N 3.36Å; D186-T190 WeakPolarHBondContact O-CB 2.98Å; D186-T190 PolarHBondContact O-N 3.36Å; D186-T190 PolarHBondContact O-OG1 2.83Å
187	Y	94.7	Very high	95.2	Very high	27 Å²	27	57.9 Å²	57.9	11%	0.106	30%	0.295	C	S	.	.	H	α-helix	trans	-61.8	-53.5	172.3	176.5	-95.2	0	0	0	112.2	E165 V174 E183 N185 V189 T190 K191 V193	E165-Y187 HydrophobicContact CG-CE2 4.1Å; V174-Y187 HydrophobicContact CB-CD1 4.2Å; V174-Y187 HydrophobicContact CB-CD2 4.39Å; V174-Y187 HydrophobicContact CB-CE1 3.67Å; V174-Y187 HydrophobicContact CB-CE2 3.86Å; V174-Y187 VanDerWaalsContact CB-CZ 3.49Å; V174-Y187 HydrophobicContact CG1-CD1 3.8Å; V174-Y187 HydrophobicContact CG1-CE1 3.52Å; V174-Y187 HydrophobicContact CG1-CG 4.44Å; V174-Y187 HydrophobicContact CG2-CD1 4.17Å; V174-Y187 HydrophobicContact CG2-CD2 3.66Å; V174-Y187 HydrophobicContact CG2-CE1 4Å; V174-Y187 HydrophobicContact CG2-CE2 3.44Å; V174-Y187 VanDerWaalsContact CG2-CE2 3.44Å; V174-Y187 HydrophobicContact CG2-CG 4.03Å; E183-Y187 PolarHBondContact O-N 3.29Å; N185-Y187 PolarHBondContact O-N 3.17Å; Y187-V189 VanDerWaalsContact C-N 3.29Å; Y187-V189 PolarHBondContact O-N 3.2Å; Y187-T190 PolarHBondContact O-N 3.41Å; Y187-K191 HydrophobicContact CD2-CG 3.69Å; Y187-K191 HydrophobicContact CE2-CB 4.39Å; Y187-K191 HydrophobicContact CE2-CD 4.25Å; Y187-K191 HydrophobicContact CE2-CG 3.51Å; Y187-K191 HydrophobicContact CG-CG 4.29Å; Y187-K191 WeakPolarHBondContact O-CB 3.47Å; Y187-K191 WeakPolarHBondContact O-CG 3.02Å; Y187-K191 PolarHBondContact O-N 3.12Å; Y187-V193 HydrophobicContact CD1-CG2 4.48Å; Y187-V193 HydrophobicContact CE1-CG2 3.92Å
188	F	95.8	Very high	95.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.9	-39.9	-178.6	-64.9	-28.9	0	0	0	112.5	L99 V123 V125 L184 N185 H192 V193 L194 F196 Y222	L99-F188 HydrophobicContact CD1-CE1 4.29Å; L99-F188 HydrophobicContact CD1-CZ 3.76Å; L99-F188 HydrophobicContact CD2-CE2 4Å; L99-F188 HydrophobicContact CD2-CZ 3.97Å; V123-F188 HydrophobicContact CG1-CE1 4.01Å; V125-F188 HydrophobicContact CG2-CE1 4.32Å; V125-F188 HydrophobicContact CG2-CZ 4.07Å; L184-F188 HydrophobicContact CD1-CE1 4.05Å; L184-F188 HydrophobicContact CD1-CE2 3.79Å; L184-F188 HydrophobicContact CD1-CZ 3.43Å; L184-F188 VanDerWaalsContact CD1-CZ 3.43Å; L184-F188 HydrophobicContact CD2-CE2 4.2Å; L184-F188 HydrophobicContact CD2-CZ 4.45Å; L184-F188 HydrophobicContact CG-CD2 4.36Å; L184-F188 HydrophobicContact CG-CE2 3.63Å; L184-F188 HydrophobicContact CG-CZ 3.83Å; L184-F188 WeakPolarHBondContact O-CD2 3.42Å; L184-F188 WeakPolarHBondContact O-CG 3.34Å; L184-F188 PolarHBondContact O-N 2.76Å; N185-F188 PolarHBondContact O-N 2.83Å; N185-F188 VanDerWaalsContact O-N 3.15Å; F188-H192 PolarHBondContact O-N 2.93Å; F188-V193 HydrophobicContact CD1-CG2 3.83Å; F188-L194 HydrophobicContact CD1-CD1 3.85Å; F188-L194 HydrophobicContact CD1-CG 4.46Å; F188-L194 HydrophobicContact CD2-CD1 3.95Å; F188-L194 HydrophobicContact CE1-CD1 3.93Å; F188-L194 HydrophobicContact CE2-CD1 4Å; F188-L194 HydrophobicContact CG-CD1 3.9Å; F188-L194 HydrophobicContact CZ-CD1 4Å; F188-F196 HydrophobicContact CB-CE2 4.4Å; F188-F196 HydrophobicContact CB-CZ 3.74Å; F188-Y222 WeakPolarHBondContact CD2-OH 3.46Å
189	V	94.8	Very high	95	Very high	68 Å²	68	58.1 Å²	58.1	41%	0.412	30%	0.295	S	S	.	.	H	α-helix	trans	-67.7	-48.8	176.7	172.6	0	0	0	0	111.3	N185 Y187 H192 F196	N185-V189 WeakPolarHBondContact O-CG2 3.37Å; N185-V189 PolarHBondContact O-N 3.09Å; Y187-V189 VanDerWaalsContact C-N 3.29Å; Y187-V189 PolarHBondContact O-N 3.2Å; V189-H192 PolarHBondContact O-CE1 2.85Å; V189-H192 VanDerWaalsContact O-CE1 3.27Å; V189-H192 PolarHBondContact O-ND1 3.43Å; V189-F196 HydrophobicContact CG2-CE2 3.98Å; V189-F196 HydrophobicContact CG2-CZ 3.88Å
190	T	93.4	Very high	95	Very high	98 Å²	98	54.2 Å²	54.2	60%	0.601	28%	0.28	S	S	*	.	H	α-helix	trans	-71	-37	-173.1	-58.6	0	0	0	0	112.4	D186 Y187	D186-T190 WeakPolarHBondContact O-CB 2.98Å; D186-T190 PolarHBondContact O-N 3.36Å; D186-T190 PolarHBondContact O-OG1 2.83Å; Y187-T190 PolarHBondContact O-N 3.41Å
191	K	90	Very high	95	Very high	93 Å²	93	50.6 Å²	50.6	40%	0.404	26%	0.261	S	S	.	.	H	α-helix	trans	-90.5	-9.4	-175.6	-58.9	-70	-176.2	136.5	0	113.3	E165 Y187 V193	E165-K191 WeakPolarHBondContact OE1-CE 3.44Å; E165-K191 IonicContact OE1-NZ 2.77Å; E165-K191 PolarHBondContact OE1-NZ 3.38Å; E165-K191 IonicContact OE2-NZ 2.64Å; E165-K191 PolarHBondContact OE2-NZ 2.84Å; Y187-K191 HydrophobicContact CD2-CG 3.69Å; Y187-K191 HydrophobicContact CE2-CB 4.39Å; Y187-K191 HydrophobicContact CE2-CD 4.25Å; Y187-K191 HydrophobicContact CE2-CG 3.51Å; Y187-K191 HydrophobicContact CG-CG 4.29Å; Y187-K191 WeakPolarHBondContact O-CB 3.47Å; Y187-K191 WeakPolarHBondContact O-CG 3.02Å; Y187-K191 PolarHBondContact O-N 3.12Å; K191-V193 HydrophobicContact CB-CG1 3.71Å; K191-V193 PolarHBondContact O-N 3.04Å; K191-V193 VanDerWaalsContact O-N 3.15Å
192	H	90.6	Very high	95.1	Very high	157 Å²	157	49.5 Å²	49.5	73%	0.727	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	33.8	-178.4	-56.5	-66.4	0	0	0	113.5	F188 V189	F188-H192 PolarHBondContact O-N 2.93Å; V189-H192 PolarHBondContact O-CE1 2.85Å; V189-H192 VanDerWaalsContact O-CE1 3.27Å; V189-H192 PolarHBondContact O-ND1 3.43Å
193	V	89.4	Confident	95.1	Very high	10 Å²	10	43.2 Å²	43.2	6%	0.061	23%	0.228	C	C	.	.			trans	-80.3	-23.8	-178.2	-62.4	0	0	0	0	112.8	C121 V123 Y172 Y187 F188 K191	C121-V193 PolarHBondContact SG-O 3.44Å; V123-V193 HydrophobicContact CG2-CB 4.43Å; V123-V193 HydrophobicContact CG2-CG2 4.45Å; Y172-V193 HydrophobicContact CD1-CB 4.17Å; Y172-V193 HydrophobicContact CD1-CG1 3.48Å; Y172-V193 VanDerWaalsContact CD1-CG1 3.48Å; Y172-V193 HydrophobicContact CD2-CB 4.32Å; Y172-V193 HydrophobicContact CD2-CG1 4.49Å; Y172-V193 HydrophobicContact CE1-CB 4.41Å; Y172-V193 HydrophobicContact CE1-CG1 3.7Å; Y172-V193 HydrophobicContact CG-CB 4.12Å; Y172-V193 HydrophobicContact CG-CG1 3.92Å; Y187-V193 HydrophobicContact CD1-CG2 4.48Å; Y187-V193 HydrophobicContact CE1-CG2 3.92Å; F188-V193 HydrophobicContact CD1-CG2 3.83Å; K191-V193 HydrophobicContact CB-CG1 3.71Å; K191-V193 PolarHBondContact O-N 3.04Å; K191-V193 VanDerWaalsContact O-N 3.15Å
194	L	96.2	Very high	95.3	Very high	9 Å²	9	38.8 Å²	38.8	5%	0.047	21%	0.207	C	C	.	.	S	Bend	trans	-123.3	144.2	175.2	-67.5	173.7	0	0	0	109.9	Q97 L99 V123 F188 I200 F227	Q97-L194 HydrophobicContact CB-CD2 4.2Å; L99-L194 HydrophobicContact CD1-CD1 4.38Å; L99-L194 HydrophobicContact CD2-CD1 4.04Å; V123-L194 HydrophobicContact CB-CD2 4.3Å; V123-L194 HydrophobicContact CG2-CD2 3.6Å; V123-L194 HydrophobicContact CG2-CG 3.97Å; F188-L194 HydrophobicContact CD1-CD1 3.85Å; F188-L194 HydrophobicContact CD1-CG 4.46Å; F188-L194 HydrophobicContact CD2-CD1 3.95Å; F188-L194 HydrophobicContact CE1-CD1 3.93Å; F188-L194 HydrophobicContact CE2-CD1 4Å; F188-L194 HydrophobicContact CG-CD1 3.9Å; F188-L194 HydrophobicContact CZ-CD1 4Å; L194-I200 HydrophobicContact CD1-CD1 4.09Å; L194-I200 HydrophobicContact CD2-CD1 4Å; L194-F227 HydrophobicContact CB-CE1 4.25Å; L194-F227 HydrophobicContact CB-CZ 4.5Å; L194-F227 HydrophobicContact CD1-CE1 4.29Å; L194-F227 HydrophobicContact CD1-CZ 3.82Å
195	D	95.7	Very high	95.3	Very high	57 Å²	57	40.1 Å²	40.1	31%	0.305	21%	0.213	S	C	.	.			trans	-103.8	111.3	172.8	-172.4	-25	0	0	0	109.1	Q97 K120 A197 E198	Q97-D195 PolarHBondContact NE2-O 3.48Å; K120-D195 VanDerWaalsContact NZ-CB 3.32Å; K120-D195 IonicContact NZ-OD2 3.12Å; K120-D195 PolarHBondContact NZ-OD2 3.43Å; D195-A197 PolarHBondContact O-N 2.88Å; D195-A197 PolarHBondContact OD1-N 2.72Å; D195-A197 VanDerWaalsContact OD1-N 3.12Å; D195-E198 HydrophobicContact CB-CB 4.11Å; D195-E198 HydrophobicContact CB-CG 3.99Å; D195-E198 PolarHBondContact O-N 3.4Å; D195-E198 WeakPolarHBondContact OD2-CG 3.33Å
196	F	95.9	Very high	95.4	Very high	53 Å²	53	38.8 Å²	38.8	23%	0.232	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.5	-173	-65.2	-92.6	0	0	0	114	F188 V189 A226 F227 S228	F188-F196 HydrophobicContact CB-CE2 4.4Å; F188-F196 HydrophobicContact CB-CZ 3.74Å; V189-F196 HydrophobicContact CG2-CE2 3.98Å; V189-F196 HydrophobicContact CG2-CZ 3.88Å; F196-A226 HydrophobicContact CD1-CB 4.07Å; F196-A226 VanDerWaalsContact CD1-O 3.3Å; F196-A226 WeakPolarHBondContact CD1-O 3.04Å; F196-A226 HydrophobicContact CE1-CB 4.03Å; F196-F227 HydrophobicContact CB-CD1 4.41Å; F196-F227 AromaticContact CD1-CD1 4Å; F196-F227 HydrophobicContact CD1-CD1 4Å; F196-F227 AromaticContact CD1-CE1 3.67Å; F196-F227 HydrophobicContact CD1-CE1 3.67Å; F196-F227 AromaticContact CD1-CZ 3.95Å; F196-F227 HydrophobicContact CD1-CZ 3.95Å; F196-F227 HydrophobicContact CE1-CE1 4.12Å; F196-F227 AromaticContact CE1-CZ 3.96Å; F196-F227 HydrophobicContact CE1-CZ 3.96Å; F196-F227 HydrophobicContact CG-CD1 4.47Å; F196-F227 HydrophobicContact CG-CE1 4.22Å; F196-S228 PolarHBondContact O-N 2.98Å
197	A	94	Very high	95.5	Very high	60 Å²	60	36.2 Å²	36.2	50%	0.496	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-24.5	177.1	0	0	0	0	0	113.4	D195 S228 N229	D195-A197 PolarHBondContact O-N 2.88Å; D195-A197 PolarHBondContact OD1-N 2.72Å; D195-A197 VanDerWaalsContact OD1-N 3.12Å; A197-S228 PolarHBondContact O-OG 3.47Å; A197-N229 PolarHBondContact O-ND2 2.8Å
198	E	94.1	Very high	95.7	Very high	55 Å²	55	35 Å²	35	26%	0.257	19%	0.189	S	C	.	.	S	Bend	trans	-84.4	157.8	-175	-70.8	-65.3	167.1	0	0	113	D195 I200	D195-E198 HydrophobicContact CB-CB 4.11Å; D195-E198 HydrophobicContact CB-CG 3.99Å; D195-E198 PolarHBondContact O-N 3.4Å; D195-E198 WeakPolarHBondContact OD2-CG 3.33Å; E198-I200 PolarHBondContact O-N 3.14Å
199	P	95.3	Very high	95.7	Very high	8 Å²	8	35.1 Å²	35.1	5%	0.052	19%	0.19	C	C	.	.			trans	-57.3	131.6	177.1	-24.3	34.7	0	0	0	112.6	F88 Y92 Q97	F88-P199 HydrophobicContact CE2-CB 4.25Å; F88-P199 HydrophobicContact CZ-CB 4.2Å; Y92-P199 HydrophobicContact CD1-CB 3.63Å; Y92-P199 HydrophobicContact CD1-CG 3.48Å; Y92-P199 VanDerWaalsContact CD1-CG 3.48Å; Y92-P199 HydrophobicContact CD2-CB 4.07Å; Y92-P199 HydrophobicContact CE1-CB 3.75Å; Y92-P199 HydrophobicContact CE1-CG 3.67Å; Y92-P199 HydrophobicContact CE2-CB 4.21Å; Y92-P199 HydrophobicContact CG-CB 3.79Å; Y92-P199 HydrophobicContact CG-CG 4.08Å; Q97-P199 PolarHBondContact N-O 2.75Å
200	I	97.2	Very high	95.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.9	177.5	-168.2	169.1	0	0	0	111.9	Q97 L99 L194 E198 I202 F227 N229 I231	Q97-I200 HydrophobicContact CB-CB 4.25Å; Q97-I200 HydrophobicContact CB-CD1 4.49Å; Q97-I200 HydrophobicContact CB-CG1 4.02Å; Q97-I200 CarbonylContact O-C 3.58Å; Q97-I200 WeakPolarHBondContact O-CA 3.2Å; L99-I200 HydrophobicContact CB-CD1 3.87Å; L99-I200 HydrophobicContact CB-CG1 4.33Å; L99-I200 HydrophobicContact CD2-CD1 4.31Å; L194-I200 HydrophobicContact CD1-CD1 4.09Å; L194-I200 HydrophobicContact CD2-CD1 4Å; E198-I200 PolarHBondContact O-N 3.14Å; I200-I202 HydrophobicContact CD1-CG1 4.17Å; I200-I202 HydrophobicContact CG1-CG1 4.06Å; I200-I202 HydrophobicContact CG2-CD1 4.37Å; I200-I202 HydrophobicContact CG2-CG1 4.35Å; I200-F227 HydrophobicContact CB-CD1 4.41Å; I200-F227 HydrophobicContact CD1-CD1 4.01Å; I200-F227 HydrophobicContact CD1-CD2 4.48Å; I200-F227 HydrophobicContact CD1-CE1 3.58Å; I200-F227 HydrophobicContact CD1-CE2 4.1Å; I200-F227 HydrophobicContact CD1-CG 4.47Å; I200-F227 HydrophobicContact CD1-CZ 3.65Å; I200-F227 HydrophobicContact CG2-CB 3.86Å; I200-F227 HydrophobicContact CG2-CD1 3.77Å; I200-F227 HydrophobicContact CG2-CD2 4.23Å; I200-F227 HydrophobicContact CG2-CE1 4.44Å; I200-F227 HydrophobicContact CG2-CG 3.68Å; I200-N229 PolarHBondContact N-O 3.39Å; I200-N229 VanDerWaalsContact N-O 3.15Å; I200-I231 PolarHBondContact O-N 3.33Å
201	L	97.9	Very high	96	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.6	164	177.3	65.2	0	0	0	108.9	I84 V85 F88 Q97 V98 L99 V203 I231 L233	I84-L201 HydrophobicContact CG2-CD1 4.47Å; I84-L201 HydrophobicContact CG2-CD2 4.37Å; V85-L201 HydrophobicContact CB-CD2 4.18Å; V85-L201 HydrophobicContact CG2-CD2 3.72Å; F88-L201 HydrophobicContact CB-CB 4.35Å; F88-L201 HydrophobicContact CB-CD2 3.84Å; F88-L201 HydrophobicContact CD1-CB 3.69Å; F88-L201 HydrophobicContact CD1-CD2 4.3Å; F88-L201 HydrophobicContact CD2-CB 3.75Å; F88-L201 HydrophobicContact CE1-CB 3.84Å; F88-L201 HydrophobicContact CE2-CB 3.9Å; F88-L201 HydrophobicContact CG-CB 3.66Å; F88-L201 HydrophobicContact CG-CD2 4.06Å; F88-L201 HydrophobicContact CG-CG 4.42Å; F88-L201 HydrophobicContact CZ-CB 3.96Å; Q97-L201 PolarHBondContact O-N 2.97Å; V98-L201 CarbonylContact C-O 3.56Å; V98-L201 WeakPolarHBondContact CA-O 3.19Å; L99-L201 PolarHBondContact N-O 3.03Å; L201-V203 HydrophobicContact CD2-CG2 4.34Å; L201-V203 HydrophobicContact CG-CG2 4.16Å; L201-I231 CarbonylContact C-O 3.55Å; L201-I231 WeakPolarHBondContact CA-O 3.28Å; L201-I231 HydrophobicContact CD1-CB 4.02Å; L201-I231 HydrophobicContact CD1-CG2 3.85Å; L201-L233 HydrophobicContact CD1-CB 4.07Å
202	I	98.6	Very high	96.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.7	177.5	-55.4	165.1	0	0	0	107.5	L99 L101 I200 L223 F227 I231 L232 L233 W281	L99-I202 HydrophobicContact CB-CG1 4.34Å; L99-I202 HydrophobicContact CD2-CG1 4.32Å; L99-I202 HydrophobicContact CD2-CG2 4.41Å; L99-I202 HydrophobicContact CG-CG2 4.47Å; L99-I202 CarbonylContact O-C 3.54Å; L99-I202 VanDerWaalsContact O-CA 3.24Å; L99-I202 WeakPolarHBondContact O-CA 3.21Å; L101-I202 HydrophobicContact CD1-CG2 4.05Å; L101-I202 HydrophobicContact CG-CG2 4.4Å; I200-I202 HydrophobicContact CD1-CG1 4.17Å; I200-I202 HydrophobicContact CG1-CG1 4.06Å; I200-I202 HydrophobicContact CG2-CD1 4.37Å; I200-I202 HydrophobicContact CG2-CG1 4.35Å; I202-L223 HydrophobicContact CD1-CB 4.03Å; I202-L223 HydrophobicContact CD1-CD2 4.1Å; I202-L223 HydrophobicContact CG2-CD1 4.12Å; I202-L223 HydrophobicContact CG2-CD2 4.31Å; I202-F227 HydrophobicContact CD1-CD2 4.19Å; I202-F227 HydrophobicContact CD1-CE2 4.43Å; I202-I231 PolarHBondContact N-O 2.72Å; I202-L232 HydrophobicContact CB-CD1 4.01Å; I202-L232 HydrophobicContact CG2-CD1 3.83Å; I202-L232 CarbonylContact O-C 3.56Å; I202-L232 WeakPolarHBondContact O-CA 3.41Å; I202-L233 PolarHBondContact O-N 3.34Å; I202-W281 HydrophobicContact CD1-CH2 4.29Å
203	V	98.9	Very high	96.6	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.03	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.2	-177.8	-176	0	0	0	0	109.3	I81 V85 V98 L99 L101 L201 L233	I81-V203 HydrophobicContact CG2-CG1 3.99Å; V85-V203 HydrophobicContact CG2-CG2 4.14Å; V98-V203 HydrophobicContact CG1-CG2 4.41Å; L99-V203 PolarHBondContact O-N 3.16Å; L101-V203 PolarHBondContact N-O 3.37Å; L201-V203 HydrophobicContact CD2-CG2 4.34Å; L201-V203 HydrophobicContact CG-CG2 4.16Å; V203-L233 WeakPolarHBondContact CA-O 3.33Å; V203-L233 HydrophobicContact CG2-CD2 4.49Å
204	L	98.8	Very high	97	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	102.5	170.9	-74.1	167.3	0	0	0	107.9	L101 V207 L208 L219 L220 L232 L233 C234 Y235	L101-L204 HydrophobicContact CB-CD2 3.61Å; L101-L204 HydrophobicContact CD1-CD2 4.04Å; L101-L204 HydrophobicContact CG-CD2 4.39Å; L204-V207 HydrophobicContact CB-CB 4.49Å; L204-V207 HydrophobicContact CD2-CB 3.75Å; L204-V207 HydrophobicContact CD2-CG1 3.68Å; L204-V207 HydrophobicContact CD2-CG2 4.12Å; L204-L208 HydrophobicContact CD1-CD1 4.01Å; L204-L208 HydrophobicContact CD1-CD2 3.9Å; L204-L208 HydrophobicContact CD1-CG 3.96Å; L204-L219 HydrophobicContact CD2-CD2 4.46Å; L204-L220 HydrophobicContact CD1-CD2 4.15Å; L204-L232 HydrophobicContact CD1-CD1 3.71Å; L204-L232 HydrophobicContact CG-CD1 4.12Å; L204-L233 PolarHBondContact N-O 2.88Å; L204-C234 CarbonylContact O-C 3.47Å; L204-C234 WeakPolarHBondContact O-CA 3.48Å; L204-Y235 PolarHBondContact O-N 3.45Å
205	E	98.1	Very high	97.1	Very high	28 Å²	28	25.7 Å²	25.7	13%	0.131	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	104.5	177.1	-179.1	-170.8	160	0	0	110.1	K40 R77 I81 V207 Y235	K40-E205 IonicContact NZ-OE1 3.6Å; K40-E205 IonicContact NZ-OE2 3.35Å; R77-E205 WeakPolarHBondContact CD-OE1 3.46Å; R77-E205 HydrophobicContact CG-CG 4.21Å; R77-E205 WeakPolarHBondContact CG-OE1 3.42Å; R77-E205 IonicContact CZ-OE1 2.65Å; R77-E205 VanDerWaalsContact CZ-OE1 3.28Å; R77-E205 IonicContact NE-OE1 3.65Å; R77-E205 PolarHBondContact NE-OE1 2.75Å; R77-E205 VanDerWaalsContact NE-OE1 3.17Å; R77-E205 IonicContact NH1-OE1 3.98Å; R77-E205 PolarHBondContact NH1-OE1 3.23Å; R77-E205 VanDerWaalsContact NH1-OE1 3.12Å; I81-E205 HydrophobicContact CD1-CB 3.69Å; I81-E205 HydrophobicContact CD1-CG 3.45Å; I81-E205 VanDerWaalsContact CD1-CG 3.45Å; I81-E205 WeakPolarHBondContact CD1-OE2 3.4Å; E205-V207 WeakPolarHBondContact O-CG2 3.25Å; E205-Y235 HydrophobicContact CG-CD1 4.31Å
206	C	97.6	Very high	97.2	Very high	20 Å²	20	23 Å²	23	14%	0.135	14%	0.142	C	C	.	.	S	Bend	trans	54.6	50.5	-179.9	-59.6	0	0	0	0	112.8	M209 Y210 Y235	C206-M209 HydrophobicContact CB-SD 4.28Å; C206-Y210 WeakPolarHBondContact O-CE2 3.36Å; C206-Y235 PolarHBondContact N-O 3.24Å
207	V	98.3	Very high	97.3	Very high	13 Å²	13	23.5 Å²	23.5	8%	0.079	15%	0.146	C	C	.	.			trans	-115	-49.2	-174.3	176.7	0	0	0	0	111.4	L101 L178 L204 E205 M209 Y210 E236	L101-V207 WeakPolarHBondContact O-CG2 3.27Å; L178-V207 HydrophobicContact CD1-CG1 3.6Å; L204-V207 HydrophobicContact CB-CB 4.49Å; L204-V207 HydrophobicContact CD2-CB 3.75Å; L204-V207 HydrophobicContact CD2-CG1 3.68Å; L204-V207 HydrophobicContact CD2-CG2 4.12Å; E205-V207 WeakPolarHBondContact O-CG2 3.25Å; V207-M209 PolarHBondContact O-N 3.17Å; V207-Y210 PolarHBondContact O-N 3.46Å; V207-E236 PolarHBondContact N-OE1 3.28Å
208	L	98.3	Very high	97.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-64.3	-26.9	-173.4	-64.9	-179.7	0	0	0	111.8	L204 Y210 L211 C216 L219 L220 E236 G262 F266 L275	L204-L208 HydrophobicContact CD1-CD1 4.01Å; L204-L208 HydrophobicContact CD1-CD2 3.9Å; L204-L208 HydrophobicContact CD1-CG 3.96Å; L208-Y210 PolarHBondContact O-N 3.45Å; L208-L211 HydrophobicContact CD2-CD1 4.19Å; L208-L211 PolarHBondContact O-N 2.83Å; L208-L211 VanDerWaalsContact O-N 3.1Å; L208-C216 HydrophobicContact CD2-CB 4.48Å; L208-C216 PolarHBondContact O-SG 2.93Å; L208-L219 HydrophobicContact CD2-CD2 4.24Å; L208-L220 HydrophobicContact CD1-CD1 4.22Å; L208-L220 HydrophobicContact CD1-CD2 4.27Å; L208-E236 HydrophobicContact CB-CG 4.42Å; L208-E236 WeakPolarHBondContact CB-OE1 3.43Å; L208-E236 PolarHBondContact N-OE1 3.36Å; L208-G262 WeakPolarHBondContact O-CA 3.34Å; L208-F266 HydrophobicContact CB-CE2 3.87Å; L208-F266 HydrophobicContact CB-CZ 4.03Å; L208-F266 HydrophobicContact CD1-CE2 4.4Å; L208-F266 HydrophobicContact CD1-CZ 3.84Å; L208-L275 HydrophobicContact CD1-CD2 4.47Å
209	M	96.7	Very high	97.8	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.02	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-56.2	-27.7	172.9	59.8	176.2	-77.1	0	0	114.3	C206 V207 E236 P237 F249 M253 V260 G262 L263	C206-M209 HydrophobicContact CB-SD 4.28Å; V207-M209 PolarHBondContact O-N 3.17Å; M209-E236 WeakPolarHBondContact CG-OE2 3.45Å; M209-E236 PolarHBondContact N-OE2 3.07Å; M209-P237 HydrophobicContact SD-CG 3.7Å; M209-F249 HydrophobicContact CE-CE1 3.6Å; M209-F249 HydrophobicContact CE-CZ 3.67Å; M209-F249 HydrophobicContact SD-CZ 4.3Å; M209-M253 HydrophobicContact CE-CE 4Å; M209-V260 HydrophobicContact CE-CB 4.14Å; M209-V260 HydrophobicContact CE-CG1 3.3Å; M209-V260 CarbonylContact O-C 3.53Å; M209-V260 WeakPolarHBondContact O-CA 3.31Å; M209-G262 PolarHBondContact O-N 3.47Å; M209-L263 HydrophobicContact CB-CD2 3.65Å; M209-L263 HydrophobicContact CB-CG 4.23Å
210	Y	96.4	Very high	98	Very high	35 Å²	35	21.4 Å²	21.4	14%	0.137	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-85.1	-14.4	179.4	-58.5	-61.3	0	0	0	113.7	I29 T32 C206 V207 L208 M253 I258 V260	I29-Y210 HydrophobicContact CG1-CD1 4.11Å; I29-Y210 HydrophobicContact CG1-CG 4.44Å; I29-Y210 HydrophobicContact CG2-CD1 4.48Å; I29-Y210 HydrophobicContact CG2-CD2 4.21Å; I29-Y210 HydrophobicContact CG2-CE2 4.3Å; I29-Y210 HydrophobicContact CG2-CG 4.29Å; T32-Y210 PolarHBondContact OG1-OH 3.28Å; T32-Y210 VanDerWaalsContact OG1-OH 3.14Å; C206-Y210 WeakPolarHBondContact O-CE2 3.36Å; V207-Y210 PolarHBondContact O-N 3.46Å; L208-Y210 PolarHBondContact O-N 3.45Å; Y210-M253 HydrophobicContact CE1-CE 3.99Å; Y210-I258 HydrophobicContact CD1-CG2 4.05Å; Y210-I258 HydrophobicContact CE1-CG2 3.68Å; Y210-V260 HydrophobicContact CD1-CG1 4.19Å; Y210-V260 HydrophobicContact CE1-CG1 4.17Å
211	L	97.3	Very high	98	Very high	15 Å²	15	22.5 Å²	22.5	8%	0.079	14%	0.137	C	C	.	.	S	Bend	trans	-97.3	141.8	-178.2	-60.1	-177.3	0	0	0	110.4	R179 L208 E215 L219 G262	R179-L211 HydrophobicContact CG-CD2 3.83Å; L208-L211 HydrophobicContact CD2-CD1 4.19Å; L208-L211 PolarHBondContact O-N 2.83Å; L208-L211 VanDerWaalsContact O-N 3.1Å; L211-E215 HydrophobicContact CB-CB 3.92Å; L211-E215 HydrophobicContact CD2-CB 4.42Å; L211-L219 HydrophobicContact CD1-CD2 3.82Å; L211-G262 WeakPolarHBondContact O-CA 3.13Å; L211-G262 PolarHBondContact O-N 3.39Å
212	S	96.8	Very high	98	Very high	39 Å²	39	23.9 Å²	23.9	27%	0.273	14%	0.142	S	C	.	.			trans	-61.4	162.8	170	67.9	0	0	0	0	111.3	G214 E215 C216	S212-G214 PolarHBondContact O-N 2.89Å; S212-E215 WeakPolarHBondContact CB-OE2 3.39Å; S212-E215 PolarHBondContact N-OE2 2.88Å; S212-E215 PolarHBondContact O-N 3.23Å; S212-E215 VanDerWaalsContact O-N 3.1Å; S212-E215 VanDerWaalsContact OG-CD 3.22Å; S212-E215 WeakPolarHBondContact OG-CG 3.38Å; S212-E215 PolarHBondContact OG-N 3.02Å; S212-E215 PolarHBondContact OG-OE2 2.87Å; S212-C216 WeakPolarHBondContact O-CB 3.42Å; S212-C216 PolarHBondContact O-N 3.15Å; S212-C216 PolarHBondContact O-SG 3.42Å
213	S	97.3	Very high	98	Very high	39 Å²	39	23.9 Å²	23.9	27%	0.273	14%	0.142	S	C	.	.	H	α-helix	trans	-56.1	-36	176.7	-63.7	0	0	0	0	113.5	Q217 Q264 N265	S213-Q217 VanDerWaalsContact O-CB 3.27Å; S213-Q217 WeakPolarHBondContact O-CB 3.49Å; S213-Q217 PolarHBondContact O-N 3.07Å; S213-Q264 WeakPolarHBondContact OG-CG 3.43Å; S213-Q264 PolarHBondContact OG-NE2 3.22Å; S213-Q264 VanDerWaalsContact OG-NE2 3.08Å; S213-N265 WeakPolarHBondContact CA-ND2 3.4Å; S213-N265 WeakPolarHBondContact CB-OD1 3.46Å; S213-N265 VanDerWaalsContact OG-CG 3.27Å; S213-N265 PolarHBondContact OG-ND2 3.37Å; S213-N265 VanDerWaalsContact OG-ND2 3.14Å; S213-N265 PolarHBondContact OG-OD1 2.91Å
214	G	98	Very high	97.9	Very high	51 Å²	51	23.6 Å²	23.6	53%	0.526	14%	0.14	S	C	.	.	H	α-helix	trans	-66.6	-43.8	175.9	0	0	0	0	0	112.5	S212 Q217 N218	S212-G214 PolarHBondContact O-N 2.89Å; G214-Q217 PolarHBondContact O-N 2.64Å; G214-N218 WeakPolarHBondContact O-CB 3.14Å; G214-N218 PolarHBondContact O-N 3.25Å
215	E	98.3	Very high	97.9	Very high	58 Å²	58	29 Å²	29	27%	0.271	17%	0.169	S	C	.	.	H	α-helix	trans	-68.1	-42.5	178.1	-69.9	159.3	146.9	0	0	111.8	R179 L211 S212 Q217 N218 L219	R179-E215 WeakPolarHBondContact CD-OE1 3.35Å; R179-E215 HydrophobicContact CG-CG 4.16Å; R179-E215 WeakPolarHBondContact CG-OE1 3.49Å; L211-E215 HydrophobicContact CB-CB 3.92Å; L211-E215 HydrophobicContact CD2-CB 4.42Å; S212-E215 WeakPolarHBondContact CB-OE2 3.39Å; S212-E215 PolarHBondContact N-OE2 2.88Å; S212-E215 PolarHBondContact O-N 3.23Å; S212-E215 VanDerWaalsContact O-N 3.1Å; S212-E215 VanDerWaalsContact OG-CD 3.22Å; S212-E215 WeakPolarHBondContact OG-CG 3.38Å; S212-E215 PolarHBondContact OG-N 3.02Å; S212-E215 PolarHBondContact OG-OE2 2.87Å; E215-Q217 VanDerWaalsContact C-N 3.35Å; E215-Q217 PolarHBondContact O-N 3.35Å; E215-N218 PolarHBondContact O-N 3.07Å; E215-L219 WeakPolarHBondContact O-CB 3.17Å; E215-L219 PolarHBondContact O-N 3.48Å
216	C	98.5	Very high	97.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-54.7	-51	170.8	-76.7	0	0	0	0	111.3	L208 S212 N218 L219 L220 L275	L208-C216 HydrophobicContact CD2-CB 4.48Å; L208-C216 PolarHBondContact O-SG 2.93Å; S212-C216 WeakPolarHBondContact O-CB 3.42Å; S212-C216 PolarHBondContact O-N 3.15Å; S212-C216 PolarHBondContact O-SG 3.42Å; C216-N218 VanDerWaalsContact C-N 3.33Å; C216-N218 PolarHBondContact O-N 3.05Å; C216-L219 PolarHBondContact O-N 3.5Å; C216-L220 VanDerWaalsContact O-CB 3.29Å; C216-L220 WeakPolarHBondContact O-CB 3.03Å; C216-L220 WeakPolarHBondContact O-CD1 3.41Å; C216-L220 WeakPolarHBondContact O-CG 3.29Å; C216-L220 PolarHBondContact O-N 2.95Å; C216-L275 HydrophobicContact CB-CD1 4.29Å
217	Q	98.1	Very high	97.7	Very high	64 Å²	64	27.9 Å²	27.9	30%	0.299	17%	0.166	S	C	.	.	H	α-helix	trans	-61.8	-42.6	-179.6	-177.1	66	25	0	0	111.3	S213 G214 E215 A221 N278 A279	S213-Q217 VanDerWaalsContact O-CB 3.27Å; S213-Q217 WeakPolarHBondContact O-CB 3.49Å; S213-Q217 PolarHBondContact O-N 3.07Å; G214-Q217 PolarHBondContact O-N 2.64Å; E215-Q217 VanDerWaalsContact C-N 3.35Å; E215-Q217 PolarHBondContact O-N 3.35Å; Q217-A221 WeakPolarHBondContact O-CB 3.44Å; Q217-A221 PolarHBondContact O-N 3.34Å; Q217-N278 VanDerWaalsContact NE2-C 3.35Å; Q217-N278 PolarHBondContact NE2-O 3.06Å; Q217-A279 VanDerWaalsContact NE2-CA 3.27Å
218	N	98.5	Very high	97.4	Very high	77 Å²	77	30 Å²	30	41%	0.412	18%	0.181	S	C	.	.	H	α-helix	trans	-62.8	-49.7	178.2	-173	47.1	0	0	0	111.8	V181 G214 E215 C216 A221 Y222	V181-N218 WeakPolarHBondContact CG2-ND2 3.13Å; G214-N218 WeakPolarHBondContact O-CB 3.14Å; G214-N218 PolarHBondContact O-N 3.25Å; E215-N218 PolarHBondContact O-N 3.07Å; C216-N218 VanDerWaalsContact C-N 3.33Å; C216-N218 PolarHBondContact O-N 3.05Å; N218-A221 PolarHBondContact O-N 3.46Å; N218-Y222 WeakPolarHBondContact O-CB 3.03Å; N218-Y222 PolarHBondContact O-N 3.46Å
219	L	98.8	Very high	97.1	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-61.3	-50.2	178.5	178	62.2	0	0	0	111.5	L101 L178 V181 L184 L204 L208 L211 E215 C216 A221 Y222 L223	L101-L219 HydrophobicContact CD1-CD1 4.31Å; L178-L219 HydrophobicContact CB-CD2 4.2Å; L178-L219 HydrophobicContact CD1-CD2 4.45Å; V181-L219 HydrophobicContact CG1-CB 4.42Å; V181-L219 HydrophobicContact CG1-CD1 4.19Å; L184-L219 HydrophobicContact CD2-CD1 4.4Å; L204-L219 HydrophobicContact CD2-CD2 4.46Å; L208-L219 HydrophobicContact CD2-CD2 4.24Å; L211-L219 HydrophobicContact CD1-CD2 3.82Å; E215-L219 WeakPolarHBondContact O-CB 3.17Å; E215-L219 PolarHBondContact O-N 3.48Å; C216-L219 PolarHBondContact O-N 3.5Å; L219-A221 VanDerWaalsContact C-N 3.34Å; L219-A221 PolarHBondContact O-N 3.34Å; L219-Y222 HydrophobicContact CD1-CD1 4.48Å; L219-Y222 WeakPolarHBondContact O-CB 3.38Å; L219-Y222 PolarHBondContact O-N 3.19Å; L219-L223 HydrophobicContact CD1-CD1 3.97Å; L219-L223 HydrophobicContact CD1-CG 4.17Å; L219-L223 HydrophobicContact CG-CD1 3.89Å; L219-L223 HydrophobicContact CG-CG 4.49Å; L219-L223 VanDerWaalsContact O-CG 3.23Å; L219-L223 WeakPolarHBondContact O-CG 3.35Å; L219-L223 PolarHBondContact O-N 3.14Å
220	L	98.8	Very high	97.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-39.8	-178.9	-69.1	169.1	0	0	0	112.1	L204 L208 C216 L223 V224 L232 L275 L276 A279	L204-L220 HydrophobicContact CD1-CD2 4.15Å; L208-L220 HydrophobicContact CD1-CD1 4.22Å; L208-L220 HydrophobicContact CD1-CD2 4.27Å; C216-L220 VanDerWaalsContact O-CB 3.29Å; C216-L220 WeakPolarHBondContact O-CB 3.03Å; C216-L220 WeakPolarHBondContact O-CD1 3.41Å; C216-L220 WeakPolarHBondContact O-CG 3.29Å; C216-L220 PolarHBondContact O-N 2.95Å; L220-L223 PolarHBondContact O-N 3.31Å; L220-V224 WeakPolarHBondContact O-CG1 3.26Å; L220-V224 PolarHBondContact O-N 2.92Å; L220-V224 VanDerWaalsContact O-N 3.11Å; L220-L232 HydrophobicContact CD2-CD2 3.51Å; L220-L275 HydrophobicContact CD1-CD1 4.08Å; L220-L275 HydrophobicContact CD1-CD2 3.86Å; L220-L275 HydrophobicContact CD1-CG 3.72Å; L220-L276 HydrophobicContact CD1-CD2 4.17Å; L220-L276 HydrophobicContact CD2-CD2 4.05Å; L220-A279 HydrophobicContact CB-CB 3.5Å; L220-A279 HydrophobicContact CD1-CB 4.47Å
221	A	98.5	Very high	97.1	Very high	24 Å²	24	30 Å²	30	20%	0.198	18%	0.184	C	C	.	.	H	α-helix	trans	-67.5	-39.1	176.5	0	0	0	0	0	111.9	Q217 N218 L219 V224 N225 A279	Q217-A221 WeakPolarHBondContact O-CB 3.44Å; Q217-A221 PolarHBondContact O-N 3.34Å; N218-A221 PolarHBondContact O-N 3.46Å; L219-A221 VanDerWaalsContact C-N 3.34Å; L219-A221 PolarHBondContact O-N 3.34Å; A221-V224 WeakPolarHBondContact O-CG1 3.39Å; A221-N225 VanDerWaalsContact O-CB 3.27Å; A221-N225 WeakPolarHBondContact O-CB 3.42Å; A221-N225 VanDerWaalsContact O-CG 3.25Å; A221-N225 PolarHBondContact O-N 3.46Å; A221-N225 VanDerWaalsContact O-N 3.16Å; A221-N225 PolarHBondContact O-ND2 3.36Å; A221-A279 WeakPolarHBondContact CA-O 3.04Å
222	Y	98.5	Very high	97.1	Very high	28 Å²	28	29.3 Å²	29.3	11%	0.11	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-53.4	172.3	159.8	-110.9	0	0	0	111.1	V181 L184 N185 F188 N218 L219 V224 N225 A226	V181-Y222 HydrophobicContact CB-CD1 4.08Å; V181-Y222 HydrophobicContact CB-CG 3.94Å; V181-Y222 HydrophobicContact CG1-CD1 4.2Å; V181-Y222 HydrophobicContact CG1-CG 4.28Å; L184-Y222 HydrophobicContact CD2-CE1 3.88Å; L184-Y222 HydrophobicContact CG-CE1 4.28Å; N185-Y222 VanDerWaalsContact CA-OH 3.26Å; N185-Y222 WeakPolarHBondContact CA-OH 3.27Å; N185-Y222 HydrophobicContact CB-CE2 3.63Å; F188-Y222 WeakPolarHBondContact CD2-OH 3.46Å; N218-Y222 WeakPolarHBondContact O-CB 3.03Å; N218-Y222 PolarHBondContact O-N 3.46Å; L219-Y222 HydrophobicContact CD1-CD1 4.48Å; L219-Y222 WeakPolarHBondContact O-CB 3.38Å; L219-Y222 PolarHBondContact O-N 3.19Å; Y222-V224 VanDerWaalsContact C-N 3.33Å; Y222-V224 PolarHBondContact O-N 3.33Å; Y222-N225 PolarHBondContact O-N 3.06Å; Y222-A226 HydrophobicContact CD2-CB 4.28Å; Y222-A226 HydrophobicContact CE2-CB 3.82Å; Y222-A226 WeakPolarHBondContact O-CB 3.29Å; Y222-A226 PolarHBondContact O-N 2.88Å
223	L	98.2	Very high	97.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.5	-40.7	-175.8	-68.9	167.7	0	0	0	112.6	L99 L101 I202 L219 L220 N225 F227 W281	L99-L223 HydrophobicContact CD2-CD2 4.25Å; L101-L223 HydrophobicContact CD1-CD1 3.69Å; L101-L223 HydrophobicContact CD1-CD2 3.9Å; L101-L223 HydrophobicContact CD1-CG 4.39Å; I202-L223 HydrophobicContact CD1-CB 4.03Å; I202-L223 HydrophobicContact CD1-CD2 4.1Å; I202-L223 HydrophobicContact CG2-CD1 4.12Å; I202-L223 HydrophobicContact CG2-CD2 4.31Å; L219-L223 HydrophobicContact CD1-CD1 3.97Å; L219-L223 HydrophobicContact CD1-CG 4.17Å; L219-L223 HydrophobicContact CG-CD1 3.89Å; L219-L223 HydrophobicContact CG-CG 4.49Å; L219-L223 VanDerWaalsContact O-CG 3.23Å; L219-L223 WeakPolarHBondContact O-CG 3.35Å; L219-L223 PolarHBondContact O-N 3.14Å; L220-L223 PolarHBondContact O-N 3.31Å; L223-N225 VanDerWaalsContact C-N 3.35Å; L223-F227 WeakPolarHBondContact O-CD2 3.4Å; L223-W281 HydrophobicContact CB-CZ2 4.27Å
224	V	97	Very high	97.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-74.8	-25.9	178.4	76.1	0	0	0	0	112.7	L220 A221 Y222 A279 W281 K331	L220-V224 WeakPolarHBondContact O-CG1 3.26Å; L220-V224 PolarHBondContact O-N 2.92Å; L220-V224 VanDerWaalsContact O-N 3.11Å; A221-V224 WeakPolarHBondContact O-CG1 3.39Å; Y222-V224 VanDerWaalsContact C-N 3.33Å; Y222-V224 PolarHBondContact O-N 3.33Å; V224-A279 VanDerWaalsContact CG1-O 3.26Å; V224-A279 WeakPolarHBondContact CG1-O 3.36Å; V224-W281 HydrophobicContact CB-CD2 3.99Å; V224-W281 HydrophobicContact CB-CE3 4.43Å; V224-W281 HydrophobicContact CB-CG 4.36Å; V224-W281 HydrophobicContact CB-CH2 4.39Å; V224-W281 HydrophobicContact CB-CZ2 3.94Å; V224-W281 HydrophobicContact CG2-CD2 3.74Å; V224-W281 HydrophobicContact CG2-CE3 3.87Å; V224-W281 HydrophobicContact CG2-CG 4.07Å; V224-W281 HydrophobicContact CG2-CZ2 4.4Å; V224-W281 HydrophobicContact CG2-CZ3 4.27Å; V224-K331 HydrophobicContact CG2-CB 3.75Å; V224-K331 HydrophobicContact CG2-CD 3.53Å; V224-K331 HydrophobicContact CG2-CG 4.29Å; V224-K331 VanDerWaalsContact O-CD 3.28Å; V224-K331 WeakPolarHBondContact O-CD 3.01Å; V224-K331 PolarHBondContact O-NZ 3.49Å
225	N	97.2	Very high	97.3	Very high	112 Å²	112	23.5 Å²	23.5	60%	0.599	13%	0.131	S	C	*	.	H	α-helix	trans	-86.7	-31.2	179.8	-74	-40.1	0	0	0	113.5	A221 Y222 L223	A221-N225 VanDerWaalsContact O-CB 3.27Å; A221-N225 WeakPolarHBondContact O-CB 3.42Å; A221-N225 VanDerWaalsContact O-CG 3.25Å; A221-N225 PolarHBondContact O-N 3.46Å; A221-N225 VanDerWaalsContact O-N 3.16Å; A221-N225 PolarHBondContact O-ND2 3.36Å; Y222-N225 PolarHBondContact O-N 3.06Å; L223-N225 VanDerWaalsContact C-N 3.35Å
226	A	96.7	Very high	97.2	Very high	25 Å²	25	20.7 Å²	20.7	21%	0.207	12%	0.118	C	C	.	.	H	α-helix	trans	-64.7	-39.2	179.6	0	0	0	0	0	112.3	F196 Y222	F196-A226 HydrophobicContact CD1-CB 4.07Å; F196-A226 VanDerWaalsContact CD1-O 3.3Å; F196-A226 WeakPolarHBondContact CD1-O 3.04Å; F196-A226 HydrophobicContact CE1-CB 4.03Å; Y222-A226 HydrophobicContact CD2-CB 4.28Å; Y222-A226 HydrophobicContact CE2-CB 3.82Å; Y222-A226 WeakPolarHBondContact O-CB 3.29Å; Y222-A226 PolarHBondContact O-N 2.88Å
227	F	95.3	Very high	97.2	Very high	1 Å²	1	20.7 Å²	20.7	0%	0.004	12%	0.118	C	C	.	.			trans	-109.8	136.6	-172	-60.6	-83.5	0	0	0	112.1	L194 F196 I200 I202 L223	L194-F227 HydrophobicContact CB-CE1 4.25Å; L194-F227 HydrophobicContact CB-CZ 4.5Å; L194-F227 HydrophobicContact CD1-CE1 4.29Å; L194-F227 HydrophobicContact CD1-CZ 3.82Å; F196-F227 HydrophobicContact CB-CD1 4.41Å; F196-F227 AromaticContact CD1-CD1 4Å; F196-F227 HydrophobicContact CD1-CD1 4Å; F196-F227 AromaticContact CD1-CE1 3.67Å; F196-F227 HydrophobicContact CD1-CE1 3.67Å; F196-F227 AromaticContact CD1-CZ 3.95Å; F196-F227 HydrophobicContact CD1-CZ 3.95Å; F196-F227 HydrophobicContact CE1-CE1 4.12Å; F196-F227 AromaticContact CE1-CZ 3.96Å; F196-F227 HydrophobicContact CE1-CZ 3.96Å; F196-F227 HydrophobicContact CG-CD1 4.47Å; F196-F227 HydrophobicContact CG-CE1 4.22Å; I200-F227 HydrophobicContact CB-CD1 4.41Å; I200-F227 HydrophobicContact CD1-CD1 4.01Å; I200-F227 HydrophobicContact CD1-CD2 4.48Å; I200-F227 HydrophobicContact CD1-CE1 3.58Å; I200-F227 HydrophobicContact CD1-CE2 4.1Å; I200-F227 HydrophobicContact CD1-CG 4.47Å; I200-F227 HydrophobicContact CD1-CZ 3.65Å; I200-F227 HydrophobicContact CG2-CB 3.86Å; I200-F227 HydrophobicContact CG2-CD1 3.77Å; I200-F227 HydrophobicContact CG2-CD2 4.23Å; I200-F227 HydrophobicContact CG2-CE1 4.44Å; I200-F227 HydrophobicContact CG2-CG 3.68Å; I202-F227 HydrophobicContact CD1-CD2 4.19Å; I202-F227 HydrophobicContact CD1-CE2 4.43Å; L223-F227 WeakPolarHBondContact O-CD2 3.4Å
228	S	92.1	Very high	97.1	Very high	57 Å²	57	17.7 Å²	17.7	40%	0.399	10%	0.103	S	C	.	.	S	Bend	trans	-76.9	-26.4	178.7	60.5	0	0	0	0	113.7	F196 A197	F196-S228 PolarHBondContact O-N 2.98Å; A197-S228 PolarHBondContact O-OG 3.47Å
229	N	93.2	Very high	96.9	Very high	27 Å²	27	14.1 Å²	14.1	14%	0.144	9%	0.085	C	C	.	.	S	Bend	trans	-136.1	83.7	-177.4	-64.3	-67.6	0	0	0	109.8	A197 I200 R333 Y334	A197-N229 PolarHBondContact O-ND2 2.8Å; I200-N229 PolarHBondContact N-O 3.39Å; I200-N229 VanDerWaalsContact N-O 3.15Å; N229-R333 PolarHBondContact OD1-N 2.96Å; N229-Y334 HydrophobicContact CB-CD2 3.9Å; N229-Y334 HydrophobicContact CB-CE2 3.95Å; N229-Y334 WeakPolarHBondContact OD1-CE2 3.36Å
230	S	95.9	Very high	96.6	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.007	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.9	-174.7	54.5	0	0	0	0	112.6	W281 S330 K331	S230-W281 WeakPolarHBondContact OG-CZ3 3.38Å; S230-S330 WeakPolarHBondContact O-CA 3.05Å; S230-K331 PolarHBondContact N-O 3.45Å; S230-K331 VanDerWaalsContact N-O 3.16Å; S230-K331 PolarHBondContact O-N 3.22Å
231	I	97	Very high	96.1	Very high	11 Å²	11	18.6 Å²	18.6	6%	0.056	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.8	167.6	-56	175.1	0	0	0	106.9	F88 I200 L201 I202 I328 A329 L338	F88-I231 HydrophobicContact CD2-CD1 4.28Å; I200-I231 PolarHBondContact O-N 3.33Å; L201-I231 CarbonylContact C-O 3.55Å; L201-I231 WeakPolarHBondContact CA-O 3.28Å; L201-I231 HydrophobicContact CD1-CB 4.02Å; L201-I231 HydrophobicContact CD1-CG2 3.85Å; I202-I231 PolarHBondContact N-O 2.72Å; I231-I328 HydrophobicContact CG2-CG2 3.75Å; I231-A329 CarbonylContact C-O 3.55Å; I231-A329 WeakPolarHBondContact CA-O 3.43Å; I231-A329 WeakPolarHBondContact CG2-O 3.5Å; I231-L338 HydrophobicContact CD1-CD1 3.56Å; I231-L338 HydrophobicContact CD1-CG 4.1Å; I231-L338 HydrophobicContact CG2-CD1 4.1Å
232	L	97.7	Very high	95.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.3	169.3	176.2	72.4	0	0	0	109.3	I202 L204 L220 C234 L276 W281 I328 A329	I202-L232 HydrophobicContact CB-CD1 4.01Å; I202-L232 HydrophobicContact CG2-CD1 3.83Å; I202-L232 CarbonylContact O-C 3.56Å; I202-L232 WeakPolarHBondContact O-CA 3.41Å; L204-L232 HydrophobicContact CD1-CD1 3.71Å; L204-L232 HydrophobicContact CG-CD1 4.12Å; L220-L232 HydrophobicContact CD2-CD2 3.51Å; L232-C234 HydrophobicContact CD2-CB 4.48Å; L232-C234 HydrophobicContact CG-CB 4.5Å; L232-L276 HydrophobicContact CD2-CD2 3.55Å; L232-W281 HydrophobicContact CB-CD2 4.43Å; L232-W281 HydrophobicContact CB-CE3 4.31Å; L232-W281 HydrophobicContact CB-CH2 3.44Å; L232-W281 VanDerWaalsContact CB-CH2 3.44Å; L232-W281 HydrophobicContact CB-CZ2 3.57Å; L232-W281 HydrophobicContact CB-CZ3 3.82Å; L232-W281 HydrophobicContact CD2-CZ2 4.04Å; L232-W281 HydrophobicContact CG-CZ2 4.28Å; L232-I328 CarbonylContact O-C 3.59Å; L232-I328 VanDerWaalsContact O-CA 3.25Å; L232-I328 WeakPolarHBondContact O-CA 3.48Å; L232-A329 HydrophobicContact CB-CB 4.26Å; L232-A329 PolarHBondContact N-O 2.63Å; L232-A329 PolarHBondContact O-N 2.76Å
233	L	98	Very high	95	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.9	164.1	173.6	65.5	0	0	0	108.5	I81 I84 L201 I202 V203 L204 F326 I328 F340	I81-L233 HydrophobicContact CB-CD2 4.33Å; I81-L233 HydrophobicContact CG1-CD2 4.25Å; I81-L233 HydrophobicContact CG2-CD2 4.11Å; I84-L233 HydrophobicContact CB-CD1 4.44Å; I84-L233 HydrophobicContact CB-CD2 3.74Å; I84-L233 HydrophobicContact CG1-CD1 4.23Å; I84-L233 HydrophobicContact CG1-CD2 4.29Å; I84-L233 HydrophobicContact CG2-CB 4.45Å; I84-L233 HydrophobicContact CG2-CD1 4.28Å; I84-L233 HydrophobicContact CG2-CD2 3.82Å; I84-L233 HydrophobicContact CG2-CG 4.42Å; L201-L233 HydrophobicContact CD1-CB 4.07Å; I202-L233 PolarHBondContact O-N 3.34Å; V203-L233 WeakPolarHBondContact CA-O 3.33Å; V203-L233 HydrophobicContact CG2-CD2 4.49Å; L204-L233 PolarHBondContact N-O 2.88Å; L233-F326 HydrophobicContact CD1-CD1 4.4Å; L233-I328 HydrophobicContact CD1-CD1 4.4Å; L233-I328 HydrophobicContact CD1-CG1 3.83Å; L233-F340 HydrophobicContact CD1-CZ 4.4Å
234	C	97.8	Very high	94.6	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.8	179.6	178.2	0	0	0	0	109.4	L204 L232 E236 F326 A327	L204-C234 CarbonylContact O-C 3.47Å; L204-C234 WeakPolarHBondContact O-CA 3.48Å; L232-C234 HydrophobicContact CD2-CB 4.48Å; L232-C234 HydrophobicContact CG-CB 4.5Å; C234-E236 WeakPolarHBondContact SG-CG 3.39Å; C234-F326 CarbonylContact O-C 3.5Å; C234-F326 WeakPolarHBondContact O-CA 3.45Å; C234-A327 HydrophobicContact CB-CB 4.34Å; C234-A327 PolarHBondContact N-O 2.91Å; C234-A327 PolarHBondContact O-N 3.11Å
235	Y	98.5	Very high	94.3	Very high	5 Å²	5	29.5 Å²	29.5	2%	0.02	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	114.9	171.7	177.8	-93.6	0	0	0	109.5	R77 L204 E205 C206 A289 Y324 I325 F326	R77-Y235 HydrophobicContact CB-CE1 3.87Å; R77-Y235 HydrophobicContact CB-CE2 4.37Å; R77-Y235 HydrophobicContact CG-CD1 3.72Å; R77-Y235 HydrophobicContact CG-CE1 3.44Å; R77-Y235 VanDerWaalsContact CG-CE1 3.44Å; R77-Y235 HydrophobicContact CG-CG 4.37Å; L204-Y235 PolarHBondContact O-N 3.45Å; E205-Y235 HydrophobicContact CG-CD1 4.31Å; C206-Y235 PolarHBondContact N-O 3.24Å; Y235-A289 HydrophobicContact CE2-CB 4.26Å; Y235-Y324 HydrophobicContact CD1-CD1 4.11Å; Y235-Y324 AromaticContact CE1-CD1 3.27Å; Y235-Y324 HydrophobicContact CE1-CD1 3.27Å; Y235-Y324 AromaticContact CE1-CE1 3.67Å; Y235-Y324 HydrophobicContact CE1-CE1 3.67Å; Y235-Y324 HydrophobicContact CE1-CG 4.12Å; Y235-Y324 HydrophobicContact CE2-CD1 4.06Å; Y235-Y324 HydrophobicContact CE2-CG 4.27Å; Y235-Y324 AromaticContact CZ-CD1 3.27Å; Y235-Y324 AromaticContact CZ-CG 3.64Å; Y235-Y324 WeakPolarHBondContact OH-CB 3.32Å; Y235-Y324 VanDerWaalsContact OH-CD1 3.28Å; Y235-Y324 WeakPolarHBondContact OH-CD1 3.47Å; Y235-Y324 VanDerWaalsContact OH-CG 3.24Å; Y235-I325 VanDerWaalsContact CA-O 3.28Å; Y235-I325 WeakPolarHBondContact CA-O 3.21Å; Y235-F326 AromaticContact CD2-CD1 3.61Å; Y235-F326 HydrophobicContact CD2-CD1 3.61Å; Y235-F326 AromaticContact CD2-CD2 3.89Å; Y235-F326 HydrophobicContact CD2-CD2 3.89Å; Y235-F326 AromaticContact CD2-CE1 3.37Å; Y235-F326 HydrophobicContact CD2-CE1 3.37Å; Y235-F326 AromaticContact CD2-CE2 3.67Å; Y235-F326 HydrophobicContact CD2-CE2 3.67Å; Y235-F326 AromaticContact CD2-CG 3.87Å; Y235-F326 HydrophobicContact CD2-CG 3.87Å; Y235-F326 AromaticContact CD2-CZ 3.41Å; Y235-F326 HydrophobicContact CD2-CZ 3.41Å; Y235-F326 VanDerWaalsContact CD2-CZ 3.41Å; Y235-F326 HydrophobicContact CE2-CD1 4.45Å; Y235-F326 HydrophobicContact CE2-CD2 4.08Å; Y235-F326 AromaticContact CE2-CE1 3.97Å; Y235-F326 HydrophobicContact CE2-CE1 3.97Å; Y235-F326 AromaticContact CE2-CE2 3.54Å; Y235-F326 HydrophobicContact CE2-CE2 3.54Å; Y235-F326 AromaticContact CE2-CZ 3.48Å; Y235-F326 HydrophobicContact CE2-CZ 3.48Å; Y235-F326 VanDerWaalsContact CE2-CZ 3.48Å; Y235-F326 HydrophobicContact CG-CD1 4.37Å; Y235-F326 HydrophobicContact CG-CE1 4.14Å; Y235-F326 HydrophobicContact CG-CZ 4.46Å
236	E	97.9	Very high	94	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	154.6	-173.1	-67.3	-70.2	164.7	0	0	111.6	V207 L208 M209 C234 F266 Y324 I325	V207-E236 PolarHBondContact N-OE1 3.28Å; L208-E236 HydrophobicContact CB-CG 4.42Å; L208-E236 WeakPolarHBondContact CB-OE1 3.43Å; L208-E236 PolarHBondContact N-OE1 3.36Å; M209-E236 WeakPolarHBondContact CG-OE2 3.45Å; M209-E236 PolarHBondContact N-OE2 3.07Å; C234-E236 WeakPolarHBondContact SG-CG 3.39Å; E236-F266 HydrophobicContact CB-CD1 3.62Å; E236-F266 HydrophobicContact CB-CE1 3.55Å; E236-F266 HydrophobicContact CB-CE2 4.47Å; E236-F266 HydrophobicContact CB-CG 4.18Å; E236-F266 HydrophobicContact CB-CZ 4.02Å; E236-F266 HydrophobicContact CG-CD1 4.15Å; E236-F266 HydrophobicContact CG-CE1 3.57Å; E236-F266 HydrophobicContact CG-CE2 4.16Å; E236-F266 HydrophobicContact CG-CZ 3.6Å; E236-Y324 VanDerWaalsContact C-CD1 3.49Å; E236-Y324 WeakPolarHBondContact O-CA 3.3Å; E236-Y324 WeakPolarHBondContact O-CD1 3.48Å; E236-I325 PolarHBondContact N-O 3.04Å; E236-I325 VanDerWaalsContact N-O 3.16Å; E236-I325 PolarHBondContact O-N 2.82Å
237	P	97	Very high	93.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	135.5	162.2	-12.1	25.3	0	0	0	109.7	M209 F249 L263 F266 H323 Y324	M209-P237 HydrophobicContact SD-CG 3.7Å; P237-F249 HydrophobicContact CB-CE1 4.32Å; P237-F249 HydrophobicContact CB-CE2 4.44Å; P237-F249 HydrophobicContact CB-CZ 4.17Å; P237-F249 HydrophobicContact CG-CE1 4.05Å; P237-F249 HydrophobicContact CG-CE2 4.22Å; P237-F249 HydrophobicContact CG-CZ 3.67Å; P237-L263 HydrophobicContact CB-CD2 4.01Å; P237-L263 HydrophobicContact CG-CD2 4.14Å; P237-F266 VanDerWaalsContact O-CB 3.24Å; P237-F266 WeakPolarHBondContact O-CB 3.26Å; P237-H323 CarbonylContact C-O 3.28Å; P237-H323 WeakPolarHBondContact CA-O 3.35Å; P237-Y324 HydrophobicContact CB-CE1 4.02Å; P237-Y324 HydrophobicContact CG-CD1 4.45Å; P237-Y324 HydrophobicContact CG-CE1 3.64Å
238	A	96	Very high	93.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	20%	0.195	C	C	.	.			trans	-145.7	133.6	-177.7	0	0	0	0	0	112.8	F266 R288 H323 I325	A238-F266 CarbonylContact C-O 3.57Å; A238-F266 WeakPolarHBondContact CA-O 3.41Å; A238-F266 HydrophobicContact CB-CB 4.16Å; A238-R288 PolarHBondContact O-NH1 3.5Å; A238-H323 PolarHBondContact N-O 3.13Å; A238-H323 CarbonylContact O-C 3.35Å; A238-H323 VanDerWaalsContact O-CA 3.26Å; A238-H323 WeakPolarHBondContact O-CA 3.41Å; A238-H323 PolarHBondContact O-CD2 3.48Å; A238-I325 HydrophobicContact CB-CB 3.94Å; A238-I325 HydrophobicContact CB-CG2 3.69Å
239	G	94.6	Very high	93.7	Very high	3 Å²	3	28.3 Å²	28.3	3%	0.031	18%	0.178	C	C	.	.			trans	-72.6	160.3	177.4	0	0	0	0	0	112.5	M246 F266 K267 D268 R288	G239-M246 PolarHBondContact N-SD 2.93Å; G239-F266 PolarHBondContact N-O 3.35Å; G239-K267 CarbonylContact C-O 3.45Å; G239-K267 WeakPolarHBondContact CA-O 3.49Å; G239-D268 WeakPolarHBondContact O-CA 3.49Å; G239-R288 PolarHBondContact O-NH1 3.4Å; G239-R288 PolarHBondContact O-NH2 2.95Å
240	T	92.1	Very high	93.7	Very high	30 Å²	30	30.7 Å²	30.7	18%	0.184	19%	0.188	C	C	.	.			trans	-92.9	-3.1	171.5	61.6	0	0	0	0	112.4	S242 D243 Q322 H323	T240-S242 PolarHBondContact O-N 3.42Å; T240-S242 PolarHBondContact OG1-N 3.25Å; T240-S242 PolarHBondContact OG1-OG 3.05Å; T240-D243 PolarHBondContact OG1-OD2 3.44Å; T240-Q322 HydrophobicContact CG2-CG 3.97Å; T240-H323 WeakPolarHBondContact CG2-NE2 3.46Å
241	G	88.4	Confident	93.6	Very high	64 Å²	64	33.9 Å²	33.9	66%	0.66	21%	0.21	S	C	*	.	S	Bend	trans	69.1	3	-169.5	0	0	0	0	0	114.8	K267	G241-K267 PolarHBondContact N-O 2.85Å
242	S	85.5	Confident	93.3	Very high	102 Å²	102	34.4 Å²	34.4	71%	0.713	21%	0.213	S	C	*	.	S	Bend	trans	-127.2	-11.5	-169	69.4	0	0	0	0	115.2	T240	T240-S242 PolarHBondContact O-N 3.42Å; T240-S242 PolarHBondContact OG1-N 3.25Å; T240-S242 PolarHBondContact OG1-OG 3.05Å
243	D	89.2	Confident	93.1	Very high	60 Å²	60	34.6 Å²	34.6	32%	0.321	21%	0.214	S	C	.	.	S	Bend	trans	-137.9	177.3	-176.4	67.7	58.1	0	0	0	112.5	T240 F245 H323	T240-D243 PolarHBondContact OG1-OD2 3.44Å; D243-F245 WeakPolarHBondContact OD1-CB 3.29Å; D243-F245 PolarHBondContact OD1-N 3.14Å; D243-H323 IonicContact OD1-CE1 3.51Å; D243-H323 IonicContact OD1-NE2 2.93Å; D243-H323 PolarHBondContact OD1-NE2 3.46Å; D243-H323 IonicContact OD2-CE1 2.7Å; D243-H323 PolarHBondContact OD2-CE1 2.61Å; D243-H323 IonicContact OD2-NE2 2.89Å; D243-H323 PolarHBondContact OD2-NE2 2.79Å
244	N	89.7	Confident	92.8	Very high	116 Å²	116	40 Å²	40	62%	0.62	24%	0.239	S	C	*	.	S	Bend	trans	-95.8	11.7	-173.2	-63.3	-18.8	0	0	0	113.7	M246 T247 I248	N244-M246 VanDerWaalsContact C-N 3.31Å; N244-M246 PolarHBondContact O-N 3.25Å; N244-T247 PolarHBondContact O-N 3.29Å; N244-I248 HydrophobicContact CB-CD1 4.48Å; N244-I248 WeakPolarHBondContact O-CG1 3.29Å; N244-I248 PolarHBondContact O-N 3.25Å
245	F	90.5	Very high	92.5	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-56.2	-47.8	-177.7	177	-83.8	0	0	0	111.3	L8 F12 D243 T247 I248 F249 Q319 H323	L8-F245 HydrophobicContact CD2-CD2 3.85Å; L8-F245 HydrophobicContact CD2-CE2 3.91Å; F12-F245 HydrophobicContact CE2-CE2 4.11Å; F12-F245 AromaticContact CE2-CZ 3.69Å; F12-F245 HydrophobicContact CE2-CZ 3.69Å; F12-F245 AromaticContact CZ-CZ 3.8Å; F12-F245 HydrophobicContact CZ-CZ 3.8Å; D243-F245 WeakPolarHBondContact OD1-CB 3.29Å; D243-F245 PolarHBondContact OD1-N 3.14Å; F245-T247 PolarHBondContact O-N 3Å; F245-I248 PolarHBondContact O-N 3.31Å; F245-F249 HydrophobicContact CD1-CB 4.44Å; F245-F249 HydrophobicContact CE1-CB 4.17Å; F245-F249 HydrophobicContact CE1-CD2 4.29Å; F245-F249 HydrophobicContact CE1-CG 4.46Å; F245-F249 HydrophobicContact CZ-CD2 4.49Å; F245-F249 WeakPolarHBondContact O-CB 3.3Å; F245-F249 PolarHBondContact O-N 2.84Å; F245-Q319 HydrophobicContact CD2-CG 4.25Å; F245-H323 WeakPolarHBondContact CB-CD2 3.36Å; F245-H323 WeakPolarHBondContact CB-NE2 3.37Å; F245-H323 HydrophobicContact CD1-CB 3.38Å; F245-H323 AromaticContact CD1-CD2 3.46Å; F245-H323 VanDerWaalsContact CD1-CD2 3.46Å; F245-H323 WeakPolarHBondContact CD1-CD2 3.48Å; F245-H323 AromaticContact CD1-CG 3.41Å; F245-H323 VanDerWaalsContact CD1-CG 3.41Å; F245-H323 HydrophobicContact CD2-CB 3.92Å; F245-H323 AromaticContact CD2-CG 3.67Å; F245-H323 AromaticContact CD2-ND1 3.77Å; F245-H323 HydrophobicContact CE1-CB 3.33Å; F245-H323 AromaticContact CE1-CG 3.91Å; F245-H323 HydrophobicContact CE2-CB 3.86Å; F245-H323 HydrophobicContact CG-CB 3.7Å; F245-H323 AromaticContact CG-CD2 3.4Å; F245-H323 WeakPolarHBondContact CG-CD2 3.38Å; F245-H323 AromaticContact CG-CG 3.28Å; F245-H323 AromaticContact CG-ND1 3.73Å; F245-H323 AromaticContact CG-NE2 3.89Å; F245-H323 HydrophobicContact CZ-CB 3.56Å
246	M	90.9	Very high	91.9	Very high	24 Å²	24	50 Å²	50	12%	0.118	28%	0.277	C	S	.	.	H	α-helix	trans	-64.2	-40.4	-177.9	-66.2	-63.3	-73.4	0	0	111.9	G239 N244 I248 F249 E250 L263	G239-M246 PolarHBondContact N-SD 2.93Å; N244-M246 VanDerWaalsContact C-N 3.31Å; N244-M246 PolarHBondContact O-N 3.25Å; M246-I248 VanDerWaalsContact C-N 3.34Å; M246-I248 PolarHBondContact O-N 2.9Å; M246-F249 PolarHBondContact O-N 3.43Å; M246-E250 VanDerWaalsContact O-CB 3.28Å; M246-E250 WeakPolarHBondContact O-CB 3.41Å; M246-E250 PolarHBondContact O-N 2.99Å; M246-L263 HydrophobicContact CE-CB 3.74Å; M246-L263 HydrophobicContact CE-CD1 4.11Å; M246-L263 HydrophobicContact CE-CD2 3.67Å; M246-L263 HydrophobicContact CE-CG 4.03Å
247	T	92.3	Very high	91.6	Very high	87 Å²	87	51.2 Å²	51.2	53%	0.534	29%	0.29	S	S	.	.	H	α-helix	trans	-63.1	-40.9	175.6	-52.1	0	0	0	0	111.7	N244 F245 S251	N244-T247 PolarHBondContact O-N 3.29Å; F245-T247 PolarHBondContact O-N 3Å; T247-S251 VanDerWaalsContact O-CB 3.27Å; T247-S251 WeakPolarHBondContact O-CB 3.43Å; T247-S251 PolarHBondContact O-N 2.96Å
248	I	92.2	Very high	91.3	Very high	52 Å²	52	51.4 Å²	51.4	27%	0.267	29%	0.29	S	S	.	.	H	α-helix	trans	-66.4	-45.4	175.9	-67.7	166.7	0	0	0	110.1	L8 N244 F245 M246 S251 N252	L8-I248 HydrophobicContact CB-CG2 4.19Å; L8-I248 HydrophobicContact CD1-CD1 4.17Å; N244-I248 HydrophobicContact CB-CD1 4.48Å; N244-I248 WeakPolarHBondContact O-CG1 3.29Å; N244-I248 PolarHBondContact O-N 3.25Å; F245-I248 PolarHBondContact O-N 3.31Å; M246-I248 VanDerWaalsContact C-N 3.34Å; M246-I248 PolarHBondContact O-N 2.9Å; I248-S251 PolarHBondContact O-N 3.48Å; I248-N252 WeakPolarHBondContact O-CB 3.25Å; I248-N252 PolarHBondContact O-N 2.83Å; I248-N252 PolarHBondContact O-ND2 3.05Å; I248-N252 VanDerWaalsContact O-ND2 3.08Å
249	F	92.4	Very high	91.1	Very high	7 Å²	7	54.2 Å²	54.2	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-59.5	-48.9	178.2	-178.6	-84.9	0	0	0	111.5	F12 M209 P237 F245 M246 N252 M253 L263	F12-F249 HydrophobicContact CD1-CD2 4.26Å; F12-F249 AromaticContact CD1-CE2 3.81Å; F12-F249 HydrophobicContact CD1-CE2 3.81Å; F12-F249 AromaticContact CD2-CD2 3.91Å; F12-F249 HydrophobicContact CD2-CD2 3.91Å; F12-F249 HydrophobicContact CD2-CE2 4.29Å; F12-F249 HydrophobicContact CE1-CD2 4.13Å; F12-F249 AromaticContact CE1-CE2 3.71Å; F12-F249 HydrophobicContact CE1-CE2 3.71Å; F12-F249 AromaticContact CE2-CD2 3.75Å; F12-F249 HydrophobicContact CE2-CD2 3.75Å; F12-F249 HydrophobicContact CE2-CE2 4.2Å; F12-F249 HydrophobicContact CG-CD2 4.17Å; F12-F249 HydrophobicContact CG-CE2 4.11Å; F12-F249 AromaticContact CZ-CD2 3.86Å; F12-F249 HydrophobicContact CZ-CD2 3.86Å; F12-F249 AromaticContact CZ-CE2 3.91Å; F12-F249 HydrophobicContact CZ-CE2 3.91Å; M209-F249 HydrophobicContact CE-CE1 3.6Å; M209-F249 HydrophobicContact CE-CZ 3.67Å; M209-F249 HydrophobicContact SD-CZ 4.3Å; P237-F249 HydrophobicContact CB-CE1 4.32Å; P237-F249 HydrophobicContact CB-CE2 4.44Å; P237-F249 HydrophobicContact CB-CZ 4.17Å; P237-F249 HydrophobicContact CG-CE1 4.05Å; P237-F249 HydrophobicContact CG-CE2 4.22Å; P237-F249 HydrophobicContact CG-CZ 3.67Å; F245-F249 HydrophobicContact CD1-CB 4.44Å; F245-F249 HydrophobicContact CE1-CB 4.17Å; F245-F249 HydrophobicContact CE1-CD2 4.29Å; F245-F249 HydrophobicContact CE1-CG 4.46Å; F245-F249 HydrophobicContact CZ-CD2 4.49Å; F245-F249 WeakPolarHBondContact O-CB 3.3Å; F245-F249 PolarHBondContact O-N 2.84Å; M246-F249 PolarHBondContact O-N 3.43Å; F249-N252 PolarHBondContact O-N 2.86Å; F249-M253 HydrophobicContact CD1-CG 4.16Å; F249-M253 HydrophobicContact CE1-CG 3.83Å; F249-M253 HydrophobicContact CZ-CG 4.17Å; F249-M253 WeakPolarHBondContact O-CG 3.49Å; F249-M253 PolarHBondContact O-N 3.47Å; F249-L263 HydrophobicContact CD1-CD1 3.49Å; F249-L263 VanDerWaalsContact CD1-CD1 3.49Å; F249-L263 HydrophobicContact CD1-CD2 4.44Å; F249-L263 HydrophobicContact CE1-CD1 3.75Å; F249-L263 HydrophobicContact CE1-CD2 4.14Å
250	E	93.5	Very high	91.1	Very high	76 Å²	76	54.2 Å²	54.2	36%	0.355	31%	0.308	S	S	.	.	H	α-helix	trans	-59.7	-49.7	177.1	-177.1	170.9	-145.4	0	0	111.2	M246 N252 M253 E254 V260 L263	M246-E250 VanDerWaalsContact O-CB 3.28Å; M246-E250 WeakPolarHBondContact O-CB 3.41Å; M246-E250 PolarHBondContact O-N 2.99Å; E250-N252 VanDerWaalsContact C-N 3.28Å; E250-N252 PolarHBondContact O-N 3.27Å; E250-M253 PolarHBondContact O-N 3.07Å; E250-E254 HydrophobicContact CG-CG 4.47Å; E250-E254 WeakPolarHBondContact O-CG 3.42Å; E250-E254 PolarHBondContact O-N 3.03Å; E250-V260 HydrophobicContact CB-CG2 4.32Å; E250-V260 HydrophobicContact CG-CG2 4.08Å; E250-L263 HydrophobicContact CB-CD1 4.29Å
251	S	94	Very high	91.3	Very high	68 Å²	68	54.9 Å²	54.9	48%	0.476	31%	0.313	S	S	.	.	H	α-helix	trans	-59.1	-37.5	177.6	-177.7	0	0	0	0	112.8	T247 I248 R255	T247-S251 VanDerWaalsContact O-CB 3.27Å; T247-S251 WeakPolarHBondContact O-CB 3.43Å; T247-S251 PolarHBondContact O-N 2.96Å; I248-S251 PolarHBondContact O-N 3.48Å; S251-R255 WeakPolarHBondContact O-CB 3.23Å; S251-R255 PolarHBondContact O-N 2.82Å
252	N	91.1	Very high	91.7	Very high	23 Å²	23	51.9 Å²	51.9	12%	0.123	28%	0.282	C	S	.	.	H	α-helix	trans	-67.5	-39.4	175.9	-70.5	-30.6	0	0	0	112.2	S9 I248 F249 E250 R256	S9-N252 WeakPolarHBondContact CA-ND2 3.38Å; S9-N252 PolarHBondContact OG-OD1 3.31Å; I248-N252 WeakPolarHBondContact O-CB 3.25Å; I248-N252 PolarHBondContact O-N 2.83Å; I248-N252 PolarHBondContact O-ND2 3.05Å; I248-N252 VanDerWaalsContact O-ND2 3.08Å; F249-N252 PolarHBondContact O-N 2.86Å; E250-N252 VanDerWaalsContact C-N 3.28Å; E250-N252 PolarHBondContact O-N 3.27Å; N252-R256 WeakPolarHBondContact O-CG 3.44Å; N252-R256 PolarHBondContact O-N 3.21Å
253	M	92.8	Very high	92.1	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.015	25%	0.25	C	C	.	.	H	α-helix	trans	-70.4	-41.8	177.9	-68.7	-62.4	-71	0	0	111.4	T32 M209 Y210 F249 E250 R255 R256 G257 I258 V260	T32-M253 HydrophobicContact CG2-CE 4.5Å; M209-M253 HydrophobicContact CE-CE 4Å; Y210-M253 HydrophobicContact CE1-CE 3.99Å; F249-M253 HydrophobicContact CD1-CG 4.16Å; F249-M253 HydrophobicContact CE1-CG 3.83Å; F249-M253 HydrophobicContact CZ-CG 4.17Å; F249-M253 WeakPolarHBondContact O-CG 3.49Å; F249-M253 PolarHBondContact O-N 3.47Å; E250-M253 PolarHBondContact O-N 3.07Å; M253-R255 PolarHBondContact O-N 3.48Å; M253-R256 CarbonylContact O-C 3.56Å; M253-R256 WeakPolarHBondContact O-CA 3.41Å; M253-R256 WeakPolarHBondContact O-CB 3.43Å; M253-R256 PolarHBondContact O-N 2.99Å; M253-G257 PolarHBondContact O-N 3.29Å; M253-I258 CarbonylContact C-O 3.48Å; M253-I258 VanDerWaalsContact C-O 3.28Å; M253-I258 VanDerWaalsContact CB-O 3.32Å; M253-I258 WeakPolarHBondContact CB-O 3.34Å; M253-I258 HydrophobicContact CE-CB 3.9Å; M253-I258 HydrophobicContact CE-CD1 4.17Å; M253-I258 HydrophobicContact CE-CG2 3.55Å; M253-I258 PolarHBondContact O-N 3.42Å; M253-V260 HydrophobicContact CB-CG1 3.92Å; M253-V260 HydrophobicContact CB-CG2 4Å; M253-V260 HydrophobicContact CE-CG1 3.84Å; M253-V260 HydrophobicContact CG-CG1 4.04Å; M253-V260 HydrophobicContact CG-CG2 4.46Å
254	E	92.1	Very high	92.3	Very high	114 Å²	114	49.9 Å²	49.9	53%	0.533	26%	0.26	S	S	.	.	H	α-helix	trans	-60.2	-41.4	173.2	-74	-175.4	158.6	0	0	112.5	E250 R256 G257	E250-E254 HydrophobicContact CG-CG 4.47Å; E250-E254 WeakPolarHBondContact O-CG 3.42Å; E250-E254 PolarHBondContact O-N 3.03Å; E254-R256 PolarHBondContact O-N 2.81Å; E254-G257 WeakPolarHBondContact O-CA 3.29Å; E254-G257 PolarHBondContact O-N 3.3Å
255	R	91.4	Very high	92.6	Very high	153 Å²	153	45.6 Å²	45.6	58%	0.577	24%	0.237	S	C	*	.	H	α-helix	trans	-61.1	-27.5	175.7	-168.6	-177.6	68.7	85.8	0.2	112.5	S251 M253 G257	S251-R255 WeakPolarHBondContact O-CB 3.23Å; S251-R255 PolarHBondContact O-N 2.82Å; M253-R255 PolarHBondContact O-N 3.48Å; R255-G257 VanDerWaalsContact C-N 3.27Å
256	R	86.2	Confident	92.9	Very high	64 Å²	64	45.4 Å²	45.4	24%	0.242	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-1.2	172.9	-63.1	174.8	65.3	-162.7	4.6	112.7	D35 N252 M253 E254 I258	D35-R256 IonicContact OD2-CZ 2.79Å; D35-R256 IonicContact OD2-NH1 3.91Å; D35-R256 IonicContact OD2-NH2 3.95Å; D35-R256 PolarHBondContact OD2-NH2 3.44Å; N252-R256 WeakPolarHBondContact O-CG 3.44Å; N252-R256 PolarHBondContact O-N 3.21Å; M253-R256 CarbonylContact O-C 3.56Å; M253-R256 WeakPolarHBondContact O-CA 3.41Å; M253-R256 WeakPolarHBondContact O-CB 3.43Å; M253-R256 PolarHBondContact O-N 2.99Å; E254-R256 PolarHBondContact O-N 2.81Å; R256-I258 VanDerWaalsContact C-N 3.31Å; R256-I258 HydrophobicContact CB-CD1 3.94Å; R256-I258 HydrophobicContact CB-CG1 4.31Å
257	G	91.1	Very high	93.1	Very high	26 Å²	26	50.2 Å²	50.2	27%	0.268	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	27.6	-175.5	0	0	0	0	0	113.4	K28 M253 E254 R255 P259	K28-G257 VanDerWaalsContact CD-O 3.23Å; K28-G257 WeakPolarHBondContact CD-O 3.2Å; M253-G257 PolarHBondContact O-N 3.29Å; E254-G257 WeakPolarHBondContact O-CA 3.29Å; E254-G257 PolarHBondContact O-N 3.3Å; R255-G257 VanDerWaalsContact C-N 3.27Å; G257-P259 WeakPolarHBondContact O-CD 3.5Å
258	I	92	Very high	93.3	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.015	24%	0.242	C	C	.	.			trans	-115.4	85	177.9	-55.7	159.3	0	0	0	107.2	F25 K28 I29 T32 Y210 M253 R256	F25-I258 HydrophobicContact CE2-CG2 4.45Å; K28-I258 HydrophobicContact CB-CG1 3.77Å; I29-I258 HydrophobicContact CG1-CG2 4.32Å; T32-I258 HydrophobicContact CG2-CD1 3.61Å; Y210-I258 HydrophobicContact CD1-CG2 4.05Å; Y210-I258 HydrophobicContact CE1-CG2 3.68Å; M253-I258 CarbonylContact C-O 3.48Å; M253-I258 VanDerWaalsContact C-O 3.28Å; M253-I258 VanDerWaalsContact CB-O 3.32Å; M253-I258 WeakPolarHBondContact CB-O 3.34Å; M253-I258 HydrophobicContact CE-CB 3.9Å; M253-I258 HydrophobicContact CE-CD1 4.17Å; M253-I258 HydrophobicContact CE-CG2 3.55Å; M253-I258 PolarHBondContact O-N 3.42Å; R256-I258 VanDerWaalsContact C-N 3.31Å; R256-I258 HydrophobicContact CB-CD1 3.94Å; R256-I258 HydrophobicContact CB-CG1 4.31Å
259	P	91.6	Very high	93.5	Very high	59 Å²	59	48.1 Å²	48.1	38%	0.383	24%	0.242	S	C	.	.			trans	-59.3	145.5	171.7	25.1	-34.8	0	0	0	110.6	F25 G257 P261	F25-P259 HydrophobicContact CD2-CG 3.8Å; F25-P259 HydrophobicContact CE2-CG 3.39Å; F25-P259 HydrophobicContact CZ-CG 3.97Å; G257-P259 WeakPolarHBondContact O-CD 3.5Å; P259-P261 WeakPolarHBondContact O-CD 3.14Å
260	V	95.3	Very high	93.7	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.018	27%	0.266	C	S	.	.			trans	-127.6	59.4	-174.5	-73.9	0	0	0	0	109.8	M209 Y210 E250 M253 G262 L263	M209-V260 HydrophobicContact CE-CB 4.14Å; M209-V260 HydrophobicContact CE-CG1 3.3Å; M209-V260 CarbonylContact O-C 3.53Å; M209-V260 WeakPolarHBondContact O-CA 3.31Å; Y210-V260 HydrophobicContact CD1-CG1 4.19Å; Y210-V260 HydrophobicContact CE1-CG1 4.17Å; E250-V260 HydrophobicContact CB-CG2 4.32Å; E250-V260 HydrophobicContact CG-CG2 4.08Å; M253-V260 HydrophobicContact CB-CG1 3.92Å; M253-V260 HydrophobicContact CB-CG2 4Å; M253-V260 HydrophobicContact CE-CG1 3.84Å; M253-V260 HydrophobicContact CG-CG1 4.04Å; M253-V260 HydrophobicContact CG-CG2 4.46Å; V260-G262 PolarHBondContact O-N 2.95Å; V260-L263 HydrophobicContact CB-CD1 3.79Å; V260-L263 HydrophobicContact CB-CG 3.91Å; V260-L263 HydrophobicContact CG2-CD1 3.3Å; V260-L263 HydrophobicContact CG2-CG 3.96Å; V260-L263 WeakPolarHBondContact O-CB 3.43Å; V260-L263 WeakPolarHBondContact O-CG 3.31Å; V260-L263 PolarHBondContact O-N 3.28Å; V260-L263 VanDerWaalsContact O-N 3.14Å
261	P	95.5	Very high	93.9	Very high	45 Å²	45	48 Å²	48	29%	0.292	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-62.6	-19	-170	29.2	-37.2	0	0	0	112.6	P259 L263 Q264	P259-P261 WeakPolarHBondContact O-CD 3.14Å; P261-L263 VanDerWaalsContact C-N 3.28Å; P261-L263 PolarHBondContact O-N 2.63Å; P261-Q264 VanDerWaalsContact O-CG 3.29Å; P261-Q264 WeakPolarHBondContact O-CG 3.32Å; P261-Q264 PolarHBondContact O-NE2 3.44Å
262	G	96.2	Very high	94	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-72.7	-19.9	-179.9	0	0	0	0	0	114.3	L208 M209 L211 V260 Q264 N265 F266	L208-G262 WeakPolarHBondContact O-CA 3.34Å; M209-G262 PolarHBondContact O-N 3.47Å; L211-G262 WeakPolarHBondContact O-CA 3.13Å; L211-G262 PolarHBondContact O-N 3.39Å; V260-G262 PolarHBondContact O-N 2.95Å; G262-Q264 PolarHBondContact O-N 2.86Å; G262-Q264 VanDerWaalsContact O-N 3.12Å; G262-N265 WeakPolarHBondContact O-CB 2.99Å; G262-N265 PolarHBondContact O-N 2.87Å; G262-N265 PolarHBondContact O-ND2 3.47Å; G262-F266 WeakPolarHBondContact O-CD2 3.2Å
263	L	94.6	Very high	94.4	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.037	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-59.7	-27.7	-174.4	-71.1	-176.5	0	0	0	114	M209 P237 M246 F249 E250 V260 P261 N265 F266 K267	M209-L263 HydrophobicContact CB-CD2 3.65Å; M209-L263 HydrophobicContact CB-CG 4.23Å; P237-L263 HydrophobicContact CB-CD2 4.01Å; P237-L263 HydrophobicContact CG-CD2 4.14Å; M246-L263 HydrophobicContact CE-CB 3.74Å; M246-L263 HydrophobicContact CE-CD1 4.11Å; M246-L263 HydrophobicContact CE-CD2 3.67Å; M246-L263 HydrophobicContact CE-CG 4.03Å; F249-L263 HydrophobicContact CD1-CD1 3.49Å; F249-L263 VanDerWaalsContact CD1-CD1 3.49Å; F249-L263 HydrophobicContact CD1-CD2 4.44Å; F249-L263 HydrophobicContact CE1-CD1 3.75Å; F249-L263 HydrophobicContact CE1-CD2 4.14Å; E250-L263 HydrophobicContact CB-CD1 4.29Å; V260-L263 HydrophobicContact CB-CD1 3.79Å; V260-L263 HydrophobicContact CB-CG 3.91Å; V260-L263 HydrophobicContact CG2-CD1 3.3Å; V260-L263 HydrophobicContact CG2-CG 3.96Å; V260-L263 WeakPolarHBondContact O-CB 3.43Å; V260-L263 WeakPolarHBondContact O-CG 3.31Å; V260-L263 PolarHBondContact O-N 3.28Å; V260-L263 VanDerWaalsContact O-N 3.14Å; P261-L263 VanDerWaalsContact C-N 3.28Å; P261-L263 PolarHBondContact O-N 2.63Å; L263-N265 PolarHBondContact O-N 3.3Å; L263-F266 CarbonylContact O-C 3.58Å; L263-F266 WeakPolarHBondContact O-CA 3.32Å; L263-F266 PolarHBondContact O-N 2.88Å; L263-K267 PolarHBondContact O-N 3.31Å
264	Q	93.5	Very high	94.6	Very high	114 Å²	114	50.8 Å²	50.8	53%	0.533	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-58.7	-27.9	174.1	65.9	-156	-21.4	0	0	113.2	S213 P261 G262 F266	S213-Q264 WeakPolarHBondContact OG-CG 3.43Å; S213-Q264 PolarHBondContact OG-NE2 3.22Å; S213-Q264 VanDerWaalsContact OG-NE2 3.08Å; P261-Q264 VanDerWaalsContact O-CG 3.29Å; P261-Q264 WeakPolarHBondContact O-CG 3.32Å; P261-Q264 PolarHBondContact O-NE2 3.44Å; G262-Q264 PolarHBondContact O-N 2.86Å; G262-Q264 VanDerWaalsContact O-N 3.12Å; Q264-F266 PolarHBondContact O-N 3.33Å
265	N	96.3	Very high	94.9	Very high	25 Å²	25	46 Å²	46	13%	0.134	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-75.8	-12.8	174.4	-52.6	-56.7	0	0	0	112.7	S213 G262 L263 A271 V272 L275	S213-N265 WeakPolarHBondContact CA-ND2 3.4Å; S213-N265 WeakPolarHBondContact CB-OD1 3.46Å; S213-N265 VanDerWaalsContact OG-CG 3.27Å; S213-N265 PolarHBondContact OG-ND2 3.37Å; S213-N265 VanDerWaalsContact OG-ND2 3.14Å; S213-N265 PolarHBondContact OG-OD1 2.91Å; G262-N265 WeakPolarHBondContact O-CB 2.99Å; G262-N265 PolarHBondContact O-N 2.87Å; G262-N265 PolarHBondContact O-ND2 3.47Å; L263-N265 PolarHBondContact O-N 3.3Å; N265-A271 CarbonylContact O-C 3.13Å; N265-A271 WeakPolarHBondContact O-CB 3.29Å; N265-V272 PolarHBondContact O-N 3.17Å; N265-L275 HydrophobicContact CB-CD1 4.18Å; N265-L275 HydrophobicContact CB-CD2 3.91Å; N265-L275 HydrophobicContact CB-CG 4.45Å
266	F	96.5	Very high	95.2	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-116.2	22.9	-177.8	-64.1	-92.4	0	0	0	112.3	L208 E236 P237 A238 G239 G262 L263 Q264 D268 V272 L275 I325	L208-F266 HydrophobicContact CB-CE2 3.87Å; L208-F266 HydrophobicContact CB-CZ 4.03Å; L208-F266 HydrophobicContact CD1-CE2 4.4Å; L208-F266 HydrophobicContact CD1-CZ 3.84Å; E236-F266 HydrophobicContact CB-CD1 3.62Å; E236-F266 HydrophobicContact CB-CE1 3.55Å; E236-F266 HydrophobicContact CB-CE2 4.47Å; E236-F266 HydrophobicContact CB-CG 4.18Å; E236-F266 HydrophobicContact CB-CZ 4.02Å; E236-F266 HydrophobicContact CG-CD1 4.15Å; E236-F266 HydrophobicContact CG-CE1 3.57Å; E236-F266 HydrophobicContact CG-CE2 4.16Å; E236-F266 HydrophobicContact CG-CZ 3.6Å; P237-F266 VanDerWaalsContact O-CB 3.24Å; P237-F266 WeakPolarHBondContact O-CB 3.26Å; A238-F266 CarbonylContact C-O 3.57Å; A238-F266 WeakPolarHBondContact CA-O 3.41Å; A238-F266 HydrophobicContact CB-CB 4.16Å; G239-F266 PolarHBondContact N-O 3.35Å; G262-F266 WeakPolarHBondContact O-CD2 3.2Å; L263-F266 CarbonylContact O-C 3.58Å; L263-F266 WeakPolarHBondContact O-CA 3.32Å; L263-F266 PolarHBondContact O-N 2.88Å; Q264-F266 PolarHBondContact O-N 3.33Å; F266-D268 PolarHBondContact O-N 3.47Å; F266-V272 HydrophobicContact CB-CG2 4.32Å; F266-V272 HydrophobicContact CD1-CG1 4.45Å; F266-V272 HydrophobicContact CD1-CG2 3.45Å; F266-V272 VanDerWaalsContact CD1-CG2 3.45Å; F266-V272 HydrophobicContact CE1-CG1 4.21Å; F266-V272 HydrophobicContact CE1-CG2 4.01Å; F266-V272 HydrophobicContact CG-CG2 4.18Å; F266-L275 HydrophobicContact CE2-CD2 4.01Å; F266-L275 HydrophobicContact CZ-CD2 3.83Å; F266-I325 HydrophobicContact CD1-CG2 4.29Å
267	K	94.9	Very high	95.8	Very high	125 Å²	125	39.7 Å²	39.7	54%	0.543	22%	0.222	S	C	.	.	S	Bend	trans	-61.6	-28.6	-178.9	65	178.2	-174.6	-178.8	0	114.6	G239 G241 L263 A271	G239-K267 CarbonylContact C-O 3.45Å; G239-K267 WeakPolarHBondContact CA-O 3.49Å; G241-K267 PolarHBondContact N-O 2.85Å; L263-K267 PolarHBondContact O-N 3.31Å; K267-A271 HydrophobicContact CD-CB 4.45Å; K267-A271 HydrophobicContact CG-CB 3.68Å
268	D	95.8	Very high	96.1	Very high	43 Å²	43	43.7 Å²	43.7	23%	0.23	24%	0.237	C	C	.	.	S	Bend	trans	-160.5	170.8	178.8	59.1	49.9	0	0	0	110.8	G239 F266 A270 A271 V272	G239-D268 WeakPolarHBondContact O-CA 3.49Å; F266-D268 PolarHBondContact O-N 3.47Å; D268-A270 PolarHBondContact O-N 3Å; D268-A270 WeakPolarHBondContact OD1-CA 3.28Å; D268-A270 WeakPolarHBondContact OD1-CB 3.33Å; D268-A270 PolarHBondContact OD1-N 2.85Å; D268-A271 PolarHBondContact O-N 3.08Å; D268-A271 WeakPolarHBondContact OD1-CB 3.32Å; D268-A271 PolarHBondContact OD1-N 2.94Å; D268-V272 PolarHBondContact O-N 3.44Å
269	D	96.5	Very high	96.4	Very high	51 Å²	51	43.8 Å²	43.8	27%	0.273	24%	0.238	S	C	.	.	H	α-helix	trans	-59.5	-33.2	-179.5	-57.3	66.7	0	0	0	112.9	R273 H286 R288	D269-R273 WeakPolarHBondContact O-CG 3.36Å; D269-R273 PolarHBondContact O-N 3.38Å; D269-R273 VanDerWaalsContact O-N 3.14Å; D269-H286 IonicContact OD2-CE1 2.74Å; D269-H286 PolarHBondContact OD2-CE1 2.91Å; D269-H286 IonicContact OD2-ND1 2.75Å; D269-H286 PolarHBondContact OD2-ND1 3.49Å; D269-R288 IonicContact OD1-CZ 3.14Å; D269-R288 IonicContact OD1-NE 3.03Å; D269-R288 PolarHBondContact OD1-NE 2.82Å; D269-R288 IonicContact OD1-NH2 2.97Å; D269-R288 PolarHBondContact OD1-NH2 3Å; D269-R288 IonicContact OD2-CZ 2.76Å; D269-R288 IonicContact OD2-NE 3.79Å; D269-R288 PolarHBondContact OD2-NE 2.91Å; D269-R288 VanDerWaalsContact OD2-NE 3.16Å; D269-R288 IonicContact OD2-NH2 2.72Å
270	A	96.8	Very high	96.7	Very high	66 Å²	66	42.8 Å²	42.8	55%	0.545	24%	0.239	S	C	.	.	H	α-helix	trans	-71.2	-38.3	-179.1	0	0	0	0	0	111.1	D268 R273 S274	D268-A270 PolarHBondContact O-N 3Å; D268-A270 WeakPolarHBondContact OD1-CA 3.28Å; D268-A270 WeakPolarHBondContact OD1-CB 3.33Å; D268-A270 PolarHBondContact OD1-N 2.85Å; A270-R273 PolarHBondContact O-N 3.32Å; A270-S274 WeakPolarHBondContact O-CB 3.15Å; A270-S274 PolarHBondContact O-N 2.95Å
271	A	96.8	Very high	96.8	Very high	15 Å²	15	42.9 Å²	42.9	12%	0.124	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-43.7	174.7	0	0	0	0	0	111.7	N265 K267 D268 R273 S274 L275	N265-A271 CarbonylContact O-C 3.13Å; N265-A271 WeakPolarHBondContact O-CB 3.29Å; K267-A271 HydrophobicContact CD-CB 4.45Å; K267-A271 HydrophobicContact CG-CB 3.68Å; D268-A271 PolarHBondContact O-N 3.08Å; D268-A271 WeakPolarHBondContact OD1-CB 3.32Å; D268-A271 PolarHBondContact OD1-N 2.94Å; A271-R273 PolarHBondContact O-N 3.26Å; A271-S274 PolarHBondContact O-N 2.95Å; A271-L275 WeakPolarHBondContact O-CB 3.42Å; A271-L275 PolarHBondContact O-N 2.89Å
272	V	97.7	Very high	96.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.7	-45.9	176.2	179.2	0	0	0	0	111.1	N265 F266 D268 L275 L276 I325 A327	N265-V272 PolarHBondContact O-N 3.17Å; F266-V272 HydrophobicContact CB-CG2 4.32Å; F266-V272 HydrophobicContact CD1-CG1 4.45Å; F266-V272 HydrophobicContact CD1-CG2 3.45Å; F266-V272 VanDerWaalsContact CD1-CG2 3.45Å; F266-V272 HydrophobicContact CE1-CG1 4.21Å; F266-V272 HydrophobicContact CE1-CG2 4.01Å; F266-V272 HydrophobicContact CG-CG2 4.18Å; D268-V272 PolarHBondContact O-N 3.44Å; V272-L275 PolarHBondContact O-N 3.01Å; V272-L276 HydrophobicContact CG1-CD1 4.17Å; V272-L276 WeakPolarHBondContact O-CG 3.41Å; V272-L276 PolarHBondContact O-N 3.44Å; V272-I325 HydrophobicContact CB-CD1 4.4Å; V272-I325 HydrophobicContact CG1-CD1 4.34Å; V272-I325 HydrophobicContact CG2-CD1 4.19Å; V272-I325 HydrophobicContact CG2-CG2 4.4Å; V272-A327 HydrophobicContact CG1-CB 3.95Å
273	R	97.9	Very high	96.7	Very high	99 Å²	99	50.3 Å²	50.3	37%	0.374	27%	0.269	S	S	.	.	H	α-helix	trans	-60.7	-46.2	174.7	-74	179.8	177.3	-85.9	-7.5	111.6	D269 A270 A271 L276 L277 V284 H286	D269-R273 WeakPolarHBondContact O-CG 3.36Å; D269-R273 PolarHBondContact O-N 3.38Å; D269-R273 VanDerWaalsContact O-N 3.14Å; A270-R273 PolarHBondContact O-N 3.32Å; A271-R273 PolarHBondContact O-N 3.26Å; R273-L276 PolarHBondContact O-N 2.81Å; R273-L277 WeakPolarHBondContact O-CB 3.37Å; R273-L277 VanDerWaalsContact O-CG 3.22Å; R273-L277 WeakPolarHBondContact O-CG 3.21Å; R273-L277 PolarHBondContact O-N 3.27Å; R273-V284 HydrophobicContact CG-CG1 4.23Å; R273-V284 PolarHBondContact NH1-O 2.85Å; R273-H286 VanDerWaalsContact CZ-CD2 3.44Å; R273-H286 VanDerWaalsContact CZ-NE2 3.34Å; R273-H286 PolarHBondContact NE-CD2 2.93Å; R273-H286 PolarHBondContact NE-NE2 2.82Å; R273-H286 PolarHBondContact NH2-CD2 3.15Å; R273-H286 PolarHBondContact NH2-NE2 2.93Å
274	S	98.1	Very high	96.7	Very high	54 Å²	54	50.5 Å²	50.5	38%	0.378	27%	0.27	S	S	.	.	H	α-helix	trans	-62.2	-43.1	-179.7	-171.1	0	0	0	0	111.8	A270 A271 L276 N278	A270-S274 WeakPolarHBondContact O-CB 3.15Å; A270-S274 PolarHBondContact O-N 2.95Å; A271-S274 PolarHBondContact O-N 2.95Å; S274-L276 PolarHBondContact O-N 3.22Å; S274-N278 WeakPolarHBondContact O-CB 3.34Å; S274-N278 PolarHBondContact O-N 3.07Å; S274-N278 PolarHBondContact O-ND2 3.22Å; S274-N278 PolarHBondContact OG-ND2 3.3Å
275	L	98.4	Very high	96.8	Very high	12 Å²	12	48.1 Å²	48.1	6%	0.063	26%	0.263	C	S	.	.	H	α-helix	trans	-55.7	-52.3	177.6	176.1	70.2	0	0	0	110.8	L208 C216 L220 N265 F266 A271 V272 A279	L208-L275 HydrophobicContact CD1-CD2 4.47Å; C216-L275 HydrophobicContact CB-CD1 4.29Å; L220-L275 HydrophobicContact CD1-CD1 4.08Å; L220-L275 HydrophobicContact CD1-CD2 3.86Å; L220-L275 HydrophobicContact CD1-CG 3.72Å; N265-L275 HydrophobicContact CB-CD1 4.18Å; N265-L275 HydrophobicContact CB-CD2 3.91Å; N265-L275 HydrophobicContact CB-CG 4.45Å; F266-L275 HydrophobicContact CE2-CD2 4.01Å; F266-L275 HydrophobicContact CZ-CD2 3.83Å; A271-L275 WeakPolarHBondContact O-CB 3.42Å; A271-L275 PolarHBondContact O-N 2.89Å; V272-L275 PolarHBondContact O-N 3.01Å; L275-A279 WeakPolarHBondContact O-CB 3.47Å; L275-A279 PolarHBondContact O-N 3.08Å; L275-A279 VanDerWaalsContact O-N 3.09Å
276	L	98.4	Very high	96.8	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-69.7	-44.5	-175.9	-66.5	169.3	0	0	0	112	L220 L232 V272 R273 S274 A279 W281 V284 A327 A329	L220-L276 HydrophobicContact CD1-CD2 4.17Å; L220-L276 HydrophobicContact CD2-CD2 4.05Å; L232-L276 HydrophobicContact CD2-CD2 3.55Å; V272-L276 HydrophobicContact CG1-CD1 4.17Å; V272-L276 WeakPolarHBondContact O-CG 3.41Å; V272-L276 PolarHBondContact O-N 3.44Å; R273-L276 PolarHBondContact O-N 2.81Å; S274-L276 PolarHBondContact O-N 3.22Å; L276-A279 PolarHBondContact O-N 3.47Å; L276-W281 WeakPolarHBondContact O-CB 3.5Å; L276-W281 VanDerWaalsContact O-CD1 3.22Å; L276-W281 PolarHBondContact O-N 3.03Å; L276-V284 HydrophobicContact CB-CG1 4.25Å; L276-V284 HydrophobicContact CB-CG2 3.62Å; L276-V284 HydrophobicContact CD1-CG1 3.68Å; L276-V284 HydrophobicContact CD1-CG2 4.43Å; L276-A327 HydrophobicContact CD1-CB 3.81Å; L276-A329 HydrophobicContact CB-CB 4.38Å; L276-A329 HydrophobicContact CD1-CB 4.23Å; L276-A329 HydrophobicContact CD2-CB 4.31Å
277	L	98.2	Very high	96.7	Very high	83 Å²	83	49.9 Å²	49.9	44%	0.435	27%	0.269	S	S	.	.	H	α-helix	trans	-64.5	-42.3	177.7	-68.4	171	0	0	0	111.7	R273 A279 G280 W281 V284	R273-L277 WeakPolarHBondContact O-CB 3.37Å; R273-L277 VanDerWaalsContact O-CG 3.22Å; R273-L277 WeakPolarHBondContact O-CG 3.21Å; R273-L277 PolarHBondContact O-N 3.27Å; L277-A279 VanDerWaalsContact C-N 3.27Å; L277-A279 PolarHBondContact O-N 2.96Å; L277-G280 PolarHBondContact O-N 3.27Å; L277-W281 WeakPolarHBondContact CD2-O 3.25Å; L277-V284 HydrophobicContact CD2-CB 4.46Å; L277-V284 HydrophobicContact CD2-CG2 3.76Å; L277-V284 HydrophobicContact CG-CG2 3.91Å
278	N	98.2	Very high	96.8	Very high	110 Å²	110	45.2 Å²	45.2	59%	0.588	25%	0.248	S	C	*	.	H	α-helix	trans	-68.3	-25.9	178.8	-68.4	-14.9	0	0	0	112.6	Q217 S274 G280	Q217-N278 VanDerWaalsContact NE2-C 3.35Å; Q217-N278 PolarHBondContact NE2-O 3.06Å; S274-N278 WeakPolarHBondContact O-CB 3.34Å; S274-N278 PolarHBondContact O-N 3.07Å; S274-N278 PolarHBondContact O-ND2 3.22Å; S274-N278 PolarHBondContact OG-ND2 3.3Å; N278-G280 PolarHBondContact O-N 3.39Å
279	A	98.2	Very high	96.9	Very high	5 Å²	5	43.2 Å²	43.2	4%	0.041	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-13.6	171.8	0	0	0	0	0	113.8	Q217 L220 A221 V224 L275 L276 L277	Q217-A279 VanDerWaalsContact NE2-CA 3.27Å; L220-A279 HydrophobicContact CB-CB 3.5Å; L220-A279 HydrophobicContact CD1-CB 4.47Å; A221-A279 WeakPolarHBondContact CA-O 3.04Å; V224-A279 VanDerWaalsContact CG1-O 3.26Å; V224-A279 WeakPolarHBondContact CG1-O 3.36Å; L275-A279 WeakPolarHBondContact O-CB 3.47Å; L275-A279 PolarHBondContact O-N 3.08Å; L275-A279 VanDerWaalsContact O-N 3.09Å; L276-A279 PolarHBondContact O-N 3.47Å; L277-A279 VanDerWaalsContact C-N 3.27Å; L277-A279 PolarHBondContact O-N 2.96Å
280	G	97.4	Very high	96.8	Very high	39 Å²	39	42.2 Å²	42.2	40%	0.402	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.8	7.9	178.2	0	0	0	0	0	114.5	L277 N278	L277-G280 PolarHBondContact O-N 3.27Å; N278-G280 PolarHBondContact O-N 3.39Å
281	W	97.2	Very high	96.8	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.015	23%	0.225	C	C	.	.			trans	-70.9	135	170.9	-63	88.8	0	0	0	110.5	I202 L223 V224 S230 L232 L276 L277 V284 A329	I202-W281 HydrophobicContact CD1-CH2 4.29Å; L223-W281 HydrophobicContact CB-CZ2 4.27Å; V224-W281 HydrophobicContact CB-CD2 3.99Å; V224-W281 HydrophobicContact CB-CE3 4.43Å; V224-W281 HydrophobicContact CB-CG 4.36Å; V224-W281 HydrophobicContact CB-CH2 4.39Å; V224-W281 HydrophobicContact CB-CZ2 3.94Å; V224-W281 HydrophobicContact CG2-CD2 3.74Å; V224-W281 HydrophobicContact CG2-CE3 3.87Å; V224-W281 HydrophobicContact CG2-CG 4.07Å; V224-W281 HydrophobicContact CG2-CZ2 4.4Å; V224-W281 HydrophobicContact CG2-CZ3 4.27Å; S230-W281 WeakPolarHBondContact OG-CZ3 3.38Å; L232-W281 HydrophobicContact CB-CD2 4.43Å; L232-W281 HydrophobicContact CB-CE3 4.31Å; L232-W281 HydrophobicContact CB-CH2 3.44Å; L232-W281 VanDerWaalsContact CB-CH2 3.44Å; L232-W281 HydrophobicContact CB-CZ2 3.57Å; L232-W281 HydrophobicContact CB-CZ3 3.82Å; L232-W281 HydrophobicContact CD2-CZ2 4.04Å; L232-W281 HydrophobicContact CG-CZ2 4.28Å; L276-W281 WeakPolarHBondContact O-CB 3.5Å; L276-W281 VanDerWaalsContact O-CD1 3.22Å; L276-W281 PolarHBondContact O-N 3.03Å; L277-W281 WeakPolarHBondContact CD2-O 3.25Å; W281-V284 HydrophobicContact CB-CG2 4.45Å; W281-A329 HydrophobicContact CB-CB 3.79Å; W281-A329 HydrophobicContact CD2-CB 3.69Å; W281-A329 HydrophobicContact CE3-CB 3.79Å; W281-A329 HydrophobicContact CG-CB 3.7Å
282	E	95.5	Very high	96.7	Very high	106 Å²	106	43.1 Å²	43.1	50%	0.495	22%	0.219	S	C	.	.	S	Bend	trans	-84.5	-36.9	-168.4	-61	176	159.2	0	0	112.7	S330 K331 G332 M335	E282-S330 PolarHBondContact N-O 2.65Å; E282-K331 HydrophobicContact CG-CB 4.23Å; E282-K331 HydrophobicContact CG-CG 4.23Å; E282-K331 WeakPolarHBondContact OE2-CA 3.22Å; E282-G332 PolarHBondContact OE2-N 3.4Å; E282-M335 HydrophobicContact CB-CE 4.41Å; E282-M335 WeakPolarHBondContact OE2-CE 3.32Å
283	K	94.2	Very high	96.6	Very high	96 Å²	96	43.5 Å²	43.5	42%	0.417	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.3	176.2	-68.8	-170.1	-162.3	148.7	0	110.4	A329 S330 M335	K283-A329 CarbonylContact O-C 3.48Å; K283-A329 WeakPolarHBondContact O-CA 3.31Å; K283-S330 PolarHBondContact N-O 3.49Å; K283-S330 PolarHBondContact O-N 2.78Å; K283-M335 HydrophobicContact CB-SD 3.87Å; K283-M335 HydrophobicContact CD-CB 4.08Å; K283-M335 HydrophobicContact CD-CE 4.42Å; K283-M335 HydrophobicContact CD-CG 4.29Å; K283-M335 HydrophobicContact CD-SD 3.15Å; K283-M335 WeakPolarHBondContact CD-SD 3.21Å; K283-M335 WeakPolarHBondContact CE-SD 3.01Å; K283-M335 HydrophobicContact CG-CE 4.5Å; K283-M335 HydrophobicContact CG-SD 3.37Å; K283-M335 WeakPolarHBondContact CG-SD 3.4Å; K283-M335 PolarHBondContact NZ-SD 3.25Å
284	V	95.1	Very high	96.4	Very high	11 Å²	11	43.5 Å²	43.5	7%	0.067	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	123.9	178.9	-177.6	0	0	0	0	110.1	R273 L276 L277 W281 I328 A329	R273-V284 HydrophobicContact CG-CG1 4.23Å; R273-V284 PolarHBondContact NH1-O 2.85Å; L276-V284 HydrophobicContact CB-CG1 4.25Å; L276-V284 HydrophobicContact CB-CG2 3.62Å; L276-V284 HydrophobicContact CD1-CG1 3.68Å; L276-V284 HydrophobicContact CD1-CG2 4.43Å; L277-V284 HydrophobicContact CD2-CB 4.46Å; L277-V284 HydrophobicContact CD2-CG2 3.76Å; L277-V284 HydrophobicContact CG-CG2 3.91Å; W281-V284 HydrophobicContact CB-CG2 4.45Å; V284-I328 WeakPolarHBondContact CA-O 3.35Å; V284-A329 HydrophobicContact CG2-CB 4.02Å
285	T	94.6	Very high	96.1	Very high	63 Å²	63	47.8 Å²	47.8	39%	0.387	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	150.1	169.5	50.2	0	0	0	0	108.9	W287 A327 I328	T285-W287 VanDerWaalsContact OG1-CH2 3.29Å; T285-W287 WeakPolarHBondContact OG1-CH2 3.43Å; T285-W287 WeakPolarHBondContact OG1-CZ3 3.45Å; T285-A327 CarbonylContact O-C 3.48Å; T285-A327 WeakPolarHBondContact O-CA 3.37Å; T285-I328 PolarHBondContact N-O 2.7Å; T285-I328 PolarHBondContact O-N 3.14Å; T285-I328 PolarHBondContact OG1-O 3.23Å
286	H	95.5	Very high	95.8	Very high	32 Å²	32	47.6 Å²	47.6	15%	0.148	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	157.3	177.2	66	79.1	0	0	0	111.1	D269 R273 I325 F326 A327	D269-H286 IonicContact OD2-CE1 2.74Å; D269-H286 PolarHBondContact OD2-CE1 2.91Å; D269-H286 IonicContact OD2-ND1 2.75Å; D269-H286 PolarHBondContact OD2-ND1 3.49Å; R273-H286 VanDerWaalsContact CZ-CD2 3.44Å; R273-H286 VanDerWaalsContact CZ-NE2 3.34Å; R273-H286 PolarHBondContact NE-CD2 2.93Å; R273-H286 PolarHBondContact NE-NE2 2.82Å; R273-H286 PolarHBondContact NH2-CD2 3.15Å; R273-H286 PolarHBondContact NH2-NE2 2.93Å; H286-I325 HydrophobicContact CB-CD1 3.83Å; H286-I325 HydrophobicContact CB-CG1 3.95Å; H286-F326 CarbonylContact C-O 3.51Å; H286-F326 WeakPolarHBondContact CA-O 3.49Å; H286-F326 WeakPolarHBondContact CB-O 3.5Å; H286-A327 HydrophobicContact CB-CB 4.14Å
287	W	96.5	Very high	95.6	Very high	32 Å²	32	48.1 Å²	48.1	12%	0.121	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	138.4	177.2	-59.8	-94.6	0	0	0	108.9	T285 Y291 V292 F326 I328 F340	T285-W287 VanDerWaalsContact OG1-CH2 3.29Å; T285-W287 WeakPolarHBondContact OG1-CH2 3.43Å; T285-W287 WeakPolarHBondContact OG1-CZ3 3.45Å; W287-Y291 HydrophobicContact CB-CD1 4.4Å; W287-Y291 AromaticContact CD1-CD1 3.63Å; W287-Y291 AromaticContact CD1-CE1 3.63Å; W287-Y291 HydrophobicContact CG-CD1 4.38Å; W287-V292 HydrophobicContact CB-CG2 3.71Å; W287-V292 HydrophobicContact CG-CG2 4.5Å; W287-F326 PolarHBondContact N-O 3.07Å; W287-F326 PolarHBondContact O-N 3.22Å; W287-I328 HydrophobicContact CH2-CD1 4.38Å; W287-I328 HydrophobicContact CZ3-CB 4.27Å; W287-I328 HydrophobicContact CZ3-CD1 3.91Å; W287-I328 HydrophobicContact CZ3-CG1 4.07Å; W287-F340 HydrophobicContact CD2-CB 4.5Å; W287-F340 AromaticContact CD2-CD2 3.82Å; W287-F340 HydrophobicContact CD2-CD2 3.82Å; W287-F340 AromaticContact CE3-CD2 3.46Å; W287-F340 HydrophobicContact CE3-CD2 3.46Å; W287-F340 VanDerWaalsContact CE3-CD2 3.46Å; W287-F340 AromaticContact CE3-CE2 3.94Å; W287-F340 HydrophobicContact CE3-CE2 3.94Å; W287-F340 HydrophobicContact CG-CD2 4.39Å; W287-F340 HydrophobicContact CH2-CD2 4.41Å; W287-F340 AromaticContact CZ3-CD2 3.8Å; W287-F340 HydrophobicContact CZ3-CD2 3.8Å; W287-F340 HydrophobicContact CZ3-CE2 4.22Å
288	R	96.2	Very high	95.3	Very high	27 Å²	27	46.3 Å²	46.3	10%	0.102	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	146.1	168.6	-61.5	-58.7	-169.4	141.3	-9.6	109.8	A238 G239 D269 N290 Y291 V292 Q322 Y324	A238-R288 PolarHBondContact O-NH1 3.5Å; G239-R288 PolarHBondContact O-NH1 3.4Å; G239-R288 PolarHBondContact O-NH2 2.95Å; D269-R288 IonicContact OD1-CZ 3.14Å; D269-R288 IonicContact OD1-NE 3.03Å; D269-R288 PolarHBondContact OD1-NE 2.82Å; D269-R288 IonicContact OD1-NH2 2.97Å; D269-R288 PolarHBondContact OD1-NH2 3Å; D269-R288 IonicContact OD2-CZ 2.76Å; D269-R288 IonicContact OD2-NE 3.79Å; D269-R288 PolarHBondContact OD2-NE 2.91Å; D269-R288 VanDerWaalsContact OD2-NE 3.16Å; D269-R288 IonicContact OD2-NH2 2.72Å; R288-N290 WeakPolarHBondContact CB-OD1 3.34Å; R288-N290 PolarHBondContact O-N 3.34Å; R288-Y291 WeakPolarHBondContact O-CB 3.47Å; R288-Y291 PolarHBondContact O-N 3.13Å; R288-Y291 VanDerWaalsContact O-N 3.07Å; R288-V292 PolarHBondContact O-N 3.2Å; R288-V292 VanDerWaalsContact O-N 3.1Å; R288-Q322 WeakPolarHBondContact CD-O 3.31Å; R288-Q322 PolarHBondContact NH1-O 3.1Å; R288-Y324 WeakPolarHBondContact CA-O 3.18Å
289	A	97.3	Very high	95.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-27.5	-174.9	0	0	0	0	0	112.3	V76 Y235 V292 F293 L321 Y324 F326	V76-A289 HydrophobicContact CG1-CB 3.93Å; Y235-A289 HydrophobicContact CE2-CB 4.26Å; A289-V292 PolarHBondContact O-N 3.4Å; A289-F293 WeakPolarHBondContact O-CB 3.33Å; A289-F293 PolarHBondContact O-N 3.08Å; A289-L321 CarbonylContact C-O 3.52Å; A289-L321 WeakPolarHBondContact CA-O 3.38Å; A289-L321 HydrophobicContact CB-CB 4.43Å; A289-L321 HydrophobicContact CB-CD2 4.12Å; A289-L321 VanDerWaalsContact CB-O 3.3Å; A289-L321 WeakPolarHBondContact CB-O 3.44Å; A289-L321 PolarHBondContact N-O 3.12Å; A289-Y324 PolarHBondContact N-O 2.87Å; A289-F326 HydrophobicContact CB-CD2 4.32Å; A289-F326 HydrophobicContact CB-CE2 3.89Å
290	N	95.6	Very high	95	Very high	31 Å²	31	50 Å²	50	17%	0.166	26%	0.257	C	S	.	.	H	α-helix	trans	-65.7	-43.3	173.4	67.3	-41.2	0	0	0	111.5	R288 V292 F293 E294 L321	R288-N290 WeakPolarHBondContact CB-OD1 3.34Å; R288-N290 PolarHBondContact O-N 3.34Å; N290-V292 VanDerWaalsContact C-N 3.34Å; N290-V292 PolarHBondContact O-N 3.48Å; N290-F293 PolarHBondContact O-N 3.04Å; N290-E294 WeakPolarHBondContact O-CB 3.48Å; N290-E294 VanDerWaalsContact O-CG 3.29Å; N290-E294 WeakPolarHBondContact O-CG 3.48Å; N290-E294 PolarHBondContact O-N 3.3Å; N290-L321 HydrophobicContact CB-CB 3.63Å; N290-L321 PolarHBondContact N-O 3.1Å
291	Y	95.7	Very high	94.8	Very high	100 Å²	100	50 Å²	50	39%	0.392	25%	0.249	S	C	.	.	H	α-helix	trans	-60.9	-44.6	174.2	-178.4	-86.4	0	0	0	111	W287 R288 F293 E294 K295 C296	W287-Y291 HydrophobicContact CB-CD1 4.4Å; W287-Y291 AromaticContact CD1-CD1 3.63Å; W287-Y291 AromaticContact CD1-CE1 3.63Å; W287-Y291 HydrophobicContact CG-CD1 4.38Å; R288-Y291 WeakPolarHBondContact O-CB 3.47Å; R288-Y291 PolarHBondContact O-N 3.13Å; R288-Y291 VanDerWaalsContact O-N 3.07Å; Y291-F293 VanDerWaalsContact C-N 3.33Å; Y291-F293 PolarHBondContact O-N 3.08Å; Y291-E294 PolarHBondContact O-N 2.98Å; Y291-K295 HydrophobicContact CD1-CB 4.4Å; Y291-K295 HydrophobicContact CD2-CB 4.26Å; Y291-K295 HydrophobicContact CD2-CG 3.88Å; Y291-K295 HydrophobicContact CE1-CB 4.15Å; Y291-K295 HydrophobicContact CE2-CB 4.01Å; Y291-K295 HydrophobicContact CE2-CG 3.82Å; Y291-K295 HydrophobicContact CG-CB 4.45Å; Y291-K295 HydrophobicContact CG-CG 4.41Å; Y291-K295 WeakPolarHBondContact O-CB 3.17Å; Y291-K295 PolarHBondContact O-N 3.14Å; Y291-C296 VanDerWaalsContact CE1-SG 3.55Å
292	V	95.9	Very high	94.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.254	C	S	.	.	I	π-helix	trans	-59.5	-45.4	175.9	178.3	0	0	0	0	110.7	W287 R288 A289 N290 C296 F297 F326 F340 F343	W287-V292 HydrophobicContact CB-CG2 3.71Å; W287-V292 HydrophobicContact CG-CG2 4.5Å; R288-V292 PolarHBondContact O-N 3.2Å; R288-V292 VanDerWaalsContact O-N 3.1Å; A289-V292 PolarHBondContact O-N 3.4Å; N290-V292 VanDerWaalsContact C-N 3.34Å; N290-V292 PolarHBondContact O-N 3.48Å; V292-C296 HydrophobicContact CG1-CB 4.2Å; V292-C296 WeakPolarHBondContact O-CB 3.35Å; V292-C296 PolarHBondContact O-N 3.36Å; V292-C296 VanDerWaalsContact O-N 3.16Å; V292-F297 HydrophobicContact CG1-CD2 4.29Å; V292-F297 HydrophobicContact CG1-CE2 3.86Å; V292-F297 WeakPolarHBondContact O-CD2 3.01Å; V292-F297 PolarHBondContact O-N 2.93Å; V292-F326 HydrophobicContact CB-CD2 4.36Å; V292-F326 HydrophobicContact CB-CE2 4.27Å; V292-F326 HydrophobicContact CG1-CE2 4.33Å; V292-F326 HydrophobicContact CG2-CD2 3.76Å; V292-F326 HydrophobicContact CG2-CE2 4.16Å; V292-F340 HydrophobicContact CB-CD1 4.49Å; V292-F340 HydrophobicContact CG1-CD1 3.58Å; V292-F340 HydrophobicContact CG1-CE1 3.99Å; V292-F340 HydrophobicContact CG1-CG 4.28Å; V292-F340 HydrophobicContact CG2-CB 4.3Å; V292-F340 HydrophobicContact CG2-CD1 4.03Å; V292-F340 HydrophobicContact CG2-CD2 4.36Å; V292-F340 HydrophobicContact CG2-CE1 4.47Å; V292-F340 HydrophobicContact CG2-CG 3.97Å; V292-F343 HydrophobicContact CG1-CZ 4.45Å
293	F	94.8	Very high	94.7	Very high	7 Å²	7	51.8 Å²	51.8	3%	0.031	25%	0.254	C	S	.	.	I	π-helix	trans	-61.8	-47.5	178.5	-172.4	-126.1	0	0	0	113.2	F75 V76 A289 N290 Y291 F297 V302 I305 L317 L321	F75-F293 HydrophobicContact CD1-CE2 4.31Å; F75-F293 HydrophobicContact CE1-CD2 4.48Å; F75-F293 HydrophobicContact CE1-CE2 4.25Å; V76-F293 HydrophobicContact CG1-CB 4.43Å; V76-F293 HydrophobicContact CG2-CB 3.67Å; V76-F293 HydrophobicContact CG2-CD2 3.4Å; V76-F293 VanDerWaalsContact CG2-CD2 3.4Å; V76-F293 HydrophobicContact CG2-CE2 4.21Å; V76-F293 HydrophobicContact CG2-CG 3.65Å; A289-F293 WeakPolarHBondContact O-CB 3.33Å; A289-F293 PolarHBondContact O-N 3.08Å; N290-F293 PolarHBondContact O-N 3.04Å; Y291-F293 VanDerWaalsContact C-N 3.33Å; Y291-F293 PolarHBondContact O-N 3.08Å; F293-F297 HydrophobicContact CD2-CD2 4.34Å; F293-V302 HydrophobicContact CE1-CG1 4.39Å; F293-V302 HydrophobicContact CE2-CG1 4.44Å; F293-V302 HydrophobicContact CZ-CG1 4.09Å; F293-V302 VanDerWaalsContact O-CG2 3.25Å; F293-V302 WeakPolarHBondContact O-CG2 3.31Å; F293-I305 HydrophobicContact CE2-CB 4.46Å; F293-I305 HydrophobicContact CE2-CG2 4.1Å; F293-I305 HydrophobicContact CZ-CG2 4.09Å; F293-L317 HydrophobicContact CE1-CD2 4.48Å; F293-L321 HydrophobicContact CB-CD1 3.92Å; F293-L321 HydrophobicContact CD1-CD1 3.8Å; F293-L321 HydrophobicContact CG-CD1 4.05Å
294	E	92.6	Very high	94.9	Very high	100 Å²	100	52.2 Å²	52.2	47%	0.467	25%	0.253	S	S	.	.	I	π-helix	trans	-85.6	-31.2	-169.5	-68.4	172.5	-167.3	0	0	114.1	N290 Y291	N290-E294 WeakPolarHBondContact O-CB 3.48Å; N290-E294 VanDerWaalsContact O-CG 3.29Å; N290-E294 WeakPolarHBondContact O-CG 3.48Å; N290-E294 PolarHBondContact O-N 3.3Å; Y291-E294 PolarHBondContact O-N 2.98Å
295	K	92.3	Very high	95	Very high	143 Å²	143	51.7 Å²	51.7	62%	0.622	25%	0.249	S	C	*	.	I	π-helix	trans	-117.6	-21.7	-169	-54.8	-58	176.7	-170	0	113.7	Y291	Y291-K295 HydrophobicContact CD1-CB 4.4Å; Y291-K295 HydrophobicContact CD2-CB 4.26Å; Y291-K295 HydrophobicContact CD2-CG 3.88Å; Y291-K295 HydrophobicContact CE1-CB 4.15Å; Y291-K295 HydrophobicContact CE2-CB 4.01Å; Y291-K295 HydrophobicContact CE2-CG 3.82Å; Y291-K295 HydrophobicContact CG-CB 4.45Å; Y291-K295 HydrophobicContact CG-CG 4.41Å; Y291-K295 WeakPolarHBondContact O-CB 3.17Å; Y291-K295 PolarHBondContact O-N 3.14Å
296	C	93.2	Very high	95	Very high	9 Å²	9	53.3 Å²	53.3	6%	0.061	25%	0.253	C	S	.	.	I	π-helix	trans	-101.7	-43.7	-173.9	-60.8	0	0	0	0	112.6	Y291 V292 F340 F343	Y291-C296 VanDerWaalsContact CE1-SG 3.55Å; V292-C296 HydrophobicContact CG1-CB 4.2Å; V292-C296 WeakPolarHBondContact O-CB 3.35Å; V292-C296 PolarHBondContact O-N 3.36Å; V292-C296 VanDerWaalsContact O-N 3.16Å; C296-F340 HydrophobicContact CB-CB 4.02Å; C296-F340 WeakPolarHBondContact CB-O 3.25Å; C296-F340 PolarHBondContact SG-O 3.25Å; C296-F343 VanDerWaalsContact C-CD2 3.49Å; C296-F343 HydrophobicContact CB-CD2 3.73Å; C296-F343 HydrophobicContact CB-CE2 3.49Å; C296-F343 VanDerWaalsContact CB-CE2 3.49Å; C296-F343 HydrophobicContact CB-CZ 4.43Å; C296-F343 WeakPolarHBondContact O-CB 3.43Å; C296-F343 WeakPolarHBondContact O-CD2 3.25Å; C296-F343 WeakPolarHBondContact O-CG 3.48Å
297	F	93.5	Very high	95	Very high	13 Å²	13	60 Å²	60	6%	0.057	28%	0.282	C	S	.	.	S	Bend	trans	-66.2	147.1	176.8	-77.5	-76.6	0	0	0	112.8	F75 V76 K79 V292 F293 S299 T301 V302 F343	F75-F297 HydrophobicContact CE1-CE1 4.3Å; F75-F297 HydrophobicContact CE1-CE2 4.3Å; F75-F297 HydrophobicContact CE1-CZ 4.18Å; F75-F297 HydrophobicContact CZ-CD1 4.49Å; F75-F297 HydrophobicContact CZ-CE1 4.28Å; V76-F297 HydrophobicContact CG1-CE2 4.49Å; K79-F297 HydrophobicContact CB-CE1 3.58Å; K79-F297 HydrophobicContact CB-CZ 3.54Å; V292-F297 HydrophobicContact CG1-CD2 4.29Å; V292-F297 HydrophobicContact CG1-CE2 3.86Å; V292-F297 WeakPolarHBondContact O-CD2 3.01Å; V292-F297 PolarHBondContact O-N 2.93Å; F293-F297 HydrophobicContact CD2-CD2 4.34Å; F297-S299 PolarHBondContact O-N 3.43Å; F297-T301 HydrophobicContact CD1-CG2 4.32Å; F297-V302 HydrophobicContact CB-CG2 3.82Å; F297-F343 AromaticContact CD1-CD1 3.93Å; F297-F343 HydrophobicContact CD1-CD1 3.93Å; F297-F343 AromaticContact CD1-CE1 3.53Å; F297-F343 HydrophobicContact CD1-CE1 3.53Å; F297-F343 HydrophobicContact CD1-CZ 4.24Å; F297-F343 HydrophobicContact CE1-CD1 4.2Å; F297-F343 AromaticContact CE1-CE1 3.39Å; F297-F343 HydrophobicContact CE1-CE1 3.39Å; F297-F343 HydrophobicContact CE1-CZ 4.03Å; F297-F343 HydrophobicContact CG-CE1 4.22Å; F297-F343 HydrophobicContact CZ-CE1 4.02Å; F297-F343 HydrophobicContact CZ-CZ 4.21Å
298	P	92.8	Very high	95	Very high	45 Å²	45	60.9 Å²	60.9	29%	0.292	29%	0.288	S	S	.	.			trans	-56.4	139.4	174.1	-25.5	34.7	0	0	0	111.9	D300 T301 V302 F343	P298-D300 PolarHBondContact O-N 3.47Å; P298-D300 VanDerWaalsContact O-N 3.15Å; P298-T301 WeakPolarHBondContact O-CA 3.46Å; P298-T301 VanDerWaalsContact O-CB 3.3Å; P298-T301 WeakPolarHBondContact O-CB 3.42Å; P298-T301 PolarHBondContact O-N 3.37Å; P298-V302 PolarHBondContact O-N 2.91Å; P298-F343 HydrophobicContact CG-CB 4.22Å
299	S	93.2	Very high	95	Very high	81 Å²	81	61.4 Å²	61.4	57%	0.566	29%	0.292	S	S	*	.	H	α-helix	trans	-58	-34.4	-174.8	-53.9	0	0	0	0	113.5	F297 T301 V302 R303	F297-S299 PolarHBondContact O-N 3.43Å; S299-T301 VanDerWaalsContact C-N 3.35Å; S299-V302 PolarHBondContact O-N 3.3Å; S299-R303 WeakPolarHBondContact O-CB 3.35Å; S299-R303 WeakPolarHBondContact O-CG 3.42Å; S299-R303 PolarHBondContact O-N 2.87Å
300	D	95	Very high	94.9	Very high	112 Å²	112	70 Å²	70	60%	0.599	33%	0.329	S	S	*	.	H	α-helix	trans	-66.9	-35.3	174.4	-76	-37.7	0	0	0	113	P298 R303 R304	P298-D300 PolarHBondContact O-N 3.47Å; P298-D300 VanDerWaalsContact O-N 3.15Å; D300-R303 IonicContact OD1-CZ 3.65Å; D300-R303 IonicContact OD1-NE 2.79Å; D300-R303 PolarHBondContact OD1-NE 2.97Å; D300-R303 IonicContact OD1-NH2 2.89Å; D300-R303 PolarHBondContact OD1-NH2 3.4Å; D300-R304 VanDerWaalsContact O-CB 3.31Å; D300-R304 WeakPolarHBondContact O-CB 3.42Å; D300-R304 PolarHBondContact O-N 3.13Å
301	T	95.1	Very high	94.7	Very high	38 Å²	38	69.8 Å²	69.8	23%	0.233	33%	0.328	C	S	.	.	H	α-helix	trans	-65.2	-48.8	173.7	-67	0	0	0	0	110.1	F75 F297 P298 S299 R303 R304 I305	F75-T301 HydrophobicContact CE1-CG2 4.35Å; F75-T301 HydrophobicContact CE2-CG2 4.46Å; F75-T301 HydrophobicContact CZ-CG2 3.59Å; F297-T301 HydrophobicContact CD1-CG2 4.32Å; P298-T301 WeakPolarHBondContact O-CA 3.46Å; P298-T301 VanDerWaalsContact O-CB 3.3Å; P298-T301 WeakPolarHBondContact O-CB 3.42Å; P298-T301 PolarHBondContact O-N 3.37Å; S299-T301 VanDerWaalsContact C-N 3.35Å; T301-R303 PolarHBondContact O-N 3.02Å; T301-R304 WeakPolarHBondContact O-CB 3.42Å; T301-R304 PolarHBondContact O-N 2.9Å; T301-I305 HydrophobicContact CG2-CG1 4.4Å; T301-I305 WeakPolarHBondContact O-CG1 3.43Å; T301-I305 PolarHBondContact O-N 3.04Å
302	V	94.7	Very high	94.5	Very high	18 Å²	18	70 Å²	70	11%	0.109	34%	0.336	C	S	.	.	H	α-helix	trans	-58.7	-47.8	177.8	179.1	0	0	0	0	111	F293 F297 P298 S299 R304 I305 Q306	F293-V302 HydrophobicContact CE1-CG1 4.39Å; F293-V302 HydrophobicContact CE2-CG1 4.44Å; F293-V302 HydrophobicContact CZ-CG1 4.09Å; F293-V302 VanDerWaalsContact O-CG2 3.25Å; F293-V302 WeakPolarHBondContact O-CG2 3.31Å; F297-V302 HydrophobicContact CB-CG2 3.82Å; P298-V302 PolarHBondContact O-N 2.91Å; S299-V302 PolarHBondContact O-N 3.3Å; V302-R304 VanDerWaalsContact C-N 3.32Å; V302-R304 PolarHBondContact O-N 3.27Å; V302-I305 PolarHBondContact O-N 2.76Å; V302-Q306 HydrophobicContact CG1-CG 4.35Å; V302-Q306 WeakPolarHBondContact O-CB 3.27Å; V302-Q306 WeakPolarHBondContact O-CG 3.36Å; V302-Q306 PolarHBondContact O-N 3.41Å
303	R	95.5	Very high	94.2	Very high	129 Å²	129	73.9 Å²	73.9	49%	0.487	35%	0.354	S	S	.	.	H	α-helix	trans	-59.1	-40.2	176.2	-78.6	-168.7	-73.6	-108.5	8.1	112.8	S299 D300 T301 K307	S299-R303 WeakPolarHBondContact O-CB 3.35Å; S299-R303 WeakPolarHBondContact O-CG 3.42Å; S299-R303 PolarHBondContact O-N 2.87Å; D300-R303 IonicContact OD1-CZ 3.65Å; D300-R303 IonicContact OD1-NE 2.79Å; D300-R303 PolarHBondContact OD1-NE 2.97Å; D300-R303 IonicContact OD1-NH2 2.89Å; D300-R303 PolarHBondContact OD1-NH2 3.4Å; T301-R303 PolarHBondContact O-N 3.02Å; R303-K307 VanDerWaalsContact O-CG 3.31Å; R303-K307 WeakPolarHBondContact O-CG 3.28Å; R303-K307 PolarHBondContact O-N 3.02Å
304	R	97.2	Very high	94	Very high	105 Å²	105	77.3 Å²	77.3	40%	0.396	38%	0.377	S	S	.	.	H	α-helix	trans	-63.4	-50.5	176.5	-178.1	-176.4	64.7	80.3	0.6	110.5	G47 Y48 D300 T301 V302 Q306 K307 I308	G47-R304 PolarHBondContact O-NH1 2.96Å; Y48-R304 PolarHBondContact O-NH1 3.48Å; Y48-R304 PolarHBondContact O-NH2 3.25Å; D300-R304 VanDerWaalsContact O-CB 3.31Å; D300-R304 WeakPolarHBondContact O-CB 3.42Å; D300-R304 PolarHBondContact O-N 3.13Å; T301-R304 WeakPolarHBondContact O-CB 3.42Å; T301-R304 PolarHBondContact O-N 2.9Å; V302-R304 VanDerWaalsContact C-N 3.32Å; V302-R304 PolarHBondContact O-N 3.27Å; R304-Q306 VanDerWaalsContact C-N 3.34Å; R304-Q306 PolarHBondContact O-N 3.38Å; R304-K307 PolarHBondContact O-N 3.37Å; R304-K307 VanDerWaalsContact O-N 3.13Å; R304-I308 WeakPolarHBondContact O-CG1 3.46Å
305	I	96.9	Very high	94	Very high	0 Å²	0	77.9 Å²	77.9	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-60.7	-42.5	-179.2	-66.1	-49.8	0	0	0	111.9	Y48 R72 F75 F293 T301 V302 K307 I308	Y48-I305 HydrophobicContact CD1-CD1 3.84Å; Y48-I305 HydrophobicContact CD1-CG2 3.93Å; Y48-I305 HydrophobicContact CE1-CG2 3.66Å; Y48-I305 HydrophobicContact CG-CD1 4.42Å; Y48-I305 WeakPolarHBondContact O-CD1 3.33Å; R72-I305 HydrophobicContact CG-CG2 4.08Å; F75-I305 HydrophobicContact CD1-CD1 4.42Å; F75-I305 HydrophobicContact CD1-CG1 4.01Å; F75-I305 HydrophobicContact CD1-CG2 4.29Å; F75-I305 HydrophobicContact CD2-CD1 3.62Å; F75-I305 HydrophobicContact CD2-CG1 4.06Å; F75-I305 HydrophobicContact CE1-CD1 4.37Å; F75-I305 HydrophobicContact CE1-CG1 3.73Å; F75-I305 HydrophobicContact CE2-CD1 3.51Å; F75-I305 HydrophobicContact CE2-CG1 3.75Å; F75-I305 HydrophobicContact CG-CD1 4.1Å; F75-I305 HydrophobicContact CG-CG1 4.19Å; F75-I305 HydrophobicContact CZ-CD1 3.94Å; F75-I305 HydrophobicContact CZ-CG1 3.61Å; F293-I305 HydrophobicContact CE2-CB 4.46Å; F293-I305 HydrophobicContact CE2-CG2 4.1Å; F293-I305 HydrophobicContact CZ-CG2 4.09Å; T301-I305 HydrophobicContact CG2-CG1 4.4Å; T301-I305 WeakPolarHBondContact O-CG1 3.43Å; T301-I305 PolarHBondContact O-N 3.04Å; V302-I305 PolarHBondContact O-N 2.76Å; I305-K307 PolarHBondContact O-N 3.19Å; I305-K307 VanDerWaalsContact O-N 3.13Å; I305-I308 HydrophobicContact CD1-CD1 3.73Å; I305-I308 PolarHBondContact O-N 3.46Å
306	Q	94.6	Very high	94	Very high	98 Å²	98	71.9 Å²	71.9	46%	0.458	36%	0.357	S	S	.	.	H	α-helix	trans	-63.4	-17.7	178.4	-73.8	174.6	-27.4	0	0	114.2	R72 V302 R304	R72-Q306 PolarHBondContact NH2-O 3.39Å; V302-Q306 HydrophobicContact CG1-CG 4.35Å; V302-Q306 WeakPolarHBondContact O-CB 3.27Å; V302-Q306 WeakPolarHBondContact O-CG 3.36Å; V302-Q306 PolarHBondContact O-N 3.41Å; R304-Q306 VanDerWaalsContact C-N 3.34Å; R304-Q306 PolarHBondContact O-N 3.38Å
307	K	96.3	Very high	94	Very high	173 Å²	173	72 Å²	72	75%	0.752	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-11.6	-180	-72.3	175.7	-179.8	-175.4	0	114.4	R303 R304 I305	R303-K307 VanDerWaalsContact O-CG 3.31Å; R303-K307 WeakPolarHBondContact O-CG 3.28Å; R303-K307 PolarHBondContact O-N 3.02Å; R304-K307 PolarHBondContact O-N 3.37Å; R304-K307 VanDerWaalsContact O-N 3.13Å; I305-K307 PolarHBondContact O-N 3.19Å; I305-K307 VanDerWaalsContact O-N 3.13Å
308	I	97.1	Very high	94	Very high	49 Å²	49	73.6 Å²	73.6	25%	0.251	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-46.5	-174.6	-63.1	177.8	0	0	0	110.8	L46 Y48 R304 I305	L46-I308 HydrophobicContact CB-CG2 4.09Å; L46-I308 WeakPolarHBondContact O-CG2 3.38Å; Y48-I308 HydrophobicContact CD1-CD1 4.1Å; Y48-I308 HydrophobicContact CD2-CD1 3.97Å; Y48-I308 HydrophobicContact CD2-CG2 3.94Å; Y48-I308 HydrophobicContact CE1-CD1 4.43Å; Y48-I308 HydrophobicContact CE2-CB 4.13Å; Y48-I308 HydrophobicContact CE2-CD1 4.31Å; Y48-I308 HydrophobicContact CE2-CG2 3.59Å; Y48-I308 HydrophobicContact CG-CD1 3.86Å; R304-I308 WeakPolarHBondContact O-CG1 3.46Å; I305-I308 HydrophobicContact CD1-CD1 3.73Å; I305-I308 PolarHBondContact O-N 3.46Å
309	E	95.9	Very high	94	Very high	39 Å²	39	73.3 Å²	73.3	18%	0.182	36%	0.364	C	S	.	.	S	Bend	trans	-129.4	145.1	177.5	-72.4	170.8	110.9	0	0	109.9	L46 Y48 A68 H71 R72	L46-E309 HydrophobicContact CD1-CG 4.41Å; Y48-E309 WeakPolarHBondContact CE2-OE2 3.42Å; Y48-E309 VanDerWaalsContact CZ-OE2 3.24Å; Y48-E309 PolarHBondContact OH-OE2 2.77Å; A68-E309 HydrophobicContact CB-CB 3.82Å; H71-E309 WeakPolarHBondContact CB-OE2 3.48Å; H71-E309 IonicContact CE1-OE1 3.61Å; H71-E309 PolarHBondContact CE1-OE1 3.41Å; H71-E309 IonicContact CG-OE2 2.67Å; H71-E309 VanDerWaalsContact ND1-CD 3.29Å; H71-E309 IonicContact ND1-OE1 3.28Å; H71-E309 PolarHBondContact ND1-OE1 3.02Å; H71-E309 IonicContact ND1-OE2 3.17Å; H71-E309 PolarHBondContact ND1-OE2 3.22Å; R72-E309 PolarHBondContact NH2-O 2.81Å
310	F	94.2	Very high	94	Very high	179 Å²	179	70 Å²	70	79%	0.785	34%	0.34	S	S	*	.			trans	-65.8	132.7	167.8	-179.3	-106.5	0	0	0	109.5	D312	F310-D312 HydrophobicContact CD1-CB 4.29Å; F310-D312 HydrophobicContact CE1-CB 3.77Å
311	L	93.1	Very high	94.1	Very high	27 Å²	27	64.8 Å²	64.8	14%	0.141	31%	0.312	C	S	.	.			trans	-111.1	105.2	176.5	179.4	65.9	0	0	0	107.9	A68 E69 R72 P314 L317	A68-L311 HydrophobicContact CB-CD1 4.08Å; E69-L311 VanDerWaalsContact CD-CD1 3.48Å; E69-L311 HydrophobicContact CG-CD1 3.72Å; E69-L311 VanDerWaalsContact OE1-CD1 3.25Å; E69-L311 WeakPolarHBondContact OE1-CD1 3.44Å; R72-L311 VanDerWaalsContact NH1-CD2 3.26Å; L311-P314 HydrophobicContact CD2-CB 4.21Å; L311-L317 HydrophobicContact CD1-CB 4.47Å; L311-L317 HydrophobicContact CD2-CB 3.92Å; L311-L317 HydrophobicContact CD2-CD2 3.61Å; L311-L317 HydrophobicContact CD2-CG 4.43Å
312	D	90.4	Very high	94.1	Very high	105 Å²	105	66.6 Å²	66.6	56%	0.561	32%	0.318	S	S	*	.	S	Bend	trans	-74.9	-34.9	179.1	60	-22.9	0	0	0	112	F310 P314	F310-D312 HydrophobicContact CD1-CB 4.29Å; F310-D312 HydrophobicContact CE1-CB 3.77Å; D312-P314 VanDerWaalsContact O-CD 3.22Å; D312-P314 WeakPolarHBondContact O-CD 3.32Å
313	E	90.3	Very high	94.2	Very high	81 Å²	81	65.8 Å²	65.8	38%	0.379	31%	0.313	S	S	.	.			trans	-118.6	75.5	-174.9	-66.8	-70.5	178.5	0	0	112.4	I315 L316	E313-I315 PolarHBondContact O-N 3.26Å; E313-I315 VanDerWaalsContact O-N 3.1Å; E313-L316 HydrophobicContact CB-CB 4.17Å; E313-L316 HydrophobicContact CB-CD1 3.5Å; E313-L316 HydrophobicContact CB-CG 3.8Å; E313-L316 HydrophobicContact CG-CD1 3.93Å; E313-L316 WeakPolarHBondContact O-CB 3.39Å; E313-L316 PolarHBondContact O-N 2.91Å
314	P	90.8	Very high	94.3	Very high	79 Å²	79	60.6 Å²	60.6	51%	0.513	29%	0.294	S	S	.	.	H	α-helix	trans	-60.6	-26.3	-177.8	24.6	-34.7	0	0	0	114.1	L311 D312 L316 L317 S318	L311-P314 HydrophobicContact CD2-CB 4.21Å; D312-P314 VanDerWaalsContact O-CD 3.22Å; D312-P314 WeakPolarHBondContact O-CD 3.32Å; P314-L316 VanDerWaalsContact C-N 3.31Å; P314-L317 PolarHBondContact O-N 3.03Å; P314-S318 PolarHBondContact O-N 3.48Å; P314-S318 VanDerWaalsContact O-N 3.08Å
315	I	92.4	Very high	94.4	Very high	113 Å²	113	55.6 Å²	55.6	58%	0.579	28%	0.275	S	S	*	.	H	α-helix	trans	-65.9	-36.4	176.8	-63.9	172.1	0	0	0	110.6	E313 S318 Q319	E313-I315 PolarHBondContact O-N 3.26Å; E313-I315 VanDerWaalsContact O-N 3.1Å; I315-S318 PolarHBondContact O-N 3.3Å; I315-Q319 WeakPolarHBondContact O-CB 3.46Å; I315-Q319 PolarHBondContact O-N 3.23Å
316	L	91	Very high	94.4	Very high	16 Å²	16	55.6 Å²	55.6	8%	0.084	28%	0.275	C	S	.	.	H	α-helix	trans	-68.4	-40.6	179	-67	179	0	0	0	111.9	A7 E69 E313 P314 S318 Q319 L320	A7-L316 HydrophobicContact CB-CD1 3.28Å; A7-L316 HydrophobicContact CB-CD2 4.19Å; A7-L316 HydrophobicContact CB-CG 4.36Å; E69-L316 HydrophobicContact CG-CB 3.99Å; E313-L316 HydrophobicContact CB-CB 4.17Å; E313-L316 HydrophobicContact CB-CD1 3.5Å; E313-L316 HydrophobicContact CB-CG 3.8Å; E313-L316 HydrophobicContact CG-CD1 3.93Å; E313-L316 WeakPolarHBondContact O-CB 3.39Å; E313-L316 PolarHBondContact O-N 2.91Å; P314-L316 VanDerWaalsContact C-N 3.31Å; L316-S318 VanDerWaalsContact C-N 3.34Å; L316-Q319 PolarHBondContact O-N 3.4Å; L316-L320 WeakPolarHBondContact O-CB 3.4Å; L316-L320 PolarHBondContact O-N 2.54Å
317	L	94	Very high	94.6	Very high	12 Å²	12	51 Å²	51	6%	0.063	25%	0.253	C	S	.	.	H	α-helix	trans	-60.9	-46.3	172.2	176.9	62.2	0	0	0	111	E69 R72 F293 L311 P314 Q319 L320 L321	E69-L317 HydrophobicContact CB-CB 4.45Å; E69-L317 HydrophobicContact CB-CD1 4.46Å; E69-L317 HydrophobicContact CG-CB 3.96Å; R72-L317 HydrophobicContact CB-CD1 3.69Å; R72-L317 HydrophobicContact CB-CD2 4.24Å; F293-L317 HydrophobicContact CE1-CD2 4.48Å; L311-L317 HydrophobicContact CD1-CB 4.47Å; L311-L317 HydrophobicContact CD2-CB 3.92Å; L311-L317 HydrophobicContact CD2-CD2 3.61Å; L311-L317 HydrophobicContact CD2-CG 4.43Å; P314-L317 PolarHBondContact O-N 3.03Å; L317-Q319 VanDerWaalsContact C-N 3.33Å; L317-Q319 PolarHBondContact O-N 3.48Å; L317-L320 PolarHBondContact O-N 3.01Å; L317-L321 HydrophobicContact CD1-CD1 3.75Å; L317-L321 HydrophobicContact CD1-CG 3.81Å; L317-L321 HydrophobicContact CG-CD1 3.94Å; L317-L321 HydrophobicContact CG-CG 4.31Å; L317-L321 WeakPolarHBondContact O-CB 3.25Å; L317-L321 WeakPolarHBondContact O-CG 3.49Å; L317-L321 PolarHBondContact O-N 3.01Å
318	S	93.2	Very high	94.6	Very high	46 Å²	46	43.2 Å²	43.2	32%	0.322	22%	0.22	S	C	.	.	H	α-helix	trans	-59.3	-46.5	178.7	-174.6	0	0	0	0	110.9	P314 I315 L316 L321 Q322	P314-S318 PolarHBondContact O-N 3.48Å; P314-S318 VanDerWaalsContact O-N 3.08Å; I315-S318 PolarHBondContact O-N 3.3Å; L316-S318 VanDerWaalsContact C-N 3.34Å; S318-L321 PolarHBondContact O-N 3.47Å; S318-Q322 WeakPolarHBondContact O-CB 3.16Å; S318-Q322 PolarHBondContact O-N 2.93Å
319	Q	92.7	Very high	94.5	Very high	40 Å²	40	40.9 Å²	40.9	19%	0.187	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-46.5	176.7	-171.5	177.1	-4.9	0	0	111.5	L8 F245 I315 L316 L317 L321 Q322 H323	L8-Q319 HydrophobicContact CD2-CG 4.26Å; F245-Q319 HydrophobicContact CD2-CG 4.25Å; I315-Q319 WeakPolarHBondContact O-CB 3.46Å; I315-Q319 PolarHBondContact O-N 3.23Å; L316-Q319 PolarHBondContact O-N 3.4Å; L317-Q319 VanDerWaalsContact C-N 3.33Å; L317-Q319 PolarHBondContact O-N 3.48Å; Q319-L321 PolarHBondContact O-N 2.97Å; Q319-Q322 PolarHBondContact O-N 3.43Å; Q319-H323 PolarHBondContact O-N 3.24Å; Q319-H323 PolarHBondContact O-ND1 3.44Å
320	L	94	Very high	94.5	Very high	11 Å²	11	39.4 Å²	39.4	6%	0.058	20%	0.202	C	C	.	.	H	α-helix	trans	-55.6	-53	175.7	175.1	64.9	0	0	0	110.9	F12 E69 L316 L317 Q322 H323 Y324	F12-L320 HydrophobicContact CE1-CD1 4.13Å; F12-L320 HydrophobicContact CE2-CD1 4.16Å; F12-L320 HydrophobicContact CZ-CD1 3.44Å; F12-L320 VanDerWaalsContact CZ-CD1 3.44Å; E69-L320 HydrophobicContact CB-CD2 4.25Å; E69-L320 VanDerWaalsContact O-CD2 3.32Å; E69-L320 WeakPolarHBondContact O-CD2 3.49Å; L316-L320 WeakPolarHBondContact O-CB 3.4Å; L316-L320 PolarHBondContact O-N 2.54Å; L317-L320 PolarHBondContact O-N 3.01Å; L320-Q322 VanDerWaalsContact C-N 3.35Å; L320-Q322 PolarHBondContact O-N 3.13Å; L320-H323 PolarHBondContact O-N 2.74Å; L320-Y324 HydrophobicContact CD1-CD2 4.24Å; L320-Y324 HydrophobicContact CD1-CE2 3.86Å; L320-Y324 WeakPolarHBondContact O-CD2 3.44Å
321	L	96.4	Very high	94.5	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-71.3	-27.8	-176.1	-68.5	-177.8	0	0	0	113.4	V76 A289 N290 F293 L317 S318 Q319 H323	V76-L321 HydrophobicContact CB-CD2 3.97Å; V76-L321 HydrophobicContact CG1-CD2 4.15Å; V76-L321 HydrophobicContact CG2-CD1 4.31Å; V76-L321 HydrophobicContact CG2-CD2 3.91Å; A289-L321 CarbonylContact C-O 3.52Å; A289-L321 WeakPolarHBondContact CA-O 3.38Å; A289-L321 HydrophobicContact CB-CB 4.43Å; A289-L321 HydrophobicContact CB-CD2 4.12Å; A289-L321 VanDerWaalsContact CB-O 3.3Å; A289-L321 WeakPolarHBondContact CB-O 3.44Å; A289-L321 PolarHBondContact N-O 3.12Å; N290-L321 HydrophobicContact CB-CB 3.63Å; N290-L321 PolarHBondContact N-O 3.1Å; F293-L321 HydrophobicContact CB-CD1 3.92Å; F293-L321 HydrophobicContact CD1-CD1 3.8Å; F293-L321 HydrophobicContact CG-CD1 4.05Å; L317-L321 HydrophobicContact CD1-CD1 3.75Å; L317-L321 HydrophobicContact CD1-CG 3.81Å; L317-L321 HydrophobicContact CG-CD1 3.94Å; L317-L321 HydrophobicContact CG-CG 4.31Å; L317-L321 WeakPolarHBondContact O-CB 3.25Å; L317-L321 WeakPolarHBondContact O-CG 3.49Å; L317-L321 PolarHBondContact O-N 3.01Å; S318-L321 PolarHBondContact O-N 3.47Å; Q319-L321 PolarHBondContact O-N 2.97Å; L321-H323 PolarHBondContact O-N 2.97Å
322	Q	96	Very high	94.3	Very high	76 Å²	76	32.7 Å²	32.7	36%	0.355	18%	0.176	S	C	.	.	H	α-helix	trans	-67.7	-28	173.3	-175.6	175.9	1.5	0	0	111.6	T240 R288 S318 Q319 L320	T240-Q322 HydrophobicContact CG2-CG 3.97Å; R288-Q322 WeakPolarHBondContact CD-O 3.31Å; R288-Q322 PolarHBondContact NH1-O 3.1Å; S318-Q322 WeakPolarHBondContact O-CB 3.16Å; S318-Q322 PolarHBondContact O-N 2.93Å; Q319-Q322 PolarHBondContact O-N 3.43Å; L320-Q322 VanDerWaalsContact C-N 3.35Å; L320-Q322 PolarHBondContact O-N 3.13Å
323	H	97.1	Very high	93.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	20.1	-177.2	-70.9	89.5	0	0	0	114.7	P237 A238 T240 D243 F245 Q319 L320 L321	P237-H323 CarbonylContact C-O 3.28Å; P237-H323 WeakPolarHBondContact CA-O 3.35Å; A238-H323 PolarHBondContact N-O 3.13Å; A238-H323 CarbonylContact O-C 3.35Å; A238-H323 VanDerWaalsContact O-CA 3.26Å; A238-H323 WeakPolarHBondContact O-CA 3.41Å; A238-H323 PolarHBondContact O-CD2 3.48Å; T240-H323 WeakPolarHBondContact CG2-NE2 3.46Å; D243-H323 IonicContact OD1-CE1 3.51Å; D243-H323 IonicContact OD1-NE2 2.93Å; D243-H323 PolarHBondContact OD1-NE2 3.46Å; D243-H323 IonicContact OD2-CE1 2.7Å; D243-H323 PolarHBondContact OD2-CE1 2.61Å; D243-H323 IonicContact OD2-NE2 2.89Å; D243-H323 PolarHBondContact OD2-NE2 2.79Å; F245-H323 WeakPolarHBondContact CB-CD2 3.36Å; F245-H323 WeakPolarHBondContact CB-NE2 3.37Å; F245-H323 HydrophobicContact CD1-CB 3.38Å; F245-H323 AromaticContact CD1-CD2 3.46Å; F245-H323 VanDerWaalsContact CD1-CD2 3.46Å; F245-H323 WeakPolarHBondContact CD1-CD2 3.48Å; F245-H323 AromaticContact CD1-CG 3.41Å; F245-H323 VanDerWaalsContact CD1-CG 3.41Å; F245-H323 HydrophobicContact CD2-CB 3.92Å; F245-H323 AromaticContact CD2-CG 3.67Å; F245-H323 AromaticContact CD2-ND1 3.77Å; F245-H323 HydrophobicContact CE1-CB 3.33Å; F245-H323 AromaticContact CE1-CG 3.91Å; F245-H323 HydrophobicContact CE2-CB 3.86Å; F245-H323 HydrophobicContact CG-CB 3.7Å; F245-H323 AromaticContact CG-CD2 3.4Å; F245-H323 WeakPolarHBondContact CG-CD2 3.38Å; F245-H323 AromaticContact CG-CG 3.28Å; F245-H323 AromaticContact CG-ND1 3.73Å; F245-H323 AromaticContact CG-NE2 3.89Å; F245-H323 HydrophobicContact CZ-CB 3.56Å; Q319-H323 PolarHBondContact O-N 3.24Å; Q319-H323 PolarHBondContact O-ND1 3.44Å; L320-H323 PolarHBondContact O-N 2.74Å; L321-H323 PolarHBondContact O-N 2.97Å
324	Y	97.9	Very high	92.4	Very high	21 Å²	21	39.3 Å²	39.3	8%	0.082	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	143.9	166.7	-84.3	-90	0	0	0	110	F12 Y235 E236 P237 R288 A289 L320	F12-Y324 HydrophobicContact CE1-CE2 4.03Å; F12-Y324 WeakPolarHBondContact CE1-OH 3.18Å; F12-Y324 AromaticContact CZ-CE2 3.87Å; F12-Y324 HydrophobicContact CZ-CE2 3.87Å; Y235-Y324 HydrophobicContact CD1-CD1 4.11Å; Y235-Y324 AromaticContact CE1-CD1 3.27Å; Y235-Y324 HydrophobicContact CE1-CD1 3.27Å; Y235-Y324 AromaticContact CE1-CE1 3.67Å; Y235-Y324 HydrophobicContact CE1-CE1 3.67Å; Y235-Y324 HydrophobicContact CE1-CG 4.12Å; Y235-Y324 HydrophobicContact CE2-CD1 4.06Å; Y235-Y324 HydrophobicContact CE2-CG 4.27Å; Y235-Y324 AromaticContact CZ-CD1 3.27Å; Y235-Y324 AromaticContact CZ-CG 3.64Å; Y235-Y324 WeakPolarHBondContact OH-CB 3.32Å; Y235-Y324 VanDerWaalsContact OH-CD1 3.28Å; Y235-Y324 WeakPolarHBondContact OH-CD1 3.47Å; Y235-Y324 VanDerWaalsContact OH-CG 3.24Å; E236-Y324 VanDerWaalsContact C-CD1 3.49Å; E236-Y324 WeakPolarHBondContact O-CA 3.3Å; E236-Y324 WeakPolarHBondContact O-CD1 3.48Å; P237-Y324 HydrophobicContact CB-CE1 4.02Å; P237-Y324 HydrophobicContact CG-CD1 4.45Å; P237-Y324 HydrophobicContact CG-CE1 3.64Å; R288-Y324 WeakPolarHBondContact CA-O 3.18Å; A289-Y324 PolarHBondContact N-O 2.87Å; L320-Y324 HydrophobicContact CD1-CD2 4.24Å; L320-Y324 HydrophobicContact CD1-CE2 3.86Å; L320-Y324 WeakPolarHBondContact O-CD2 3.44Å
325	I	97.8	Very high	90.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.4	-176.7	-160.4	166	0	0	0	110.3	Y235 E236 A238 F266 V272 H286	Y235-I325 VanDerWaalsContact CA-O 3.28Å; Y235-I325 WeakPolarHBondContact CA-O 3.21Å; E236-I325 PolarHBondContact N-O 3.04Å; E236-I325 VanDerWaalsContact N-O 3.16Å; E236-I325 PolarHBondContact O-N 2.82Å; A238-I325 HydrophobicContact CB-CB 3.94Å; A238-I325 HydrophobicContact CB-CG2 3.69Å; F266-I325 HydrophobicContact CD1-CG2 4.29Å; V272-I325 HydrophobicContact CB-CD1 4.4Å; V272-I325 HydrophobicContact CG1-CD1 4.34Å; V272-I325 HydrophobicContact CG2-CD1 4.19Å; V272-I325 HydrophobicContact CG2-CG2 4.4Å; H286-I325 HydrophobicContact CB-CD1 3.83Å; H286-I325 HydrophobicContact CB-CG1 3.95Å
326	F	98.1	Very high	89.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.3	159.9	-67	-90	0	0	0	107.6	V76 I81 L233 C234 Y235 H286 W287 A289 V292 F340	V76-F326 HydrophobicContact CG1-CE2 4.09Å; V76-F326 HydrophobicContact CG1-CZ 4.39Å; V76-F326 WeakPolarHBondContact O-CZ 3.22Å; I81-F326 HydrophobicContact CG1-CE1 4.09Å; L233-F326 HydrophobicContact CD1-CD1 4.4Å; C234-F326 CarbonylContact O-C 3.5Å; C234-F326 WeakPolarHBondContact O-CA 3.45Å; Y235-F326 AromaticContact CD2-CD1 3.61Å; Y235-F326 HydrophobicContact CD2-CD1 3.61Å; Y235-F326 AromaticContact CD2-CD2 3.89Å; Y235-F326 HydrophobicContact CD2-CD2 3.89Å; Y235-F326 AromaticContact CD2-CE1 3.37Å; Y235-F326 HydrophobicContact CD2-CE1 3.37Å; Y235-F326 AromaticContact CD2-CE2 3.67Å; Y235-F326 HydrophobicContact CD2-CE2 3.67Å; Y235-F326 AromaticContact CD2-CG 3.87Å; Y235-F326 HydrophobicContact CD2-CG 3.87Å; Y235-F326 AromaticContact CD2-CZ 3.41Å; Y235-F326 HydrophobicContact CD2-CZ 3.41Å; Y235-F326 VanDerWaalsContact CD2-CZ 3.41Å; Y235-F326 HydrophobicContact CE2-CD1 4.45Å; Y235-F326 HydrophobicContact CE2-CD2 4.08Å; Y235-F326 AromaticContact CE2-CE1 3.97Å; Y235-F326 HydrophobicContact CE2-CE1 3.97Å; Y235-F326 AromaticContact CE2-CE2 3.54Å; Y235-F326 HydrophobicContact CE2-CE2 3.54Å; Y235-F326 AromaticContact CE2-CZ 3.48Å; Y235-F326 HydrophobicContact CE2-CZ 3.48Å; Y235-F326 VanDerWaalsContact CE2-CZ 3.48Å; Y235-F326 HydrophobicContact CG-CD1 4.37Å; Y235-F326 HydrophobicContact CG-CE1 4.14Å; Y235-F326 HydrophobicContact CG-CZ 4.46Å; H286-F326 CarbonylContact C-O 3.51Å; H286-F326 WeakPolarHBondContact CA-O 3.49Å; H286-F326 WeakPolarHBondContact CB-O 3.5Å; W287-F326 PolarHBondContact N-O 3.07Å; W287-F326 PolarHBondContact O-N 3.22Å; A289-F326 HydrophobicContact CB-CD2 4.32Å; A289-F326 HydrophobicContact CB-CE2 3.89Å; V292-F326 HydrophobicContact CB-CD2 4.36Å; V292-F326 HydrophobicContact CB-CE2 4.27Å; V292-F326 HydrophobicContact CG1-CE2 4.33Å; V292-F326 HydrophobicContact CG2-CD2 3.76Å; V292-F326 HydrophobicContact CG2-CE2 4.16Å; F326-F340 HydrophobicContact CB-CD2 4.47Å; F326-F340 HydrophobicContact CB-CE2 3.56Å; F326-F340 HydrophobicContact CB-CZ 3.78Å; F326-F340 HydrophobicContact CD1-CE1 4.18Å; F326-F340 HydrophobicContact CD1-CE2 4.14Å; F326-F340 AromaticContact CD1-CZ 3.43Å; F326-F340 HydrophobicContact CD1-CZ 3.43Å; F326-F340 VanDerWaalsContact CD1-CZ 3.43Å; F326-F340 HydrophobicContact CD2-CZ 4.34Å; F326-F340 HydrophobicContact CE1-CE1 4.38Å; F326-F340 HydrophobicContact CE1-CZ 4.04Å; F326-F340 HydrophobicContact CG-CE1 4.34Å; F326-F340 AromaticContact CG-CE2 3.92Å; F326-F340 HydrophobicContact CG-CE2 3.92Å; F326-F340 AromaticContact CG-CZ 3.59Å; F326-F340 HydrophobicContact CG-CZ 3.59Å
327	A	97.2	Very high	88.3	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.1	171.6	0	0	0	0	0	109.7	C234 V272 L276 T285 H286	C234-A327 HydrophobicContact CB-CB 4.34Å; C234-A327 PolarHBondContact N-O 2.91Å; C234-A327 PolarHBondContact O-N 3.11Å; V272-A327 HydrophobicContact CG1-CB 3.95Å; L276-A327 HydrophobicContact CD1-CB 3.81Å; T285-A327 CarbonylContact O-C 3.48Å; T285-A327 WeakPolarHBondContact O-CA 3.37Å; H286-A327 HydrophobicContact CB-CB 4.14Å
328	I	96.3	Very high	87.7	Confident	9 Å²	9	47.4 Å²	47.4	5%	0.046	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.9	170.4	-63.7	178.4	0	0	0	107.8	I84 I231 L232 L233 V284 T285 W287 L338 F340	I84-I328 HydrophobicContact CD1-CD1 3.8Å; I84-I328 HydrophobicContact CG1-CD1 4.14Å; I84-I328 HydrophobicContact CG2-CD1 4.11Å; I231-I328 HydrophobicContact CG2-CG2 3.75Å; L232-I328 CarbonylContact O-C 3.59Å; L232-I328 VanDerWaalsContact O-CA 3.25Å; L232-I328 WeakPolarHBondContact O-CA 3.48Å; L233-I328 HydrophobicContact CD1-CD1 4.4Å; L233-I328 HydrophobicContact CD1-CG1 3.83Å; V284-I328 WeakPolarHBondContact CA-O 3.35Å; T285-I328 PolarHBondContact N-O 2.7Å; T285-I328 PolarHBondContact O-N 3.14Å; T285-I328 PolarHBondContact OG1-O 3.23Å; W287-I328 HydrophobicContact CH2-CD1 4.38Å; W287-I328 HydrophobicContact CZ3-CB 4.27Å; W287-I328 HydrophobicContact CZ3-CD1 3.91Å; W287-I328 HydrophobicContact CZ3-CG1 4.07Å; I328-L338 HydrophobicContact CD1-CB 4.41Å; I328-F340 HydrophobicContact CD1-CE2 4.13Å
329	A	96.1	Very high	87.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150.8	173.2	0	0	0	0	0	110.2	I231 L232 L276 W281 K283 V284	I231-A329 CarbonylContact C-O 3.55Å; I231-A329 WeakPolarHBondContact CA-O 3.43Å; I231-A329 WeakPolarHBondContact CG2-O 3.5Å; L232-A329 HydrophobicContact CB-CB 4.26Å; L232-A329 PolarHBondContact N-O 2.63Å; L232-A329 PolarHBondContact O-N 2.76Å; L276-A329 HydrophobicContact CB-CB 4.38Å; L276-A329 HydrophobicContact CD1-CB 4.23Å; L276-A329 HydrophobicContact CD2-CB 4.31Å; W281-A329 HydrophobicContact CB-CB 3.79Å; W281-A329 HydrophobicContact CD2-CB 3.69Å; W281-A329 HydrophobicContact CE3-CB 3.79Å; W281-A329 HydrophobicContact CG-CB 3.7Å; K283-A329 CarbonylContact O-C 3.48Å; K283-A329 WeakPolarHBondContact O-CA 3.31Å; V284-A329 HydrophobicContact CG2-CB 4.02Å
330	S	95.5	Very high	86.6	Confident	8 Å²	8	44.8 Å²	44.8	6%	0.056	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	154.6	179.7	58.7	0	0	0	0	113.4	S230 E282 K283 M335	S230-S330 WeakPolarHBondContact O-CA 3.05Å; E282-S330 PolarHBondContact N-O 2.65Å; K283-S330 PolarHBondContact N-O 3.49Å; K283-S330 PolarHBondContact O-N 2.78Å; S330-M335 WeakPolarHBondContact OG-CG 3.48Å
331	K	94.1	Very high	85.2	Confident	49 Å²	49	49.5 Å²	49.5	21%	0.213	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	140.5	168.6	170	175.8	167.8	-169.3	0	109.7	V224 S230 E282	V224-K331 HydrophobicContact CG2-CB 3.75Å; V224-K331 HydrophobicContact CG2-CD 3.53Å; V224-K331 HydrophobicContact CG2-CG 4.29Å; V224-K331 VanDerWaalsContact O-CD 3.28Å; V224-K331 WeakPolarHBondContact O-CD 3.01Å; V224-K331 PolarHBondContact O-NZ 3.49Å; S230-K331 PolarHBondContact N-O 3.45Å; S230-K331 VanDerWaalsContact N-O 3.16Å; S230-K331 PolarHBondContact O-N 3.22Å; E282-K331 HydrophobicContact CG-CB 4.23Å; E282-K331 HydrophobicContact CG-CG 4.23Å; E282-K331 WeakPolarHBondContact OE2-CA 3.22Å
332	G	89	Confident	83.3	Confident	17 Å²	17	52 Å²	52	18%	0.175	25%	0.252	C	S	.	.	S	Bend	trans	94.6	-162.4	175	0	0	0	0	0	114.1	E282 Y334 M335	E282-G332 PolarHBondContact OE2-N 3.4Å; G332-Y334 PolarHBondContact O-N 2.89Å; G332-Y334 VanDerWaalsContact O-N 3.07Å; G332-M335 WeakPolarHBondContact O-CE 3.26Å; G332-M335 WeakPolarHBondContact O-CG 3.37Å
333	R	78	Confident	81.4	Confident	219 Å²	219	49.9 Å²	49.9	83%	0.826	24%	0.242	S	C	*	.	S	Bend	trans	-71.4	-10.4	-158.5	-67.3	-175.8	178.4	-179.4	0.7	115.5	N229	N229-R333 PolarHBondContact OD1-N 2.96Å
334	Y	62.9	Low	78.9	Confident	106 Å²	106	59.2 Å²	59.2	42%	0.416	30%	0.299	S	S	.	.			trans	-123.2	46	-157.1	-50.7	-81.5	0	0	0	116.7	Y92 N229 G332	Y92-Y334 HydrophobicContact CE1-CD1 4.01Å; Y92-Y334 HydrophobicContact CE1-CD2 4.47Å; Y92-Y334 HydrophobicContact CE1-CE1 4.35Å; Y92-Y334 HydrophobicContact CE1-CG 4.08Å; Y92-Y334 WeakPolarHBondContact OH-CB 3.3Å; N229-Y334 HydrophobicContact CB-CD2 3.9Å; N229-Y334 HydrophobicContact CB-CE2 3.95Å; N229-Y334 WeakPolarHBondContact OD1-CE2 3.36Å; G332-Y334 PolarHBondContact O-N 2.89Å; G332-Y334 VanDerWaalsContact O-N 3.07Å
335	M	55.4	Low	77.9	Confident	48 Å²	48	61.2 Å²	61.2	24%	0.236	31%	0.31	C	S	.	.			trans	-82.9	-24.3	-167	-49.1	-164.4	-144.2	0	0	115.9	E282 K283 S330 G332 R337	E282-M335 HydrophobicContact CB-CE 4.41Å; E282-M335 WeakPolarHBondContact OE2-CE 3.32Å; K283-M335 HydrophobicContact CB-SD 3.87Å; K283-M335 HydrophobicContact CD-CB 4.08Å; K283-M335 HydrophobicContact CD-CE 4.42Å; K283-M335 HydrophobicContact CD-CG 4.29Å; K283-M335 HydrophobicContact CD-SD 3.15Å; K283-M335 WeakPolarHBondContact CD-SD 3.21Å; K283-M335 WeakPolarHBondContact CE-SD 3.01Å; K283-M335 HydrophobicContact CG-CE 4.5Å; K283-M335 HydrophobicContact CG-SD 3.37Å; K283-M335 WeakPolarHBondContact CG-SD 3.4Å; K283-M335 PolarHBondContact NZ-SD 3.25Å; S330-M335 WeakPolarHBondContact OG-CG 3.48Å; G332-M335 WeakPolarHBondContact O-CE 3.26Å; G332-M335 WeakPolarHBondContact O-CG 3.37Å; M335-R337 PolarHBondContact O-N 3.11Å
336	N	61.8	Low	76.9	Confident	144 Å²	144	64.4 Å²	64.4	77%	0.77	33%	0.326	S	S	*	.	S	Bend	trans	-94.8	7.3	-156.8	-64.4	-8.3	0	0	0	115.6
337	R	70.1	Confident	75.7	Confident	182 Å²	182	67.9 Å²	67.9	69%	0.687	34%	0.344	S	S	*	.	S	Bend	trans	-110.9	-17.7	-169.1	-67.1	-169.5	-180	-176.7	1.1	116	V91 M335	V91-R337 HydrophobicContact CG2-CB 4.22Å; M335-R337 PolarHBondContact O-N 3.11Å
338	L	81.3	Confident	74.4	Confident	16 Å²	16	71.9 Å²	71.9	8%	0.084	36%	0.364	C	S	.	.			trans	-98.8	123.4	-178.8	-53.5	-168.3	0	0	0	110.2	I84 Q87 F88 I231 I328	I84-L338 HydrophobicContact CG2-CD1 4.1Å; Q87-L338 HydrophobicContact CB-CD2 3.66Å; F88-L338 HydrophobicContact CB-CD1 3.93Å; F88-L338 HydrophobicContact CB-CD2 4.26Å; F88-L338 HydrophobicContact CD2-CD1 4.29Å; I231-L338 HydrophobicContact CD1-CD1 3.56Å; I231-L338 HydrophobicContact CD1-CG 4.1Å; I231-L338 HydrophobicContact CG2-CD1 4.1Å; I328-L338 HydrophobicContact CD1-CB 4.41Å
339	S	82.5	Confident	73	Confident	30 Å²	30	75.8 Å²	75.8	21%	0.21	38%	0.384	C	S	.	.			trans	-158.5	147	-178.8	-173.7	0	0	0	0	110.1	Q87 I341	Q87-S339 PolarHBondContact NE2-O 3.14Å; Q87-S339 VanDerWaalsContact OE1-N 3.11Å; Q87-S339 PolarHBondContact OE1-O 2.61Å; Q87-S339 VanDerWaalsContact OE1-O 3.1Å; S339-I341 PolarHBondContact O-N 2.73Å; S339-I341 WeakPolarHBondContact OG-CB 3.38Å; S339-I341 PolarHBondContact OG-N 3.32Å
340	F	80.4	Confident	71.5	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	41%	0.409	C	S	.	.	S	Bend	trans	-74.6	-13.2	164.9	-67.4	-84.4	0	0	0	111.8	G80 I84 L233 W287 V292 C296 F326 I328 G342 F343	G80-F340 WeakPolarHBondContact O-CE1 3.46Å; I84-F340 HydrophobicContact CD1-CD1 4.21Å; I84-F340 HydrophobicContact CD1-CD2 4.07Å; I84-F340 HydrophobicContact CD1-CE1 3.99Å; I84-F340 HydrophobicContact CD1-CE2 3.86Å; I84-F340 HydrophobicContact CD1-CG 4.25Å; I84-F340 HydrophobicContact CD1-CZ 3.82Å; I84-F340 HydrophobicContact CG1-CD1 4.43Å; I84-F340 HydrophobicContact CG1-CD2 4.49Å; I84-F340 HydrophobicContact CG1-CE1 3.72Å; I84-F340 HydrophobicContact CG1-CE2 3.8Å; I84-F340 HydrophobicContact CG1-CZ 3.36Å; L233-F340 HydrophobicContact CD1-CZ 4.4Å; W287-F340 HydrophobicContact CD2-CB 4.5Å; W287-F340 AromaticContact CD2-CD2 3.82Å; W287-F340 HydrophobicContact CD2-CD2 3.82Å; W287-F340 AromaticContact CE3-CD2 3.46Å; W287-F340 HydrophobicContact CE3-CD2 3.46Å; W287-F340 VanDerWaalsContact CE3-CD2 3.46Å; W287-F340 AromaticContact CE3-CE2 3.94Å; W287-F340 HydrophobicContact CE3-CE2 3.94Å; W287-F340 HydrophobicContact CG-CD2 4.39Å; W287-F340 HydrophobicContact CH2-CD2 4.41Å; W287-F340 AromaticContact CZ3-CD2 3.8Å; W287-F340 HydrophobicContact CZ3-CD2 3.8Å; W287-F340 HydrophobicContact CZ3-CE2 4.22Å; V292-F340 HydrophobicContact CB-CD1 4.49Å; V292-F340 HydrophobicContact CG1-CD1 3.58Å; V292-F340 HydrophobicContact CG1-CE1 3.99Å; V292-F340 HydrophobicContact CG1-CG 4.28Å; V292-F340 HydrophobicContact CG2-CB 4.3Å; V292-F340 HydrophobicContact CG2-CD1 4.03Å; V292-F340 HydrophobicContact CG2-CD2 4.36Å; V292-F340 HydrophobicContact CG2-CE1 4.47Å; V292-F340 HydrophobicContact CG2-CG 3.97Å; C296-F340 HydrophobicContact CB-CB 4.02Å; C296-F340 WeakPolarHBondContact CB-O 3.25Å; C296-F340 PolarHBondContact SG-O 3.25Å; F326-F340 HydrophobicContact CB-CD2 4.47Å; F326-F340 HydrophobicContact CB-CE2 3.56Å; F326-F340 HydrophobicContact CB-CZ 3.78Å; F326-F340 HydrophobicContact CD1-CE1 4.18Å; F326-F340 HydrophobicContact CD1-CE2 4.14Å; F326-F340 AromaticContact CD1-CZ 3.43Å; F326-F340 HydrophobicContact CD1-CZ 3.43Å; F326-F340 VanDerWaalsContact CD1-CZ 3.43Å; F326-F340 HydrophobicContact CD2-CZ 4.34Å; F326-F340 HydrophobicContact CE1-CE1 4.38Å; F326-F340 HydrophobicContact CE1-CZ 4.04Å; F326-F340 HydrophobicContact CG-CE1 4.34Å; F326-F340 AromaticContact CG-CE2 3.92Å; F326-F340 HydrophobicContact CG-CE2 3.92Å; F326-F340 AromaticContact CG-CZ 3.59Å; F326-F340 HydrophobicContact CG-CZ 3.59Å; I328-F340 HydrophobicContact CD1-CE2 4.13Å; F340-G342 PolarHBondContact O-N 3.22Å; F340-F343 HydrophobicContact CB-CE2 4Å; F340-F343 AromaticContact CD1-CE2 3.69Å; F340-F343 HydrophobicContact CD1-CE2 3.69Å; F340-F343 AromaticContact CD1-CZ 3.77Å; F340-F343 HydrophobicContact CD1-CZ 3.77Å; F340-F343 HydrophobicContact CE1-CZ 4.41Å; F340-F343 HydrophobicContact CG-CE2 4.33Å; F340-F343 WeakPolarHBondContact O-CD2 3.21Å; F340-F343 WeakPolarHBondContact O-CE2 3.43Å
341	I	65.4	Low	69.8	Low	110 Å²	110	86.1 Å²	86.1	56%	0.564	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	118.3	177.5	-57.2	172.8	0	0	0	108.8	S339	S339-I341 PolarHBondContact O-N 2.73Å; S339-I341 WeakPolarHBondContact OG-CB 3.38Å; S339-I341 PolarHBondContact OG-N 3.32Å
342	G	57.6	Low	67.9	Low	55 Å²	55	88.9 Å²	88.9	57%	0.567	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	45.8	177.2	0	0	0	0	0	114.6	F340 V344	F340-G342 PolarHBondContact O-N 3.22Å; G342-V344 PolarHBondContact O-N 3.45Å
343	F	55.7	Low	66.2	Low	32 Å²	32	94.9 Å²	94.9	14%	0.14	48%	0.475	C	S	.	.			trans	-53.1	117.5	160	-73.5	-125.8	0	0	0	106.9	T83 V292 C296 F297 P298 F340	T83-F343 HydrophobicContact CG2-CD1 3.86Å; T83-F343 HydrophobicContact CG2-CD2 4.47Å; T83-F343 HydrophobicContact CG2-CE1 3.51Å; T83-F343 HydrophobicContact CG2-CE2 4.12Å; T83-F343 HydrophobicContact CG2-CG 4.35Å; T83-F343 HydrophobicContact CG2-CZ 3.64Å; T83-F343 WeakPolarHBondContact OG1-CE1 2.89Å; V292-F343 HydrophobicContact CG1-CZ 4.45Å; C296-F343 VanDerWaalsContact C-CD2 3.49Å; C296-F343 HydrophobicContact CB-CD2 3.73Å; C296-F343 HydrophobicContact CB-CE2 3.49Å; C296-F343 VanDerWaalsContact CB-CE2 3.49Å; C296-F343 HydrophobicContact CB-CZ 4.43Å; C296-F343 WeakPolarHBondContact O-CB 3.43Å; C296-F343 WeakPolarHBondContact O-CD2 3.25Å; C296-F343 WeakPolarHBondContact O-CG 3.48Å; F297-F343 AromaticContact CD1-CD1 3.93Å; F297-F343 HydrophobicContact CD1-CD1 3.93Å; F297-F343 AromaticContact CD1-CE1 3.53Å; F297-F343 HydrophobicContact CD1-CE1 3.53Å; F297-F343 HydrophobicContact CD1-CZ 4.24Å; F297-F343 HydrophobicContact CE1-CD1 4.2Å; F297-F343 AromaticContact CE1-CE1 3.39Å; F297-F343 HydrophobicContact CE1-CE1 3.39Å; F297-F343 HydrophobicContact CE1-CZ 4.03Å; F297-F343 HydrophobicContact CG-CE1 4.22Å; F297-F343 HydrophobicContact CZ-CE1 4.02Å; F297-F343 HydrophobicContact CZ-CZ 4.21Å; P298-F343 HydrophobicContact CG-CB 4.22Å; F340-F343 HydrophobicContact CB-CE2 4Å; F340-F343 AromaticContact CD1-CE2 3.69Å; F340-F343 HydrophobicContact CD1-CE2 3.69Å; F340-F343 AromaticContact CD1-CZ 3.77Å; F340-F343 HydrophobicContact CD1-CZ 3.77Å; F340-F343 HydrophobicContact CE1-CZ 4.41Å; F340-F343 HydrophobicContact CG-CE2 4.33Å; F340-F343 WeakPolarHBondContact O-CD2 3.21Å; F340-F343 WeakPolarHBondContact O-CE2 3.43Å
344	V	43.1	Very low	65.1	Low	197 Å²	197	83.6 Å²	83.6	100%	1.194	44%	0.443	S	S	*	.			trans	-89.8	0	166.4	-176.8	0	0	0	0	107.8	G342	G342-V344 PolarHBondContact O-N 3.45Å

Retrieved 344 of 344 residues in 327.1 ms (Link to these results)

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