A0A087YNK9_POEFO Loading...

Protein MEMO1

AlphaFold DB (A0A3B3UXB2), UniProt , Accession A0A087YNK9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 297 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	41.8	Very low	82.5	Confident	231 Å²	231	98.3 Å²	98.3	100%	1.138	53%	0.526	S	S	*	.				0	120.9	0	-67	171.6	-169	0	0	106.2	N3	M1-N3 PolarHBondContact O-N 2.97Å
2	S	46.5	Very low	83.8	Confident	120 Å²	120	92.2 Å²	92.2	84%	0.839	49%	0.492	S	S	*	.			trans	-63.9	107.9	176.7	172	0	0	0	0	107.3	R4	S2-R4 PolarHBondContact O-N 3.05Å
3	N	59.1	Low	85	Confident	154 Å²	154	87.3 Å²	87.3	82%	0.824	47%	0.473	S	S	*	.			trans	-65	103.3	171.1	-88.5	0.7	0	0	0	106.5	M1 V5	M1-N3 PolarHBondContact O-N 2.97Å; N3-V5 PolarHBondContact O-N 3.35Å
4	R	82.1	Confident	85.9	Confident	226 Å²	226	85.4 Å²	85.4	85%	0.853	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-64.9	124.9	177.3	-168.5	176.5	-177.5	-178.2	-0.5	107.6	S2 V6	S2-R4 PolarHBondContact O-N 3.05Å; R4-V6 PolarHBondContact O-N 3.32Å
5	V	89.3	Confident	86.7	Confident	88 Å²	88	85.7 Å²	85.7	53%	0.533	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-55.4	127.1	173.2	178.2	0	0	0	0	108.4	N3 D94 V95	N3-V5 PolarHBondContact O-N 3.35Å; V5-D94 HydrophobicContact CG1-CB 3.91Å; V5-V95 HydrophobicContact CG1-CG2 3.76Å
6	V	96	Very high	87.5	Confident	56 Å²	56	85.9 Å²	85.9	34%	0.339	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-91.1	121.6	177.2	-178.4	0	0	0	0	108.3	R4 A93 D94 V95	R4-V6 PolarHBondContact O-N 3.32Å; V6-A93 HydrophobicContact CG1-CB 4.19Å; V6-D94 PolarHBondContact N-OD2 3.06Å; V6-D94 PolarHBondContact O-N 2.88Å; V6-V95 PolarHBondContact O-N 3.24Å
7	C	98.3	Very high	88.1	Confident	46 Å²	46	81.5 Å²	81.5	31%	0.311	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.7	177.6	-60.9	0	0	0	0	109.9	V95 R97	C7-V95 CarbonylContact C-O 3.55Å; C7-V95 WeakPolarHBondContact CA-O 3.39Å; C7-R97 HydrophobicContact CB-CG 4.29Å
8	R	98.6	Very high	88.7	Confident	1 Å²	1	78.2 Å²	78.2	0%	0.004	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	124.1	161.7	-176.8	-163	-178.9	-80.2	2.6	108.4	A93 V95 Y96 R97 L124 D127 E128 E130 E134	R8-A93 HydrophobicContact CB-CB 4.15Å; R8-V95 PolarHBondContact N-O 2.8Å; R8-Y96 HydrophobicContact CB-CD1 3.71Å; R8-Y96 HydrophobicContact CB-CE1 3.88Å; R8-Y96 HydrophobicContact CB-CG 4.21Å; R8-Y96 HydrophobicContact CG-CD1 4.43Å; R8-Y96 HydrophobicContact CG-CE1 4.35Å; R8-R97 WeakPolarHBondContact O-CG 3.47Å; R8-R97 PolarHBondContact O-N 3.33Å; R8-L124 HydrophobicContact CB-CD1 4.36Å; R8-D127 WeakPolarHBondContact CD-OD1 3.39Å; R8-D127 VanDerWaalsContact CZ-O 3.23Å; R8-D127 PolarHBondContact NE-O 3Å; R8-D127 IonicContact NE-OD1 3.88Å; R8-D127 PolarHBondContact NE-OD1 2.84Å; R8-D127 PolarHBondContact NH2-O 2.92Å; R8-E128 HydrophobicContact CG-CG 3.67Å; R8-E130 PolarHBondContact NH2-O 3.37Å; R8-E134 IonicContact CZ-OE2 3.48Å; R8-E134 VanDerWaalsContact CZ-OE2 3.3Å; R8-E134 IonicContact NH1-OE2 2.68Å; R8-E134 PolarHBondContact NH1-OE2 3.33Å; R8-E134 IonicContact NH2-OE2 2.73Å; R8-E134 PolarHBondContact NH2-OE2 3.39Å
9	E	98.7	Very high	89.2	Confident	83 Å²	83	77.3 Å²	77.3	39%	0.388	44%	0.444	S	S	.	.			trans	-70.4	159.1	176.6	-66.3	-62.3	139.4	0	0	111.9	S11 R97 E128	E9-S11 PolarHBondContact O-N 2.98Å; E9-R97 VanDerWaalsContact CD-NH1 3.31Å; E9-R97 WeakPolarHBondContact OE1-CD 3.39Å; E9-R97 IonicContact OE1-CZ 3.88Å; E9-R97 IonicContact OE1-NE 3.98Å; E9-R97 IonicContact OE1-NH1 2.96Å; E9-R97 PolarHBondContact OE1-NH1 2.67Å; E9-R97 WeakPolarHBondContact OE2-CD 3.34Å; E9-R97 IonicContact OE2-CZ 3.61Å; E9-R97 IonicContact OE2-NE 3.86Å; E9-R97 IonicContact OE2-NH1 2.81Å; E9-R97 PolarHBondContact OE2-NH1 3.19Å; E9-E128 WeakPolarHBondContact CB-OE1 3.47Å; E9-E128 PolarHBondContact N-OE1 2.82Å
10	A	98.6	Very high	89.7	Confident	22 Å²	22	75.6 Å²	75.6	18%	0.182	44%	0.437	C	S	.	.			trans	-80.8	66.1	172	0	0	0	0	0	109.5	H12 A13 E134	A10-H12 PolarHBondContact O-N 3.4Å; A10-H12 VanDerWaalsContact O-N 3.16Å; A10-A13 HydrophobicContact CB-CB 4.05Å; A10-A13 VanDerWaalsContact O-CB 3.23Å; A10-A13 WeakPolarHBondContact O-CB 3.21Å; A10-A13 PolarHBondContact O-N 3Å; A10-A13 VanDerWaalsContact O-N 3.08Å; A10-E134 VanDerWaalsContact C-OE1 3.23Å
11	S	98.5	Very high	90.1	Very high	54 Å²	54	73 Å²	73	38%	0.378	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-22.5	-167.6	50.9	0	0	0	0	114.6	E9 E128 E134	E9-S11 PolarHBondContact O-N 2.98Å; S11-E128 WeakPolarHBondContact CB-O 3.32Å; S11-E128 PolarHBondContact OG-O 2.91Å; S11-E134 PolarHBondContact N-OE1 3.06Å; S11-E134 PolarHBondContact OG-OE2 3.21Å
12	H	98.6	Very high	92.8	Very high	25 Å²	25	66.2 Å²	66.2	12%	0.116	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	0.4	179.2	-60.6	82.2	0	0	0	113.3	A10 S15 W16 Y17 E128 D129 E134	A10-H12 PolarHBondContact O-N 3.4Å; A10-H12 VanDerWaalsContact O-N 3.16Å; H12-S15 PolarHBondContact O-N 3.07Å; H12-S15 PolarHBondContact O-OG 3.21Å; H12-S15 VanDerWaalsContact O-OG 3.11Å; H12-W16 HydrophobicContact CB-CB 4.18Å; H12-W16 HydrophobicContact CB-CG 4.1Å; H12-W16 AromaticContact CD2-CD1 3.61Å; H12-W16 AromaticContact CD2-NE1 3.56Å; H12-W16 PolarHBondContact O-N 3.04Å; H12-Y17 HydrophobicContact CB-CE1 3.99Å; H12-E128 PolarHBondContact CE1-O 2.87Å; H12-E128 VanDerWaalsContact CE1-O 3.27Å; H12-D129 PolarHBondContact CE1-O 3.25Å; H12-E134 WeakPolarHBondContact CA-OE1 3.24Å; H12-E134 WeakPolarHBondContact CB-OE1 3.49Å; H12-E134 IonicContact CE1-OE2 2.79Å; H12-E134 IonicContact CG-OE2 2.65Å; H12-E134 PolarHBondContact N-OE1 3.29Å; H12-E134 IonicContact ND1-OE1 2.69Å; H12-E134 IonicContact ND1-OE2 3.7Å; H12-E134 PolarHBondContact ND1-OE2 3.24Å
13	A	98.7	Very high	95.3	Very high	29 Å²	29	65.9 Å²	65.9	24%	0.24	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-63.9	137.7	172.9	0	0	0	0	0	111	A10 S15 Y17 A19 P99	A10-A13 HydrophobicContact CB-CB 4.05Å; A10-A13 VanDerWaalsContact O-CB 3.23Å; A10-A13 WeakPolarHBondContact O-CB 3.21Å; A10-A13 PolarHBondContact O-N 3Å; A10-A13 VanDerWaalsContact O-N 3.08Å; A13-S15 VanDerWaalsContact C-N 3.3Å; A13-Y17 HydrophobicContact CB-CD2 4.34Å; A13-Y17 HydrophobicContact CB-CE2 3.6Å; A13-A19 HydrophobicContact CB-CB 4.09Å; A13-P99 HydrophobicContact CB-CG 4.25Å
14	G	98.4	Very high	97.2	Very high	60 Å²	60	58.6 Å²	58.6	62%	0.619	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	-10.4	-178	0	0	0	0	0	114.4	Y17	G14-Y17 WeakPolarHBondContact CA-O 3.48Å; G14-Y17 PolarHBondContact N-O 3.31Å
15	S	97.7	Very high	98	Very high	91 Å²	91	50.5 Å²	50.5	64%	0.636	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	-53.2	174.2	52.9	0	0	0	0	112.3	H12 A13	H12-S15 PolarHBondContact O-N 3.07Å; H12-S15 PolarHBondContact O-OG 3.21Å; H12-S15 VanDerWaalsContact O-OG 3.11Å; A13-S15 VanDerWaalsContact C-N 3.3Å
16	W	98.6	Very high	98.5	Very high	89 Å²	89	49.3 Å²	49.3	34%	0.337	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-25.9	-179.6	-70.8	72.1	0	0	0	113.1	H12 G51 Y52 H131 M135	H12-W16 HydrophobicContact CB-CB 4.18Å; H12-W16 HydrophobicContact CB-CG 4.1Å; H12-W16 AromaticContact CD2-CD1 3.61Å; H12-W16 AromaticContact CD2-NE1 3.56Å; H12-W16 PolarHBondContact O-N 3.04Å; W16-G51 CarbonylContact O-C 3.43Å; W16-G51 VanDerWaalsContact O-CA 3.31Å; W16-G51 WeakPolarHBondContact O-CA 3.42Å; W16-Y52 PolarHBondContact O-N 3.43Å; W16-H131 AromaticContact CH2-CD2 3.62Å; W16-H131 AromaticContact CH2-NE2 3.56Å; W16-H131 AromaticContact CZ3-CD2 3.56Å; W16-H131 AromaticContact CZ3-NE2 3.84Å; W16-M135 HydrophobicContact CB-CE 4.29Å; W16-M135 HydrophobicContact CB-SD 3.73Å; W16-M135 HydrophobicContact CD2-SD 4.33Å; W16-M135 HydrophobicContact CE3-SD 3.82Å; W16-M135 HydrophobicContact CG-SD 4.34Å
17	Y	98.8	Very high	98.6	Very high	10 Å²	10	50.5 Å²	50.5	4%	0.039	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-152.5	163	178.7	57.6	-82.6	0	0	0	110	H12 A13 G14 A19 L24 P99 E134 M135 P138	H12-Y17 HydrophobicContact CB-CE1 3.99Å; A13-Y17 HydrophobicContact CB-CD2 4.34Å; A13-Y17 HydrophobicContact CB-CE2 3.6Å; G14-Y17 WeakPolarHBondContact CA-O 3.48Å; G14-Y17 PolarHBondContact N-O 3.31Å; Y17-A19 PolarHBondContact O-N 2.81Å; Y17-L24 HydrophobicContact CD2-CD1 4.33Å; Y17-L24 HydrophobicContact CD2-CD2 3.78Å; Y17-L24 HydrophobicContact CE2-CD2 4.26Å; Y17-P99 HydrophobicContact CD2-CG 4.35Å; Y17-P99 HydrophobicContact CE2-CG 3.75Å; Y17-E134 HydrophobicContact CE1-CG 4.22Å; Y17-E134 PolarHBondContact OH-OE1 2.86Å; Y17-M135 HydrophobicContact CD1-CE 3.13Å; Y17-M135 HydrophobicContact CD1-SD 4.31Å; Y17-M135 HydrophobicContact CE1-CE 3.64Å; Y17-M135 HydrophobicContact CG-CE 3.92Å; Y17-P138 HydrophobicContact CD2-CG 4.12Å; Y17-P138 HydrophobicContact CE2-CG 3.87Å
18	S	98.6	Very high	98.6	Very high	23 Å²	23	48.3 Å²	48.3	16%	0.161	31%	0.308	C	S	.	.			trans	-63.9	129.2	-178.3	-176	0	0	0	0	111.6	S20 Q23	S18-S20 PolarHBondContact O-N 2.96Å; S18-S20 PolarHBondContact OG-N 2.88Å; S18-Q23 PolarHBondContact OG-OE1 2.9Å
19	A	98.6	Very high	98.6	Very high	60 Å²	60	52.3 Å²	52.3	50%	0.496	33%	0.327	S	S	.	.	S	Bend	trans	-73.3	-15.8	171.8	0	0	0	0	0	112.9	A13 Y17 G21	A13-A19 HydrophobicContact CB-CB 4.09Å; Y17-A19 PolarHBondContact O-N 2.81Å; A19-G21 PolarHBondContact O-N 3.26Å
20	S	98.7	Very high	98.6	Very high	44 Å²	44	49.6 Å²	49.6	31%	0.308	32%	0.321	S	S	.	.			trans	-82.2	108.3	178.7	179.6	0	0	0	0	110.3	S18 S22 Q23 L24	S18-S20 PolarHBondContact O-N 2.96Å; S18-S20 PolarHBondContact OG-N 2.88Å; S20-S22 VanDerWaalsContact C-N 3.28Å; S20-S22 PolarHBondContact O-N 3.27Å; S20-S22 PolarHBondContact OG-OG 2.92Å; S20-Q23 PolarHBondContact O-N 2.85Å; S20-L24 PolarHBondContact O-N 2.93Å
21	G	98.6	Very high	98.6	Very high	21 Å²	21	51.1 Å²	51.1	22%	0.216	32%	0.322	C	S	.	.	H	α-helix	trans	-50.8	-42.6	-178.3	0	0	0	0	0	114.6	A19 L24 N25 P99 L100	A19-G21 PolarHBondContact O-N 3.26Å; G21-L24 PolarHBondContact O-N 3.29Å; G21-N25 VanDerWaalsContact O-CB 3.25Å; G21-N25 WeakPolarHBondContact O-CB 3.2Å; G21-N25 PolarHBondContact O-N 2.91Å; G21-P99 WeakPolarHBondContact CA-O 3.46Å; G21-L100 VanDerWaalsContact O-CD2 3.3Å; G21-L100 WeakPolarHBondContact O-CD2 3.4Å
22	S	98.6	Very high	98.6	Very high	89 Å²	89	49.3 Å²	49.3	62%	0.622	31%	0.308	S	S	*	.	H	α-helix	trans	-63.9	-42.1	177.4	55.2	0	0	0	0	113.6	S20 A26	S20-S22 VanDerWaalsContact C-N 3.28Å; S20-S22 PolarHBondContact O-N 3.27Å; S20-S22 PolarHBondContact OG-OG 2.92Å; S22-A26 PolarHBondContact O-N 2.86Å; S22-A26 VanDerWaalsContact O-N 3.16Å
23	Q	98.7	Very high	98.6	Very high	113 Å²	113	51.7 Å²	51.7	53%	0.528	33%	0.328	S	S	.	.	H	α-helix	trans	-70.2	-44.6	178.4	-66.2	178.7	1.8	0	0	110.6	S18 S20 N25 A26 Q27	S18-Q23 PolarHBondContact OG-OE1 2.9Å; S20-Q23 PolarHBondContact O-N 2.85Å; Q23-N25 VanDerWaalsContact C-N 3.35Å; Q23-N25 PolarHBondContact O-N 3.48Å; Q23-A26 PolarHBondContact O-N 3.02Å; Q23-Q27 WeakPolarHBondContact O-CG 3.45Å; Q23-Q27 PolarHBondContact O-N 3.14Å
24	L	98.8	Very high	98.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61.4	-44.8	178.3	-173.1	61.2	0	0	0	111.1	Y17 S20 G21 A26 Q27 L28 Y52 P99 L100 P138	Y17-L24 HydrophobicContact CD2-CD1 4.33Å; Y17-L24 HydrophobicContact CD2-CD2 3.78Å; Y17-L24 HydrophobicContact CE2-CD2 4.26Å; S20-L24 PolarHBondContact O-N 2.93Å; G21-L24 PolarHBondContact O-N 3.29Å; L24-A26 VanDerWaalsContact C-N 3.35Å; L24-A26 PolarHBondContact O-N 3.03Å; L24-Q27 PolarHBondContact O-N 3.21Å; L24-L28 HydrophobicContact CD1-CD1 4.34Å; L24-L28 HydrophobicContact CD1-CG 4.39Å; L24-L28 HydrophobicContact CG-CD1 4.03Å; L24-L28 HydrophobicContact CG-CG 4.49Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.49Å; L24-L28 PolarHBondContact O-N 2.52Å; L24-Y52 HydrophobicContact CD1-CD2 3.78Å; L24-Y52 HydrophobicContact CD1-CE2 3.86Å; L24-P99 HydrophobicContact CD2-CB 3.92Å; L24-P99 HydrophobicContact CD2-CG 3.87Å; L24-L100 HydrophobicContact CB-CD2 4.41Å; L24-P138 HydrophobicContact CD2-CB 3.72Å; L24-P138 HydrophobicContact CD2-CG 4.15Å; L24-P138 HydrophobicContact CG-CB 4.43Å
25	N	98.8	Very high	98.6	Very high	57 Å²	57	54.7 Å²	54.7	31%	0.305	32%	0.321	S	S	.	.	H	α-helix	trans	-57.6	-47.2	175.6	-176.4	55	0	0	0	111.7	G21 Q23 L28 E29 L100 K142	G21-N25 VanDerWaalsContact O-CB 3.25Å; G21-N25 WeakPolarHBondContact O-CB 3.2Å; G21-N25 PolarHBondContact O-N 2.91Å; Q23-N25 VanDerWaalsContact C-N 3.35Å; Q23-N25 PolarHBondContact O-N 3.48Å; N25-L28 PolarHBondContact O-N 2.92Å; N25-E29 WeakPolarHBondContact O-CB 3.34Å; N25-E29 PolarHBondContact O-N 2.89Å; N25-L100 HydrophobicContact CB-CD2 3.77Å; N25-K142 VanDerWaalsContact OD1-CD 3.31Å; N25-K142 WeakPolarHBondContact OD1-CD 3.47Å; N25-K142 PolarHBondContact OD1-NZ 2.91Å; N25-K142 VanDerWaalsContact OD1-NZ 3.12Å
26	A	98.8	Very high	98.4	Very high	62 Å²	62	57.5 Å²	57.5	51%	0.512	33%	0.325	S	S	.	.	H	α-helix	trans	-65	-38.7	179.4	0	0	0	0	0	112.6	S22 Q23 L24 G30	S22-A26 PolarHBondContact O-N 2.86Å; S22-A26 VanDerWaalsContact O-N 3.16Å; Q23-A26 PolarHBondContact O-N 3.02Å; L24-A26 VanDerWaalsContact C-N 3.35Å; L24-A26 PolarHBondContact O-N 3.03Å; A26-G30 PolarHBondContact O-N 2.94Å
27	Q	98.7	Very high	98.2	Very high	81 Å²	81	56.1 Å²	56.1	38%	0.379	33%	0.328	S	S	.	.	H	α-helix	trans	-62.1	-49.8	174.9	-76	177.4	-29.5	0	0	111.6	Q23 L24 G30 W31	Q23-Q27 WeakPolarHBondContact O-CG 3.45Å; Q23-Q27 PolarHBondContact O-N 3.14Å; L24-Q27 PolarHBondContact O-N 3.21Å; Q27-G30 PolarHBondContact O-N 2.89Å; Q27-W31 HydrophobicContact CB-CH2 4.28Å; Q27-W31 HydrophobicContact CB-CZ3 4.22Å; Q27-W31 PolarHBondContact O-N 2.6Å; Q27-W31 VanDerWaalsContact O-N 3.09Å
28	L	98.9	Very high	98.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-64.8	-41.3	-179.6	-64.2	171.8	0	0	0	111.9	L24 N25 W31 L32 Y52 L100 P138 Y139 K142	L24-L28 HydrophobicContact CD1-CD1 4.34Å; L24-L28 HydrophobicContact CD1-CG 4.39Å; L24-L28 HydrophobicContact CG-CD1 4.03Å; L24-L28 HydrophobicContact CG-CG 4.49Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.49Å; L24-L28 PolarHBondContact O-N 2.52Å; N25-L28 PolarHBondContact O-N 2.92Å; L28-W31 HydrophobicContact CD2-CE3 4.1Å; L28-W31 HydrophobicContact CD2-CZ3 4.14Å; L28-W31 PolarHBondContact O-N 3.34Å; L28-L32 WeakPolarHBondContact O-CB 3.39Å; L28-L32 VanDerWaalsContact O-CG 3.28Å; L28-L32 WeakPolarHBondContact O-CG 3.49Å; L28-L32 PolarHBondContact O-N 3.27Å; L28-Y52 HydrophobicContact CD2-CD2 4.18Å; L28-Y52 HydrophobicContact CD2-CE2 3.77Å; L28-L100 HydrophobicContact CD1-CD1 4.14Å; L28-P138 HydrophobicContact CD1-CB 4.1Å; L28-Y139 HydrophobicContact CD2-CD1 4Å; L28-Y139 HydrophobicContact CD2-CD2 3.6Å; L28-Y139 HydrophobicContact CD2-CE1 3.82Å; L28-Y139 HydrophobicContact CD2-CE2 3.38Å; L28-Y139 HydrophobicContact CD2-CG 3.87Å; L28-Y139 VanDerWaalsContact CD2-CZ 3.47Å; L28-K142 HydrophobicContact CB-CB 4.22Å; L28-K142 HydrophobicContact CB-CG 3.82Å; L28-K142 HydrophobicContact CD1-CB 3.84Å; L28-K142 HydrophobicContact CD1-CG 4.36Å
29	E	98.8	Very high	97.7	Very high	85 Å²	85	59.7 Å²	59.7	40%	0.397	35%	0.35	S	S	.	.	H	α-helix	trans	-57.8	-47.1	172.2	-175.3	62.9	-136.5	0	0	111.5	N25 W31 L32 S33 K142	N25-E29 WeakPolarHBondContact O-CB 3.34Å; N25-E29 PolarHBondContact O-N 2.89Å; E29-W31 VanDerWaalsContact C-N 3.32Å; E29-W31 PolarHBondContact O-N 3.09Å; E29-L32 PolarHBondContact O-N 2.94Å; E29-S33 WeakPolarHBondContact O-CB 3.35Å; E29-S33 PolarHBondContact O-N 2.86Å; E29-S33 PolarHBondContact O-OG 3.15Å; E29-S33 VanDerWaalsContact O-OG 3.09Å; E29-K142 WeakPolarHBondContact OE2-CE 3.33Å; E29-K142 IonicContact OE2-NZ 3.88Å; E29-K142 PolarHBondContact OE2-NZ 2.9Å
30	G	98.8	Very high	97.5	Very high	27 Å²	27	61.6 Å²	61.6	28%	0.278	34%	0.344	S	S	.	.	H	α-helix	trans	-57.2	-42.1	178.1	0	0	0	0	0	113.1	A26 Q27 S33 Q34	A26-G30 PolarHBondContact O-N 2.94Å; Q27-G30 PolarHBondContact O-N 2.89Å; G30-S33 PolarHBondContact O-OG 3.44Å; G30-Q34 WeakPolarHBondContact O-CG 3.32Å; G30-Q34 PolarHBondContact O-NE2 2.84Å
31	W	98.8	Very high	97.4	Very high	54 Å²	54	62 Å²	62	21%	0.205	35%	0.346	C	S	.	.	H	α-helix	trans	-75	-41.5	176	-62.7	-41.8	0	0	0	113	Q27 L28 E29 S33 Q34 A35 Y52 A57 A60	Q27-W31 HydrophobicContact CB-CH2 4.28Å; Q27-W31 HydrophobicContact CB-CZ3 4.22Å; Q27-W31 PolarHBondContact O-N 2.6Å; Q27-W31 VanDerWaalsContact O-N 3.09Å; L28-W31 HydrophobicContact CD2-CE3 4.1Å; L28-W31 HydrophobicContact CD2-CZ3 4.14Å; L28-W31 PolarHBondContact O-N 3.34Å; E29-W31 VanDerWaalsContact C-N 3.32Å; E29-W31 PolarHBondContact O-N 3.09Å; W31-S33 VanDerWaalsContact C-N 3.29Å; W31-S33 PolarHBondContact O-N 3.49Å; W31-Q34 PolarHBondContact O-N 3.14Å; W31-A35 PolarHBondContact O-N 3.03Å; W31-Y52 WeakPolarHBondContact CH2-O 3.2Å; W31-Y52 HydrophobicContact CZ3-CD2 4.23Å; W31-Y52 HydrophobicContact CZ3-CG 4.37Å; W31-A57 HydrophobicContact CG-CB 4.22Å; W31-A60 HydrophobicContact CB-CB 3.7Å
32	L	98.8	Very high	97.4	Very high	15 Å²	15	61.1 Å²	61.1	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-66.1	-29.4	179.1	-75.2	168.4	0	0	0	113.2	L28 E29 Q34 A60 K64 Y139 K142	L28-L32 WeakPolarHBondContact O-CB 3.39Å; L28-L32 VanDerWaalsContact O-CG 3.28Å; L28-L32 WeakPolarHBondContact O-CG 3.49Å; L28-L32 PolarHBondContact O-N 3.27Å; E29-L32 PolarHBondContact O-N 2.94Å; L32-Q34 VanDerWaalsContact C-N 3.32Å; L32-A60 HydrophobicContact CD2-CB 4.28Å; L32-K64 HydrophobicContact CD2-CB 4.34Å; L32-K64 WeakPolarHBondContact O-CD 3.17Å; L32-K64 WeakPolarHBondContact O-CE 3.37Å; L32-K64 PolarHBondContact O-NZ 2.59Å; L32-Y139 HydrophobicContact CD1-CE1 4.37Å; L32-Y139 HydrophobicContact CD2-CE1 4.06Å; L32-Y139 HydrophobicContact CG-CE1 4.06Å; L32-K142 HydrophobicContact CD1-CG 3.53Å
33	S	98.4	Very high	97.4	Very high	75 Å²	75	58.1 Å²	58.1	52%	0.524	31%	0.311	S	S	.	.	H	α-helix	trans	-71.2	-25.8	175.2	61.7	0	0	0	0	113.2	E29 G30 W31	E29-S33 WeakPolarHBondContact O-CB 3.35Å; E29-S33 PolarHBondContact O-N 2.86Å; E29-S33 PolarHBondContact O-OG 3.15Å; E29-S33 VanDerWaalsContact O-OG 3.09Å; G30-S33 PolarHBondContact O-OG 3.44Å; W31-S33 VanDerWaalsContact C-N 3.29Å; W31-S33 PolarHBondContact O-N 3.49Å
34	Q	98.2	Very high	97.5	Very high	147 Å²	147	52.8 Å²	52.8	69%	0.687	29%	0.286	S	S	*	.	H	α-helix	trans	-85.3	-25.6	177.5	-68.6	172.6	59.1	0	0	112.8	G30 W31 L32	G30-Q34 WeakPolarHBondContact O-CG 3.32Å; G30-Q34 PolarHBondContact O-NE2 2.84Å; W31-Q34 PolarHBondContact O-N 3.14Å; L32-Q34 VanDerWaalsContact C-N 3.32Å
35	A	97.4	Very high	97.5	Very high	5 Å²	5	52.8 Å²	52.8	4%	0.041	29%	0.286	C	S	.	.	S	Bend	trans	-74.6	138.2	175.6	0	0	0	0	0	111.7	W31 A60 K64	W31-A35 PolarHBondContact O-N 3.03Å; A35-A60 HydrophobicContact CB-CB 4.23Å; A35-K64 HydrophobicContact CB-CB 3.73Å; A35-K64 HydrophobicContact CB-CG 3.96Å; A35-K64 WeakPolarHBondContact O-CE 3.15Å; A35-K64 WeakPolarHBondContact O-CG 3.26Å
36	Q	94.5	Very high	97.5	Very high	150 Å²	150	50 Å²	50	70%	0.701	27%	0.272	S	S	*	.			trans	-85.9	144.3	173.8	-66.5	-176.1	-11.8	0	0	111.3	T38 Q65	Q36-T38 HydrophobicContact CB-CG2 4.23Å; Q36-Q65 PolarHBondContact O-NE2 3.28Å
37	S	94.8	Very high	97.5	Very high	60 Å²	60	47.1 Å²	47.1	42%	0.42	25%	0.247	S	C	.	.			trans	-92.4	107.5	173.5	167.1	0	0	0	0	109.5	R40	S37-R40 WeakPolarHBondContact OG-CD 3.47Å; S37-R40 VanDerWaalsContact OG-CG 3.27Å; S37-R40 WeakPolarHBondContact OG-CG 3.31Å; S37-R40 PolarHBondContact OG-NE 2.61Å; S37-R40 VanDerWaalsContact OG-NE 3.1Å
38	T	95.6	Very high	97.5	Very high	87 Å²	87	43.4 Å²	43.4	53%	0.534	23%	0.231	S	C	.	.			trans	-126.1	-22.3	-174.3	53.7	0	0	0	0	113.7	Q36	Q36-T38 HydrophobicContact CB-CG2 4.23Å
39	I	90.4	Very high	97.5	Very high	22 Å²	22	43.6 Å²	43.6	11%	0.113	23%	0.231	C	C	.	.	S	Bend	trans	-129.8	63.9	-175.5	-52.5	-176.9	0	0	0	109.2	A42 Q65 L271 A293 I295	I39-A42 PolarHBondContact O-N 3.16Å; I39-Q65 HydrophobicContact CB-CG 4.35Å; I39-Q65 WeakPolarHBondContact O-CB 3.46Å; I39-L271 HydrophobicContact CD1-CD1 4.42Å; I39-L271 HydrophobicContact CD1-CD2 3.76Å; I39-L271 HydrophobicContact CD1-CG 4.36Å; I39-L271 HydrophobicContact CG1-CD2 4.28Å; I39-A293 HydrophobicContact CB-CB 4.14Å; I39-A293 HydrophobicContact CD1-CB 4.43Å; I39-A293 HydrophobicContact CG2-CB 4.01Å; I39-I295 HydrophobicContact CG2-CB 3.75Å; I39-I295 HydrophobicContact CG2-CD1 4.47Å; I39-I295 HydrophobicContact CG2-CG2 4.1Å
40	R	94.9	Very high	97.5	Very high	100 Å²	100	39.9 Å²	39.9	38%	0.377	22%	0.215	S	C	.	.			trans	-108.1	141.4	177.2	-73.1	-165.4	173.1	-164.7	-10.8	111.6	S37 K64 Q65 V66	S37-R40 WeakPolarHBondContact OG-CD 3.47Å; S37-R40 VanDerWaalsContact OG-CG 3.27Å; S37-R40 WeakPolarHBondContact OG-CG 3.31Å; S37-R40 PolarHBondContact OG-NE 2.61Å; S37-R40 VanDerWaalsContact OG-NE 3.1Å; R40-K64 PolarHBondContact NE-O 2.76Å; R40-K64 PolarHBondContact NH2-O 2.76Å; R40-Q65 WeakPolarHBondContact CG-O 3.48Å; R40-V66 PolarHBondContact NH2-O 3.18Å
41	P	97.1	Very high	97.5	Very high	53 Å²	53	39 Å²	39	34%	0.344	21%	0.206	S	C	.	.	S	Bend	cis	-82.8	124.9	-7.4	32.3	-32.7	0	0	0	111.7	R43 D67 V70	P41-R43 PolarHBondContact O-N 2.88Å; P41-D67 HydrophobicContact CB-CB 3.73Å; P41-V70 HydrophobicContact CB-CB 4.5Å; P41-V70 HydrophobicContact CB-CG2 4.44Å
42	A	98.5	Very high	97.4	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.017	20%	0.198	C	C	.	.			trans	-65.2	132.3	174.8	0	0	0	0	0	111.3	I39 I45 Q65 A293 L294	I39-A42 PolarHBondContact O-N 3.16Å; A42-I45 HydrophobicContact CB-CG2 3.99Å; A42-Q65 HydrophobicContact CB-CB 3.8Å; A42-Q65 VanDerWaalsContact CB-O 3.3Å; A42-Q65 WeakPolarHBondContact CB-O 3.25Å; A42-Q65 PolarHBondContact N-O 2.9Å; A42-A293 HydrophobicContact CB-CB 4.07Å; A42-L294 CarbonylContact C-O 3.58Å; A42-L294 WeakPolarHBondContact CA-O 3.11Å
43	R	98.7	Very high	97.4	Very high	26 Å²	26	42.1 Å²	42.1	10%	0.098	23%	0.231	C	C	.	.	S	Bend	trans	-90.2	-28.2	172.9	-173.2	54.1	58.6	82	21.2	112.9	P41 L177 A178 D179 P180 N182 L183 F184 L294 V296	P41-R43 PolarHBondContact O-N 2.88Å; R43-L177 WeakPolarHBondContact CD-O 3.34Å; R43-L177 HydrophobicContact CG-CD1 3.77Å; R43-L177 HydrophobicContact CG-CG 4.34Å; R43-L177 VanDerWaalsContact CG-O 3.31Å; R43-L177 WeakPolarHBondContact CG-O 3.28Å; R43-L177 PolarHBondContact NH1-O 2.92Å; R43-A178 PolarHBondContact NH1-O 2.88Å; R43-D179 PolarHBondContact NH1-O 3.09Å; R43-P180 VanDerWaalsContact NH2-CA 3.27Å; R43-N182 WeakPolarHBondContact CD-O 3.24Å; R43-N182 PolarHBondContact NE-O 3.36Å; R43-L183 WeakPolarHBondContact O-CA 3.41Å; R43-F184 PolarHBondContact O-N 3.4Å; R43-L294 PolarHBondContact N-O 3.16Å; R43-V296 HydrophobicContact CB-CG2 3.67Å; R43-V296 HydrophobicContact CG-CG2 3.69Å
44	A	98.9	Very high	97.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156.3	169.6	0	0	0	0	0	109.9	L177 F184 L252 A293 L294	A44-L177 HydrophobicContact CB-CD1 4.35Å; A44-F184 CarbonylContact C-O 3.43Å; A44-F184 WeakPolarHBondContact CA-O 3.46Å; A44-F184 HydrophobicContact CB-CB 3.79Å; A44-F184 WeakPolarHBondContact CB-O 3.27Å; A44-L252 HydrophobicContact CB-CD1 3.87Å; A44-L252 HydrophobicContact CB-CD2 4.3Å; A44-A293 CarbonylContact O-C 3.53Å; A44-A293 WeakPolarHBondContact O-CA 3.46Å; A44-L294 HydrophobicContact CB-CB 3.74Å; A44-L294 HydrophobicContact CB-CD2 3.91Å; A44-L294 PolarHBondContact O-N 3.3Å
45	I	98.9	Very high	97.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147	169.5	60	172.2	0	0	0	109.8	A42 A62 Y63 V66 F184 I185 I186 G292 A293	A42-I45 HydrophobicContact CB-CG2 3.99Å; I45-A62 HydrophobicContact CB-CB 4.03Å; I45-A62 HydrophobicContact CD1-CB 4.2Å; I45-A62 HydrophobicContact CG2-CB 4.28Å; I45-Y63 HydrophobicContact CD1-CD1 4.1Å; I45-Y63 HydrophobicContact CD1-CD2 4.27Å; I45-Y63 HydrophobicContact CD1-CE1 3.96Å; I45-Y63 HydrophobicContact CD1-CE2 4.13Å; I45-Y63 HydrophobicContact CD1-CG 4.26Å; I45-V66 HydrophobicContact CD1-CG2 4.45Å; I45-F184 PolarHBondContact N-O 3.18Å; I45-I185 HydrophobicContact CD1-CD1 4.26Å; I45-I185 HydrophobicContact CD1-CG1 3.95Å; I45-I185 HydrophobicContact CD1-CG2 4.18Å; I45-I185 HydrophobicContact CG1-CB 4.19Å; I45-I185 HydrophobicContact CG1-CG1 3.9Å; I45-I185 HydrophobicContact CG1-CG2 4.11Å; I45-I186 PolarHBondContact O-N 3Å; I45-G292 CarbonylContact C-O 3.53Å; I45-G292 WeakPolarHBondContact CA-O 3.45Å; I45-G292 WeakPolarHBondContact CB-O 3.46Å; I45-A293 HydrophobicContact CG2-CB 4.19Å
46	I	98.9	Very high	97.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.4	161	-64.7	172.3	0	0	0	106.6	I186 F190 I224 I249 F268 F270 A291 G292	I46-I186 WeakPolarHBondContact CA-O 3.3Å; I46-I186 HydrophobicContact CG1-CB 3.96Å; I46-I186 HydrophobicContact CG1-CG2 4.22Å; I46-F190 HydrophobicContact CG2-CE2 4.25Å; I46-I224 HydrophobicContact CD1-CD1 4.46Å; I46-I224 HydrophobicContact CD1-CG2 3.82Å; I46-I249 HydrophobicContact CD1-CD1 4.47Å; I46-I249 HydrophobicContact CD1-CG1 4.11Å; I46-F268 HydrophobicContact CB-CZ 3.93Å; I46-F268 HydrophobicContact CD1-CE1 4.16Å; I46-F268 HydrophobicContact CD1-CE2 3.97Å; I46-F268 HydrophobicContact CD1-CZ 3.52Å; I46-F268 HydrophobicContact CG1-CE2 3.96Å; I46-F268 HydrophobicContact CG1-CZ 3.66Å; I46-F270 HydrophobicContact CB-CE1 4.35Å; I46-F270 HydrophobicContact CD1-CE1 4.47Å; I46-F270 HydrophobicContact CD1-CZ 3.99Å; I46-F270 HydrophobicContact CG2-CE1 4.27Å; I46-A291 WeakPolarHBondContact O-CA 3.49Å; I46-G292 PolarHBondContact N-O 3.02Å; I46-G292 PolarHBondContact O-N 3.08Å
47	A	98.9	Very high	97.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	150.8	-179.5	0	0	0	0	0	111.4	A62 Y63 H136 I186 S188	A47-A62 HydrophobicContact CB-CB 4.09Å; A47-Y63 HydrophobicContact CB-CE2 4.24Å; A47-H136 PolarHBondContact O-CE1 2.87Å; A47-I186 PolarHBondContact N-O 3.05Å; A47-I186 VanDerWaalsContact N-O 3.16Å; A47-S188 PolarHBondContact O-N 3.46Å
48	P	98.9	Very high	97.9	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.026	17%	0.17	C	C	.	.			trans	-73.4	160.1	-179.1	32.2	-36.9	0	0	0	112.4	C55 C58 A59 H136 S188 D189 Y289	P48-C55 HydrophobicContact CB-CB 3.81Å; P48-C55 HydrophobicContact CG-CB 3.64Å; P48-C58 HydrophobicContact CG-CB 4.46Å; P48-A59 HydrophobicContact CG-CB 4.05Å; P48-H136 PolarHBondContact O-CE1 2.98Å; P48-S188 WeakPolarHBondContact CA-O 3.5Å; P48-D189 VanDerWaalsContact CA-OD1 3.24Å; P48-D189 WeakPolarHBondContact CA-OD1 3.44Å; P48-D189 WeakPolarHBondContact CB-OD1 3.2Å; P48-Y289 HydrophobicContact CB-CD1 3.89Å; P48-Y289 HydrophobicContact CB-CG 4.27Å
49	H	98.8	Very high	98.1	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.014	15%	0.146	C	C	.	.			trans	-128.6	19.4	178.4	58	-116.1	0	0	0	114	H81 M135 S187 D189 C244	H49-H81 AromaticContact NE2-CE1 3.39Å; H49-H81 PolarHBondContact NE2-CE1 3.04Å; H49-H81 AromaticContact NE2-NE2 3.65Å; H49-M135 HydrophobicContact CB-CB 3.88Å; H49-M135 HydrophobicContact CB-CG 4.3Å; H49-M135 WeakPolarHBondContact O-CG 3.31Å; H49-S187 WeakPolarHBondContact CB-OG 3.46Å; H49-S187 PolarHBondContact ND1-OG 2.62Å; H49-D189 IonicContact CD2-OD2 3.83Å; H49-D189 PolarHBondContact N-OD1 3.21Å; H49-C244 PolarHBondContact CE1-SG 3.01Å; H49-C244 PolarHBondContact NE2-SG 3.28Å
50	A	98.4	Very high	98.5	Very high	8 Å²	8	26.5 Å²	26.5	7%	0.066	14%	0.14	C	C	.	.	S	Bend	trans	-67.1	170.9	164.7	0	0	0	0	0	112.4	C55 D189 Y289	A50-C55 VanDerWaalsContact C-SG 3.58Å; A50-C55 HydrophobicContact CB-CB 4.16Å; A50-C55 PolarHBondContact O-SG 2.56Å; A50-D189 PolarHBondContact N-OD1 3.37Å; A50-D189 PolarHBondContact N-OD2 3.46Å; A50-Y289 HydrophobicContact CB-CD1 4.34Å; A50-Y289 HydrophobicContact CB-CE1 3.5Å; A50-Y289 VanDerWaalsContact CB-CE1 3.5Å
51	G	98.5	Very high	98.6	Very high	8 Å²	8	24.2 Å²	24.2	8%	0.082	13%	0.134	C	C	.	.			trans	-58	142.3	173.8	0	0	0	0	0	112	W16 T53 Y54 C55	W16-G51 CarbonylContact O-C 3.43Å; W16-G51 VanDerWaalsContact O-CA 3.31Å; W16-G51 WeakPolarHBondContact O-CA 3.42Å; G51-T53 PolarHBondContact O-N 2.79Å; G51-T53 VanDerWaalsContact O-N 3.09Å; G51-Y54 PolarHBondContact O-N 2.82Å; G51-C55 PolarHBondContact O-N 3Å
52	Y	98.8	Very high	98.7	Very high	7 Å²	7	21.7 Å²	21.7	3%	0.027	12%	0.117	C	C	.	.	H	α-helix	trans	-61.3	-27	-168.6	-79.5	6	0	0	0	114.3	W16 L24 L28 W31 Y54 G56 M135 P138 Y139	W16-Y52 PolarHBondContact O-N 3.43Å; L24-Y52 HydrophobicContact CD1-CD2 3.78Å; L24-Y52 HydrophobicContact CD1-CE2 3.86Å; L28-Y52 HydrophobicContact CD2-CD2 4.18Å; L28-Y52 HydrophobicContact CD2-CE2 3.77Å; W31-Y52 WeakPolarHBondContact CH2-O 3.2Å; W31-Y52 HydrophobicContact CZ3-CD2 4.23Å; W31-Y52 HydrophobicContact CZ3-CG 4.37Å; Y52-Y54 PolarHBondContact O-N 3.27Å; Y52-G56 VanDerWaalsContact O-CA 3.3Å; Y52-G56 WeakPolarHBondContact O-CA 3.3Å; Y52-G56 PolarHBondContact O-N 2.87Å; Y52-M135 HydrophobicContact CD1-CE 3.75Å; Y52-M135 HydrophobicContact CE1-CE 3.39Å; Y52-M135 WeakPolarHBondContact CE1-O 3.25Å; Y52-M135 HydrophobicContact CE1-SD 4.45Å; Y52-M135 PolarHBondContact OH-O 2.66Å; Y52-P138 HydrophobicContact CE2-CB 4.09Å; Y52-P138 HydrophobicContact CE2-CG 4.32Å; Y52-P138 WeakPolarHBondContact OH-CD 3.19Å; Y52-Y139 HydrophobicContact CE1-CD2 4.13Å; Y52-Y139 HydrophobicContact CE2-CD2 4.32Å; Y52-Y139 AromaticContact CZ-CD2 3.79Å; Y52-Y139 PolarHBondContact OH-N 2.84Å
53	T	98.5	Very high	98.7	Very high	127 Å²	127	21.8 Å²	21.8	78%	0.779	12%	0.117	S	C	*	.	H	α-helix	trans	-59	-30.7	173.3	-56.5	0	0	0	0	112.4	G51	G51-T53 PolarHBondContact O-N 2.79Å; G51-T53 VanDerWaalsContact O-N 3.09Å
54	Y	98.2	Very high	98.7	Very high	158 Å²	158	23 Å²	23	62%	0.62	12%	0.124	S	C	*	.	H	α-helix	trans	-93.6	-46.4	-177.6	-54.2	-71.8	0	0	0	112.7	G51 Y52 Y289	G51-Y54 PolarHBondContact O-N 2.82Å; Y52-Y54 PolarHBondContact O-N 3.27Å; Y54-Y289 WeakPolarHBondContact CB-OH 3.43Å
55	C	98.6	Very high	98.7	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.014	12%	0.124	C	C	.	.	H	α-helix	trans	-119.4	-0.1	-169.1	75.5	0	0	0	0	114.6	P48 A50 G51 A57 C58 A59 Y289	P48-C55 HydrophobicContact CB-CB 3.81Å; P48-C55 HydrophobicContact CG-CB 3.64Å; A50-C55 VanDerWaalsContact C-SG 3.58Å; A50-C55 HydrophobicContact CB-CB 4.16Å; A50-C55 PolarHBondContact O-SG 2.56Å; G51-C55 PolarHBondContact O-N 3Å; C55-A57 PolarHBondContact O-N 2.8Å; C55-C58 WeakPolarHBondContact O-CB 3.32Å; C55-C58 PolarHBondContact O-N 2.92Å; C55-C58 VanDerWaalsContact O-N 3.09Å; C55-A59 PolarHBondContact O-N 3.3Å; C55-Y289 HydrophobicContact CB-CD1 3.69Å; C55-Y289 HydrophobicContact CB-CD2 3.79Å; C55-Y289 HydrophobicContact CB-CE1 3.96Å; C55-Y289 HydrophobicContact CB-CE2 4.04Å; C55-Y289 HydrophobicContact CB-CG 3.61Å
56	G	98.6	Very high	98.7	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-56.4	-52.1	-176.3	0	0	0	0	0	112.1	Y52 C58 A59 A60 Y139	Y52-G56 VanDerWaalsContact O-CA 3.3Å; Y52-G56 WeakPolarHBondContact O-CA 3.3Å; Y52-G56 PolarHBondContact O-N 2.87Å; G56-C58 VanDerWaalsContact C-N 3.27Å; G56-C58 PolarHBondContact O-N 2.84Å; G56-A59 PolarHBondContact O-N 2.6Å; G56-A59 VanDerWaalsContact O-N 3.14Å; G56-A60 PolarHBondContact O-N 2.79Å; G56-A60 VanDerWaalsContact O-N 3.13Å; G56-Y139 PolarHBondContact O-OH 3.25Å
57	A	98.8	Very high	98.7	Very high	51 Å²	51	24.9 Å²	24.9	42%	0.421	13%	0.134	S	C	.	.	H	α-helix	trans	-55.9	-40.9	175.9	0	0	0	0	0	112.7	W31 C55 A60 H61	W31-A57 HydrophobicContact CG-CB 4.22Å; C55-A57 PolarHBondContact O-N 2.8Å; A57-A60 WeakPolarHBondContact O-CB 3.42Å; A57-A60 PolarHBondContact O-N 2.88Å; A57-H61 PolarHBondContact O-CD2 2.93Å
58	C	98.8	Very high	98.7	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.027	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-48.1	176.8	-176.3	0	0	0	0	111.5	P48 C55 G56 A60 H61 N272 A274 A291	P48-C58 HydrophobicContact CG-CB 4.46Å; C55-C58 WeakPolarHBondContact O-CB 3.32Å; C55-C58 PolarHBondContact O-N 2.92Å; C55-C58 VanDerWaalsContact O-N 3.09Å; G56-C58 VanDerWaalsContact C-N 3.27Å; G56-C58 PolarHBondContact O-N 2.84Å; C58-A60 PolarHBondContact O-N 3.04Å; C58-H61 WeakPolarHBondContact O-CB 3.38Å; C58-H61 PolarHBondContact O-N 3.33Å; C58-H61 VanDerWaalsContact O-N 3.11Å; C58-N272 PolarHBondContact SG-ND2 2.95Å; C58-A274 HydrophobicContact CB-CB 4.49Å; C58-A291 WeakPolarHBondContact O-CB 3.4Å
59	A	98.9	Very high	98.7	Very high	3 Å²	3	28.7 Å²	28.7	3%	0.025	16%	0.159	C	C	.	.	H	α-helix	trans	-58.3	-33.2	179.6	0	0	0	0	0	112.5	P48 C55 G56 H61 A62 Y63 Y139	P48-A59 HydrophobicContact CG-CB 4.05Å; C55-A59 PolarHBondContact O-N 3.3Å; G56-A59 PolarHBondContact O-N 2.6Å; G56-A59 VanDerWaalsContact O-N 3.14Å; A59-H61 PolarHBondContact O-N 2.78Å; A59-A62 WeakPolarHBondContact O-CB 3.25Å; A59-A62 PolarHBondContact O-N 2.86Å; A59-Y63 HydrophobicContact CB-CD2 4.37Å; A59-Y63 WeakPolarHBondContact O-CD2 3.35Å; A59-Y63 PolarHBondContact O-N 3.06Å; A59-Y139 HydrophobicContact CB-CD2 4.12Å; A59-Y139 HydrophobicContact CB-CE2 3.71Å
60	A	98.9	Very high	98.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-55.1	-34.6	176.8	0	0	0	0	0	113.4	W31 L32 A35 G56 A57 C58 A62 Y63 K64 Y139	W31-A60 HydrophobicContact CB-CB 3.7Å; L32-A60 HydrophobicContact CD2-CB 4.28Å; A35-A60 HydrophobicContact CB-CB 4.23Å; G56-A60 PolarHBondContact O-N 2.79Å; G56-A60 VanDerWaalsContact O-N 3.13Å; A57-A60 WeakPolarHBondContact O-CB 3.42Å; A57-A60 PolarHBondContact O-N 2.88Å; C58-A60 PolarHBondContact O-N 3.04Å; A60-A62 VanDerWaalsContact C-N 3.26Å; A60-A62 PolarHBondContact O-N 2.81Å; A60-Y63 PolarHBondContact O-N 3.18Å; A60-K64 WeakPolarHBondContact O-CB 3.43Å; A60-K64 PolarHBondContact O-N 2.74Å; A60-Y139 HydrophobicContact CB-CE1 4.28Å; A60-Y139 WeakPolarHBondContact CB-OH 3.34Å; A60-Y139 PolarHBondContact N-OH 3.15Å
61	H	98.9	Very high	98.7	Very high	52 Å²	52	30.8 Å²	30.8	24%	0.241	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-32.8	177.8	-72.5	-105.7	0	0	0	112.4	A57 C58 A59 Q65 L271 N272 A291	A57-H61 PolarHBondContact O-CD2 2.93Å; C58-H61 WeakPolarHBondContact O-CB 3.38Å; C58-H61 PolarHBondContact O-N 3.33Å; C58-H61 VanDerWaalsContact O-N 3.11Å; A59-H61 PolarHBondContact O-N 2.78Å; H61-Q65 WeakPolarHBondContact O-CG 3.43Å; H61-Q65 PolarHBondContact O-NE2 2.82Å; H61-L271 HydrophobicContact CB-CB 4.1Å; H61-L271 VanDerWaalsContact O-CD1 3.31Å; H61-L271 WeakPolarHBondContact O-CD1 3.29Å; H61-N272 HydrophobicContact CB-CB 3.83Å; H61-A291 HydrophobicContact CB-CB 4.07Å
62	A	98.9	Very high	98.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-77.3	-51.4	173.1	0	0	0	0	0	111.4	I45 A47 A59 A60 K64 Q65 A291	I45-A62 HydrophobicContact CB-CB 4.03Å; I45-A62 HydrophobicContact CD1-CB 4.2Å; I45-A62 HydrophobicContact CG2-CB 4.28Å; A47-A62 HydrophobicContact CB-CB 4.09Å; A59-A62 WeakPolarHBondContact O-CB 3.25Å; A59-A62 PolarHBondContact O-N 2.86Å; A60-A62 VanDerWaalsContact C-N 3.26Å; A60-A62 PolarHBondContact O-N 2.81Å; A62-K64 VanDerWaalsContact C-N 3.25Å; A62-K64 PolarHBondContact O-N 2.64Å; A62-Q65 VanDerWaalsContact O-CB 3.27Å; A62-Q65 WeakPolarHBondContact O-CB 3.38Å; A62-Q65 WeakPolarHBondContact O-CG 3.37Å; A62-Q65 PolarHBondContact O-N 2.98Å; A62-A291 HydrophobicContact CB-CB 3.86Å
63	Y	98.9	Very high	98.7	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-64.6	-27.9	-177	-81.5	-81.6	0	0	0	113.9	I45 A47 A59 A60 Q65 V66 H136 Y139 A143 I185	I45-Y63 HydrophobicContact CD1-CD1 4.1Å; I45-Y63 HydrophobicContact CD1-CD2 4.27Å; I45-Y63 HydrophobicContact CD1-CE1 3.96Å; I45-Y63 HydrophobicContact CD1-CE2 4.13Å; I45-Y63 HydrophobicContact CD1-CG 4.26Å; A47-Y63 HydrophobicContact CB-CE2 4.24Å; A59-Y63 HydrophobicContact CB-CD2 4.37Å; A59-Y63 WeakPolarHBondContact O-CD2 3.35Å; A59-Y63 PolarHBondContact O-N 3.06Å; A60-Y63 PolarHBondContact O-N 3.18Å; Y63-Q65 PolarHBondContact O-N 2.82Å; Y63-Q65 VanDerWaalsContact O-N 3.12Å; Y63-V66 HydrophobicContact CD1-CG2 4.44Å; Y63-V66 WeakPolarHBondContact O-CB 3.49Å; Y63-V66 PolarHBondContact O-N 2.99Å; Y63-V66 VanDerWaalsContact O-N 3.07Å; Y63-H136 AromaticContact CE2-ND1 3.96Å; Y63-H136 AromaticContact CZ-ND1 3.83Å; Y63-H136 VanDerWaalsContact OH-CA 3.27Å; Y63-H136 WeakPolarHBondContact OH-CA 3.31Å; Y63-H136 WeakPolarHBondContact OH-CB 3.42Å; Y63-H136 PolarHBondContact OH-ND1 3.26Å; Y63-H136 PolarHBondContact OH-O 3.21Å; Y63-Y139 HydrophobicContact CD1-CD1 4.15Å; Y63-Y139 HydrophobicContact CD1-CG 4.42Å; Y63-Y139 AromaticContact CD2-CD1 3.42Å; Y63-Y139 HydrophobicContact CD2-CD1 3.42Å; Y63-Y139 VanDerWaalsContact CD2-CD1 3.42Å; Y63-Y139 HydrophobicContact CD2-CD2 4.18Å; Y63-Y139 HydrophobicContact CD2-CE1 4.09Å; Y63-Y139 AromaticContact CD2-CG 3.5Å; Y63-Y139 HydrophobicContact CD2-CG 3.5Å; Y63-Y139 VanDerWaalsContact CE2-CB 3.43Å; Y63-Y139 HydrophobicContact CE2-CD1 4.05Å; Y63-Y139 HydrophobicContact CE2-CD2 4.18Å; Y63-Y139 AromaticContact CE2-CG 3.63Å; Y63-Y139 HydrophobicContact CE2-CG 3.63Å; Y63-Y139 AromaticContact CG-CD1 3.47Å; Y63-Y139 HydrophobicContact CG-CD1 3.47Å; Y63-Y139 VanDerWaalsContact CG-CD1 3.47Å; Y63-Y139 HydrophobicContact CG-CE1 4.24Å; Y63-Y139 AromaticContact CG-CG 3.92Å; Y63-Y139 HydrophobicContact CG-CG 3.92Å; Y63-Y139 VanDerWaalsContact CZ-CB 3.41Å; Y63-A143 HydrophobicContact CD1-CB 4.1Å; Y63-I185 HydrophobicContact CE1-CD1 3.76Å
64	K	98.7	Very high	98.7	Very high	52 Å²	52	29.8 Å²	29.8	23%	0.226	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-18.2	173.2	-169.7	63.9	167.4	-155.9	0	112.4	L32 A35 R40 A60 A62	L32-K64 HydrophobicContact CD2-CB 4.34Å; L32-K64 WeakPolarHBondContact O-CD 3.17Å; L32-K64 WeakPolarHBondContact O-CE 3.37Å; L32-K64 PolarHBondContact O-NZ 2.59Å; A35-K64 HydrophobicContact CB-CB 3.73Å; A35-K64 HydrophobicContact CB-CG 3.96Å; A35-K64 WeakPolarHBondContact O-CE 3.15Å; A35-K64 WeakPolarHBondContact O-CG 3.26Å; R40-K64 PolarHBondContact NE-O 2.76Å; R40-K64 PolarHBondContact NH2-O 2.76Å; A60-K64 WeakPolarHBondContact O-CB 3.43Å; A60-K64 PolarHBondContact O-N 2.74Å; A62-K64 VanDerWaalsContact C-N 3.25Å; A62-K64 PolarHBondContact O-N 2.64Å
65	Q	98.8	Very high	98.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-8.1	178	-49.2	-34.6	-50.7	0	0	113.7	Q36 I39 R40 A42 H61 A62 Y63 L271 A293	Q36-Q65 PolarHBondContact O-NE2 3.28Å; I39-Q65 HydrophobicContact CB-CG 4.35Å; I39-Q65 WeakPolarHBondContact O-CB 3.46Å; R40-Q65 WeakPolarHBondContact CG-O 3.48Å; A42-Q65 HydrophobicContact CB-CB 3.8Å; A42-Q65 VanDerWaalsContact CB-O 3.3Å; A42-Q65 WeakPolarHBondContact CB-O 3.25Å; A42-Q65 PolarHBondContact N-O 2.9Å; H61-Q65 WeakPolarHBondContact O-CG 3.43Å; H61-Q65 PolarHBondContact O-NE2 2.82Å; A62-Q65 VanDerWaalsContact O-CB 3.27Å; A62-Q65 WeakPolarHBondContact O-CB 3.38Å; A62-Q65 WeakPolarHBondContact O-CG 3.37Å; A62-Q65 PolarHBondContact O-N 2.98Å; Y63-Q65 PolarHBondContact O-N 2.82Å; Y63-Q65 VanDerWaalsContact O-N 3.12Å; Q65-L271 HydrophobicContact CG-CD1 3.37Å; Q65-A293 HydrophobicContact CB-CB 3.9Å; Q65-A293 HydrophobicContact CG-CB 3.8Å
66	V	98.8	Very high	98.8	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.018	12%	0.121	C	C	.	.			trans	-74.7	132.4	175	-179.6	0	0	0	0	109.4	R40 I45 Y63 M144 L183	R40-V66 PolarHBondContact NH2-O 3.18Å; I45-V66 HydrophobicContact CD1-CG2 4.45Å; Y63-V66 HydrophobicContact CD1-CG2 4.44Å; Y63-V66 WeakPolarHBondContact O-CB 3.49Å; Y63-V66 PolarHBondContact O-N 2.99Å; Y63-V66 VanDerWaalsContact O-N 3.07Å; V66-M144 HydrophobicContact CG1-SD 3.92Å; V66-L183 HydrophobicContact CB-CD2 4.36Å; V66-L183 HydrophobicContact CG1-CD2 3.84Å; V66-L183 HydrophobicContact CG2-CD1 4.33Å; V66-L183 HydrophobicContact CG2-CD2 3.56Å
67	D	98.6	Very high	98.8	Very high	35 Å²	35	22.2 Å²	22.2	19%	0.187	12%	0.121	C	C	.	.			trans	-103.8	108.6	172.9	-166.4	-28	0	0	0	110.1	P41 S69 V70 T71	P41-D67 HydrophobicContact CB-CB 3.73Å; D67-S69 VanDerWaalsContact CG-OG 3.3Å; D67-S69 PolarHBondContact O-N 3.24Å; D67-S69 WeakPolarHBondContact OD1-CB 3.34Å; D67-S69 PolarHBondContact OD1-N 3.47Å; D67-S69 PolarHBondContact OD1-OG 2.94Å; D67-S69 PolarHBondContact OD2-OG 2.64Å; D67-V70 HydrophobicContact CB-CB 4.41Å; D67-V70 HydrophobicContact CB-CG2 4.38Å; D67-V70 PolarHBondContact O-N 3.36Å; D67-T71 WeakPolarHBondContact O-CB 3.42Å; D67-T71 PolarHBondContact O-N 3.36Å; D67-T71 PolarHBondContact O-OG1 2.77Å
68	P	98.5	Very high	98.8	Very high	20 Å²	20	19.8 Å²	19.8	13%	0.13	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-20.1	-179.8	29.1	-35.3	0	0	0	113.1	V70 R72 M144	P68-V70 VanDerWaalsContact C-N 3.26Å; P68-V70 PolarHBondContact O-N 3.46Å; P68-R72 PolarHBondContact O-NH1 2.95Å; P68-M144 HydrophobicContact CB-CE 3.99Å; P68-M144 HydrophobicContact CB-SD 3.91Å
69	S	98.4	Very high	98.8	Very high	63 Å²	63	20 Å²	20	44%	0.441	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-24	176.8	73.4	0	0	0	0	112.6	D67 R72	D67-S69 VanDerWaalsContact CG-OG 3.3Å; D67-S69 PolarHBondContact O-N 3.24Å; D67-S69 WeakPolarHBondContact OD1-CB 3.34Å; D67-S69 PolarHBondContact OD1-N 3.47Å; D67-S69 PolarHBondContact OD1-OG 2.94Å; D67-S69 PolarHBondContact OD2-OG 2.64Å; S69-R72 PolarHBondContact O-NH1 3.15Å; S69-R72 VanDerWaalsContact O-NH1 3.14Å; S69-R72 PolarHBondContact O-NH2 3.14Å
70	V	98.5	Very high	98.8	Very high	52 Å²	52	21.1 Å²	21.1	32%	0.315	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-43.2	-178.4	178.8	0	0	0	0	112.1	P41 D67 P68 P180	P41-V70 HydrophobicContact CB-CB 4.5Å; P41-V70 HydrophobicContact CB-CG2 4.44Å; D67-V70 HydrophobicContact CB-CB 4.41Å; D67-V70 HydrophobicContact CB-CG2 4.38Å; D67-V70 PolarHBondContact O-N 3.36Å; P68-V70 VanDerWaalsContact C-N 3.26Å; P68-V70 PolarHBondContact O-N 3.46Å; V70-P180 VanDerWaalsContact CG1-O 3.29Å; V70-P180 WeakPolarHBondContact CG1-O 3.41Å
71	T	98.8	Very high	98.7	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.018	13%	0.127	C	C	.	.			trans	-73.2	131	-171	-53.1	0	0	0	0	111.5	D67 V74 M144 L183	D67-T71 WeakPolarHBondContact O-CB 3.42Å; D67-T71 PolarHBondContact O-N 3.36Å; D67-T71 PolarHBondContact O-OG1 2.77Å; T71-V74 HydrophobicContact CG2-CG2 3.83Å; T71-M144 HydrophobicContact CG2-CE 4.33Å; T71-M144 HydrophobicContact CG2-SD 4.34Å; T71-M144 VanDerWaalsContact O-CE 3.23Å; T71-M144 WeakPolarHBondContact O-CE 3.47Å; T71-L183 HydrophobicContact CG2-CB 3.6Å; T71-L183 HydrophobicContact CG2-CD2 4.36Å
72	R	98.8	Very high	98.4	Very high	69 Å²	69	27.7 Å²	27.7	26%	0.26	14%	0.14	S	C	.	.			trans	-128.6	-20.8	178.2	-62.2	-66.9	176.5	-80.7	0	113.7	P68 S69 E150 F151 S152 S181	P68-R72 PolarHBondContact O-NH1 2.95Å; S69-R72 PolarHBondContact O-NH1 3.15Å; S69-R72 VanDerWaalsContact O-NH1 3.14Å; S69-R72 PolarHBondContact O-NH2 3.14Å; R72-E150 WeakPolarHBondContact CD-O 3.11Å; R72-E150 IonicContact NE-OE2 3.63Å; R72-E150 IonicContact NH2-OE2 3.07Å; R72-F151 CarbonylContact O-C 3.54Å; R72-F151 WeakPolarHBondContact O-CA 3.41Å; R72-F151 WeakPolarHBondContact O-CB 3.34Å; R72-S152 PolarHBondContact O-N 3.17Å; R72-S181 PolarHBondContact N-O 3.35Å
73	R	98.9	Very high	98.2	Very high	52 Å²	52	30 Å²	30	20%	0.196	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	125.8	175.5	-65.8	173.2	-64.2	-162.2	-4.7	110.7	D106 S152 D179 S181 N182 L183	R73-D106 WeakPolarHBondContact CD-OD2 3.26Å; R73-S152 CarbonylContact C-O 3.57Å; R73-S152 WeakPolarHBondContact CA-O 3.48Å; R73-D179 IonicContact CZ-OD2 3.76Å; R73-D179 IonicContact NH2-OD1 2.84Å; R73-D179 IonicContact NH2-OD2 3.3Å; R73-D179 PolarHBondContact NH2-OD2 3.36Å; R73-S181 PolarHBondContact N-O 3.11Å; R73-N182 WeakPolarHBondContact CB-OD1 3.44Å; R73-N182 PolarHBondContact NE-OD1 2.57Å; R73-N182 PolarHBondContact NH2-OD1 3.06Å; R73-N182 CarbonylContact O-C 3.59Å; R73-N182 VanDerWaalsContact O-CA 3.28Å; R73-N182 WeakPolarHBondContact O-CA 3.44Å; R73-L183 PolarHBondContact O-N 3.02Å
74	V	98.9	Very high	98	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	105.3	-175.9	-176.5	0	0	0	0	110	T71 I76 T140 F151 S152 I153 V154 L183 I185	T71-V74 HydrophobicContact CG2-CG2 3.83Å; V74-I76 HydrophobicContact CG1-CG1 4.08Å; V74-T140 HydrophobicContact CB-CG2 4.24Å; V74-T140 HydrophobicContact CG1-CG2 3.94Å; V74-T140 HydrophobicContact CG2-CG2 4.05Å; V74-F151 HydrophobicContact CG2-CD2 4.11Å; V74-S152 PolarHBondContact N-O 3.31Å; V74-I153 HydrophobicContact CB-CG2 4.33Å; V74-I153 CarbonylContact O-C 3.57Å; V74-I153 VanDerWaalsContact O-CA 3.25Å; V74-I153 WeakPolarHBondContact O-CA 3.34Å; V74-V154 PolarHBondContact O-N 3.35Å; V74-L183 CarbonylContact C-O 3.58Å; V74-L183 WeakPolarHBondContact CA-O 3.38Å; V74-L183 HydrophobicContact CG1-CD2 4.05Å; V74-L183 HydrophobicContact CG1-CG 4.41Å; V74-L183 HydrophobicContact CG2-CB 4.39Å; V74-L183 HydrophobicContact CG2-CD2 4.27Å; V74-I185 HydrophobicContact CG1-CD1 3.42Å; V74-I185 VanDerWaalsContact CG1-CD1 3.42Å; V74-I185 HydrophobicContact CG1-CG1 3.76Å
75	F	98.9	Very high	98	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	132.7	170.3	-68.1	-106.1	0	0	0	109.2	L77 V109 V154 Y176 N182 L183 F184 I185	F75-L77 HydrophobicContact CB-CD1 3.92Å; F75-V109 HydrophobicContact CE1-CG1 3.76Å; F75-V109 HydrophobicContact CZ-CG1 3.71Å; F75-V154 WeakPolarHBondContact CA-O 3.38Å; F75-V154 HydrophobicContact CB-CB 4.45Å; F75-V154 HydrophobicContact CD1-CB 3.63Å; F75-V154 HydrophobicContact CD1-CG1 3.57Å; F75-V154 HydrophobicContact CD1-CG2 4.19Å; F75-V154 HydrophobicContact CD2-CB 4.42Å; F75-V154 HydrophobicContact CD2-CG2 4.37Å; F75-V154 HydrophobicContact CE1-CB 3.89Å; F75-V154 HydrophobicContact CE1-CG1 3.6Å; F75-V154 HydrophobicContact CE1-CG2 4.05Å; F75-V154 HydrophobicContact CE2-CG2 4.21Å; F75-V154 HydrophobicContact CG-CB 3.91Å; F75-V154 HydrophobicContact CG-CG1 4.37Å; F75-V154 HydrophobicContact CG-CG2 4.35Å; F75-V154 HydrophobicContact CZ-CB 4.37Å; F75-V154 HydrophobicContact CZ-CG1 4.39Å; F75-V154 HydrophobicContact CZ-CG2 4.05Å; F75-Y176 HydrophobicContact CE1-CD1 4.48Å; F75-Y176 HydrophobicContact CE1-CD2 4.36Å; F75-Y176 HydrophobicContact CE1-CG 4.13Å; F75-Y176 HydrophobicContact CE2-CD1 4.46Å; F75-Y176 HydrophobicContact CE2-CG 4.42Å; F75-Y176 AromaticContact CZ-CD1 3.68Å; F75-Y176 HydrophobicContact CZ-CD1 3.68Å; F75-Y176 HydrophobicContact CZ-CD2 4.28Å; F75-Y176 HydrophobicContact CZ-CE1 4.39Å; F75-Y176 AromaticContact CZ-CG 3.62Å; F75-Y176 HydrophobicContact CZ-CG 3.62Å; F75-N182 HydrophobicContact CD2-CB 4.49Å; F75-N182 HydrophobicContact CE2-CB 4.25Å; F75-L183 PolarHBondContact N-O 3.5Å; F75-F184 HydrophobicContact CB-CD1 3.76Å; F75-F184 HydrophobicContact CB-CD2 4.35Å; F75-F184 HydrophobicContact CB-CE1 3.78Å; F75-F184 HydrophobicContact CB-CE2 4.36Å; F75-F184 HydrophobicContact CB-CG 4.04Å; F75-F184 HydrophobicContact CB-CZ 4.09Å; F75-F184 AromaticContact CD1-CE1 3.93Å; F75-F184 HydrophobicContact CD1-CE1 3.93Å; F75-F184 AromaticContact CD1-CZ 3.85Å; F75-F184 HydrophobicContact CD1-CZ 3.85Å; F75-F184 HydrophobicContact CD2-CD2 4.28Å; F75-F184 HydrophobicContact CD2-CE1 4.39Å; F75-F184 AromaticContact CD2-CE2 3.75Å; F75-F184 HydrophobicContact CD2-CE2 3.75Å; F75-F184 AromaticContact CD2-CZ 3.82Å; F75-F184 HydrophobicContact CD2-CZ 3.82Å; F75-F184 HydrophobicContact CE1-CZ 4.21Å; F75-F184 HydrophobicContact CE2-CE2 4.2Å; F75-F184 HydrophobicContact CE2-CZ 4.2Å; F75-F184 HydrophobicContact CG-CD1 4.24Å; F75-F184 HydrophobicContact CG-CD2 4.45Å; F75-F184 AromaticContact CG-CE1 3.78Å; F75-F184 HydrophobicContact CG-CE1 3.78Å; F75-F184 AromaticContact CG-CE2 4Å; F75-F184 HydrophobicContact CG-CE2 4Å; F75-F184 AromaticContact CG-CZ 3.64Å; F75-F184 HydrophobicContact CG-CZ 3.64Å; F75-F184 HydrophobicContact CZ-CZ 4.38Å; F75-I185 PolarHBondContact O-N 3.16Å
76	I	98.9	Very high	97.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	106.5	178.1	-51.4	176.2	0	0	0	107.6	V74 I133 H136 L137 V154 V156 I185	V74-I76 HydrophobicContact CG1-CG1 4.08Å; I76-I133 HydrophobicContact CB-CG2 4.14Å; I76-I133 HydrophobicContact CG2-CB 4.35Å; I76-I133 HydrophobicContact CG2-CG2 3.77Å; I76-H136 HydrophobicContact CD1-CB 4.33Å; I76-H136 HydrophobicContact CG2-CB 3.89Å; I76-L137 HydrophobicContact CD1-CD2 3.81Å; I76-V154 PolarHBondContact N-O 3.32Å; I76-V156 PolarHBondContact O-N 3.02Å; I76-I185 HydrophobicContact CG1-CB 4.35Å; I76-I185 HydrophobicContact CG1-CD1 4.28Å; I76-I185 HydrophobicContact CG2-CB 4.44Å; I76-I185 HydrophobicContact CG2-CG2 4.5Å
77	L	98.9	Very high	97.9	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	106.1	-179.1	-78.7	64.7	0	0	0	108.5	F75 V156 V158 L173 F184 I185 I186 S187 P248 V251	F75-L77 HydrophobicContact CB-CD1 3.92Å; L77-V156 WeakPolarHBondContact CA-O 3.06Å; L77-V156 HydrophobicContact CD1-CB 4.31Å; L77-V156 HydrophobicContact CD1-CG2 4.46Å; L77-V156 HydrophobicContact CG-CB 4.18Å; L77-V158 HydrophobicContact CB-CG2 4Å; L77-V158 HydrophobicContact CD2-CG2 4.48Å; L77-V158 HydrophobicContact CG-CG2 4.2Å; L77-L173 HydrophobicContact CD2-CD1 4.02Å; L77-F184 HydrophobicContact CD1-CD1 3.97Å; L77-F184 HydrophobicContact CD1-CE1 4.24Å; L77-I185 PolarHBondContact N-O 2.9Å; L77-I186 HydrophobicContact CB-CD1 4Å; L77-I186 HydrophobicContact CD2-CD1 3.93Å; L77-I186 HydrophobicContact CG-CD1 4.4Å; L77-S187 WeakPolarHBondContact O-CB 3.41Å; L77-S187 PolarHBondContact O-N 3.12Å; L77-P248 HydrophobicContact CB-CB 4.22Å; L77-V251 HydrophobicContact CD2-CG1 3.98Å
78	G	98.8	Very high	97.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.5	179.9	0	0	0	0	0	112.8	S132 V156 V158	G78-S132 WeakPolarHBondContact CA-OG 3.4Å; G78-V156 PolarHBondContact N-O 2.89Å; G78-V156 VanDerWaalsContact N-O 3.1Å; G78-V158 PolarHBondContact O-N 2.61Å
79	P	98.8	Very high	97.9	Very high	8 Å²	8	40.4 Å²	40.4	5%	0.052	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	148.2	172.7	29.6	-36.1	0	0	0	111.7	S132 V158 S187 C244 P248	P79-S132 WeakPolarHBondContact O-CB 3.29Å; P79-S132 PolarHBondContact O-OG 3.12Å; P79-V158 CarbonylContact C-O 3.59Å; P79-V158 WeakPolarHBondContact CA-O 3.15Å; P79-S187 WeakPolarHBondContact CD-O 3.24Å; P79-C244 WeakPolarHBondContact CB-O 3.12Å; P79-P248 HydrophobicContact CB-CG 4.44Å
80	S	98.2	Very high	97.9	Very high	27 Å²	27	37.5 Å²	37.5	19%	0.189	20%	0.198	C	C	.	.			trans	-80	126.3	168.2	178.9	0	0	0	0	111.3	V83 E130 V158	S80-V83 VanDerWaalsContact OG-CG2 3.24Å; S80-V83 WeakPolarHBondContact OG-CG2 3.42Å; S80-V83 PolarHBondContact OG-N 2.93Å; S80-V83 PolarHBondContact OG-O 3.43Å; S80-E130 WeakPolarHBondContact CA-OE2 3.45Å; S80-V158 PolarHBondContact N-O 3.17Å
81	H	97.4	Very high	97.9	Very high	79 Å²	79	35 Å²	35	37%	0.366	18%	0.183	S	C	.	.	S	Bend	trans	-99.6	-29.2	174.1	-65.4	104.2	0	0	0	113.2	H49 E130 H131	H49-H81 AromaticContact NE2-CE1 3.39Å; H49-H81 PolarHBondContact NE2-CE1 3.04Å; H49-H81 AromaticContact NE2-NE2 3.65Å; H81-E130 IonicContact CE1-OE1 3.49Å; H81-E130 IonicContact CG-OE1 3.69Å; H81-E130 PolarHBondContact N-OE2 2.9Å; H81-E130 IonicContact ND1-OE1 2.93Å; H81-E130 PolarHBondContact ND1-OE1 2.95Å; H81-E130 IonicContact ND1-OE2 2.79Å; H81-H131 AromaticContact CE1-CE1 3.82Å; H81-H131 AromaticContact CE1-NE2 3.84Å; H81-H131 AromaticContact CG-CE1 3.88Å; H81-H131 AromaticContact ND1-CE1 3.4Å; H81-H131 PolarHBondContact ND1-CE1 2.97Å; H81-H131 AromaticContact ND1-NE2 3.87Å
82	H	93.6	Very high	97.8	Very high	111 Å²	111	36.6 Å²	36.6	51%	0.514	19%	0.192	S	C	.	.	S	Bend	trans	-103.2	-37.6	-167.3	-61.7	-75.6	0	0	0	113.5	D129 E130 H131	H82-D129 PolarHBondContact CD2-O 3.03Å; H82-D129 PolarHBondContact NE2-O 3.16Å; H82-E130 IonicContact CD2-OE2 2.87Å; H82-H131 AromaticContact NE2-ND1 4Å
83	V	94.4	Very high	97.8	Very high	49 Å²	49	33.3 Å²	33.3	30%	0.297	18%	0.18	S	C	.	.	S	Bend	trans	-109.9	137.6	-173.5	-62	0	0	0	0	112	S80 L85 T126 L157	S80-V83 VanDerWaalsContact OG-CG2 3.24Å; S80-V83 WeakPolarHBondContact OG-CG2 3.42Å; S80-V83 PolarHBondContact OG-N 2.93Å; S80-V83 PolarHBondContact OG-O 3.43Å; V83-L85 PolarHBondContact O-N 3.28Å; V83-T126 HydrophobicContact CB-CG2 4.36Å; V83-T126 HydrophobicContact CG1-CG2 3.75Å; V83-T126 HydrophobicContact CG2-CG2 3.68Å; V83-L157 HydrophobicContact CG2-CD2 4.27Å
84	P	94.9	Very high	97.8	Very high	133 Å²	133	33.3 Å²	33.3	86%	0.864	18%	0.184	S	C	*	.			trans	-67.4	115.2	169.6	28.6	-32.2	0	0	0	108.8
85	L	97.4	Very high	97.8	Very high	17 Å²	17	34.2 Å²	34.2	9%	0.089	19%	0.189	C	C	.	.			trans	-135.3	126.1	-178.8	-177.9	67.1	0	0	0	107.9	V83 R87 A89 E120 L157 G159 A160	V83-L85 PolarHBondContact O-N 3.28Å; L85-R87 WeakPolarHBondContact CD2-O 3.36Å; L85-R87 VanDerWaalsContact CG-O 3.28Å; L85-R87 WeakPolarHBondContact CG-O 3.38Å; L85-A89 HydrophobicContact CD1-CB 4.36Å; L85-A89 HydrophobicContact CD2-CB 3.94Å; L85-E120 HydrophobicContact CD1-CB 4.46Å; L85-E120 WeakPolarHBondContact CD1-OE2 3.3Å; L85-L157 HydrophobicContact CD2-CD2 4.16Å; L85-L157 HydrophobicContact CD2-CG 4.14Å; L85-G159 CarbonylContact O-C 3.58Å; L85-G159 WeakPolarHBondContact O-CA 3.21Å; L85-A160 PolarHBondContact O-N 2.86Å
86	S	97.2	Very high	97.8	Very high	77 Å²	77	34.2 Å²	34.2	54%	0.538	19%	0.189	S	C	.	.	S	Bend	trans	-101	3	179.8	62.3	0	0	0	0	113.3
87	R	98.3	Very high	97.8	Very high	100 Å²	100	39 Å²	39	38%	0.377	21%	0.207	S	C	.	.	S	Bend	trans	-136.1	-164.6	-174.3	-68.9	-175	-176.9	-177.4	1.3	109.4	L85 G159 Y169	L85-R87 WeakPolarHBondContact CD2-O 3.36Å; L85-R87 VanDerWaalsContact CG-O 3.28Å; L85-R87 WeakPolarHBondContact CG-O 3.38Å; R87-G159 WeakPolarHBondContact O-CA 3.48Å; R87-G159 PolarHBondContact O-N 2.79Å; R87-Y169 WeakPolarHBondContact CB-OH 3.21Å
88	C	98.9	Very high	97.8	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.027	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	152.7	165.5	-62.8	0	0	0	0	110.4	F119 E120 V156 L157 Y169	C88-F119 HydrophobicContact CB-CD1 3.58Å; C88-F119 HydrophobicContact CB-CE1 3.55Å; C88-F119 VanDerWaalsContact O-CA 3.3Å; C88-F119 WeakPolarHBondContact O-CA 3.48Å; C88-E120 PolarHBondContact O-N 3.38Å; C88-V156 HydrophobicContact CB-CG1 3.81Å; C88-L157 CarbonylContact C-O 3.53Å; C88-L157 WeakPolarHBondContact CA-O 3.29Å; C88-Y169 HydrophobicContact CB-CD1 4.38Å; C88-Y169 HydrophobicContact CB-CE1 3.75Å; C88-Y169 HydrophobicContact CB-CE2 4.3Å; C88-Y169 PolarHBondContact N-OH 3.4Å
89	A	98.8	Very high	97.8	Very high	3 Å²	3	40.9 Å²	40.9	3%	0.025	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	149.7	177.8	0	0	0	0	0	112.1	L85 E120 M122 L157	L85-A89 HydrophobicContact CD1-CB 4.36Å; L85-A89 HydrophobicContact CD2-CB 3.94Å; A89-E120 CarbonylContact C-O 3.56Å; A89-E120 WeakPolarHBondContact CA-O 3.28Å; A89-E120 HydrophobicContact CB-CB 4.17Å; A89-M122 HydrophobicContact CB-CG 3.43Å; A89-M122 VanDerWaalsContact CB-CG 3.43Å; A89-M122 HydrophobicContact CB-SD 4.31Å; A89-L157 HydrophobicContact CB-CB 4.36Å; A89-L157 PolarHBondContact N-O 2.9Å; A89-L157 PolarHBondContact O-N 2.91Å
90	L	98.8	Very high	97.8	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	149.5	179.1	-58.2	178.4	0	0	0	110.8	Y110 L113 F119 E120 M122 V156	L90-Y110 HydrophobicContact CB-CD1 4.38Å; L90-Y110 HydrophobicContact CB-CE1 3.92Å; L90-Y110 HydrophobicContact CD2-CD2 4.4Å; L90-Y110 HydrophobicContact CD2-CE2 3.91Å; L90-L113 HydrophobicContact CD1-CB 3.87Å; L90-L113 HydrophobicContact CD2-CD1 4.12Å; L90-F119 HydrophobicContact CD1-CB 4Å; L90-F119 HydrophobicContact CD1-CD1 4.29Å; L90-F119 HydrophobicContact CD1-CG 4.02Å; L90-F119 HydrophobicContact CD2-CD1 3.71Å; L90-F119 HydrophobicContact CD2-CE1 4.05Å; L90-F119 HydrophobicContact CD2-CG 4.29Å; L90-F119 HydrophobicContact CG-CB 3.89Å; L90-F119 HydrophobicContact CG-CD1 3.76Å; L90-F119 HydrophobicContact CG-CG 3.92Å; L90-E120 PolarHBondContact N-O 3.4Å; L90-M122 PolarHBondContact O-N 2.9Å; L90-V156 HydrophobicContact CD2-CG2 4.02Å
91	S	98.4	Very high	97.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.228	C	C	.	.			trans	-65.4	146.4	179.9	-177.7	0	0	0	0	112.8	A93 Y96 Y110 R121 D127	S91-A93 VanDerWaalsContact C-N 3.3Å; S91-A93 WeakPolarHBondContact OG-CB 3.43Å; S91-A93 PolarHBondContact OG-N 2.65Å; S91-Y96 WeakPolarHBondContact CB-OH 3.28Å; S91-Y96 WeakPolarHBondContact OG-CE1 3.19Å; S91-Y96 PolarHBondContact OG-OH 3.34Å; S91-Y110 WeakPolarHBondContact CB-OH 3.12Å; S91-Y110 PolarHBondContact N-OH 2.88Å; S91-Y110 VanDerWaalsContact N-OH 3.14Å; S91-R121 VanDerWaalsContact O-CZ 3.31Å; S91-R121 PolarHBondContact O-NE 3.48Å; S91-R121 PolarHBondContact O-NH2 3.25Å; S91-D127 WeakPolarHBondContact CB-OD2 3.49Å; S91-D127 PolarHBondContact OG-OD2 2.88Å
92	P	97.1	Very high	97.9	Very high	35 Å²	35	43.4 Å²	43.4	23%	0.227	23%	0.23	C	C	.	.	S	Bend	trans	-78	-13.8	163.9	34.3	-34.5	0	0	0	113.3	M122 L124	P92-M122 WeakPolarHBondContact CD-O 3.32Å; P92-M122 WeakPolarHBondContact CG-O 3.45Å; P92-L124 HydrophobicContact CG-CB 4.26Å
93	A	98.2	Very high	98.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.			trans	-77.1	163.6	-175.4	0	0	0	0	0	113	V6 R8 S91 Y96 I105	V6-A93 HydrophobicContact CG1-CB 4.19Å; R8-A93 HydrophobicContact CB-CB 4.15Å; S91-A93 VanDerWaalsContact C-N 3.3Å; S91-A93 WeakPolarHBondContact OG-CB 3.43Å; S91-A93 PolarHBondContact OG-N 2.65Å; A93-Y96 HydrophobicContact CB-CD1 4.31Å; A93-Y96 HydrophobicContact CB-CE1 4.12Å; A93-I105 WeakPolarHBondContact O-CD1 3.26Å
94	D	98.5	Very high	98.3	Very high	52 Å²	52	44 Å²	44	28%	0.278	22%	0.223	S	C	.	.	S	Bend	trans	-101.2	-27	169.2	-59	-60.7	0	0	0	111.5	V5 V6 I105 Q107	V5-D94 HydrophobicContact CG1-CB 3.91Å; V6-D94 PolarHBondContact N-OD2 3.06Å; V6-D94 PolarHBondContact O-N 2.88Å; D94-I105 PolarHBondContact O-N 2.91Å; D94-Q107 PolarHBondContact OD1-NE2 3.03Å
95	V	98.8	Very high	98.5	Very high	19 Å²	19	38.1 Å²	38.1	12%	0.115	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	136.8	-171.6	178.1	0	0	0	0	109.9	V5 V6 C7 R8 D102 L103	V5-V95 HydrophobicContact CG1-CG2 3.76Å; V6-V95 PolarHBondContact O-N 3.24Å; C7-V95 CarbonylContact C-O 3.55Å; C7-V95 WeakPolarHBondContact CA-O 3.39Å; R8-V95 PolarHBondContact N-O 2.8Å; V95-D102 HydrophobicContact CG1-CB 3.62Å; V95-L103 CarbonylContact C-O 3.38Å; V95-L103 WeakPolarHBondContact CA-O 3.44Å
96	Y	98.9	Very high	98.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.4	168.8	-84.2	33	0	0	0	108.8	R8 S91 A93 L103 I105 D127 I133 L137 I153 P155	R8-Y96 HydrophobicContact CB-CD1 3.71Å; R8-Y96 HydrophobicContact CB-CE1 3.88Å; R8-Y96 HydrophobicContact CB-CG 4.21Å; R8-Y96 HydrophobicContact CG-CD1 4.43Å; R8-Y96 HydrophobicContact CG-CE1 4.35Å; S91-Y96 WeakPolarHBondContact CB-OH 3.28Å; S91-Y96 WeakPolarHBondContact OG-CE1 3.19Å; S91-Y96 PolarHBondContact OG-OH 3.34Å; A93-Y96 HydrophobicContact CB-CD1 4.31Å; A93-Y96 HydrophobicContact CB-CE1 4.12Å; Y96-L103 PolarHBondContact N-O 3.15Å; Y96-L103 PolarHBondContact O-N 2.77Å; Y96-I105 HydrophobicContact CD1-CD1 3.93Å; Y96-I105 HydrophobicContact CD1-CG1 4.34Å; Y96-I105 HydrophobicContact CE1-CD1 3.67Å; Y96-D127 VanDerWaalsContact CZ-OD1 3.3Å; Y96-D127 PolarHBondContact OH-OD1 3.41Å; Y96-D127 PolarHBondContact OH-OD2 3.21Å; Y96-I133 HydrophobicContact CE2-CG2 4.1Å; Y96-L137 HydrophobicContact CD2-CD1 3.6Å; Y96-L137 HydrophobicContact CD2-CD2 3.75Å; Y96-L137 HydrophobicContact CD2-CG 4.28Å; Y96-L137 HydrophobicContact CG-CD1 4.34Å; Y96-I153 HydrophobicContact CD2-CD1 4.19Å; Y96-I153 HydrophobicContact CG-CD1 4.03Å; Y96-P155 HydrophobicContact CD2-CG 4.2Å; Y96-P155 HydrophobicContact CE1-CG 4.08Å; Y96-P155 HydrophobicContact CE2-CB 3.97Å; Y96-P155 HydrophobicContact CE2-CG 3.74Å
97	R	98.9	Very high	98.6	Very high	100 Å²	100	39.1 Å²	39.1	38%	0.377	18%	0.18	S	C	.	.			trans	-77.6	148.4	-179	-60.4	-173.6	74	-170	-2.6	111.3	C7 R8 E9 D102	C7-R97 HydrophobicContact CB-CG 4.29Å; R8-R97 WeakPolarHBondContact O-CG 3.47Å; R8-R97 PolarHBondContact O-N 3.33Å; E9-R97 VanDerWaalsContact CD-NH1 3.31Å; E9-R97 WeakPolarHBondContact OE1-CD 3.39Å; E9-R97 IonicContact OE1-CZ 3.88Å; E9-R97 IonicContact OE1-NE 3.98Å; E9-R97 IonicContact OE1-NH1 2.96Å; E9-R97 PolarHBondContact OE1-NH1 2.67Å; E9-R97 WeakPolarHBondContact OE2-CD 3.34Å; E9-R97 IonicContact OE2-CZ 3.61Å; E9-R97 IonicContact OE2-NE 3.86Å; E9-R97 IonicContact OE2-NH1 2.81Å; E9-R97 PolarHBondContact OE2-NH1 3.19Å; R97-D102 VanDerWaalsContact CA-OD1 3.26Å; R97-D102 WeakPolarHBondContact CA-OD1 3.38Å; R97-D102 WeakPolarHBondContact CB-OD1 3.49Å; R97-D102 IonicContact NE-OD1 3.94Å; R97-D102 IonicContact NE-OD2 3.93Å
98	T	98.8	Very high	98.6	Very high	13 Å²	13	41.8 Å²	41.8	8%	0.08	20%	0.195	C	C	.	.			trans	-139.5	160.1	169.7	86.1	0	0	0	0	110.1	L100 Y101 D102 L103 L137	T98-L100 PolarHBondContact O-N 2.98Å; T98-L100 PolarHBondContact OG1-N 3.14Å; T98-L100 VanDerWaalsContact OG1-N 3.15Å; T98-Y101 PolarHBondContact OG1-N 2.76Å; T98-Y101 VanDerWaalsContact OG1-N 3.14Å; T98-Y101 PolarHBondContact OG1-O 2.91Å; T98-D102 PolarHBondContact N-OD1 3.1Å; T98-L103 HydrophobicContact CG2-CD1 4.13Å; T98-L103 HydrophobicContact CG2-CG 4.06Å; T98-L137 HydrophobicContact CG2-CB 3.64Å
99	P	98.8	Very high	98.6	Very high	30 Å²	30	41.8 Å²	41.8	20%	0.195	19%	0.194	C	C	.	.	S	Bend	trans	-64.2	-14.2	173.2	-26.2	37	0	0	0	115.2	A13 Y17 G21 L24	A13-P99 HydrophobicContact CB-CG 4.25Å; Y17-P99 HydrophobicContact CD2-CG 4.35Å; Y17-P99 HydrophobicContact CE2-CG 3.75Å; G21-P99 WeakPolarHBondContact CA-O 3.46Å; L24-P99 HydrophobicContact CD2-CB 3.92Å; L24-P99 HydrophobicContact CD2-CG 3.87Å
100	L	98.8	Very high	98.6	Very high	44 Å²	44	42 Å²	42	23%	0.23	20%	0.195	C	C	.	.	S	Bend	trans	-92.1	-61	-179.6	-57.1	-171.4	0	0	0	111.1	G21 L24 N25 L28 T98 A141 K142	G21-L100 VanDerWaalsContact O-CD2 3.3Å; G21-L100 WeakPolarHBondContact O-CD2 3.4Å; L24-L100 HydrophobicContact CB-CD2 4.41Å; N25-L100 HydrophobicContact CB-CD2 3.77Å; L28-L100 HydrophobicContact CD1-CD1 4.14Å; T98-L100 PolarHBondContact O-N 2.98Å; T98-L100 PolarHBondContact OG1-N 3.14Å; T98-L100 VanDerWaalsContact OG1-N 3.15Å; L100-A141 HydrophobicContact CB-CB 4.27Å; L100-A141 HydrophobicContact CD1-CB 4.14Å; L100-K142 HydrophobicContact CD1-CB 4Å
101	Y	98.8	Very high	98.6	Very high	47 Å²	47	43.9 Å²	43.9	18%	0.184	21%	0.211	C	C	.	.			trans	-163.9	157	172.4	58.3	-91.3	0	0	0	109.6	T98 L103 A141 K148 F151	T98-Y101 PolarHBondContact OG1-N 2.76Å; T98-Y101 VanDerWaalsContact OG1-N 3.14Å; T98-Y101 PolarHBondContact OG1-O 2.91Å; Y101-L103 HydrophobicContact CD2-CD2 3.88Å; Y101-L103 HydrophobicContact CE2-CD2 3.48Å; Y101-L103 VanDerWaalsContact CE2-CD2 3.48Å; Y101-A141 HydrophobicContact CD1-CB 4.28Å; Y101-A141 HydrophobicContact CE1-CB 3.76Å; Y101-A141 WeakPolarHBondContact CE1-O 3.23Å; Y101-A141 HydrophobicContact CE2-CB 4.19Å; Y101-A141 VanDerWaalsContact CZ-O 3.24Å; Y101-A141 VanDerWaalsContact OH-CA 3.29Å; Y101-A141 WeakPolarHBondContact OH-CA 3.35Å; Y101-A141 PolarHBondContact OH-O 2.94Å; Y101-K148 HydrophobicContact CD2-CB 4.36Å; Y101-K148 HydrophobicContact CE1-CB 4.05Å; Y101-K148 HydrophobicContact CE2-CB 3.75Å; Y101-F151 AromaticContact CE2-CE1 3.97Å; Y101-F151 HydrophobicContact CE2-CE1 3.97Å; Y101-F151 HydrophobicContact CE2-CZ 4.1Å; Y101-F151 WeakPolarHBondContact OH-CE1 3.14Å
102	D	98.8	Very high	98.6	Very high	76 Å²	76	46.7 Å²	46.7	41%	0.406	23%	0.225	S	C	.	.			trans	-77.9	143	-175.7	-63.8	-16.1	0	0	0	111.8	V95 R97 T98	V95-D102 HydrophobicContact CG1-CB 3.62Å; R97-D102 VanDerWaalsContact CA-OD1 3.26Å; R97-D102 WeakPolarHBondContact CA-OD1 3.38Å; R97-D102 WeakPolarHBondContact CB-OD1 3.49Å; R97-D102 IonicContact NE-OD1 3.94Å; R97-D102 IonicContact NE-OD2 3.93Å; T98-D102 PolarHBondContact N-OD1 3.1Å
103	L	98.9	Very high	98.7	Very high	2 Å²	2	45 Å²	45	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.7	-176.5	-56.9	-176.2	0	0	0	110.8	V95 Y96 T98 Y101 L137 A141 F151 I153	V95-L103 CarbonylContact C-O 3.38Å; V95-L103 WeakPolarHBondContact CA-O 3.44Å; Y96-L103 PolarHBondContact N-O 3.15Å; Y96-L103 PolarHBondContact O-N 2.77Å; T98-L103 HydrophobicContact CG2-CD1 4.13Å; T98-L103 HydrophobicContact CG2-CG 4.06Å; Y101-L103 HydrophobicContact CD2-CD2 3.88Å; Y101-L103 HydrophobicContact CE2-CD2 3.48Å; Y101-L103 VanDerWaalsContact CE2-CD2 3.48Å; L103-L137 HydrophobicContact CD1-CB 4.05Å; L103-L137 HydrophobicContact CD1-CD2 4.13Å; L103-A141 HydrophobicContact CD2-CB 4.15Å; L103-F151 HydrophobicContact CD2-CE1 4.4Å; L103-F151 HydrophobicContact CD2-CE2 4.04Å; L103-F151 HydrophobicContact CD2-CZ 3.5Å; L103-I153 HydrophobicContact CB-CD1 3.74Å; L103-I153 HydrophobicContact CB-CG1 4.14Å; L103-I153 HydrophobicContact CB-CG2 4.18Å; L103-I153 HydrophobicContact CD1-CD1 4.34Å; L103-I153 HydrophobicContact CD1-CG2 4.01Å
104	R	98.9	Very high	98.7	Very high	171 Å²	171	50.9 Å²	50.9	65%	0.645	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	136.2	-178.6	-64.2	-179.3	-178.1	152.6	3.3	111.6	S152 I153	R104-S152 CarbonylContact O-C 3.59Å; R104-S152 WeakPolarHBondContact O-CA 3.37Å; R104-S152 WeakPolarHBondContact O-CB 3.29Å; R104-I153 WeakPolarHBondContact O-CG1 3.06Å; R104-I153 PolarHBondContact O-N 2.93Å
105	I	98.9	Very high	98.7	Very high	8 Å²	8	56 Å²	56	4%	0.041	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-76	136.6	172.7	-62.1	-170.1	0	0	0	110.5	A93 D94 Y96 Q107 Y110 I153 P155	A93-I105 WeakPolarHBondContact O-CD1 3.26Å; D94-I105 PolarHBondContact O-N 2.91Å; Y96-I105 HydrophobicContact CD1-CD1 3.93Å; Y96-I105 HydrophobicContact CD1-CG1 4.34Å; Y96-I105 HydrophobicContact CE1-CD1 3.67Å; I105-Q107 PolarHBondContact O-N 2.76Å; I105-Y110 HydrophobicContact CD1-CE1 4.02Å; I105-Y110 HydrophobicContact CG2-CD1 3.61Å; I105-Y110 HydrophobicContact CG2-CD2 3.78Å; I105-Y110 HydrophobicContact CG2-CE1 3.59Å; I105-Y110 HydrophobicContact CG2-CE2 3.79Å; I105-Y110 HydrophobicContact CG2-CG 3.72Å; I105-I153 CarbonylContact C-O 3.59Å; I105-I153 VanDerWaalsContact CA-O 3.31Å; I105-I153 WeakPolarHBondContact CA-O 3.21Å; I105-I153 HydrophobicContact CG1-CG1 4.25Å; I105-P155 HydrophobicContact CD1-CG 4.06Å; I105-P155 HydrophobicContact CG1-CG 4.31Å
106	D	98.8	Very high	98.7	Very high	27 Å²	27	57.5 Å²	57.5	14%	0.144	27%	0.266	C	S	.	.			trans	-71.3	95.9	173	-164.2	-55.6	0	0	0	111.2	R73 K108 V109 Y110 S152 I153 V154	R73-D106 WeakPolarHBondContact CD-OD2 3.26Å; D106-K108 PolarHBondContact O-N 2.77Å; D106-K108 WeakPolarHBondContact OD1-CB 3.5Å; D106-K108 PolarHBondContact OD1-N 2.85Å; D106-K108 VanDerWaalsContact OD1-N 3.09Å; D106-V109 HydrophobicContact CB-CB 4.1Å; D106-V109 HydrophobicContact CB-CG2 4.23Å; D106-V109 PolarHBondContact O-N 2.75Å; D106-V109 WeakPolarHBondContact OD1-CG2 3.41Å; D106-V109 PolarHBondContact OD1-N 2.87Å; D106-Y110 WeakPolarHBondContact O-CB 3.4Å; D106-Y110 PolarHBondContact O-N 3.1Å; D106-S152 WeakPolarHBondContact CB-OG 3.34Å; D106-S152 PolarHBondContact OD2-OG 3.47Å; D106-S152 VanDerWaalsContact OD2-OG 3.06Å; D106-I153 PolarHBondContact N-O 2.85Å; D106-V154 HydrophobicContact CB-CG2 3.91Å
107	Q	98.3	Very high	98.7	Very high	88 Å²	88	60 Å²	60	41%	0.411	29%	0.292	S	S	.	.	H	α-helix	trans	-63.2	-28.9	-177.4	-62.2	-59	-35.7	0	0	113.3	D94 I105 A111	D94-Q107 PolarHBondContact OD1-NE2 3.03Å; I105-Q107 PolarHBondContact O-N 2.76Å; Q107-A111 WeakPolarHBondContact O-CB 3.39Å; Q107-A111 PolarHBondContact O-N 3.43Å
108	K	98.4	Very high	98.6	Very high	157 Å²	157	56.8 Å²	56.8	68%	0.683	28%	0.282	S	S	*	.	H	α-helix	trans	-71.4	-49	178.7	-177.9	-178.9	175.8	-177.1	0	110.1	D106 Y110 A111 D112	D106-K108 PolarHBondContact O-N 2.77Å; D106-K108 WeakPolarHBondContact OD1-CB 3.5Å; D106-K108 PolarHBondContact OD1-N 2.85Å; D106-K108 VanDerWaalsContact OD1-N 3.09Å; K108-Y110 VanDerWaalsContact C-N 3.34Å; K108-A111 PolarHBondContact O-N 3.42Å; K108-D112 PolarHBondContact O-N 3.08Å
109	V	98.7	Very high	98.6	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.018	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-43.6	176.1	174.8	0	0	0	0	110.5	F75 D106 A111 D112 L113 V154 Y176	F75-V109 HydrophobicContact CE1-CG1 3.76Å; F75-V109 HydrophobicContact CZ-CG1 3.71Å; D106-V109 HydrophobicContact CB-CB 4.1Å; D106-V109 HydrophobicContact CB-CG2 4.23Å; D106-V109 PolarHBondContact O-N 2.75Å; D106-V109 WeakPolarHBondContact OD1-CG2 3.41Å; D106-V109 PolarHBondContact OD1-N 2.87Å; V109-A111 VanDerWaalsContact C-N 3.33Å; V109-A111 PolarHBondContact O-N 3.03Å; V109-D112 PolarHBondContact O-N 2.97Å; V109-D112 VanDerWaalsContact O-N 3.14Å; V109-L113 HydrophobicContact CG1-CD1 3.94Å; V109-L113 HydrophobicContact CG1-CG 4.07Å; V109-L113 WeakPolarHBondContact O-CG 3.5Å; V109-L113 PolarHBondContact O-N 3.33Å; V109-V154 HydrophobicContact CB-CG2 4.17Å; V109-V154 HydrophobicContact CG1-CG1 3.84Å; V109-V154 HydrophobicContact CG1-CG2 3.94Å; V109-Y176 HydrophobicContact CG1-CE1 4.08Å; V109-Y176 HydrophobicContact CG2-CE1 4.17Å
110	Y	98.5	Very high	98.6	Very high	8 Å²	8	59 Å²	59	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-42.2	176	-100.5	-143.5	0	0	0	112.7	L90 S91 I105 D106 K108 D112 L113 W114 V154 P155	L90-Y110 HydrophobicContact CB-CD1 4.38Å; L90-Y110 HydrophobicContact CB-CE1 3.92Å; L90-Y110 HydrophobicContact CD2-CD2 4.4Å; L90-Y110 HydrophobicContact CD2-CE2 3.91Å; S91-Y110 WeakPolarHBondContact CB-OH 3.12Å; S91-Y110 PolarHBondContact N-OH 2.88Å; S91-Y110 VanDerWaalsContact N-OH 3.14Å; I105-Y110 HydrophobicContact CD1-CE1 4.02Å; I105-Y110 HydrophobicContact CG2-CD1 3.61Å; I105-Y110 HydrophobicContact CG2-CD2 3.78Å; I105-Y110 HydrophobicContact CG2-CE1 3.59Å; I105-Y110 HydrophobicContact CG2-CE2 3.79Å; I105-Y110 HydrophobicContact CG2-CG 3.72Å; D106-Y110 WeakPolarHBondContact O-CB 3.4Å; D106-Y110 PolarHBondContact O-N 3.1Å; K108-Y110 VanDerWaalsContact C-N 3.34Å; Y110-D112 VanDerWaalsContact C-N 3.34Å; Y110-D112 PolarHBondContact O-N 3.42Å; Y110-L113 PolarHBondContact O-N 3.44Å; Y110-W114 VanDerWaalsContact O-CB 3.24Å; Y110-W114 WeakPolarHBondContact O-CB 3.32Å; Y110-W114 PolarHBondContact O-N 3.29Å; Y110-V154 HydrophobicContact CD2-CG1 3.86Å; Y110-V154 HydrophobicContact CE2-CB 4.48Å; Y110-V154 HydrophobicContact CE2-CG1 3.67Å; Y110-P155 WeakPolarHBondContact CE2-O 3.25Å; Y110-P155 WeakPolarHBondContact OH-CD 3.43Å; Y110-P155 PolarHBondContact OH-O 2.86Å
111	A	98.4	Very high	98.6	Very high	42 Å²	42	62.7 Å²	62.7	35%	0.347	30%	0.3	S	S	.	.	H	α-helix	trans	-63.1	-40.7	175.1	0	0	0	0	0	112	Q107 K108 V109 K115	Q107-A111 WeakPolarHBondContact O-CB 3.39Å; Q107-A111 PolarHBondContact O-N 3.43Å; K108-A111 PolarHBondContact O-N 3.42Å; V109-A111 VanDerWaalsContact C-N 3.33Å; V109-A111 PolarHBondContact O-N 3.03Å; A111-K115 WeakPolarHBondContact O-CB 3.34Å; A111-K115 WeakPolarHBondContact O-CD 3.32Å; A111-K115 WeakPolarHBondContact O-CG 3.32Å; A111-K115 PolarHBondContact O-N 2.78Å
112	D	98.6	Very high	98.5	Very high	58 Å²	58	61 Å²	61	31%	0.31	29%	0.294	S	S	.	.	H	α-helix	trans	-66.6	-43.6	177.3	-70.6	-16.2	0	0	0	112	K108 V109 Y110 T116 Y176	K108-D112 PolarHBondContact O-N 3.08Å; V109-D112 PolarHBondContact O-N 2.97Å; V109-D112 VanDerWaalsContact O-N 3.14Å; Y110-D112 VanDerWaalsContact C-N 3.34Å; Y110-D112 PolarHBondContact O-N 3.42Å; D112-T116 WeakPolarHBondContact O-CG2 3.32Å; D112-Y176 WeakPolarHBondContact CB-OH 3.41Å
113	L	98.8	Very high	98.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-45.2	175.5	-67.8	180	0	0	0	110.9	L90 V109 Y110 K115 T116 F119 V154 L172 L173 Y176	L90-L113 HydrophobicContact CD1-CB 3.87Å; L90-L113 HydrophobicContact CD2-CD1 4.12Å; V109-L113 HydrophobicContact CG1-CD1 3.94Å; V109-L113 HydrophobicContact CG1-CG 4.07Å; V109-L113 WeakPolarHBondContact O-CG 3.5Å; V109-L113 PolarHBondContact O-N 3.33Å; Y110-L113 PolarHBondContact O-N 3.44Å; L113-K115 PolarHBondContact O-N 3.46Å; L113-T116 WeakPolarHBondContact O-CB 3.44Å; L113-T116 WeakPolarHBondContact O-CG2 3.38Å; L113-T116 PolarHBondContact O-N 2.86Å; L113-T116 PolarHBondContact O-OG1 3.49Å; L113-F119 HydrophobicContact CB-CD2 4.1Å; L113-F119 HydrophobicContact CB-CE2 3.82Å; L113-F119 HydrophobicContact CB-CZ 4.25Å; L113-F119 HydrophobicContact CD1-CZ 4.4Å; L113-F119 HydrophobicContact CD2-CE2 3.96Å; L113-F119 HydrophobicContact CD2-CZ 3.95Å; L113-F119 HydrophobicContact CG-CE2 4.37Å; L113-F119 HydrophobicContact CG-CZ 4.43Å; L113-F119 VanDerWaalsContact O-CD2 3.25Å; L113-F119 WeakPolarHBondContact O-CD2 3.5Å; L113-V154 HydrophobicContact CD1-CG1 3.89Å; L113-L172 HydrophobicContact CD2-CD2 4.21Å; L113-L173 HydrophobicContact CD2-CD2 3.92Å; L113-Y176 HydrophobicContact CD2-CE2 3.81Å
114	W	98.6	Very high	98.4	Very high	123 Å²	123	62.9 Å²	62.9	47%	0.466	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-42.9	179.3	-175.3	-109	0	0	0	112.7	Y110 T116 G117 F119 R121	Y110-W114 VanDerWaalsContact O-CB 3.24Å; Y110-W114 WeakPolarHBondContact O-CB 3.32Å; Y110-W114 PolarHBondContact O-N 3.29Å; W114-T116 PolarHBondContact O-N 3.43Å; W114-T116 VanDerWaalsContact O-N 3.07Å; W114-G117 PolarHBondContact O-N 3.23Å; W114-F119 HydrophobicContact CE3-CB 4.47Å; W114-F119 WeakPolarHBondContact CZ3-O 3.32Å; W114-R121 HydrophobicContact CH2-CB 4.13Å; W114-R121 HydrophobicContact CZ3-CB 4.13Å
115	K	98.6	Very high	98.4	Very high	159 Å²	159	61.2 Å²	61.2	69%	0.691	31%	0.307	S	S	*	.	H	α-helix	trans	-59.9	-19.6	178.7	-77.4	169.1	-173.1	170.1	0	114.1	A111 L113 G117	A111-K115 WeakPolarHBondContact O-CB 3.34Å; A111-K115 WeakPolarHBondContact O-CD 3.32Å; A111-K115 WeakPolarHBondContact O-CG 3.32Å; A111-K115 PolarHBondContact O-N 2.78Å; L113-K115 PolarHBondContact O-N 3.46Å; K115-G117 PolarHBondContact O-N 2.87Å
116	T	98.5	Very high	98.3	Very high	52 Å²	52	62.3 Å²	62.3	32%	0.319	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-21.5	175.6	68.8	0	0	0	0	112.9	D112 L113 W114 L118 L172	D112-T116 WeakPolarHBondContact O-CG2 3.32Å; L113-T116 WeakPolarHBondContact O-CB 3.44Å; L113-T116 WeakPolarHBondContact O-CG2 3.38Å; L113-T116 PolarHBondContact O-N 2.86Å; L113-T116 PolarHBondContact O-OG1 3.49Å; W114-T116 PolarHBondContact O-N 3.43Å; W114-T116 VanDerWaalsContact O-N 3.07Å; T116-L118 PolarHBondContact O-N 2.96Å; T116-L118 WeakPolarHBondContact OG1-CB 3.4Å; T116-L118 PolarHBondContact OG1-N 2.95Å; T116-L118 VanDerWaalsContact OG1-N 3.15Å; T116-L172 HydrophobicContact CG2-CD1 3.72Å; T116-L172 HydrophobicContact CG2-CD2 4.13Å
117	G	98.4	Very high	98.3	Very high	53 Å²	53	61.1 Å²	61.1	55%	0.546	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	6.5	-172.2	0	0	0	0	0	114.1	W114 K115	W114-G117 PolarHBondContact O-N 3.23Å; K115-G117 PolarHBondContact O-N 2.87Å
118	L	98.4	Very high	98.3	Very high	32 Å²	32	59.2 Å²	59.2	17%	0.168	30%	0.299	C	S	.	.			trans	-88.8	-16.9	-178.4	-64.2	175.6	0	0	0	113.2	T116 E168 Y169 L172	T116-L118 PolarHBondContact O-N 2.96Å; T116-L118 WeakPolarHBondContact OG1-CB 3.4Å; T116-L118 PolarHBondContact OG1-N 2.95Å; T116-L118 VanDerWaalsContact OG1-N 3.15Å; L118-E168 HydrophobicContact CD1-CG 4.06Å; L118-Y169 HydrophobicContact CB-CE1 3.98Å; L118-Y169 PolarHBondContact O-OH 3.24Å; L118-L172 HydrophobicContact CD1-CD2 4.09Å
119	F	98.8	Very high	98.3	Very high	10 Å²	10	55.5 Å²	55.5	4%	0.044	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	145.7	-175	-63.6	-97.2	0	0	0	112.3	C88 L90 L113 W114 V156 Y169 L172	C88-F119 HydrophobicContact CB-CD1 3.58Å; C88-F119 HydrophobicContact CB-CE1 3.55Å; C88-F119 VanDerWaalsContact O-CA 3.3Å; C88-F119 WeakPolarHBondContact O-CA 3.48Å; L90-F119 HydrophobicContact CD1-CB 4Å; L90-F119 HydrophobicContact CD1-CD1 4.29Å; L90-F119 HydrophobicContact CD1-CG 4.02Å; L90-F119 HydrophobicContact CD2-CD1 3.71Å; L90-F119 HydrophobicContact CD2-CE1 4.05Å; L90-F119 HydrophobicContact CD2-CG 4.29Å; L90-F119 HydrophobicContact CG-CB 3.89Å; L90-F119 HydrophobicContact CG-CD1 3.76Å; L90-F119 HydrophobicContact CG-CG 3.92Å; L113-F119 HydrophobicContact CB-CD2 4.1Å; L113-F119 HydrophobicContact CB-CE2 3.82Å; L113-F119 HydrophobicContact CB-CZ 4.25Å; L113-F119 HydrophobicContact CD1-CZ 4.4Å; L113-F119 HydrophobicContact CD2-CE2 3.96Å; L113-F119 HydrophobicContact CD2-CZ 3.95Å; L113-F119 HydrophobicContact CG-CE2 4.37Å; L113-F119 HydrophobicContact CG-CZ 4.43Å; L113-F119 VanDerWaalsContact O-CD2 3.25Å; L113-F119 WeakPolarHBondContact O-CD2 3.5Å; W114-F119 HydrophobicContact CE3-CB 4.47Å; W114-F119 WeakPolarHBondContact CZ3-O 3.32Å; F119-V156 HydrophobicContact CE1-CG1 3.9Å; F119-Y169 HydrophobicContact CD1-CE1 4.34Å; F119-Y169 HydrophobicContact CE1-CD1 4.3Å; F119-Y169 AromaticContact CE1-CE1 3.87Å; F119-Y169 HydrophobicContact CE1-CE1 3.87Å; F119-Y169 HydrophobicContact CE2-CE1 4.08Å; F119-Y169 AromaticContact CZ-CD1 3.94Å; F119-Y169 HydrophobicContact CZ-CD1 3.94Å; F119-Y169 AromaticContact CZ-CE1 3.73Å; F119-Y169 HydrophobicContact CZ-CE1 3.73Å; F119-L172 HydrophobicContact CE2-CD2 3.56Å; F119-L172 HydrophobicContact CZ-CD2 3.86Å
120	E	98.4	Very high	98.3	Very high	78 Å²	78	55.6 Å²	55.6	36%	0.364	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	163.9	164.9	-66	177.3	-146.4	0	0	110.1	L85 C88 A89 L90	L85-E120 HydrophobicContact CD1-CB 4.46Å; L85-E120 WeakPolarHBondContact CD1-OE2 3.3Å; C88-E120 PolarHBondContact O-N 3.38Å; A89-E120 CarbonylContact C-O 3.56Å; A89-E120 WeakPolarHBondContact CA-O 3.28Å; A89-E120 HydrophobicContact CB-CB 4.17Å; L90-E120 PolarHBondContact N-O 3.4Å
121	R	97.4	Very high	98.3	Very high	123 Å²	123	56 Å²	56	46%	0.464	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.2	171.2	-158.4	103.6	-162.9	-148	4.4	108.3	S91 W114	S91-R121 VanDerWaalsContact O-CZ 3.31Å; S91-R121 PolarHBondContact O-NE 3.48Å; S91-R121 PolarHBondContact O-NH2 3.25Å; W114-R121 HydrophobicContact CH2-CB 4.13Å; W114-R121 HydrophobicContact CZ3-CB 4.13Å
122	M	96.7	Very high	98.3	Very high	12 Å²	12	54 Å²	54	6%	0.059	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-68.7	150.9	170.7	-60	-172.9	-73.1	0	0	110.1	A89 L90 P92 T126 D127 L157	A89-M122 HydrophobicContact CB-CG 3.43Å; A89-M122 VanDerWaalsContact CB-CG 3.43Å; A89-M122 HydrophobicContact CB-SD 4.31Å; L90-M122 PolarHBondContact O-N 2.9Å; P92-M122 WeakPolarHBondContact CD-O 3.32Å; P92-M122 WeakPolarHBondContact CG-O 3.45Å; M122-T126 HydrophobicContact CB-CG2 4.46Å; M122-D127 HydrophobicContact CE-CB 4.33Å; M122-L157 HydrophobicContact CE-CB 4.23Å; M122-L157 HydrophobicContact CG-CD2 4.28Å; M122-L157 HydrophobicContact SD-CB 3.47Å; M122-L157 WeakPolarHBondContact SD-CB 3.46Å; M122-L157 HydrophobicContact SD-CD2 3.41Å; M122-L157 WeakPolarHBondContact SD-CD2 3.5Å; M122-L157 HydrophobicContact SD-CG 4.02Å
123	S	98	Very high	98.3	Very high	56 Å²	56	51.4 Å²	51.4	39%	0.392	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-73.8	156.1	158.8	78	0	0	0	0	109.3	Q125 T126 D127	S123-Q125 PolarHBondContact O-N 2.9Å; S123-T126 PolarHBondContact O-N 2.88Å; S123-T126 WeakPolarHBondContact OG-CB 3.42Å; S123-T126 PolarHBondContact OG-N 3.17Å; S123-T126 PolarHBondContact OG-OG1 2.86Å; S123-D127 PolarHBondContact O-N 3.43Å
124	L	98.1	Very high	98.3	Very high	61 Å²	61	51.4 Å²	51.4	32%	0.319	26%	0.259	S	S	.	.	H	α-helix	trans	-61.2	-35.4	176.3	-174.9	62.8	0	0	0	111.3	R8 P92 D127 E128	R8-L124 HydrophobicContact CB-CD1 4.36Å; P92-L124 HydrophobicContact CG-CB 4.26Å; L124-D127 WeakPolarHBondContact O-CB 3.34Å; L124-D127 PolarHBondContact O-N 3.3Å; L124-E128 HydrophobicContact CD1-CG 4.36Å; L124-E128 HydrophobicContact CG-CG 4.47Å; L124-E128 WeakPolarHBondContact O-CG 3.36Å; L124-E128 PolarHBondContact O-N 3.48Å
125	Q	98.1	Very high	98.4	Very high	136 Å²	136	45.6 Å²	45.6	64%	0.636	24%	0.237	S	C	*	.	H	α-helix	trans	-60.8	-49.6	174	-178.7	-179.2	18.8	0	0	111.9	S123 D127 E128 D129	S123-Q125 PolarHBondContact O-N 2.9Å; Q125-D127 PolarHBondContact O-N 3.08Å; Q125-E128 PolarHBondContact O-N 3Å; Q125-D129 WeakPolarHBondContact O-CB 3.37Å; Q125-D129 PolarHBondContact O-N 3.17Å
126	T	98.2	Very high	98.4	Very high	30 Å²	30	38.1 Å²	38.1	18%	0.184	20%	0.204	C	C	.	.	H	α-helix	trans	-57.6	-39	176.4	-56.9	0	0	0	0	111.8	V83 M122 S123 E130 L157	V83-T126 HydrophobicContact CB-CG2 4.36Å; V83-T126 HydrophobicContact CG1-CG2 3.75Å; V83-T126 HydrophobicContact CG2-CG2 3.68Å; M122-T126 HydrophobicContact CB-CG2 4.46Å; S123-T126 PolarHBondContact O-N 2.88Å; S123-T126 WeakPolarHBondContact OG-CB 3.42Å; S123-T126 PolarHBondContact OG-N 3.17Å; S123-T126 PolarHBondContact OG-OG1 2.86Å; T126-E130 PolarHBondContact O-N 3.17Å; T126-L157 HydrophobicContact CG2-CD2 4.38Å
127	D	98.4	Very high	98.4	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.011	19%	0.189	C	C	.	.	H	α-helix	trans	-66.4	-46.3	179.5	-158.3	-15.8	0	0	0	111.7	R8 S91 Y96 M122 S123 L124 Q125	R8-D127 WeakPolarHBondContact CD-OD1 3.39Å; R8-D127 VanDerWaalsContact CZ-O 3.23Å; R8-D127 PolarHBondContact NE-O 3Å; R8-D127 IonicContact NE-OD1 3.88Å; R8-D127 PolarHBondContact NE-OD1 2.84Å; R8-D127 PolarHBondContact NH2-O 2.92Å; S91-D127 WeakPolarHBondContact CB-OD2 3.49Å; S91-D127 PolarHBondContact OG-OD2 2.88Å; Y96-D127 VanDerWaalsContact CZ-OD1 3.3Å; Y96-D127 PolarHBondContact OH-OD1 3.41Å; Y96-D127 PolarHBondContact OH-OD2 3.21Å; M122-D127 HydrophobicContact CE-CB 4.33Å; S123-D127 PolarHBondContact O-N 3.43Å; L124-D127 WeakPolarHBondContact O-CB 3.34Å; L124-D127 PolarHBondContact O-N 3.3Å; Q125-D127 PolarHBondContact O-N 3.08Å
128	E	98.6	Very high	98.4	Very high	48 Å²	48	33.1 Å²	33.1	22%	0.224	16%	0.163	C	C	.	.	H	α-helix	trans	-74.2	-27.7	178.7	-69.5	-178.4	158	0	0	113.2	R8 E9 S11 H12 L124 Q125 E130	R8-E128 HydrophobicContact CG-CG 3.67Å; E9-E128 WeakPolarHBondContact CB-OE1 3.47Å; E9-E128 PolarHBondContact N-OE1 2.82Å; S11-E128 WeakPolarHBondContact CB-O 3.32Å; S11-E128 PolarHBondContact OG-O 2.91Å; H12-E128 PolarHBondContact CE1-O 2.87Å; H12-E128 VanDerWaalsContact CE1-O 3.27Å; L124-E128 HydrophobicContact CD1-CG 4.36Å; L124-E128 HydrophobicContact CG-CG 4.47Å; L124-E128 WeakPolarHBondContact O-CG 3.36Å; L124-E128 PolarHBondContact O-N 3.48Å; Q125-E128 PolarHBondContact O-N 3Å; E128-E130 VanDerWaalsContact C-N 3.34Å
129	D	98.3	Very high	98.5	Very high	79 Å²	79	31.7 Å²	31.7	42%	0.422	16%	0.155	S	C	.	.	H	α-helix	trans	-72.4	-27.2	175.3	-74.7	-11.9	0	0	0	112.1	H12 H82 Q125	H12-D129 PolarHBondContact CE1-O 3.25Å; H82-D129 PolarHBondContact CD2-O 3.03Å; H82-D129 PolarHBondContact NE2-O 3.16Å; Q125-D129 WeakPolarHBondContact O-CB 3.37Å; Q125-D129 PolarHBondContact O-N 3.17Å
130	E	98.6	Very high	98.5	Very high	5 Å²	5	31.3 Å²	31.3	2%	0.023	15%	0.154	C	C	.	.			trans	-84.4	135.5	-178.4	-177.8	57.9	-110.8	0	0	112.9	R8 S80 H81 H82 T126 E128 S132 L157	R8-E130 PolarHBondContact NH2-O 3.37Å; S80-E130 WeakPolarHBondContact CA-OE2 3.45Å; H81-E130 IonicContact CE1-OE1 3.49Å; H81-E130 IonicContact CG-OE1 3.69Å; H81-E130 PolarHBondContact N-OE2 2.9Å; H81-E130 IonicContact ND1-OE1 2.93Å; H81-E130 PolarHBondContact ND1-OE1 2.95Å; H81-E130 IonicContact ND1-OE2 2.79Å; H82-E130 IonicContact CD2-OE2 2.87Å; T126-E130 PolarHBondContact O-N 3.17Å; E128-E130 VanDerWaalsContact C-N 3.34Å; E130-S132 WeakPolarHBondContact OE1-CB 3.29Å; E130-S132 PolarHBondContact OE1-N 3.29Å; E130-S132 PolarHBondContact OE1-OG 2.72Å; E130-L157 HydrophobicContact CG-CD1 3.73Å
131	H	98.6	Very high	98.5	Very high	18 Å²	18	27.6 Å²	27.6	8%	0.083	14%	0.137	C	C	.	.			trans	-107.9	-19.7	-178	63.2	-77.6	0	0	0	113.4	W16 H81 H82 I133 E134 M135	W16-H131 AromaticContact CH2-CD2 3.62Å; W16-H131 AromaticContact CH2-NE2 3.56Å; W16-H131 AromaticContact CZ3-CD2 3.56Å; W16-H131 AromaticContact CZ3-NE2 3.84Å; H81-H131 AromaticContact CE1-CE1 3.82Å; H81-H131 AromaticContact CE1-NE2 3.84Å; H81-H131 AromaticContact CG-CE1 3.88Å; H81-H131 AromaticContact ND1-CE1 3.4Å; H81-H131 PolarHBondContact ND1-CE1 2.97Å; H81-H131 AromaticContact ND1-NE2 3.87Å; H82-H131 AromaticContact NE2-ND1 4Å; H131-I133 PolarHBondContact O-N 2.89Å; H131-I133 VanDerWaalsContact O-N 3.15Å; H131-E134 PolarHBondContact O-N 3.49Å; H131-M135 HydrophobicContact CB-CG 4.39Å; H131-M135 WeakPolarHBondContact O-CG 3.43Å; H131-M135 PolarHBondContact O-N 3.26Å
132	S	98.8	Very high	98.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-29.1	-171.7	75.2	0	0	0	0	113.7	G78 P79 E130 H136 S187	G78-S132 WeakPolarHBondContact CA-OG 3.4Å; P79-S132 WeakPolarHBondContact O-CB 3.29Å; P79-S132 PolarHBondContact O-OG 3.12Å; E130-S132 WeakPolarHBondContact OE1-CB 3.29Å; E130-S132 PolarHBondContact OE1-N 3.29Å; E130-S132 PolarHBondContact OE1-OG 2.72Å; S132-H136 PolarHBondContact O-CD2 3.43Å; S132-S187 WeakPolarHBondContact O-CB 3.43Å; S132-S187 PolarHBondContact O-OG 3.49Å
133	I	98.9	Very high	98.7	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.015	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-44.2	172	-59.3	176.2	0	0	0	110.3	I76 Y96 H131 M135 H136 P155 L157	I76-I133 HydrophobicContact CB-CG2 4.14Å; I76-I133 HydrophobicContact CG2-CB 4.35Å; I76-I133 HydrophobicContact CG2-CG2 3.77Å; Y96-I133 HydrophobicContact CE2-CG2 4.1Å; H131-I133 PolarHBondContact O-N 2.89Å; H131-I133 VanDerWaalsContact O-N 3.15Å; I133-M135 PolarHBondContact O-N 3.07Å; I133-M135 VanDerWaalsContact O-N 3.17Å; I133-H136 PolarHBondContact O-N 3.5Å; I133-H136 VanDerWaalsContact O-N 3.07Å; I133-P155 HydrophobicContact CD1-CB 4.37Å; I133-P155 HydrophobicContact CG2-CB 4.04Å; I133-L157 HydrophobicContact CD1-CB 4.22Å; I133-L157 HydrophobicContact CD1-CD1 4.33Å
134	E	98.9	Very high	98.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-55.8	-36.6	-176.2	-176.6	167.9	160	0	0	112.3	R8 A10 S11 H12 Y17 H131 H136 L137 P138	R8-E134 IonicContact CZ-OE2 3.48Å; R8-E134 VanDerWaalsContact CZ-OE2 3.3Å; R8-E134 IonicContact NH1-OE2 2.68Å; R8-E134 PolarHBondContact NH1-OE2 3.33Å; R8-E134 IonicContact NH2-OE2 2.73Å; R8-E134 PolarHBondContact NH2-OE2 3.39Å; A10-E134 VanDerWaalsContact C-OE1 3.23Å; S11-E134 PolarHBondContact N-OE1 3.06Å; S11-E134 PolarHBondContact OG-OE2 3.21Å; H12-E134 WeakPolarHBondContact CA-OE1 3.24Å; H12-E134 WeakPolarHBondContact CB-OE1 3.49Å; H12-E134 IonicContact CE1-OE2 2.79Å; H12-E134 IonicContact CG-OE2 2.65Å; H12-E134 PolarHBondContact N-OE1 3.29Å; H12-E134 IonicContact ND1-OE1 2.69Å; H12-E134 IonicContact ND1-OE2 3.7Å; H12-E134 PolarHBondContact ND1-OE2 3.24Å; Y17-E134 HydrophobicContact CE1-CG 4.22Å; Y17-E134 PolarHBondContact OH-OE1 2.86Å; H131-E134 PolarHBondContact O-N 3.49Å; E134-H136 PolarHBondContact O-N 2.94Å; E134-L137 HydrophobicContact CB-CD1 4.29Å; E134-L137 HydrophobicContact CG-CD1 4.05Å; E134-L137 WeakPolarHBondContact O-CB 3.42Å; E134-L137 WeakPolarHBondContact O-CG 3.3Å; E134-L137 PolarHBondContact O-N 3.38Å; E134-P138 VanDerWaalsContact O-CD 3.26Å; E134-P138 WeakPolarHBondContact O-CD 3.27Å
135	M	98.9	Very high	98.7	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-66.5	-13.7	-176.3	-65.3	-86.4	48.2	0	0	114.4	W16 Y17 H49 Y52 H131 I133	W16-M135 HydrophobicContact CB-CE 4.29Å; W16-M135 HydrophobicContact CB-SD 3.73Å; W16-M135 HydrophobicContact CD2-SD 4.33Å; W16-M135 HydrophobicContact CE3-SD 3.82Å; W16-M135 HydrophobicContact CG-SD 4.34Å; Y17-M135 HydrophobicContact CD1-CE 3.13Å; Y17-M135 HydrophobicContact CD1-SD 4.31Å; Y17-M135 HydrophobicContact CE1-CE 3.64Å; Y17-M135 HydrophobicContact CG-CE 3.92Å; H49-M135 HydrophobicContact CB-CB 3.88Å; H49-M135 HydrophobicContact CB-CG 4.3Å; H49-M135 WeakPolarHBondContact O-CG 3.31Å; Y52-M135 HydrophobicContact CD1-CE 3.75Å; Y52-M135 HydrophobicContact CE1-CE 3.39Å; Y52-M135 WeakPolarHBondContact CE1-O 3.25Å; Y52-M135 HydrophobicContact CE1-SD 4.45Å; Y52-M135 PolarHBondContact OH-O 2.66Å; H131-M135 HydrophobicContact CB-CG 4.39Å; H131-M135 WeakPolarHBondContact O-CG 3.43Å; H131-M135 PolarHBondContact O-N 3.26Å; I133-M135 PolarHBondContact O-N 3.07Å; I133-M135 VanDerWaalsContact O-N 3.17Å
136	H	98.9	Very high	98.7	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-94	-13.4	174.1	-66.7	-65.3	0	0	0	113.6	A47 P48 Y63 I76 S132 I133 E134 T140 I185 S187	A47-H136 PolarHBondContact O-CE1 2.87Å; P48-H136 PolarHBondContact O-CE1 2.98Å; Y63-H136 AromaticContact CE2-ND1 3.96Å; Y63-H136 AromaticContact CZ-ND1 3.83Å; Y63-H136 VanDerWaalsContact OH-CA 3.27Å; Y63-H136 WeakPolarHBondContact OH-CA 3.31Å; Y63-H136 WeakPolarHBondContact OH-CB 3.42Å; Y63-H136 PolarHBondContact OH-ND1 3.26Å; Y63-H136 PolarHBondContact OH-O 3.21Å; I76-H136 HydrophobicContact CD1-CB 4.33Å; I76-H136 HydrophobicContact CG2-CB 3.89Å; S132-H136 PolarHBondContact O-CD2 3.43Å; I133-H136 PolarHBondContact O-N 3.5Å; I133-H136 VanDerWaalsContact O-N 3.07Å; E134-H136 PolarHBondContact O-N 2.94Å; H136-T140 VanDerWaalsContact O-CB 3.25Å; H136-T140 WeakPolarHBondContact O-CB 3.27Å; H136-T140 PolarHBondContact O-N 2.63Å; H136-T140 PolarHBondContact O-OG1 2.93Å; H136-I185 HydrophobicContact CB-CG2 4.1Å; H136-I185 WeakPolarHBondContact ND1-CG2 3.45Å; H136-S187 WeakPolarHBondContact NE2-CA 3.36Å; H136-S187 WeakPolarHBondContact NE2-CB 3.4Å; H136-S187 PolarHBondContact NE2-OG 3.07Å
137	L	98.9	Very high	98.8	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-69.2	-49.4	-174.2	-48	168	0	0	0	112.4	I76 Y96 T98 L103 E134 Y139 T140 A141 I153	I76-L137 HydrophobicContact CD1-CD2 3.81Å; Y96-L137 HydrophobicContact CD2-CD1 3.6Å; Y96-L137 HydrophobicContact CD2-CD2 3.75Å; Y96-L137 HydrophobicContact CD2-CG 4.28Å; Y96-L137 HydrophobicContact CG-CD1 4.34Å; T98-L137 HydrophobicContact CG2-CB 3.64Å; L103-L137 HydrophobicContact CD1-CB 4.05Å; L103-L137 HydrophobicContact CD1-CD2 4.13Å; E134-L137 HydrophobicContact CB-CD1 4.29Å; E134-L137 HydrophobicContact CG-CD1 4.05Å; E134-L137 WeakPolarHBondContact O-CB 3.42Å; E134-L137 WeakPolarHBondContact O-CG 3.3Å; E134-L137 PolarHBondContact O-N 3.38Å; L137-Y139 VanDerWaalsContact C-N 3.35Å; L137-Y139 PolarHBondContact O-N 2.89Å; L137-T140 PolarHBondContact O-N 3.35Å; L137-A141 WeakPolarHBondContact O-CB 3.23Å; L137-A141 PolarHBondContact O-N 3.41Å; L137-I153 HydrophobicContact CD2-CD1 3.99Å
138	P	98.9	Very high	98.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.4	-40.8	179	-21	32.5	0	0	0	112.8	Y17 L24 L28 Y52 E134 A141 K142	Y17-P138 HydrophobicContact CD2-CG 4.12Å; Y17-P138 HydrophobicContact CE2-CG 3.87Å; L24-P138 HydrophobicContact CD2-CB 3.72Å; L24-P138 HydrophobicContact CD2-CG 4.15Å; L24-P138 HydrophobicContact CG-CB 4.43Å; L28-P138 HydrophobicContact CD1-CB 4.1Å; Y52-P138 HydrophobicContact CE2-CB 4.09Å; Y52-P138 HydrophobicContact CE2-CG 4.32Å; Y52-P138 WeakPolarHBondContact OH-CD 3.19Å; E134-P138 VanDerWaalsContact O-CD 3.26Å; E134-P138 WeakPolarHBondContact O-CD 3.27Å; P138-A141 PolarHBondContact O-N 2.91Å; P138-K142 WeakPolarHBondContact O-CB 3.36Å; P138-K142 PolarHBondContact O-N 3.39Å
139	Y	98.9	Very high	98.7	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-39.9	176.5	-112.9	-63.5	0	0	0	112.6	L28 L32 Y52 G56 A59 A60 Y63 L137 K142 A143	L28-Y139 HydrophobicContact CD2-CD1 4Å; L28-Y139 HydrophobicContact CD2-CD2 3.6Å; L28-Y139 HydrophobicContact CD2-CE1 3.82Å; L28-Y139 HydrophobicContact CD2-CE2 3.38Å; L28-Y139 HydrophobicContact CD2-CG 3.87Å; L28-Y139 VanDerWaalsContact CD2-CZ 3.47Å; L32-Y139 HydrophobicContact CD1-CE1 4.37Å; L32-Y139 HydrophobicContact CD2-CE1 4.06Å; L32-Y139 HydrophobicContact CG-CE1 4.06Å; Y52-Y139 HydrophobicContact CE1-CD2 4.13Å; Y52-Y139 HydrophobicContact CE2-CD2 4.32Å; Y52-Y139 AromaticContact CZ-CD2 3.79Å; Y52-Y139 PolarHBondContact OH-N 2.84Å; G56-Y139 PolarHBondContact O-OH 3.25Å; A59-Y139 HydrophobicContact CB-CD2 4.12Å; A59-Y139 HydrophobicContact CB-CE2 3.71Å; A60-Y139 HydrophobicContact CB-CE1 4.28Å; A60-Y139 WeakPolarHBondContact CB-OH 3.34Å; A60-Y139 PolarHBondContact N-OH 3.15Å; Y63-Y139 HydrophobicContact CD1-CD1 4.15Å; Y63-Y139 HydrophobicContact CD1-CG 4.42Å; Y63-Y139 AromaticContact CD2-CD1 3.42Å; Y63-Y139 HydrophobicContact CD2-CD1 3.42Å; Y63-Y139 VanDerWaalsContact CD2-CD1 3.42Å; Y63-Y139 HydrophobicContact CD2-CD2 4.18Å; Y63-Y139 HydrophobicContact CD2-CE1 4.09Å; Y63-Y139 AromaticContact CD2-CG 3.5Å; Y63-Y139 HydrophobicContact CD2-CG 3.5Å; Y63-Y139 VanDerWaalsContact CE2-CB 3.43Å; Y63-Y139 HydrophobicContact CE2-CD1 4.05Å; Y63-Y139 HydrophobicContact CE2-CD2 4.18Å; Y63-Y139 AromaticContact CE2-CG 3.63Å; Y63-Y139 HydrophobicContact CE2-CG 3.63Å; Y63-Y139 AromaticContact CG-CD1 3.47Å; Y63-Y139 HydrophobicContact CG-CD1 3.47Å; Y63-Y139 VanDerWaalsContact CG-CD1 3.47Å; Y63-Y139 HydrophobicContact CG-CE1 4.24Å; Y63-Y139 AromaticContact CG-CG 3.92Å; Y63-Y139 HydrophobicContact CG-CG 3.92Å; Y63-Y139 VanDerWaalsContact CZ-CB 3.41Å; L137-Y139 VanDerWaalsContact C-N 3.35Å; L137-Y139 PolarHBondContact O-N 2.89Å; Y139-K142 PolarHBondContact O-N 3.38Å; Y139-A143 WeakPolarHBondContact O-CB 3.33Å; Y139-A143 PolarHBondContact O-N 3.29Å
140	T	98.9	Very high	98.8	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.018	15%	0.151	C	C	.	.	H	α-helix	trans	-65	-47.5	174.8	-57.2	0	0	0	0	110.5	V74 H136 L137 K142 A143 M144 F151 I185	V74-T140 HydrophobicContact CB-CG2 4.24Å; V74-T140 HydrophobicContact CG1-CG2 3.94Å; V74-T140 HydrophobicContact CG2-CG2 4.05Å; H136-T140 VanDerWaalsContact O-CB 3.25Å; H136-T140 WeakPolarHBondContact O-CB 3.27Å; H136-T140 PolarHBondContact O-N 2.63Å; H136-T140 PolarHBondContact O-OG1 2.93Å; L137-T140 PolarHBondContact O-N 3.35Å; T140-K142 VanDerWaalsContact C-N 3.26Å; T140-K142 PolarHBondContact O-N 3.49Å; T140-A143 PolarHBondContact O-N 2.97Å; T140-M144 HydrophobicContact CG2-CG 4.29Å; T140-M144 WeakPolarHBondContact O-CB 3.36Å; T140-M144 WeakPolarHBondContact O-CG 3.29Å; T140-M144 PolarHBondContact O-N 2.72Å; T140-F151 HydrophobicContact CG2-CE2 3.89Å; T140-F151 HydrophobicContact CG2-CZ 4.43Å; T140-I185 VanDerWaalsContact OG1-CD1 3.29Å; T140-I185 WeakPolarHBondContact OG1-CD1 3.32Å
141	A	98.9	Very high	98.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-56.7	-42.1	175.7	0	0	0	0	0	111.2	L100 Y101 L103 L137 P138 E145	L100-A141 HydrophobicContact CB-CB 4.27Å; L100-A141 HydrophobicContact CD1-CB 4.14Å; Y101-A141 HydrophobicContact CD1-CB 4.28Å; Y101-A141 HydrophobicContact CE1-CB 3.76Å; Y101-A141 WeakPolarHBondContact CE1-O 3.23Å; Y101-A141 HydrophobicContact CE2-CB 4.19Å; Y101-A141 VanDerWaalsContact CZ-O 3.24Å; Y101-A141 VanDerWaalsContact OH-CA 3.29Å; Y101-A141 WeakPolarHBondContact OH-CA 3.35Å; Y101-A141 PolarHBondContact OH-O 2.94Å; L103-A141 HydrophobicContact CD2-CB 4.15Å; L137-A141 WeakPolarHBondContact O-CB 3.23Å; L137-A141 PolarHBondContact O-N 3.41Å; P138-A141 PolarHBondContact O-N 2.91Å; A141-E145 PolarHBondContact O-N 2.96Å
142	K	98.9	Very high	98.8	Very high	7 Å²	7	30 Å²	30	3%	0.03	16%	0.157	C	C	.	.	H	α-helix	trans	-66.6	-49.4	176.2	-179.8	59	179.6	167	0	112.7	N25 L28 E29 L32 L100 P138 Y139 T140 M144 E145	N25-K142 VanDerWaalsContact OD1-CD 3.31Å; N25-K142 WeakPolarHBondContact OD1-CD 3.47Å; N25-K142 PolarHBondContact OD1-NZ 2.91Å; N25-K142 VanDerWaalsContact OD1-NZ 3.12Å; L28-K142 HydrophobicContact CB-CB 4.22Å; L28-K142 HydrophobicContact CB-CG 3.82Å; L28-K142 HydrophobicContact CD1-CB 3.84Å; L28-K142 HydrophobicContact CD1-CG 4.36Å; E29-K142 WeakPolarHBondContact OE2-CE 3.33Å; E29-K142 IonicContact OE2-NZ 3.88Å; E29-K142 PolarHBondContact OE2-NZ 2.9Å; L32-K142 HydrophobicContact CD1-CG 3.53Å; L100-K142 HydrophobicContact CD1-CB 4Å; P138-K142 WeakPolarHBondContact O-CB 3.36Å; P138-K142 PolarHBondContact O-N 3.39Å; Y139-K142 PolarHBondContact O-N 3.38Å; T140-K142 VanDerWaalsContact C-N 3.26Å; T140-K142 PolarHBondContact O-N 3.49Å; K142-M144 PolarHBondContact O-N 2.87Å; K142-E145 WeakPolarHBondContact CD-OE2 3.46Å; K142-E145 IonicContact NZ-OE1 3.85Å; K142-E145 PolarHBondContact NZ-OE1 2.99Å; K142-E145 IonicContact NZ-OE2 3.96Å; K142-E145 PolarHBondContact NZ-OE2 2.78Å; K142-E145 WeakPolarHBondContact O-CB 3.08Å; K142-E145 WeakPolarHBondContact O-CG 3.44Å; K142-E145 PolarHBondContact O-N 3.16Å
143	A	98.8	Very high	98.8	Very high	19 Å²	19	30 Å²	30	16%	0.157	16%	0.157	C	C	.	.	H	α-helix	trans	-62.8	-30.2	-177.5	0	0	0	0	0	112.6	Y63 Y139 T140	Y63-A143 HydrophobicContact CD1-CB 4.1Å; Y139-A143 WeakPolarHBondContact O-CB 3.33Å; Y139-A143 PolarHBondContact O-N 3.29Å; T140-A143 PolarHBondContact O-N 2.97Å
144	M	98.9	Very high	98.8	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	6.9	-178.4	-60.7	-56.4	-61.2	0	0	114	V66 P68 T71 T140 K142 S146 H147 K148 F151	V66-M144 HydrophobicContact CG1-SD 3.92Å; P68-M144 HydrophobicContact CB-CE 3.99Å; P68-M144 HydrophobicContact CB-SD 3.91Å; T71-M144 HydrophobicContact CG2-CE 4.33Å; T71-M144 HydrophobicContact CG2-SD 4.34Å; T71-M144 VanDerWaalsContact O-CE 3.23Å; T71-M144 WeakPolarHBondContact O-CE 3.47Å; T140-M144 HydrophobicContact CG2-CG 4.29Å; T140-M144 WeakPolarHBondContact O-CB 3.36Å; T140-M144 WeakPolarHBondContact O-CG 3.29Å; T140-M144 PolarHBondContact O-N 2.72Å; K142-M144 PolarHBondContact O-N 2.87Å; M144-S146 PolarHBondContact O-N 3.48Å; M144-H147 CarbonylContact O-C 3.46Å; M144-H147 VanDerWaalsContact O-C 3.3Å; M144-H147 PolarHBondContact O-N 3.15Å; M144-K148 PolarHBondContact O-N 2.97Å; M144-K148 VanDerWaalsContact O-N 3.16Å; M144-F151 HydrophobicContact CB-CD1 3.78Å; M144-F151 HydrophobicContact CB-CE1 3.41Å; M144-F151 VanDerWaalsContact CB-CE1 3.41Å; M144-F151 HydrophobicContact CB-CE2 4.23Å; M144-F151 HydrophobicContact CB-CG 4.33Å; M144-F151 HydrophobicContact CB-CZ 3.63Å; M144-F151 HydrophobicContact CE-CB 4.13Å; M144-F151 HydrophobicContact CE-CD1 4.31Å; M144-F151 HydrophobicContact CE-CG 4.15Å; M144-F151 HydrophobicContact CG-CD1 4.29Å; M144-F151 HydrophobicContact CG-CD2 4.26Å; M144-F151 HydrophobicContact CG-CE1 4.13Å; M144-F151 HydrophobicContact CG-CE2 4.09Å; M144-F151 HydrophobicContact CG-CG 4.34Å; M144-F151 HydrophobicContact CG-CZ 4.01Å
145	E	98.7	Very high	98.8	Very high	88 Å²	88	29.9 Å²	29.9	41%	0.411	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-55.7	-32.9	-168.8	70.3	-176.5	171.4	0	0	114.8	A141 K142 H147	A141-E145 PolarHBondContact O-N 2.96Å; K142-E145 WeakPolarHBondContact CD-OE2 3.46Å; K142-E145 IonicContact NZ-OE1 3.85Å; K142-E145 PolarHBondContact NZ-OE1 2.99Å; K142-E145 IonicContact NZ-OE2 3.96Å; K142-E145 PolarHBondContact NZ-OE2 2.78Å; K142-E145 WeakPolarHBondContact O-CB 3.08Å; K142-E145 WeakPolarHBondContact O-CG 3.44Å; K142-E145 PolarHBondContact O-N 3.16Å; E145-H147 PolarHBondContact O-N 2.8Å
146	S	98.7	Very high	98.8	Very high	81 Å²	81	29.9 Å²	29.9	57%	0.566	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-71.2	-17.8	179.3	57.1	0	0	0	0	113.7	M144	M144-S146 PolarHBondContact O-N 3.48Å
147	H	98.6	Very high	98.8	Very high	43 Å²	43	29.9 Å²	29.9	20%	0.199	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-129.6	33.1	-179.2	-64.2	74.8	0	0	0	110.3	M144 E145 D149 E150	M144-H147 CarbonylContact O-C 3.46Å; M144-H147 VanDerWaalsContact O-C 3.3Å; M144-H147 PolarHBondContact O-N 3.15Å; E145-H147 PolarHBondContact O-N 2.8Å; H147-D149 PolarHBondContact O-N 2.95Å; H147-E150 HydrophobicContact CB-CB 4.3Å; H147-E150 IonicContact CD2-OE1 2.86Å; H147-E150 PolarHBondContact CD2-OE1 3.27Å; H147-E150 IonicContact CD2-OE2 3.69Å; H147-E150 IonicContact CG-OE1 2.81Å; H147-E150 PolarHBondContact O-N 3.46Å
148	K	98.3	Very high	98.8	Very high	107 Å²	107	29.9 Å²	29.9	47%	0.465	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.5	-168.7	68.9	176.7	-172.5	176.8	0	115.2	Y101 M144	Y101-K148 HydrophobicContact CD2-CB 4.36Å; Y101-K148 HydrophobicContact CE1-CB 4.05Å; Y101-K148 HydrophobicContact CE2-CB 3.75Å; M144-K148 PolarHBondContact O-N 2.97Å; M144-K148 VanDerWaalsContact O-N 3.16Å
149	D	98.1	Very high	98.8	Very high	126 Å²	126	30.1 Å²	30.1	67%	0.674	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-0	-176.7	-62.6	-56.3	0	0	0	112.8	H147	H147-D149 PolarHBondContact O-N 2.95Å
150	E	98.5	Very high	98.8	Very high	108 Å²	108	33.1 Å²	33.1	51%	0.505	18%	0.184	S	C	.	.	S	Bend	trans	-112.6	4.8	-171.6	-63.4	177.5	-116.1	0	0	113.9	R72 H147	R72-E150 WeakPolarHBondContact CD-O 3.11Å; R72-E150 IonicContact NE-OE2 3.63Å; R72-E150 IonicContact NH2-OE2 3.07Å; H147-E150 HydrophobicContact CB-CB 4.3Å; H147-E150 IonicContact CD2-OE1 2.86Å; H147-E150 PolarHBondContact CD2-OE1 3.27Å; H147-E150 IonicContact CD2-OE2 3.69Å; H147-E150 IonicContact CG-OE1 2.81Å; H147-E150 PolarHBondContact O-N 3.46Å
151	F	98.8	Very high	98.7	Very high	21 Å²	21	33.5 Å²	33.5	9%	0.092	19%	0.186	C	C	.	.			trans	-130.3	160.4	179.6	83.7	-78.2	0	0	0	113.3	R72 V74 Y101 L103 T140 M144 I153	R72-F151 CarbonylContact O-C 3.54Å; R72-F151 WeakPolarHBondContact O-CA 3.41Å; R72-F151 WeakPolarHBondContact O-CB 3.34Å; V74-F151 HydrophobicContact CG2-CD2 4.11Å; Y101-F151 AromaticContact CE2-CE1 3.97Å; Y101-F151 HydrophobicContact CE2-CE1 3.97Å; Y101-F151 HydrophobicContact CE2-CZ 4.1Å; Y101-F151 WeakPolarHBondContact OH-CE1 3.14Å; L103-F151 HydrophobicContact CD2-CE1 4.4Å; L103-F151 HydrophobicContact CD2-CE2 4.04Å; L103-F151 HydrophobicContact CD2-CZ 3.5Å; T140-F151 HydrophobicContact CG2-CE2 3.89Å; T140-F151 HydrophobicContact CG2-CZ 4.43Å; M144-F151 HydrophobicContact CB-CD1 3.78Å; M144-F151 HydrophobicContact CB-CE1 3.41Å; M144-F151 VanDerWaalsContact CB-CE1 3.41Å; M144-F151 HydrophobicContact CB-CE2 4.23Å; M144-F151 HydrophobicContact CB-CG 4.33Å; M144-F151 HydrophobicContact CB-CZ 3.63Å; M144-F151 HydrophobicContact CE-CB 4.13Å; M144-F151 HydrophobicContact CE-CD1 4.31Å; M144-F151 HydrophobicContact CE-CG 4.15Å; M144-F151 HydrophobicContact CG-CD1 4.29Å; M144-F151 HydrophobicContact CG-CD2 4.26Å; M144-F151 HydrophobicContact CG-CE1 4.13Å; M144-F151 HydrophobicContact CG-CE2 4.09Å; M144-F151 HydrophobicContact CG-CG 4.34Å; M144-F151 HydrophobicContact CG-CZ 4.01Å; F151-I153 HydrophobicContact CE2-CG2 4.06Å
152	S	98.9	Very high	98.7	Very high	19 Å²	19	36.2 Å²	36.2	13%	0.133	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	162.5	174.4	55.1	0	0	0	0	110.8	R72 R73 V74 R104 D106	R72-S152 PolarHBondContact O-N 3.17Å; R73-S152 CarbonylContact C-O 3.57Å; R73-S152 WeakPolarHBondContact CA-O 3.48Å; V74-S152 PolarHBondContact N-O 3.31Å; R104-S152 CarbonylContact O-C 3.59Å; R104-S152 WeakPolarHBondContact O-CA 3.37Å; R104-S152 WeakPolarHBondContact O-CB 3.29Å; D106-S152 WeakPolarHBondContact CB-OG 3.34Å; D106-S152 PolarHBondContact OD2-OG 3.47Å; D106-S152 VanDerWaalsContact OD2-OG 3.06Å
153	I	98.9	Very high	98.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	156.4	176	62.1	167.6	0	0	0	111.7	V74 Y96 L103 R104 I105 D106 L137 F151 P155	V74-I153 HydrophobicContact CB-CG2 4.33Å; V74-I153 CarbonylContact O-C 3.57Å; V74-I153 VanDerWaalsContact O-CA 3.25Å; V74-I153 WeakPolarHBondContact O-CA 3.34Å; Y96-I153 HydrophobicContact CD2-CD1 4.19Å; Y96-I153 HydrophobicContact CG-CD1 4.03Å; L103-I153 HydrophobicContact CB-CD1 3.74Å; L103-I153 HydrophobicContact CB-CG1 4.14Å; L103-I153 HydrophobicContact CB-CG2 4.18Å; L103-I153 HydrophobicContact CD1-CD1 4.34Å; L103-I153 HydrophobicContact CD1-CG2 4.01Å; R104-I153 WeakPolarHBondContact O-CG1 3.06Å; R104-I153 PolarHBondContact O-N 2.93Å; I105-I153 CarbonylContact C-O 3.59Å; I105-I153 VanDerWaalsContact CA-O 3.31Å; I105-I153 WeakPolarHBondContact CA-O 3.21Å; I105-I153 HydrophobicContact CG1-CG1 4.25Å; D106-I153 PolarHBondContact N-O 2.85Å; L137-I153 HydrophobicContact CD2-CD1 3.99Å; F151-I153 HydrophobicContact CE2-CG2 4.06Å; I153-P155 HydrophobicContact CD1-CG 3.84Å; I153-P155 HydrophobicContact CG1-CG 4.22Å
154	V	98.9	Very high	98.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	81.7	174.4	-171.6	0	0	0	0	108.4	V74 F75 I76 D106 V109 Y110 L113 V156	V74-V154 PolarHBondContact O-N 3.35Å; F75-V154 WeakPolarHBondContact CA-O 3.38Å; F75-V154 HydrophobicContact CB-CB 4.45Å; F75-V154 HydrophobicContact CD1-CB 3.63Å; F75-V154 HydrophobicContact CD1-CG1 3.57Å; F75-V154 HydrophobicContact CD1-CG2 4.19Å; F75-V154 HydrophobicContact CD2-CB 4.42Å; F75-V154 HydrophobicContact CD2-CG2 4.37Å; F75-V154 HydrophobicContact CE1-CB 3.89Å; F75-V154 HydrophobicContact CE1-CG1 3.6Å; F75-V154 HydrophobicContact CE1-CG2 4.05Å; F75-V154 HydrophobicContact CE2-CG2 4.21Å; F75-V154 HydrophobicContact CG-CB 3.91Å; F75-V154 HydrophobicContact CG-CG1 4.37Å; F75-V154 HydrophobicContact CG-CG2 4.35Å; F75-V154 HydrophobicContact CZ-CB 4.37Å; F75-V154 HydrophobicContact CZ-CG1 4.39Å; F75-V154 HydrophobicContact CZ-CG2 4.05Å; I76-V154 PolarHBondContact N-O 3.32Å; D106-V154 HydrophobicContact CB-CG2 3.91Å; V109-V154 HydrophobicContact CB-CG2 4.17Å; V109-V154 HydrophobicContact CG1-CG1 3.84Å; V109-V154 HydrophobicContact CG1-CG2 3.94Å; Y110-V154 HydrophobicContact CD2-CG1 3.86Å; Y110-V154 HydrophobicContact CE2-CB 4.48Å; Y110-V154 HydrophobicContact CE2-CG1 3.67Å; L113-V154 HydrophobicContact CD1-CG1 3.89Å; V154-V156 HydrophobicContact CG1-CG2 4.33Å
155	P	98.9	Very high	98.7	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	133.2	174.8	-22.1	34.2	0	0	0	110.9	Y96 I105 Y110 I133 I153	Y96-P155 HydrophobicContact CD2-CG 4.2Å; Y96-P155 HydrophobicContact CE1-CG 4.08Å; Y96-P155 HydrophobicContact CE2-CB 3.97Å; Y96-P155 HydrophobicContact CE2-CG 3.74Å; I105-P155 HydrophobicContact CD1-CG 4.06Å; I105-P155 HydrophobicContact CG1-CG 4.31Å; Y110-P155 WeakPolarHBondContact CE2-O 3.25Å; Y110-P155 WeakPolarHBondContact OH-CD 3.43Å; Y110-P155 PolarHBondContact OH-O 2.86Å; I133-P155 HydrophobicContact CD1-CB 4.37Å; I133-P155 HydrophobicContact CG2-CB 4.04Å; I153-P155 HydrophobicContact CD1-CG 3.84Å; I153-P155 HydrophobicContact CG1-CG 4.22Å
156	V	98.9	Very high	98.7	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	113.6	174.6	-178.8	0	0	0	0	108.3	I76 L77 G78 C88 L90 F119 V154 V158	I76-V156 PolarHBondContact O-N 3.02Å; L77-V156 WeakPolarHBondContact CA-O 3.06Å; L77-V156 HydrophobicContact CD1-CB 4.31Å; L77-V156 HydrophobicContact CD1-CG2 4.46Å; L77-V156 HydrophobicContact CG-CB 4.18Å; G78-V156 PolarHBondContact N-O 2.89Å; G78-V156 VanDerWaalsContact N-O 3.1Å; C88-V156 HydrophobicContact CB-CG1 3.81Å; L90-V156 HydrophobicContact CD2-CG2 4.02Å; F119-V156 HydrophobicContact CE1-CG1 3.9Å; V154-V156 HydrophobicContact CG1-CG2 4.33Å; V156-V158 HydrophobicContact CG1-CG2 4.3Å
157	L	98.9	Very high	98.7	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122.8	171.7	-173.4	65.3	0	0	0	108.8	V83 L85 C88 A89 M122 T126 E130 I133	V83-L157 HydrophobicContact CG2-CD2 4.27Å; L85-L157 HydrophobicContact CD2-CD2 4.16Å; L85-L157 HydrophobicContact CD2-CG 4.14Å; C88-L157 CarbonylContact C-O 3.53Å; C88-L157 WeakPolarHBondContact CA-O 3.29Å; A89-L157 HydrophobicContact CB-CB 4.36Å; A89-L157 PolarHBondContact N-O 2.9Å; A89-L157 PolarHBondContact O-N 2.91Å; M122-L157 HydrophobicContact CE-CB 4.23Å; M122-L157 HydrophobicContact CG-CD2 4.28Å; M122-L157 HydrophobicContact SD-CB 3.47Å; M122-L157 WeakPolarHBondContact SD-CB 3.46Å; M122-L157 HydrophobicContact SD-CD2 3.41Å; M122-L157 WeakPolarHBondContact SD-CD2 3.5Å; M122-L157 HydrophobicContact SD-CG 4.02Å; T126-L157 HydrophobicContact CG2-CD2 4.38Å; E130-L157 HydrophobicContact CG-CD1 3.73Å; I133-L157 HydrophobicContact CD1-CB 4.22Å; I133-L157 HydrophobicContact CD1-CD1 4.33Å
158	V	98.9	Very high	98.7	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.3	-177.4	-174.9	0	0	0	0	109	L77 G78 P79 S80 V156 L161 H247 P248	L77-V158 HydrophobicContact CB-CG2 4Å; L77-V158 HydrophobicContact CD2-CG2 4.48Å; L77-V158 HydrophobicContact CG-CG2 4.2Å; G78-V158 PolarHBondContact O-N 2.61Å; P79-V158 CarbonylContact C-O 3.59Å; P79-V158 WeakPolarHBondContact CA-O 3.15Å; S80-V158 PolarHBondContact N-O 3.17Å; V156-V158 HydrophobicContact CG1-CG2 4.3Å; V158-L161 HydrophobicContact CG1-CD1 3.67Å; V158-L161 HydrophobicContact CG1-CG 3.94Å; V158-H247 HydrophobicContact CG1-CB 3.91Å; V158-P248 HydrophobicContact CB-CG 3.85Å; V158-P248 HydrophobicContact CG1-CG 4.11Å; V158-P248 HydrophobicContact CG2-CG 4.03Å
159	G	98.7	Very high	98.7	Very high	5 Å²	5	38.8 Å²	38.8	5%	0.052	21%	0.214	C	C	.	.			trans	-80.3	-165	178	0	0	0	0	0	114.2	L85 R87 L161 H247	L85-G159 CarbonylContact O-C 3.58Å; L85-G159 WeakPolarHBondContact O-CA 3.21Å; R87-G159 WeakPolarHBondContact O-CA 3.48Å; R87-G159 PolarHBondContact O-N 2.79Å; G159-L161 VanDerWaalsContact C-N 3.32Å; G159-L161 PolarHBondContact O-N 2.9Å; G159-H247 PolarHBondContact O-CD2 3.37Å
160	A	98.4	Very high	98.8	Very high	65 Å²	65	32.8 Å²	32.8	54%	0.537	18%	0.182	S	C	.	.	S	Bend	trans	-75.9	82	169.4	0	0	0	0	0	110.1	L85	L85-A160 PolarHBondContact O-N 2.86Å
161	L	98.8	Very high	98.8	Very high	10 Å²	10	34.8 Å²	34.8	5%	0.052	19%	0.185	C	C	.	.			trans	-73.4	145.1	-178.2	-58.2	-174.3	0	0	0	111.6	V158 G159 K165 E166 Y169 H247 V251	V158-L161 HydrophobicContact CG1-CD1 3.67Å; V158-L161 HydrophobicContact CG1-CG 3.94Å; G159-L161 VanDerWaalsContact C-N 3.32Å; G159-L161 PolarHBondContact O-N 2.9Å; L161-K165 HydrophobicContact CB-CB 4.08Å; L161-K165 HydrophobicContact CD2-CB 4.21Å; L161-E166 HydrophobicContact CB-CG 3.75Å; L161-E166 HydrophobicContact CD1-CG 4.02Å; L161-Y169 HydrophobicContact CD1-CD2 3.83Å; L161-Y169 HydrophobicContact CD1-CE2 4.34Å; L161-Y169 HydrophobicContact CD2-CD2 4.15Å; L161-Y169 HydrophobicContact CD2-CE2 3.82Å; L161-H247 HydrophobicContact CB-CB 4.39Å; L161-H247 HydrophobicContact CG-CB 4.32Å; L161-H247 PolarHBondContact O-CE1 2.79Å; L161-H247 VanDerWaalsContact O-CE1 3.29Å; L161-H247 PolarHBondContact O-ND1 2.95Å; L161-V251 HydrophobicContact CD1-CG2 3.58Å
162	S	98.6	Very high	98.8	Very high	57 Å²	57	35.1 Å²	35.1	40%	0.399	19%	0.187	S	C	.	.			trans	-74.6	159.8	161.1	62.1	0	0	0	0	110.6	S164 K165 E166	S162-S164 PolarHBondContact O-N 2.94Å; S162-S164 PolarHBondContact OG-OG 3.18Å; S162-K165 CarbonylContact O-C 3.6Å; S162-K165 WeakPolarHBondContact O-CA 3.22Å; S162-K165 WeakPolarHBondContact O-CB 3.21Å; S162-K165 PolarHBondContact O-N 3.01Å; S162-K165 VanDerWaalsContact OG-CG 3.32Å; S162-K165 WeakPolarHBondContact OG-CG 3.31Å; S162-K165 PolarHBondContact OG-N 2.91Å; S162-E166 PolarHBondContact O-N 3.45Å
163	E	98.5	Very high	98.8	Very high	91 Å²	91	34.4 Å²	34.4	43%	0.425	18%	0.182	S	C	.	.	H	α-helix	trans	-53.2	-38.8	174.7	-67.6	172	-140.3	0	0	112.3	K165 E166 Q167 T233 K237	E163-K165 VanDerWaalsContact C-N 3.34Å; E163-K165 PolarHBondContact O-N 3.43Å; E163-E166 PolarHBondContact O-N 3.11Å; E163-Q167 WeakPolarHBondContact O-CG 3.28Å; E163-Q167 PolarHBondContact O-N 3.33Å; E163-Q167 VanDerWaalsContact O-N 3.08Å; E163-T233 HydrophobicContact CG-CG2 4Å; E163-K237 WeakPolarHBondContact OE1-CE 3.48Å; E163-K237 IonicContact OE1-NZ 3.7Å; E163-K237 PolarHBondContact OE1-NZ 3.15Å; E163-K237 IonicContact OE2-NZ 2.72Å; E163-K237 PolarHBondContact OE2-NZ 3.1Å
164	S	98.6	Very high	98.8	Very high	76 Å²	76	35 Å²	35	53%	0.531	19%	0.186	S	C	.	.	H	α-helix	trans	-65.5	-34.6	175.3	55.5	0	0	0	0	113.2	S162 E168	S162-S164 PolarHBondContact O-N 2.94Å; S162-S164 PolarHBondContact OG-OG 3.18Å; S164-E168 WeakPolarHBondContact O-CB 3.44Å; S164-E168 PolarHBondContact O-N 3.36Å
165	K	98.8	Very high	98.7	Very high	45 Å²	45	40.8 Å²	40.8	20%	0.196	21%	0.211	C	C	.	.	H	α-helix	trans	-75.3	-37.2	176.3	-73.7	-73.4	171.9	-169.5	0	111.5	L161 S162 E163 Q167 E168 Y169	L161-K165 HydrophobicContact CB-CB 4.08Å; L161-K165 HydrophobicContact CD2-CB 4.21Å; S162-K165 CarbonylContact O-C 3.6Å; S162-K165 WeakPolarHBondContact O-CA 3.22Å; S162-K165 WeakPolarHBondContact O-CB 3.21Å; S162-K165 PolarHBondContact O-N 3.01Å; S162-K165 VanDerWaalsContact OG-CG 3.32Å; S162-K165 WeakPolarHBondContact OG-CG 3.31Å; S162-K165 PolarHBondContact OG-N 2.91Å; E163-K165 VanDerWaalsContact C-N 3.34Å; E163-K165 PolarHBondContact O-N 3.43Å; K165-Q167 VanDerWaalsContact C-N 3.29Å; K165-Q167 PolarHBondContact O-N 2.65Å; K165-E168 VanDerWaalsContact CD-OE2 3.26Å; K165-E168 WeakPolarHBondContact CD-OE2 3.43Å; K165-E168 WeakPolarHBondContact CE-OE2 3.46Å; K165-E168 IonicContact NZ-OE2 2.96Å; K165-E168 PolarHBondContact NZ-OE2 3.15Å; K165-E168 PolarHBondContact O-N 2.91Å; K165-Y169 HydrophobicContact CB-CD2 4.42Å; K165-Y169 HydrophobicContact CB-CE2 4.43Å; K165-Y169 HydrophobicContact CD-CE2 4.29Å; K165-Y169 WeakPolarHBondContact O-CD2 3Å; K165-Y169 PolarHBondContact O-N 3.46Å
166	E	98.9	Very high	98.7	Very high	13 Å²	13	41.7 Å²	41.7	6%	0.061	22%	0.215	C	C	.	.	H	α-helix	trans	-58.8	-42.4	171.7	-68	177.5	177.6	0	0	111.3	L161 S162 E163 G170 H247	L161-E166 HydrophobicContact CB-CG 3.75Å; L161-E166 HydrophobicContact CD1-CG 4.02Å; S162-E166 PolarHBondContact O-N 3.45Å; E163-E166 PolarHBondContact O-N 3.11Å; E166-G170 WeakPolarHBondContact O-CA 3.28Å; E166-G170 PolarHBondContact O-N 3.35Å; E166-H247 IonicContact OE1-CE1 2.64Å; E166-H247 IonicContact OE1-CG 2.64Å; E166-H247 IonicContact OE1-ND1 3.62Å; E166-H247 PolarHBondContact OE1-ND1 3.4Å
167	Q	98.8	Very high	98.7	Very high	102 Å²	102	41.7 Å²	41.7	48%	0.477	22%	0.215	S	C	.	.	H	α-helix	trans	-63.6	-44.4	172.8	-71.6	171	41.8	0	0	112.7	E163 K165 G170 R171 N254	E163-Q167 WeakPolarHBondContact O-CG 3.28Å; E163-Q167 PolarHBondContact O-N 3.33Å; E163-Q167 VanDerWaalsContact O-N 3.08Å; K165-Q167 VanDerWaalsContact C-N 3.29Å; K165-Q167 PolarHBondContact O-N 2.65Å; Q167-G170 PolarHBondContact O-N 3.44Å; Q167-R171 WeakPolarHBondContact O-CB 3.45Å; Q167-R171 PolarHBondContact O-N 3.25Å; Q167-N254 VanDerWaalsContact CG-OD1 3.28Å; Q167-N254 WeakPolarHBondContact CG-OD1 3.37Å
168	E	98.8	Very high	98.7	Very high	73 Å²	73	43.3 Å²	43.3	34%	0.341	23%	0.229	S	C	.	.	H	α-helix	trans	-63.8	-49.1	-179.7	-174.6	178.1	-129.7	0	0	112	L118 S164 K165 R171 L172	L118-E168 HydrophobicContact CD1-CG 4.06Å; S164-E168 WeakPolarHBondContact O-CB 3.44Å; S164-E168 PolarHBondContact O-N 3.36Å; K165-E168 VanDerWaalsContact CD-OE2 3.26Å; K165-E168 WeakPolarHBondContact CD-OE2 3.43Å; K165-E168 WeakPolarHBondContact CE-OE2 3.46Å; K165-E168 IonicContact NZ-OE2 2.96Å; K165-E168 PolarHBondContact NZ-OE2 3.15Å; K165-E168 PolarHBondContact O-N 2.91Å; E168-R171 PolarHBondContact O-N 3.44Å; E168-L172 WeakPolarHBondContact O-CB 3.36Å; E168-L172 PolarHBondContact O-N 2.98Å
169	Y	98.9	Very high	98.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-68.1	-37.7	175.7	-74.3	-68.6	0	0	0	112.1	R87 C88 L118 F119 L161 K165 R171 L172 L173	R87-Y169 WeakPolarHBondContact CB-OH 3.21Å; C88-Y169 HydrophobicContact CB-CD1 4.38Å; C88-Y169 HydrophobicContact CB-CE1 3.75Å; C88-Y169 HydrophobicContact CB-CE2 4.3Å; C88-Y169 PolarHBondContact N-OH 3.4Å; L118-Y169 HydrophobicContact CB-CE1 3.98Å; L118-Y169 PolarHBondContact O-OH 3.24Å; F119-Y169 HydrophobicContact CD1-CE1 4.34Å; F119-Y169 HydrophobicContact CE1-CD1 4.3Å; F119-Y169 AromaticContact CE1-CE1 3.87Å; F119-Y169 HydrophobicContact CE1-CE1 3.87Å; F119-Y169 HydrophobicContact CE2-CE1 4.08Å; F119-Y169 AromaticContact CZ-CD1 3.94Å; F119-Y169 HydrophobicContact CZ-CD1 3.94Å; F119-Y169 AromaticContact CZ-CE1 3.73Å; F119-Y169 HydrophobicContact CZ-CE1 3.73Å; L161-Y169 HydrophobicContact CD1-CD2 3.83Å; L161-Y169 HydrophobicContact CD1-CE2 4.34Å; L161-Y169 HydrophobicContact CD2-CD2 4.15Å; L161-Y169 HydrophobicContact CD2-CE2 3.82Å; K165-Y169 HydrophobicContact CB-CD2 4.42Å; K165-Y169 HydrophobicContact CB-CE2 4.43Å; K165-Y169 HydrophobicContact CD-CE2 4.29Å; K165-Y169 WeakPolarHBondContact O-CD2 3Å; K165-Y169 PolarHBondContact O-N 3.46Å; Y169-R171 PolarHBondContact O-N 3.31Å; Y169-L172 HydrophobicContact CD1-CD2 4.37Å; Y169-L172 PolarHBondContact O-N 3.32Å; Y169-L173 WeakPolarHBondContact O-CB 3.46Å; Y169-L173 WeakPolarHBondContact O-CG 2.97Å; Y169-L173 PolarHBondContact O-N 2.97Å
170	G	98.8	Very high	98.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.1	-48.3	174.4	0	0	0	0	0	111.5	E166 Q167 L172 L173 S174 V251 A255	E166-G170 WeakPolarHBondContact O-CA 3.28Å; E166-G170 PolarHBondContact O-N 3.35Å; Q167-G170 PolarHBondContact O-N 3.44Å; G170-L172 PolarHBondContact O-N 3.49Å; G170-L173 PolarHBondContact O-N 3.48Å; G170-S174 WeakPolarHBondContact O-CB 3.34Å; G170-S174 PolarHBondContact O-N 3.42Å; G170-V251 WeakPolarHBondContact CA-O 3.44Å; G170-A255 VanDerWaalsContact O-CA 3.29Å; G170-A255 WeakPolarHBondContact O-CA 3.39Å; G170-A255 VanDerWaalsContact O-CB 3.29Å; G170-A255 WeakPolarHBondContact O-CB 3.36Å
171	R	98.8	Very high	98.6	Very high	151 Å²	151	48 Å²	48	57%	0.57	25%	0.251	S	S	*	.	H	α-helix	trans	-63.1	-40.9	174.6	-175.1	-175.5	-64	160.6	6	112.4	Q167 E168 Y169 L173 S174 E258	Q167-R171 WeakPolarHBondContact O-CB 3.45Å; Q167-R171 PolarHBondContact O-N 3.25Å; E168-R171 PolarHBondContact O-N 3.44Å; Y169-R171 PolarHBondContact O-N 3.31Å; R171-L173 VanDerWaalsContact C-N 3.35Å; R171-S174 PolarHBondContact O-OG 3.23Å; R171-E258 HydrophobicContact CG-CG 4.22Å
172	L	98.8	Very high	98.6	Very high	28 Å²	28	47.5 Å²	47.5	15%	0.147	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-44.7	178.1	173.1	66.2	0	0	0	111.7	L113 T116 L118 F119 E168 Y169 G170	L113-L172 HydrophobicContact CD2-CD2 4.21Å; T116-L172 HydrophobicContact CG2-CD1 3.72Å; T116-L172 HydrophobicContact CG2-CD2 4.13Å; L118-L172 HydrophobicContact CD1-CD2 4.09Å; F119-L172 HydrophobicContact CE2-CD2 3.56Å; F119-L172 HydrophobicContact CZ-CD2 3.86Å; E168-L172 WeakPolarHBondContact O-CB 3.36Å; E168-L172 PolarHBondContact O-N 2.98Å; Y169-L172 HydrophobicContact CD1-CD2 4.37Å; Y169-L172 PolarHBondContact O-N 3.32Å; G170-L172 PolarHBondContact O-N 3.49Å
173	L	98.8	Very high	98.6	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-84.3	-15.3	-172.9	-65.1	176.5	0	0	0	113.1	L77 L113 Y169 G170 R171 K175 Y176 L177 F184 V251	L77-L173 HydrophobicContact CD2-CD1 4.02Å; L113-L173 HydrophobicContact CD2-CD2 3.92Å; Y169-L173 WeakPolarHBondContact O-CB 3.46Å; Y169-L173 WeakPolarHBondContact O-CG 2.97Å; Y169-L173 PolarHBondContact O-N 2.97Å; G170-L173 PolarHBondContact O-N 3.48Å; R171-L173 VanDerWaalsContact C-N 3.35Å; L173-K175 VanDerWaalsContact C-N 3.28Å; L173-K175 PolarHBondContact O-N 2.73Å; L173-Y176 HydrophobicContact CD2-CD2 4.06Å; L173-Y176 WeakPolarHBondContact O-CA 3.3Å; L173-Y176 WeakPolarHBondContact O-CB 3.39Å; L173-Y176 PolarHBondContact O-N 3.31Å; L173-L177 PolarHBondContact O-N 2.68Å; L173-F184 HydrophobicContact CB-CE1 4.15Å; L173-F184 HydrophobicContact CB-CZ 4.35Å; L173-F184 HydrophobicContact CD1-CE1 4.32Å; L173-V251 HydrophobicContact CD1-CG1 3.83Å
174	S	98.6	Very high	98.7	Very high	13 Å²	13	40.9 Å²	40.9	9%	0.091	21%	0.211	C	C	.	.	H	α-helix	trans	-53.6	-41.8	179.1	71	0	0	0	0	112.8	G170 R171 Y176 L177 A178	G170-S174 WeakPolarHBondContact O-CB 3.34Å; G170-S174 PolarHBondContact O-N 3.42Å; R171-S174 PolarHBondContact O-OG 3.23Å; S174-Y176 PolarHBondContact O-N 2.92Å; S174-L177 WeakPolarHBondContact O-CB 3.41Å; S174-L177 PolarHBondContact O-N 2.96Å; S174-L177 VanDerWaalsContact O-N 3.08Å; S174-A178 PolarHBondContact O-N 3.09Å
175	K	98.1	Very high	98.7	Very high	120 Å²	120	37.2 Å²	37.2	52%	0.522	19%	0.186	S	C	.	.	H	α-helix	trans	-61.2	-31.9	177.4	70.8	-178.9	-179.6	173.5	0	113.1	L173	L173-K175 VanDerWaalsContact C-N 3.28Å; L173-K175 PolarHBondContact O-N 2.73Å
176	Y	98.7	Very high	98.7	Very high	19 Å²	19	35.1 Å²	35.1	8%	0.075	18%	0.176	C	C	.	.	H	α-helix	trans	-80.4	-35.4	175.6	-63	-73.2	0	0	0	110.5	F75 V109 D112 L113 L173 S174 A178 D179 N182	F75-Y176 HydrophobicContact CE1-CD1 4.48Å; F75-Y176 HydrophobicContact CE1-CD2 4.36Å; F75-Y176 HydrophobicContact CE1-CG 4.13Å; F75-Y176 HydrophobicContact CE2-CD1 4.46Å; F75-Y176 HydrophobicContact CE2-CG 4.42Å; F75-Y176 AromaticContact CZ-CD1 3.68Å; F75-Y176 HydrophobicContact CZ-CD1 3.68Å; F75-Y176 HydrophobicContact CZ-CD2 4.28Å; F75-Y176 HydrophobicContact CZ-CE1 4.39Å; F75-Y176 AromaticContact CZ-CG 3.62Å; F75-Y176 HydrophobicContact CZ-CG 3.62Å; V109-Y176 HydrophobicContact CG1-CE1 4.08Å; V109-Y176 HydrophobicContact CG2-CE1 4.17Å; D112-Y176 WeakPolarHBondContact CB-OH 3.41Å; L113-Y176 HydrophobicContact CD2-CE2 3.81Å; L173-Y176 HydrophobicContact CD2-CD2 4.06Å; L173-Y176 WeakPolarHBondContact O-CA 3.3Å; L173-Y176 WeakPolarHBondContact O-CB 3.39Å; L173-Y176 PolarHBondContact O-N 3.31Å; S174-Y176 PolarHBondContact O-N 2.92Å; Y176-A178 VanDerWaalsContact C-N 3.26Å; Y176-A178 PolarHBondContact O-N 2.96Å; Y176-D179 PolarHBondContact O-N 3.27Å; Y176-N182 VanDerWaalsContact O-CB 3.32Å; Y176-N182 WeakPolarHBondContact O-CB 3.4Å; Y176-N182 PolarHBondContact O-ND2 3.12Å
177	L	98.7	Very high	98.7	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-32.7	174.4	-174.2	68.3	0	0	0	111.9	R43 A44 L173 S174 D179 F184 L252 A255 V256 L259 L294	R43-L177 WeakPolarHBondContact CD-O 3.34Å; R43-L177 HydrophobicContact CG-CD1 3.77Å; R43-L177 HydrophobicContact CG-CG 4.34Å; R43-L177 VanDerWaalsContact CG-O 3.31Å; R43-L177 WeakPolarHBondContact CG-O 3.28Å; R43-L177 PolarHBondContact NH1-O 2.92Å; A44-L177 HydrophobicContact CB-CD1 4.35Å; L173-L177 PolarHBondContact O-N 2.68Å; S174-L177 WeakPolarHBondContact O-CB 3.41Å; S174-L177 PolarHBondContact O-N 2.96Å; S174-L177 VanDerWaalsContact O-N 3.08Å; L177-D179 VanDerWaalsContact C-N 3.33Å; L177-D179 PolarHBondContact O-N 3.25Å; L177-F184 HydrophobicContact CB-CD2 4.29Å; L177-F184 HydrophobicContact CB-CE2 3.97Å; L177-F184 HydrophobicContact CB-CZ 4.42Å; L177-F184 HydrophobicContact CD1-CB 4.25Å; L177-F184 HydrophobicContact CD1-CD2 3.52Å; L177-F184 HydrophobicContact CD1-CE2 4.09Å; L177-F184 HydrophobicContact CD1-CG 3.95Å; L177-L252 HydrophobicContact CD1-CD1 4.32Å; L177-L252 HydrophobicContact CD2-CD1 4.15Å; L177-A255 HydrophobicContact CD2-CB 3.82Å; L177-V256 HydrophobicContact CD2-CG2 3.93Å; L177-L259 HydrophobicContact CB-CD1 4Å; L177-L259 HydrophobicContact CD2-CD1 3.93Å; L177-L259 HydrophobicContact CG-CD1 3.99Å; L177-L294 HydrophobicContact CD1-CD2 4.31Å; L177-L294 HydrophobicContact CD2-CD2 4.47Å
178	A	98.2	Very high	98.7	Very high	36 Å²	36	29.6 Å²	29.6	30%	0.298	15%	0.151	S	C	.	.	H	α-helix	trans	-68.1	-26.7	177.6	0	0	0	0	0	114.1	R43 S174 Y176 L259 L264	R43-A178 PolarHBondContact NH1-O 2.88Å; S174-A178 PolarHBondContact O-N 3.09Å; Y176-A178 VanDerWaalsContact C-N 3.26Å; Y176-A178 PolarHBondContact O-N 2.96Å; A178-L259 HydrophobicContact CB-CD1 4.09Å; A178-L259 HydrophobicContact CB-CD2 3.89Å; A178-L264 HydrophobicContact CB-CD2 4.37Å
179	D	98.3	Very high	98.7	Very high	51 Å²	51	26.5 Å²	26.5	27%	0.273	14%	0.136	S	C	.	.	S	Bend	trans	-74.5	122.6	-176.6	-173.7	-36.9	0	0	0	111.7	R43 R73 Y176 L177 S181 N182	R43-D179 PolarHBondContact NH1-O 3.09Å; R73-D179 IonicContact CZ-OD2 3.76Å; R73-D179 IonicContact NH2-OD1 2.84Å; R73-D179 IonicContact NH2-OD2 3.3Å; R73-D179 PolarHBondContact NH2-OD2 3.36Å; Y176-D179 PolarHBondContact O-N 3.27Å; L177-D179 VanDerWaalsContact C-N 3.33Å; L177-D179 PolarHBondContact O-N 3.25Å; D179-S181 PolarHBondContact O-N 3.3Å; D179-S181 VanDerWaalsContact O-N 3.1Å; D179-S181 VanDerWaalsContact OD1-CB 3.3Å; D179-S181 WeakPolarHBondContact OD1-CB 3.47Å; D179-S181 PolarHBondContact OD1-N 2.91Å; D179-S181 PolarHBondContact OD1-OG 3.49Å; D179-N182 WeakPolarHBondContact O-CB 3.11Å; D179-N182 PolarHBondContact O-N 2.79Å
180	P	98.1	Very high	98.7	Very high	76 Å²	76	26.5 Å²	26.5	49%	0.494	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.1	-178.2	26.2	-34.3	0	0	0	115.9	R43 V70 N182	R43-P180 VanDerWaalsContact NH2-CA 3.27Å; V70-P180 VanDerWaalsContact CG1-O 3.29Å; V70-P180 WeakPolarHBondContact CG1-O 3.41Å; P180-N182 PolarHBondContact O-N 2.9Å
181	S	98.6	Very high	98.7	Very high	41 Å²	41	26.5 Å²	26.5	29%	0.287	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-4.4	178.7	-29.5	0	0	0	0	112.7	R72 R73 D179	R72-S181 PolarHBondContact N-O 3.35Å; R73-S181 PolarHBondContact N-O 3.11Å; D179-S181 PolarHBondContact O-N 3.3Å; D179-S181 VanDerWaalsContact O-N 3.1Å; D179-S181 VanDerWaalsContact OD1-CB 3.3Å; D179-S181 WeakPolarHBondContact OD1-CB 3.47Å; D179-S181 PolarHBondContact OD1-N 2.91Å; D179-S181 PolarHBondContact OD1-OG 3.49Å
182	N	98.9	Very high	98.7	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	149.4	-174.2	-63.4	-6.9	0	0	0	111.8	R43 R73 F75 Y176 D179 P180	R43-N182 WeakPolarHBondContact CD-O 3.24Å; R43-N182 PolarHBondContact NE-O 3.36Å; R73-N182 WeakPolarHBondContact CB-OD1 3.44Å; R73-N182 PolarHBondContact NE-OD1 2.57Å; R73-N182 PolarHBondContact NH2-OD1 3.06Å; R73-N182 CarbonylContact O-C 3.59Å; R73-N182 VanDerWaalsContact O-CA 3.28Å; R73-N182 WeakPolarHBondContact O-CA 3.44Å; F75-N182 HydrophobicContact CD2-CB 4.49Å; F75-N182 HydrophobicContact CE2-CB 4.25Å; Y176-N182 VanDerWaalsContact O-CB 3.32Å; Y176-N182 WeakPolarHBondContact O-CB 3.4Å; Y176-N182 PolarHBondContact O-ND2 3.12Å; D179-N182 WeakPolarHBondContact O-CB 3.11Å; D179-N182 PolarHBondContact O-N 2.79Å; P180-N182 PolarHBondContact O-N 2.9Å
183	L	98.9	Very high	98.7	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.4	169.3	170.9	67.6	0	0	0	108.8	R43 V66 T71 R73 V74 F75 I185	R43-L183 WeakPolarHBondContact O-CA 3.41Å; V66-L183 HydrophobicContact CB-CD2 4.36Å; V66-L183 HydrophobicContact CG1-CD2 3.84Å; V66-L183 HydrophobicContact CG2-CD1 4.33Å; V66-L183 HydrophobicContact CG2-CD2 3.56Å; T71-L183 HydrophobicContact CG2-CB 3.6Å; T71-L183 HydrophobicContact CG2-CD2 4.36Å; R73-L183 PolarHBondContact O-N 3.02Å; V74-L183 CarbonylContact C-O 3.58Å; V74-L183 WeakPolarHBondContact CA-O 3.38Å; V74-L183 HydrophobicContact CG1-CD2 4.05Å; V74-L183 HydrophobicContact CG1-CG 4.41Å; V74-L183 HydrophobicContact CG2-CB 4.39Å; V74-L183 HydrophobicContact CG2-CD2 4.27Å; F75-L183 PolarHBondContact N-O 3.5Å; L183-I185 HydrophobicContact CD2-CD1 4.27Å; L183-I185 HydrophobicContact CD2-CG1 4.06Å; L183-I185 HydrophobicContact CG-CG1 4.19Å
184	F	98.9	Very high	98.7	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.026	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.4	171.2	-80.6	-105.3	0	0	0	111.1	R43 A44 I45 F75 L77 L173 L177 I186	R43-F184 PolarHBondContact O-N 3.4Å; A44-F184 CarbonylContact C-O 3.43Å; A44-F184 WeakPolarHBondContact CA-O 3.46Å; A44-F184 HydrophobicContact CB-CB 3.79Å; A44-F184 WeakPolarHBondContact CB-O 3.27Å; I45-F184 PolarHBondContact N-O 3.18Å; F75-F184 HydrophobicContact CB-CD1 3.76Å; F75-F184 HydrophobicContact CB-CD2 4.35Å; F75-F184 HydrophobicContact CB-CE1 3.78Å; F75-F184 HydrophobicContact CB-CE2 4.36Å; F75-F184 HydrophobicContact CB-CG 4.04Å; F75-F184 HydrophobicContact CB-CZ 4.09Å; F75-F184 AromaticContact CD1-CE1 3.93Å; F75-F184 HydrophobicContact CD1-CE1 3.93Å; F75-F184 AromaticContact CD1-CZ 3.85Å; F75-F184 HydrophobicContact CD1-CZ 3.85Å; F75-F184 HydrophobicContact CD2-CD2 4.28Å; F75-F184 HydrophobicContact CD2-CE1 4.39Å; F75-F184 AromaticContact CD2-CE2 3.75Å; F75-F184 HydrophobicContact CD2-CE2 3.75Å; F75-F184 AromaticContact CD2-CZ 3.82Å; F75-F184 HydrophobicContact CD2-CZ 3.82Å; F75-F184 HydrophobicContact CE1-CZ 4.21Å; F75-F184 HydrophobicContact CE2-CE2 4.2Å; F75-F184 HydrophobicContact CE2-CZ 4.2Å; F75-F184 HydrophobicContact CG-CD1 4.24Å; F75-F184 HydrophobicContact CG-CD2 4.45Å; F75-F184 AromaticContact CG-CE1 3.78Å; F75-F184 HydrophobicContact CG-CE1 3.78Å; F75-F184 AromaticContact CG-CE2 4Å; F75-F184 HydrophobicContact CG-CE2 4Å; F75-F184 AromaticContact CG-CZ 3.64Å; F75-F184 HydrophobicContact CG-CZ 3.64Å; F75-F184 HydrophobicContact CZ-CZ 4.38Å; L77-F184 HydrophobicContact CD1-CD1 3.97Å; L77-F184 HydrophobicContact CD1-CE1 4.24Å; L173-F184 HydrophobicContact CB-CE1 4.15Å; L173-F184 HydrophobicContact CB-CZ 4.35Å; L173-F184 HydrophobicContact CD1-CE1 4.32Å; L177-F184 HydrophobicContact CB-CD2 4.29Å; L177-F184 HydrophobicContact CB-CE2 3.97Å; L177-F184 HydrophobicContact CB-CZ 4.42Å; L177-F184 HydrophobicContact CD1-CB 4.25Å; L177-F184 HydrophobicContact CD1-CD2 3.52Å; L177-F184 HydrophobicContact CD1-CE2 4.09Å; L177-F184 HydrophobicContact CD1-CG 3.95Å; F184-I186 HydrophobicContact CB-CD1 4.35Å
185	I	98.9	Very high	98.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	113.3	170.7	-53.9	-174.9	0	0	0	107.8	I45 Y63 V74 F75 I76 L77 H136 T140 L183	I45-I185 HydrophobicContact CD1-CD1 4.26Å; I45-I185 HydrophobicContact CD1-CG1 3.95Å; I45-I185 HydrophobicContact CD1-CG2 4.18Å; I45-I185 HydrophobicContact CG1-CB 4.19Å; I45-I185 HydrophobicContact CG1-CG1 3.9Å; I45-I185 HydrophobicContact CG1-CG2 4.11Å; Y63-I185 HydrophobicContact CE1-CD1 3.76Å; V74-I185 HydrophobicContact CG1-CD1 3.42Å; V74-I185 VanDerWaalsContact CG1-CD1 3.42Å; V74-I185 HydrophobicContact CG1-CG1 3.76Å; F75-I185 PolarHBondContact O-N 3.16Å; I76-I185 HydrophobicContact CG1-CB 4.35Å; I76-I185 HydrophobicContact CG1-CD1 4.28Å; I76-I185 HydrophobicContact CG2-CB 4.44Å; I76-I185 HydrophobicContact CG2-CG2 4.5Å; L77-I185 PolarHBondContact N-O 2.9Å; H136-I185 HydrophobicContact CB-CG2 4.1Å; H136-I185 WeakPolarHBondContact ND1-CG2 3.45Å; T140-I185 VanDerWaalsContact OG1-CD1 3.29Å; T140-I185 WeakPolarHBondContact OG1-CD1 3.32Å; L183-I185 HydrophobicContact CD2-CD1 4.27Å; L183-I185 HydrophobicContact CD2-CG1 4.06Å; L183-I185 HydrophobicContact CG-CG1 4.19Å
186	I	98.9	Very high	98.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	108.3	176.7	-53.4	-51.4	0	0	0	107.8	I45 I46 A47 L77 F184 P248 I249 L252	I45-I186 PolarHBondContact O-N 3Å; I46-I186 WeakPolarHBondContact CA-O 3.3Å; I46-I186 HydrophobicContact CG1-CB 3.96Å; I46-I186 HydrophobicContact CG1-CG2 4.22Å; A47-I186 PolarHBondContact N-O 3.05Å; A47-I186 VanDerWaalsContact N-O 3.16Å; L77-I186 HydrophobicContact CB-CD1 4Å; L77-I186 HydrophobicContact CD2-CD1 3.93Å; L77-I186 HydrophobicContact CG-CD1 4.4Å; F184-I186 HydrophobicContact CB-CD1 4.35Å; I186-P248 HydrophobicContact CG2-CB 3.64Å; I186-I249 HydrophobicContact CG2-CG1 3.76Å; I186-L252 HydrophobicContact CD1-CB 4.09Å; I186-L252 HydrophobicContact CG1-CB 3.98Å; I186-L252 HydrophobicContact CG1-CD2 3.75Å; I186-L252 HydrophobicContact CG1-CG 4.27Å
187	S	98.9	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	117.6	-174.1	175.3	0	0	0	0	110.8	H49 L77 P79 S132 H136 G245	H49-S187 WeakPolarHBondContact CB-OG 3.46Å; H49-S187 PolarHBondContact ND1-OG 2.62Å; L77-S187 WeakPolarHBondContact O-CB 3.41Å; L77-S187 PolarHBondContact O-N 3.12Å; P79-S187 WeakPolarHBondContact CD-O 3.24Å; S132-S187 WeakPolarHBondContact O-CB 3.43Å; S132-S187 PolarHBondContact O-OG 3.49Å; H136-S187 WeakPolarHBondContact NE2-CA 3.36Å; H136-S187 WeakPolarHBondContact NE2-CB 3.4Å; H136-S187 PolarHBondContact NE2-OG 3.07Å; S187-G245 WeakPolarHBondContact O-CA 3.49Å
188	S	98.9	Very high	98.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.183	C	C	.	.			trans	-160	128.1	177.3	-162.1	0	0	0	0	113	A47 P48 I243 G245	A47-S188 PolarHBondContact O-N 3.46Å; P48-S188 WeakPolarHBondContact CA-O 3.5Å; S188-I243 VanDerWaalsContact OG-CG2 3.31Å; S188-I243 WeakPolarHBondContact OG-CG2 3.31Å; S188-G245 WeakPolarHBondContact OG-CA 3.17Å; S188-G245 PolarHBondContact OG-N 3.03Å
189	D	98.8	Very high	98.6	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.043	17%	0.173	C	C	.	.			trans	-79.6	163.9	150.9	-64.9	-12.5	0	0	0	110	P48 H49 A50 C244 V287	P48-D189 VanDerWaalsContact CA-OD1 3.24Å; P48-D189 WeakPolarHBondContact CA-OD1 3.44Å; P48-D189 WeakPolarHBondContact CB-OD1 3.2Å; H49-D189 IonicContact CD2-OD2 3.83Å; H49-D189 PolarHBondContact N-OD1 3.21Å; A50-D189 PolarHBondContact N-OD1 3.37Å; A50-D189 PolarHBondContact N-OD2 3.46Å; D189-C244 PolarHBondContact N-SG 3.23Å; D189-C244 PolarHBondContact O-SG 3.46Å; D189-V287 HydrophobicContact CB-CG1 3.91Å
190	F	98.8	Very high	98.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.177	C	C	.	.			trans	-104.2	-141.7	-178.6	-88.3	-107.9	0	0	0	110.3	I46 H192 D217 M221 I224 I243 F270 S288 A290	I46-F190 HydrophobicContact CG2-CE2 4.25Å; F190-H192 PolarHBondContact O-CD2 2.95Å; F190-H192 PolarHBondContact O-N 3.13Å; F190-H192 VanDerWaalsContact O-N 3.16Å; F190-D217 HydrophobicContact CD1-CB 4.21Å; F190-M221 HydrophobicContact CD1-CG 4.25Å; F190-M221 HydrophobicContact CE1-CG 3.55Å; F190-M221 HydrophobicContact CZ-CG 3.94Å; F190-I224 HydrophobicContact CE1-CD1 4.44Å; F190-I224 HydrophobicContact CZ-CD1 4.09Å; F190-I243 HydrophobicContact CD1-CD1 4.09Å; F190-I243 HydrophobicContact CD1-CG1 4.09Å; F190-I243 HydrophobicContact CE1-CD1 4.19Å; F190-I243 HydrophobicContact CG-CG1 4.47Å; F190-F270 HydrophobicContact CE2-CE1 4.19Å; F190-F270 HydrophobicContact CE2-CZ 4.44Å; F190-F270 AromaticContact CZ-CE1 3.92Å; F190-F270 HydrophobicContact CZ-CE1 3.92Å; F190-F270 AromaticContact CZ-CZ 3.77Å; F190-F270 HydrophobicContact CZ-CZ 3.77Å; F190-S288 PolarHBondContact N-O 3.05Å; F190-A290 HydrophobicContact CD2-CB 3.71Å; F190-A290 HydrophobicContact CE2-CB 3.62Å; F190-A290 HydrophobicContact CG-CB 4.29Å; F190-A290 HydrophobicContact CZ-CB 4.12Å
191	C	98.8	Very high	98.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	17%	0.167	C	C	.	.			trans	-53.3	122.3	-174.9	-173.6	0	0	0	0	113.3	I213 D217 N241 V287 S288	C191-I213 HydrophobicContact CB-CG2 3.83Å; C191-D217 WeakPolarHBondContact CB-OD1 3.39Å; C191-D217 WeakPolarHBondContact CB-OD2 3.08Å; C191-D217 PolarHBondContact N-OD1 2.88Å; C191-N241 VanDerWaalsContact CA-OD1 3.3Å; C191-N241 WeakPolarHBondContact CA-OD1 3.4Å; C191-N241 WeakPolarHBondContact CB-OD1 3.44Å; C191-N241 PolarHBondContact SG-OD1 2.95Å; C191-N241 VanDerWaalsContact SG-OD1 3.4Å; C191-V287 CarbonylContact O-C 3.58Å; C191-V287 VanDerWaalsContact O-CA 3.31Å; C191-V287 WeakPolarHBondContact O-CA 3.37Å; C191-S288 PolarHBondContact O-N 3.42Å
192	H	98.8	Very high	98.7	Very high	32 Å²	32	39.7 Å²	39.7	15%	0.148	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	97.1	162.3	-63.9	-115.3	0	0	0	107.6	F190 F197 T242	F190-H192 PolarHBondContact O-CD2 2.95Å; F190-H192 PolarHBondContact O-N 3.13Å; F190-H192 VanDerWaalsContact O-N 3.16Å; H192-F197 VanDerWaalsContact C-CD2 3.47Å; H192-F197 HydrophobicContact CB-CB 4.16Å; H192-F197 HydrophobicContact CB-CD1 3.89Å; H192-F197 HydrophobicContact CB-CD2 3.7Å; H192-F197 HydrophobicContact CB-CE1 4.11Å; H192-F197 HydrophobicContact CB-CE2 3.9Å; H192-F197 HydrophobicContact CB-CG 3.66Å; H192-F197 HydrophobicContact CB-CZ 4.1Å; H192-F197 AromaticContact ND1-CE1 3.76Å; H192-F197 AromaticContact ND1-CZ 3.88Å; H192-F197 WeakPolarHBondContact O-CB 3.38Å; H192-T242 WeakPolarHBondContact CA-OG1 3.43Å; H192-T242 PolarHBondContact CD2-O 2.91Å; H192-T242 VanDerWaalsContact CD2-O 3.23Å; H192-T242 PolarHBondContact N-OG1 2.95Å; H192-T242 PolarHBondContact O-OG1 2.94Å
193	W	98.8	Very high	98.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.3	-175.4	-166	97.9	0	0	0	111.8	F197 T200 Y201 I209 I213 C279 W282 D284 S285 S286	W193-F197 WeakPolarHBondContact O-CD2 3.13Å; W193-T200 HydrophobicContact CH2-CG2 4.43Å; W193-T200 HydrophobicContact CZ2-CG2 4.24Å; W193-Y201 PolarHBondContact NE1-O 2.98Å; W193-I209 HydrophobicContact CD2-CG2 3.94Å; W193-I209 HydrophobicContact CE3-CG2 4.12Å; W193-I209 HydrophobicContact CH2-CD1 3.69Å; W193-I209 HydrophobicContact CH2-CG2 3.61Å; W193-I209 HydrophobicContact CZ2-CD1 4.01Å; W193-I209 HydrophobicContact CZ2-CG1 4.49Å; W193-I209 HydrophobicContact CZ2-CG2 3.35Å; W193-I209 HydrophobicContact CZ3-CG2 3.97Å; W193-I213 HydrophobicContact CB-CD1 3.49Å; W193-I213 VanDerWaalsContact CB-CD1 3.49Å; W193-I213 HydrophobicContact CB-CG1 4.01Å; W193-I213 HydrophobicContact CD2-CD1 3.84Å; W193-I213 HydrophobicContact CD2-CG1 4.44Å; W193-I213 HydrophobicContact CE3-CD1 4.38Å; W193-I213 HydrophobicContact CG-CD1 3.41Å; W193-I213 VanDerWaalsContact CG-CD1 3.41Å; W193-I213 HydrophobicContact CG-CG1 3.76Å; W193-C279 HydrophobicContact CE3-CB 3.99Å; W193-C279 HydrophobicContact CZ3-CB 4.03Å; W193-W282 AromaticContact CH2-CE3 3.84Å; W193-W282 HydrophobicContact CH2-CE3 3.84Å; W193-W282 HydrophobicContact CH2-CZ3 4.27Å; W193-W282 AromaticContact CZ2-CE3 3.84Å; W193-W282 HydrophobicContact CZ2-CE3 3.84Å; W193-W282 AromaticContact CZ2-CZ3 3.79Å; W193-W282 HydrophobicContact CZ2-CZ3 3.79Å; W193-D284 VanDerWaalsContact CZ3-O 3.31Å; W193-D284 WeakPolarHBondContact CZ3-O 3.45Å; W193-S285 CarbonylContact O-C 3.59Å; W193-S285 WeakPolarHBondContact O-CA 3.46Å; W193-S285 VanDerWaalsContact O-CB 3.22Å; W193-S285 WeakPolarHBondContact O-CB 3.48Å; W193-S286 PolarHBondContact N-O 3.04Å; W193-S286 PolarHBondContact O-N 2.85Å
194	G	98.5	Very high	98.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	131	165.1	173.8	0	0	0	0	0	113.1	R196 F197 R198 Y199	G194-R196 PolarHBondContact O-N 3.49Å; G194-F197 PolarHBondContact O-N 2.92Å; G194-R198 PolarHBondContact O-N 3.16Å; G194-Y199 PolarHBondContact N-O 2.83Å; G194-Y199 PolarHBondContact O-N 2.91Å
195	Q	97.9	Very high	98.6	Very high	118 Å²	118	52.9 Å²	52.9	55%	0.551	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-56.9	-37	-177.7	-68	-176.9	5.2	0	0	113	F197 R198 T200 W282	Q195-F197 PolarHBondContact O-N 3.35Å; Q195-F197 VanDerWaalsContact O-N 3.16Å; Q195-R198 PolarHBondContact O-N 3Å; Q195-T200 HydrophobicContact CG-CG2 4.36Å; Q195-W282 PolarHBondContact NE2-O 3.07Å
196	R	97.8	Very high	98.6	Very high	158 Å²	158	55.9 Å²	55.9	60%	0.596	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-60.3	-25.1	178	70.3	176.1	-178	169.7	-3.6	113.7	G194 S285	G194-R196 PolarHBondContact O-N 3.49Å; R196-S285 PolarHBondContact NE-OG 2.62Å; R196-S285 VanDerWaalsContact NE-OG 3.13Å
197	F	98	Very high	98.5	Very high	58 Å²	58	57.7 Å²	57.7	25%	0.254	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-97.9	-1	176.7	-56.2	-61.2	0	0	0	112.7	H192 W193 G194 Q195 Y199 V287	H192-F197 VanDerWaalsContact C-CD2 3.47Å; H192-F197 HydrophobicContact CB-CB 4.16Å; H192-F197 HydrophobicContact CB-CD1 3.89Å; H192-F197 HydrophobicContact CB-CD2 3.7Å; H192-F197 HydrophobicContact CB-CE1 4.11Å; H192-F197 HydrophobicContact CB-CE2 3.9Å; H192-F197 HydrophobicContact CB-CG 3.66Å; H192-F197 HydrophobicContact CB-CZ 4.1Å; H192-F197 AromaticContact ND1-CE1 3.76Å; H192-F197 AromaticContact ND1-CZ 3.88Å; H192-F197 WeakPolarHBondContact O-CB 3.38Å; W193-F197 WeakPolarHBondContact O-CD2 3.13Å; G194-F197 PolarHBondContact O-N 2.92Å; Q195-F197 PolarHBondContact O-N 3.35Å; Q195-F197 VanDerWaalsContact O-N 3.16Å; F197-Y199 PolarHBondContact O-N 3.28Å; F197-V287 HydrophobicContact CE2-CG2 4.11Å; F197-V287 HydrophobicContact CZ-CG2 3.8Å
198	R	98.4	Very high	98.5	Very high	226 Å²	226	61.3 Å²	61.3	85%	0.853	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	36.2	-171.9	-59.3	179.9	-68.3	-86.1	-1.2	112.2	G194 Q195	G194-R198 PolarHBondContact O-N 3.16Å; Q195-R198 PolarHBondContact O-N 3Å
199	Y	98.7	Very high	98.5	Very high	23 Å²	23	61.7 Å²	61.7	9%	0.09	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-140.9	108.9	-179.8	-169.5	-101.7	0	0	0	110.3	G194 F197 Y201 L216 Y239 R240 N241 T242	G194-Y199 PolarHBondContact N-O 2.83Å; G194-Y199 PolarHBondContact O-N 2.91Å; F197-Y199 PolarHBondContact O-N 3.28Å; Y199-Y201 WeakPolarHBondContact OH-CB 3.44Å; Y199-L216 HydrophobicContact CE1-CD2 4.05Å; Y199-L216 VanDerWaalsContact OH-CD2 3.32Å; Y199-L216 WeakPolarHBondContact OH-CD2 3.39Å; Y199-Y239 WeakPolarHBondContact CE2-O 3.4Å; Y199-Y239 PolarHBondContact OH-O 3.23Å; Y199-R240 HydrophobicContact CE2-CB 4.4Å; Y199-R240 WeakPolarHBondContact CE2-O 3.41Å; Y199-N241 WeakPolarHBondContact OH-CA 3.47Å; Y199-N241 PolarHBondContact OH-N 3.1Å; Y199-T242 HydrophobicContact CD1-CG2 4.09Å; Y199-T242 HydrophobicContact CD2-CG2 3.88Å; Y199-T242 HydrophobicContact CG-CG2 3.6Å
200	T	98.6	Very high	98.5	Very high	58 Å²	58	62.6 Å²	62.6	36%	0.356	29%	0.294	S	S	.	.			trans	-135.4	38.4	-177.4	57.1	0	0	0	0	110.5	W193 Q195 Y202	W193-T200 HydrophobicContact CH2-CG2 4.43Å; W193-T200 HydrophobicContact CZ2-CG2 4.24Å; Q195-T200 HydrophobicContact CG-CG2 4.36Å; T200-Y202 PolarHBondContact O-N 3.06Å
201	Y	98.7	Very high	98.5	Very high	74 Å²	74	68 Å²	68	29%	0.29	31%	0.314	S	S	.	.			trans	-54.4	134.3	172.3	173.6	-91.4	0	0	0	109.2	W193 Y199 D203 L216 Y239	W193-Y201 PolarHBondContact NE1-O 2.98Å; Y199-Y201 WeakPolarHBondContact OH-CB 3.44Å; Y201-D203 HydrophobicContact CE1-CB 4.03Å; Y201-L216 HydrophobicContact CD1-CD1 4.39Å; Y201-L216 HydrophobicContact CD1-CD2 3.86Å; Y201-L216 HydrophobicContact CE1-CD1 4.21Å; Y201-L216 HydrophobicContact CE1-CD2 4.43Å; Y201-Y239 HydrophobicContact CE1-CD1 4.47Å; Y201-Y239 AromaticContact CE2-CD1 3.91Å; Y201-Y239 HydrophobicContact CE2-CD1 3.91Å; Y201-Y239 HydrophobicContact CE2-CE1 4.31Å; Y201-Y239 AromaticContact CZ-CD1 3.82Å; Y201-Y239 AromaticContact CZ-CE1 3.99Å; Y201-Y239 WeakPolarHBondContact OH-CE1 3.44Å
202	Y	98.8	Very high	98.5	Very high	69 Å²	69	68 Å²	68	27%	0.271	31%	0.314	S	S	.	.			trans	-146.2	124.3	179.6	176.6	-132.1	0	0	0	109.4	T200 E204 G207 I209 W282	T200-Y202 PolarHBondContact O-N 3.06Å; Y202-E204 HydrophobicContact CD1-CG 3.84Å; Y202-E204 HydrophobicContact CE1-CB 4.3Å; Y202-E204 HydrophobicContact CE1-CG 3.31Å; Y202-G207 VanDerWaalsContact CE2-O 3.26Å; Y202-G207 WeakPolarHBondContact CE2-O 3.34Å; Y202-G207 PolarHBondContact OH-O 3.16Å; Y202-I209 HydrophobicContact CD2-CG1 4.05Å; Y202-I209 HydrophobicContact CE2-CG1 4.05Å; Y202-I209 HydrophobicContact CG-CG1 4.49Å; Y202-W282 AromaticContact CD1-CH2 3.6Å; Y202-W282 HydrophobicContact CD1-CH2 3.6Å; Y202-W282 AromaticContact CD1-CZ2 3.8Å; Y202-W282 HydrophobicContact CD1-CZ2 3.8Å; Y202-W282 HydrophobicContact CE1-CZ2 4.41Å; Y202-W282 AromaticContact CG-CH2 3.91Å; Y202-W282 HydrophobicContact CG-CH2 3.91Å
203	D	98.5	Very high	98.5	Very high	43 Å²	43	66.5 Å²	66.5	23%	0.23	31%	0.307	C	S	.	.			trans	-104.9	101.7	172.6	-174.8	-14.5	0	0	0	108.3	Y201 S205 Q206 S212	Y201-D203 HydrophobicContact CE1-CB 4.03Å; D203-S205 VanDerWaalsContact CG-OG 3.24Å; D203-S205 PolarHBondContact O-N 2.95Å; D203-S205 VanDerWaalsContact O-N 3.14Å; D203-S205 VanDerWaalsContact OD1-CB 3.29Å; D203-S205 WeakPolarHBondContact OD1-CB 3.47Å; D203-S205 PolarHBondContact OD1-N 3.44Å; D203-S205 PolarHBondContact OD1-OG 2.78Å; D203-S205 PolarHBondContact OD2-OG 2.78Å; D203-Q206 HydrophobicContact CB-CG 4.09Å; D203-Q206 WeakPolarHBondContact O-CB 3.46Å; D203-Q206 PolarHBondContact O-N 2.94Å; D203-S212 PolarHBondContact N-OG 2.96Å
204	E	98.3	Very high	98.5	Very high	154 Å²	154	68 Å²	68	72%	0.72	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-56.7	-27.1	-179.2	-74.8	177	-164.8	0	0	113	Y202 Q206 G207	Y202-E204 HydrophobicContact CD1-CG 3.84Å; Y202-E204 HydrophobicContact CE1-CB 4.3Å; Y202-E204 HydrophobicContact CE1-CG 3.31Å; E204-Q206 PolarHBondContact O-N 3.38Å; E204-Q206 VanDerWaalsContact O-N 3.14Å; E204-G207 PolarHBondContact O-N 3.38Å; E204-G207 VanDerWaalsContact O-N 3.16Å
205	S	98.6	Very high	98.6	Very high	89 Å²	89	71.3 Å²	71.3	62%	0.622	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-64.8	-18.6	178.7	74.3	0	0	0	0	113.2	D203	D203-S205 VanDerWaalsContact CG-OG 3.24Å; D203-S205 PolarHBondContact O-N 2.95Å; D203-S205 VanDerWaalsContact O-N 3.14Å; D203-S205 VanDerWaalsContact OD1-CB 3.29Å; D203-S205 WeakPolarHBondContact OD1-CB 3.47Å; D203-S205 PolarHBondContact OD1-N 3.44Å; D203-S205 PolarHBondContact OD1-OG 2.78Å; D203-S205 PolarHBondContact OD2-OG 2.78Å
206	Q	98.6	Very high	98.6	Very high	64 Å²	64	65.8 Å²	65.8	30%	0.299	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-91.4	0.6	-179.5	-55.4	-56	-54.6	0	0	113.3	D203 E204 R211 H215	D203-Q206 HydrophobicContact CB-CG 4.09Å; D203-Q206 WeakPolarHBondContact O-CB 3.46Å; D203-Q206 PolarHBondContact O-N 2.94Å; E204-Q206 PolarHBondContact O-N 3.38Å; E204-Q206 VanDerWaalsContact O-N 3.14Å; Q206-R211 WeakPolarHBondContact O-CB 3.29Å; Q206-H215 HydrophobicContact CB-CB 4.4Å; Q206-H215 HydrophobicContact CG-CB 3.81Å; Q206-H215 VanDerWaalsContact OE1-CG 3.28Å; Q206-H215 PolarHBondContact OE1-ND1 2.9Å
207	G	98.4	Very high	98.7	Very high	37 Å²	37	58.3 Å²	58.3	38%	0.381	28%	0.276	S	S	.	.			trans	86.4	-131	179.5	0	0	0	0	0	112.9	Y202 E204	Y202-G207 VanDerWaalsContact CE2-O 3.26Å; Y202-G207 WeakPolarHBondContact CE2-O 3.34Å; Y202-G207 PolarHBondContact OH-O 3.16Å; E204-G207 PolarHBondContact O-N 3.38Å; E204-G207 VanDerWaalsContact O-N 3.16Å
208	E	98.6	Very high	98.7	Very high	77 Å²	77	59.8 Å²	59.8	36%	0.36	28%	0.282	S	S	.	.	S	Bend	trans	-62.5	155.8	-178.7	-66.2	-168.6	-157.1	0	0	112.5	Y210 R211 S212 R280	E208-Y210 VanDerWaalsContact C-N 3.3Å; E208-Y210 HydrophobicContact CB-CD1 3.65Å; E208-Y210 HydrophobicContact CB-CE1 3.58Å; E208-Y210 HydrophobicContact CG-CE1 4.14Å; E208-Y210 PolarHBondContact O-N 2.99Å; E208-Y210 WeakPolarHBondContact OE2-CD1 3.4Å; E208-Y210 WeakPolarHBondContact OE2-CE1 3.37Å; E208-R211 WeakPolarHBondContact O-CA 3.48Å; E208-R211 WeakPolarHBondContact O-CB 3.36Å; E208-R211 PolarHBondContact O-N 2.94Å; E208-S212 PolarHBondContact O-N 2.85Å; E208-S212 VanDerWaalsContact O-N 3.1Å; E208-R280 IonicContact OE1-CZ 3.4Å; E208-R280 IonicContact OE1-NH1 2.88Å; E208-R280 PolarHBondContact OE1-NH1 3.22Å; E208-R280 WeakPolarHBondContact OE2-CG 3.34Å; E208-R280 IonicContact OE2-CZ 3.95Å; E208-R280 IonicContact OE2-NE 3.84Å; E208-R280 PolarHBondContact OE2-NE 2.96Å; E208-R280 IonicContact OE2-NH1 3.72Å; E208-R280 PolarHBondContact OE2-NH1 2.91Å; E208-R280 IonicContact OE2-NH2 3.98Å
209	I	98.8	Very high	98.7	Very high	8 Å²	8	51.4 Å²	51.4	4%	0.041	25%	0.253	C	S	.	.	H	α-helix	trans	-52.7	-46.3	-177	-63.8	176.5	0	0	0	111.6	W193 Y202 R211 S212 I213 C279 W282	W193-I209 HydrophobicContact CD2-CG2 3.94Å; W193-I209 HydrophobicContact CE3-CG2 4.12Å; W193-I209 HydrophobicContact CH2-CD1 3.69Å; W193-I209 HydrophobicContact CH2-CG2 3.61Å; W193-I209 HydrophobicContact CZ2-CD1 4.01Å; W193-I209 HydrophobicContact CZ2-CG1 4.49Å; W193-I209 HydrophobicContact CZ2-CG2 3.35Å; W193-I209 HydrophobicContact CZ3-CG2 3.97Å; Y202-I209 HydrophobicContact CD2-CG1 4.05Å; Y202-I209 HydrophobicContact CE2-CG1 4.05Å; Y202-I209 HydrophobicContact CG-CG1 4.49Å; I209-R211 PolarHBondContact O-N 3.45Å; I209-S212 WeakPolarHBondContact O-CB 3.38Å; I209-S212 PolarHBondContact O-N 3.26Å; I209-S212 VanDerWaalsContact O-N 3.07Å; I209-I213 HydrophobicContact CG2-CD1 3.95Å; I209-I213 HydrophobicContact CG2-CG1 4.37Å; I209-I213 WeakPolarHBondContact O-CG1 3.36Å; I209-I213 PolarHBondContact O-N 3.43Å; I209-C279 HydrophobicContact CB-CB 4.26Å; I209-C279 WeakPolarHBondContact CB-O 3.47Å; I209-C279 HydrophobicContact CG2-CB 3.73Å; I209-W282 HydrophobicContact CD1-CD2 4.45Å; I209-W282 HydrophobicContact CD1-CE3 4.47Å
210	Y	98.8	Very high	98.7	Very high	26 Å²	26	50.3 Å²	50.3	10%	0.102	25%	0.249	C	C	.	.	H	α-helix	trans	-60.6	-28.6	178.9	82.3	-89	0	0	0	113.8	E208 E214 Q275 Q278 C279	E208-Y210 VanDerWaalsContact C-N 3.3Å; E208-Y210 HydrophobicContact CB-CD1 3.65Å; E208-Y210 HydrophobicContact CB-CE1 3.58Å; E208-Y210 HydrophobicContact CG-CE1 4.14Å; E208-Y210 PolarHBondContact O-N 2.99Å; E208-Y210 WeakPolarHBondContact OE2-CD1 3.4Å; E208-Y210 WeakPolarHBondContact OE2-CE1 3.37Å; Y210-E214 WeakPolarHBondContact O-CB 3.46Å; Y210-E214 PolarHBondContact O-N 3.26Å; Y210-Q275 PolarHBondContact O-NE2 2.92Å; Y210-Q278 HydrophobicContact CD1-CB 4.14Å; Y210-Q278 HydrophobicContact CD1-CG 4.49Å; Y210-Q278 HydrophobicContact CD2-CB 4.44Å; Y210-Q278 HydrophobicContact CD2-CG 4Å; Y210-Q278 HydrophobicContact CE2-CG 4.45Å; Y210-Q278 HydrophobicContact CG-CB 3.96Å; Y210-Q278 HydrophobicContact CG-CG 4.03Å; Y210-C279 WeakPolarHBondContact CB-O 3.31Å; Y210-C279 PolarHBondContact N-O 2.76Å
211	R	98.9	Very high	98.7	Very high	113 Å²	113	48.1 Å²	48.1	43%	0.426	24%	0.235	S	C	.	.	H	α-helix	trans	-77	-36.2	174.2	-67.1	-61.9	-173.1	179.3	0.7	112.2	Q206 E208 I209 I213 E214 H215	Q206-R211 WeakPolarHBondContact O-CB 3.29Å; E208-R211 WeakPolarHBondContact O-CA 3.48Å; E208-R211 WeakPolarHBondContact O-CB 3.36Å; E208-R211 PolarHBondContact O-N 2.94Å; I209-R211 PolarHBondContact O-N 3.45Å; R211-I213 VanDerWaalsContact C-N 3.34Å; R211-E214 WeakPolarHBondContact CD-OE2 3.19Å; R211-E214 IonicContact CZ-OE2 2.72Å; R211-E214 IonicContact NE-OE2 3.85Å; R211-E214 IonicContact NH1-OE1 3.79Å; R211-E214 IonicContact NH1-OE2 3.99Å; R211-E214 PolarHBondContact NH1-OE2 3.4Å; R211-E214 PolarHBondContact O-N 3.03Å; R211-H215 WeakPolarHBondContact O-CB 3.39Å; R211-H215 PolarHBondContact O-N 3.35Å
212	S	98.9	Very high	98.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-42.2	169.9	179.2	0	0	0	0	111.8	D203 E208 I209 H215 L216	D203-S212 PolarHBondContact N-OG 2.96Å; E208-S212 PolarHBondContact O-N 2.85Å; E208-S212 VanDerWaalsContact O-N 3.1Å; I209-S212 WeakPolarHBondContact O-CB 3.38Å; I209-S212 PolarHBondContact O-N 3.26Å; I209-S212 VanDerWaalsContact O-N 3.07Å; S212-H215 PolarHBondContact O-N 3.41Å; S212-L216 WeakPolarHBondContact O-CB 3.31Å; S212-L216 PolarHBondContact O-N 2.91Å
213	I	98.9	Very high	98.8	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-59.9	-49.6	173	-63.3	166.9	0	0	0	110.3	C191 W193 I209 R211 H215 L216 D217 C279 S288	C191-I213 HydrophobicContact CB-CG2 3.83Å; W193-I213 HydrophobicContact CB-CD1 3.49Å; W193-I213 VanDerWaalsContact CB-CD1 3.49Å; W193-I213 HydrophobicContact CB-CG1 4.01Å; W193-I213 HydrophobicContact CD2-CD1 3.84Å; W193-I213 HydrophobicContact CD2-CG1 4.44Å; W193-I213 HydrophobicContact CE3-CD1 4.38Å; W193-I213 HydrophobicContact CG-CD1 3.41Å; W193-I213 VanDerWaalsContact CG-CD1 3.41Å; W193-I213 HydrophobicContact CG-CG1 3.76Å; I209-I213 HydrophobicContact CG2-CD1 3.95Å; I209-I213 HydrophobicContact CG2-CG1 4.37Å; I209-I213 WeakPolarHBondContact O-CG1 3.36Å; I209-I213 PolarHBondContact O-N 3.43Å; R211-I213 VanDerWaalsContact C-N 3.34Å; I213-H215 VanDerWaalsContact C-N 3.35Å; I213-H215 PolarHBondContact O-N 2.93Å; I213-L216 PolarHBondContact O-N 3.31Å; I213-D217 PolarHBondContact O-N 2.83Å; I213-C279 HydrophobicContact CD1-CB 4.19Å; I213-S288 WeakPolarHBondContact CG2-OG 3.39Å
214	E	98.9	Very high	98.8	Very high	31 Å²	31	43 Å²	43	15%	0.145	22%	0.221	C	C	.	.	H	α-helix	trans	-58.5	-45.2	178.7	179.2	-179.5	-172.9	0	0	111.9	Y210 R211 D217 K218 Y273	Y210-E214 WeakPolarHBondContact O-CB 3.46Å; Y210-E214 PolarHBondContact O-N 3.26Å; R211-E214 WeakPolarHBondContact CD-OE2 3.19Å; R211-E214 IonicContact CZ-OE2 2.72Å; R211-E214 IonicContact NE-OE2 3.85Å; R211-E214 IonicContact NH1-OE1 3.79Å; R211-E214 IonicContact NH1-OE2 3.99Å; R211-E214 PolarHBondContact NH1-OE2 3.4Å; R211-E214 PolarHBondContact O-N 3.03Å; E214-D217 PolarHBondContact O-N 3.36Å; E214-K218 HydrophobicContact CG-CD 3.96Å; E214-K218 HydrophobicContact CG-CG 4.41Å; E214-K218 VanDerWaalsContact O-CB 3.27Å; E214-K218 WeakPolarHBondContact O-CB 3.09Å; E214-K218 WeakPolarHBondContact O-CG 3.48Å; E214-K218 PolarHBondContact O-N 3.42Å; E214-K218 WeakPolarHBondContact OE1-CE 3.49Å; E214-K218 IonicContact OE1-NZ 3.92Å; E214-K218 PolarHBondContact OE1-NZ 2.87Å; E214-Y273 WeakPolarHBondContact CA-OH 3.4Å; E214-Y273 HydrophobicContact CB-CE1 3.96Å; E214-Y273 HydrophobicContact CG-CD1 4.19Å; E214-Y273 HydrophobicContact CG-CE1 3.73Å
215	H	98.9	Very high	98.8	Very high	70 Å²	70	38.6 Å²	38.6	32%	0.324	20%	0.201	S	C	.	.	H	α-helix	trans	-61.7	-46.3	176.6	-179.4	85.8	0	0	0	111.6	Q206 R211 S212 I213 D217 K218 M219	Q206-H215 HydrophobicContact CB-CB 4.4Å; Q206-H215 HydrophobicContact CG-CB 3.81Å; Q206-H215 VanDerWaalsContact OE1-CG 3.28Å; Q206-H215 PolarHBondContact OE1-ND1 2.9Å; R211-H215 WeakPolarHBondContact O-CB 3.39Å; R211-H215 PolarHBondContact O-N 3.35Å; S212-H215 PolarHBondContact O-N 3.41Å; I213-H215 VanDerWaalsContact C-N 3.35Å; I213-H215 PolarHBondContact O-N 2.93Å; H215-D217 PolarHBondContact O-N 3.03Å; H215-K218 PolarHBondContact O-N 3.09Å; H215-M219 VanDerWaalsContact NE2-CE 3.32Å; H215-M219 WeakPolarHBondContact NE2-CE 3.22Å; H215-M219 WeakPolarHBondContact O-CB 3.35Å; H215-M219 PolarHBondContact O-N 2.88Å
216	L	98.9	Very high	98.8	Very high	2 Å²	2	40 Å²	40	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-45.8	179	177.7	68.4	0	0	0	111.5	Y199 Y201 S212 I213 G220 Y235 Y239 N241	Y199-L216 HydrophobicContact CE1-CD2 4.05Å; Y199-L216 VanDerWaalsContact OH-CD2 3.32Å; Y199-L216 WeakPolarHBondContact OH-CD2 3.39Å; Y201-L216 HydrophobicContact CD1-CD1 4.39Å; Y201-L216 HydrophobicContact CD1-CD2 3.86Å; Y201-L216 HydrophobicContact CE1-CD1 4.21Å; Y201-L216 HydrophobicContact CE1-CD2 4.43Å; S212-L216 WeakPolarHBondContact O-CB 3.31Å; S212-L216 PolarHBondContact O-N 2.91Å; I213-L216 PolarHBondContact O-N 3.31Å; L216-G220 PolarHBondContact O-N 3.35Å; L216-Y235 HydrophobicContact CD1-CE2 4.01Å; L216-Y235 PolarHBondContact O-OH 3.4Å; L216-Y239 HydrophobicContact CD1-CD1 3.86Å; L216-Y239 HydrophobicContact CD1-CD2 4.27Å; L216-Y239 HydrophobicContact CD1-CG 3.67Å; L216-N241 HydrophobicContact CD2-CB 4.01Å; L216-N241 HydrophobicContact CG-CB 4.26Å
217	D	98.9	Very high	98.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.4	-47.8	178	-75.5	-35.1	0	0	0	111.5	F190 C191 I213 E214 H215 M219 G220 M221 N241 Y273 S288	F190-D217 HydrophobicContact CD1-CB 4.21Å; C191-D217 WeakPolarHBondContact CB-OD1 3.39Å; C191-D217 WeakPolarHBondContact CB-OD2 3.08Å; C191-D217 PolarHBondContact N-OD1 2.88Å; I213-D217 PolarHBondContact O-N 2.83Å; E214-D217 PolarHBondContact O-N 3.36Å; H215-D217 PolarHBondContact O-N 3.03Å; D217-M219 PolarHBondContact O-N 3.28Å; D217-G220 CarbonylContact O-C 3.6Å; D217-G220 WeakPolarHBondContact O-CA 3.45Å; D217-G220 PolarHBondContact O-N 3.44Å; D217-M221 VanDerWaalsContact O-CG 3.29Å; D217-M221 WeakPolarHBondContact O-CG 3.18Å; D217-M221 PolarHBondContact O-N 2.94Å; D217-N241 PolarHBondContact OD1-ND2 2.88Å; D217-Y273 HydrophobicContact CB-CE2 3.58Å; D217-Y273 PolarHBondContact OD2-OH 3.05Å; D217-S288 WeakPolarHBondContact OD2-CB 3.26Å; D217-S288 PolarHBondContact OD2-OG 3.4Å
218	K	98.9	Very high	98.7	Very high	89 Å²	89	37.9 Å²	37.9	39%	0.387	18%	0.179	S	C	.	.	H	α-helix	trans	-62.1	-31.8	179	-77.7	-176.5	172.2	172.5	0	112.6	E214 H215 M221 S222	E214-K218 HydrophobicContact CG-CD 3.96Å; E214-K218 HydrophobicContact CG-CG 4.41Å; E214-K218 VanDerWaalsContact O-CB 3.27Å; E214-K218 WeakPolarHBondContact O-CB 3.09Å; E214-K218 WeakPolarHBondContact O-CG 3.48Å; E214-K218 PolarHBondContact O-N 3.42Å; E214-K218 WeakPolarHBondContact OE1-CE 3.49Å; E214-K218 IonicContact OE1-NZ 3.92Å; E214-K218 PolarHBondContact OE1-NZ 2.87Å; H215-K218 PolarHBondContact O-N 3.09Å; K218-M221 HydrophobicContact CG-SD 4.04Å; K218-M221 PolarHBondContact O-N 3.2Å; K218-S222 WeakPolarHBondContact O-CB 3.31Å; K218-S222 PolarHBondContact O-N 2.97Å; K218-S222 PolarHBondContact O-OG 3.14Å; K218-S222 VanDerWaalsContact O-OG 3.14Å
219	M	98.9	Very high	98.7	Very high	51 Å²	51	34.9 Å²	34.9	25%	0.251	17%	0.167	S	C	.	.	H	α-helix	trans	-61.2	-46.9	170.9	-174.2	-173.2	-55.2	0	0	111.6	H215 D217 S222 I223 Y235 Y239	H215-M219 VanDerWaalsContact NE2-CE 3.32Å; H215-M219 WeakPolarHBondContact NE2-CE 3.22Å; H215-M219 WeakPolarHBondContact O-CB 3.35Å; H215-M219 PolarHBondContact O-N 2.88Å; D217-M219 PolarHBondContact O-N 3.28Å; M219-S222 PolarHBondContact O-N 2.85Å; M219-I223 HydrophobicContact CG-CD1 4.43Å; M219-I223 VanDerWaalsContact O-CG1 3.31Å; M219-I223 WeakPolarHBondContact O-CG1 3.4Å; M219-I223 PolarHBondContact O-N 2.93Å; M219-Y235 HydrophobicContact CB-CE2 4.13Å; M219-Y235 HydrophobicContact CG-CD2 4.12Å; M219-Y235 HydrophobicContact CG-CE2 4.11Å; M219-Y235 HydrophobicContact SD-CD2 3.97Å; M219-Y235 HydrophobicContact SD-CE2 4.05Å; M219-Y239 HydrophobicContact CE-CE2 4.4Å; M219-Y239 HydrophobicContact SD-CD2 4.27Å; M219-Y239 HydrophobicContact SD-CE2 3.47Å; M219-Y239 WeakPolarHBondContact SD-CE2 3.4Å
220	G	98.8	Very high	98.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.6	-42.4	175	0	0	0	0	0	112.3	L216 D217 I223 I224	L216-G220 PolarHBondContact O-N 3.35Å; D217-G220 CarbonylContact O-C 3.6Å; D217-G220 WeakPolarHBondContact O-CA 3.45Å; D217-G220 PolarHBondContact O-N 3.44Å; G220-I223 PolarHBondContact O-N 3.25Å; G220-I224 WeakPolarHBondContact O-CG1 3.02Å; G220-I224 PolarHBondContact O-N 3.13Å
221	M	98.9	Very high	98.7	Very high	11 Å²	11	40.7 Å²	40.7	5%	0.054	20%	0.201	C	C	.	.	H	α-helix	trans	-58.7	-49.4	175.8	-68.2	163.6	66	0	0	111.6	F190 D217 K218 I223 I224 E225 F270 Y273 A290	F190-M221 HydrophobicContact CD1-CG 4.25Å; F190-M221 HydrophobicContact CE1-CG 3.55Å; F190-M221 HydrophobicContact CZ-CG 3.94Å; D217-M221 VanDerWaalsContact O-CG 3.29Å; D217-M221 WeakPolarHBondContact O-CG 3.18Å; D217-M221 PolarHBondContact O-N 2.94Å; K218-M221 HydrophobicContact CG-SD 4.04Å; K218-M221 PolarHBondContact O-N 3.2Å; M221-I223 VanDerWaalsContact C-N 3.27Å; M221-I223 PolarHBondContact O-N 3.38Å; M221-I224 WeakPolarHBondContact O-CA 3.4Å; M221-I224 WeakPolarHBondContact O-CB 3.39Å; M221-I224 PolarHBondContact O-N 2.85Å; M221-E225 WeakPolarHBondContact O-CG 3.32Å; M221-E225 PolarHBondContact O-N 3Å; M221-F270 VanDerWaalsContact CA-CE2 3.47Å; M221-F270 HydrophobicContact CB-CD2 3.51Å; M221-F270 HydrophobicContact CB-CE2 3.53Å; M221-F270 HydrophobicContact CB-CG 4.16Å; M221-F270 HydrophobicContact CB-CZ 4.18Å; M221-F270 HydrophobicContact CE-CB 3.4Å; M221-F270 HydrophobicContact CE-CD1 3.74Å; M221-F270 HydrophobicContact CE-CD2 3.97Å; M221-F270 HydrophobicContact CE-CG 3.42Å; M221-F270 VanDerWaalsContact CE-CG 3.42Å; M221-F270 HydrophobicContact CG-CD1 4.29Å; M221-F270 HydrophobicContact CG-CD2 3.91Å; M221-F270 HydrophobicContact CG-CE1 4.18Å; M221-F270 HydrophobicContact CG-CE2 3.8Å; M221-F270 HydrophobicContact CG-CG 4.16Å; M221-F270 HydrophobicContact CG-CZ 3.93Å; M221-F270 WeakPolarHBondContact O-CE2 3.33Å; M221-Y273 HydrophobicContact CE-CD2 4.35Å; M221-Y273 HydrophobicContact SD-CD2 3.77Å; M221-Y273 HydrophobicContact SD-CE2 4.33Å; M221-A290 HydrophobicContact CE-CB 4.04Å; M221-A290 HydrophobicContact CG-CB 4.46Å; M221-A290 HydrophobicContact SD-CB 4.05Å
222	S	98.8	Very high	98.7	Very high	55 Å²	55	35.4 Å²	35.4	39%	0.385	18%	0.181	S	C	.	.	H	α-helix	trans	-63.3	-32	178.8	-65.7	0	0	0	0	113	K218 M219 E225 Q226	K218-S222 WeakPolarHBondContact O-CB 3.31Å; K218-S222 PolarHBondContact O-N 2.97Å; K218-S222 PolarHBondContact O-OG 3.14Å; K218-S222 VanDerWaalsContact O-OG 3.14Å; M219-S222 PolarHBondContact O-N 2.85Å; S222-E225 PolarHBondContact O-N 3.22Å; S222-Q226 WeakPolarHBondContact O-CG 3.27Å; S222-Q226 PolarHBondContact O-N 3.4Å; S222-Q226 VanDerWaalsContact O-N 3.13Å
223	I	98.8	Very high	98.7	Very high	24 Å²	24	36.3 Å²	36.3	12%	0.123	19%	0.187	C	C	.	.	H	α-helix	trans	-68.6	-38.9	172.8	-67.8	166.1	0	0	0	111.2	M219 G220 M221 E225 Q226 L227 F232 Y235	M219-I223 HydrophobicContact CG-CD1 4.43Å; M219-I223 VanDerWaalsContact O-CG1 3.31Å; M219-I223 WeakPolarHBondContact O-CG1 3.4Å; M219-I223 PolarHBondContact O-N 2.93Å; G220-I223 PolarHBondContact O-N 3.25Å; M221-I223 VanDerWaalsContact C-N 3.27Å; M221-I223 PolarHBondContact O-N 3.38Å; I223-E225 VanDerWaalsContact C-N 3.32Å; I223-Q226 WeakPolarHBondContact O-CB 3.31Å; I223-Q226 PolarHBondContact O-N 3.25Å; I223-L227 PolarHBondContact O-N 3.09Å; I223-F232 HydrophobicContact CG2-CB 3.89Å; I223-F232 HydrophobicContact CG2-CD2 4.5Å; I223-F232 VanDerWaalsContact CG2-N 3.28Å; I223-Y235 HydrophobicContact CD1-CD2 4.05Å; I223-Y235 HydrophobicContact CD1-CG 3.98Å
224	I	98.9	Very high	98.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-39.8	173.7	-67.2	162.6	0	0	0	110.5	I46 F190 G220 M221 Q226 L227 F232 I249 L253 F268 F270	I46-I224 HydrophobicContact CD1-CD1 4.46Å; I46-I224 HydrophobicContact CD1-CG2 3.82Å; F190-I224 HydrophobicContact CE1-CD1 4.44Å; F190-I224 HydrophobicContact CZ-CD1 4.09Å; G220-I224 WeakPolarHBondContact O-CG1 3.02Å; G220-I224 PolarHBondContact O-N 3.13Å; M221-I224 WeakPolarHBondContact O-CA 3.4Å; M221-I224 WeakPolarHBondContact O-CB 3.39Å; M221-I224 PolarHBondContact O-N 2.85Å; I224-Q226 VanDerWaalsContact C-N 3.25Å; I224-Q226 PolarHBondContact O-N 3.11Å; I224-L227 WeakPolarHBondContact O-CA 3.42Å; I224-L227 PolarHBondContact O-N 2.85Å; I224-F232 HydrophobicContact CD1-CD2 4.26Å; I224-F232 HydrophobicContact CD1-CE2 3.77Å; I224-F232 HydrophobicContact CD1-CZ 4.23Å; I224-F232 HydrophobicContact CG1-CD2 3.83Å; I224-F232 HydrophobicContact CG1-CE2 3.88Å; I224-F232 HydrophobicContact CG1-CG 4.46Å; I224-I249 HydrophobicContact CD1-CD1 4.19Å; I224-I249 HydrophobicContact CD1-CG2 3.83Å; I224-I249 HydrophobicContact CG1-CG2 3.9Å; I224-L253 HydrophobicContact CG1-CD1 4.45Å; I224-L253 HydrophobicContact CG2-CD2 4.37Å; I224-F268 HydrophobicContact CG2-CD1 4.03Å; I224-F268 HydrophobicContact CG2-CE1 4.13Å; I224-F268 HydrophobicContact CG2-CG 4.44Å; I224-F270 HydrophobicContact CB-CE2 3.98Å; I224-F270 HydrophobicContact CB-CZ 4.41Å; I224-F270 HydrophobicContact CD1-CE2 4.32Å; I224-F270 HydrophobicContact CD1-CZ 4.03Å; I224-F270 HydrophobicContact CG2-CE2 3.93Å; I224-F270 HydrophobicContact CG2-CZ 4.15Å
225	E	98.8	Very high	98.7	Very high	61 Å²	61	39.2 Å²	39.2	29%	0.285	20%	0.203	S	C	.	.	H	α-helix	trans	-62.7	-30.3	175.5	-67.7	174.8	153.3	0	0	112.7	M221 S222 I223 L227 F268 F270	M221-E225 WeakPolarHBondContact O-CG 3.32Å; M221-E225 PolarHBondContact O-N 3Å; S222-E225 PolarHBondContact O-N 3.22Å; I223-E225 VanDerWaalsContact C-N 3.32Å; E225-L227 PolarHBondContact O-N 3.25Å; E225-F268 HydrophobicContact CG-CD1 4.17Å; E225-F270 HydrophobicContact CG-CD2 3.85Å; E225-F270 HydrophobicContact CG-CE2 4.34Å; E225-F270 PolarHBondContact OE1-N 3.5Å
226	Q	98.4	Very high	98.7	Very high	119 Å²	119	37.3 Å²	37.3	56%	0.556	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.6	171.7	-68.6	168.8	0.8	0	0	113.1	S222 I223 I224 D228 R260	S222-Q226 WeakPolarHBondContact O-CG 3.27Å; S222-Q226 PolarHBondContact O-N 3.4Å; S222-Q226 VanDerWaalsContact O-N 3.13Å; I223-Q226 WeakPolarHBondContact O-CB 3.31Å; I223-Q226 PolarHBondContact O-N 3.25Å; I224-Q226 VanDerWaalsContact C-N 3.25Å; I224-Q226 PolarHBondContact O-N 3.11Å; Q226-D228 VanDerWaalsContact C-N 3.3Å; Q226-D228 PolarHBondContact O-N 3.4Å; Q226-R260 PolarHBondContact O-NH1 3.33Å
227	L	98.4	Very high	98.6	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	42.1	179.2	-67.3	169.5	0	0	0	112	I223 I224 E225 L253 V256 R260 M266 F268 L294	I223-L227 PolarHBondContact O-N 3.09Å; I224-L227 WeakPolarHBondContact O-CA 3.42Å; I224-L227 PolarHBondContact O-N 2.85Å; E225-L227 PolarHBondContact O-N 3.25Å; L227-L253 HydrophobicContact CD2-CD2 3.99Å; L227-V256 HydrophobicContact CB-CG1 4.06Å; L227-V256 HydrophobicContact CD1-CG1 3.98Å; L227-V256 HydrophobicContact CD2-CB 4.41Å; L227-V256 HydrophobicContact CD2-CG1 4.01Å; L227-V256 HydrophobicContact CD2-CG2 4.24Å; L227-V256 HydrophobicContact CG-CG1 4.23Å; L227-R260 VanDerWaalsContact CB-NH1 3.31Å; L227-M266 HydrophobicContact CD1-CB 4.25Å; L227-M266 VanDerWaalsContact CD1-O 3.31Å; L227-M266 WeakPolarHBondContact CD1-O 3.2Å; L227-F268 HydrophobicContact CD1-CB 4.32Å; L227-F268 HydrophobicContact CD2-CB 3.81Å; L227-F268 HydrophobicContact CG-CB 4.14Å; L227-L294 HydrophobicContact CD1-CD1 4.01Å; L227-L294 HydrophobicContact CD2-CD1 3.95Å
228	D	97.4	Very high	98.6	Very high	50 Å²	50	49.7 Å²	49.7	27%	0.267	25%	0.249	S	C	.	.			trans	-116.3	106	-179.3	-179.6	-4.7	0	0	0	111.7	Q226 I230 S231 F232	Q226-D228 VanDerWaalsContact C-N 3.3Å; Q226-D228 PolarHBondContact O-N 3.4Å; D228-I230 VanDerWaalsContact C-N 3.32Å; D228-I230 PolarHBondContact O-N 3.36Å; D228-I230 WeakPolarHBondContact OD1-CB 3.42Å; D228-I230 PolarHBondContact OD1-N 2.75Å; D228-S231 PolarHBondContact OD1-N 2.91Å; D228-S231 VanDerWaalsContact OD2-CB 3.24Å; D228-S231 WeakPolarHBondContact OD2-CB 3.16Å; D228-S231 PolarHBondContact OD2-OG 3.01Å; D228-F232 PolarHBondContact O-N 2.9Å
229	P	98.3	Very high	98.6	Very high	15 Å²	15	47.3 Å²	47.3	10%	0.097	24%	0.237	C	C	.	.	H	α-helix	trans	-66.2	-30.2	179.4	25.5	-32.5	0	0	0	113.7	T233 L253 A257	P229-T233 WeakPolarHBondContact O-CB 2.96Å; P229-T233 PolarHBondContact O-N 2.86Å; P229-T233 PolarHBondContact O-OG1 2.81Å; P229-L253 HydrophobicContact CB-CB 3.8Å; P229-L253 HydrophobicContact CG-CB 4.47Å; P229-A257 HydrophobicContact CG-CB 4.24Å
230	I	98.4	Very high	98.6	Very high	117 Å²	117	54.3 Å²	54.3	60%	0.6	26%	0.261	S	S	*	.	H	α-helix	trans	-72.3	-46.8	-177.5	-61.4	174.6	0	0	0	109.1	D228 F232 T233 N234	D228-I230 VanDerWaalsContact C-N 3.32Å; D228-I230 PolarHBondContact O-N 3.36Å; D228-I230 WeakPolarHBondContact OD1-CB 3.42Å; D228-I230 PolarHBondContact OD1-N 2.75Å; I230-F232 VanDerWaalsContact C-N 3.31Å; I230-F232 PolarHBondContact O-N 2.74Å; I230-T233 WeakPolarHBondContact O-CB 3.17Å; I230-T233 PolarHBondContact O-N 3.33Å; I230-N234 VanDerWaalsContact O-CG 3.3Å; I230-N234 PolarHBondContact O-N 3.1Å; I230-N234 PolarHBondContact O-ND2 3.34Å
231	S	98.7	Very high	98.6	Very high	38 Å²	38	54.5 Å²	54.5	27%	0.266	26%	0.262	S	S	.	.	H	α-helix	trans	-61.2	-39.6	176.5	-69.9	0	0	0	0	111.8	D228 N234 Y235	D228-S231 PolarHBondContact OD1-N 2.91Å; D228-S231 VanDerWaalsContact OD2-CB 3.24Å; D228-S231 WeakPolarHBondContact OD2-CB 3.16Å; D228-S231 PolarHBondContact OD2-OG 3.01Å; S231-N234 PolarHBondContact O-N 2.79Å; S231-Y235 PolarHBondContact O-N 3.42Å
232	F	98.8	Very high	98.6	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.009	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-43.3	176.4	-173.5	-117.5	0	0	0	111.9	I223 I224 D228 I230 N234 Y235 L236 I243 R246 I249 L253	I223-F232 HydrophobicContact CG2-CB 3.89Å; I223-F232 HydrophobicContact CG2-CD2 4.5Å; I223-F232 VanDerWaalsContact CG2-N 3.28Å; I224-F232 HydrophobicContact CD1-CD2 4.26Å; I224-F232 HydrophobicContact CD1-CE2 3.77Å; I224-F232 HydrophobicContact CD1-CZ 4.23Å; I224-F232 HydrophobicContact CG1-CD2 3.83Å; I224-F232 HydrophobicContact CG1-CE2 3.88Å; I224-F232 HydrophobicContact CG1-CG 4.46Å; D228-F232 PolarHBondContact O-N 2.9Å; I230-F232 VanDerWaalsContact C-N 3.31Å; I230-F232 PolarHBondContact O-N 2.74Å; F232-N234 VanDerWaalsContact C-N 3.33Å; F232-N234 PolarHBondContact O-N 2.8Å; F232-Y235 HydrophobicContact CD2-CD1 4.3Å; F232-Y235 HydrophobicContact CE2-CD1 4.27Å; F232-Y235 WeakPolarHBondContact O-CB 3.3Å; F232-Y235 PolarHBondContact O-N 2.87Å; F232-L236 HydrophobicContact CD1-CD1 3.95Å; F232-L236 HydrophobicContact CE1-CD1 3.63Å; F232-L236 HydrophobicContact CE1-CG 4.28Å; F232-L236 HydrophobicContact CZ-CD1 4.03Å; F232-L236 HydrophobicContact CZ-CD2 4.22Å; F232-L236 HydrophobicContact CZ-CG 4.25Å; F232-L236 WeakPolarHBondContact O-CG 3.38Å; F232-L236 PolarHBondContact O-N 3.05Å; F232-I243 HydrophobicContact CE2-CD1 4.21Å; F232-I243 HydrophobicContact CZ-CD1 4.28Å; F232-R246 HydrophobicContact CE1-CB 4.35Å; F232-R246 HydrophobicContact CZ-CB 4.47Å; F232-I249 HydrophobicContact CD1-CG2 4Å; F232-I249 HydrophobicContact CE1-CB 3.97Å; F232-I249 HydrophobicContact CE1-CG2 3.5Å; F232-I249 HydrophobicContact CE2-CG2 4.43Å; F232-I249 HydrophobicContact CZ-CB 4.29Å; F232-I249 HydrophobicContact CZ-CD1 4.31Å; F232-I249 HydrophobicContact CZ-CG2 3.76Å; F232-L253 HydrophobicContact CB-CD1 3.66Å; F232-L253 HydrophobicContact CD1-CD1 3.86Å; F232-L253 HydrophobicContact CG-CD1 3.84Å
233	T	98.6	Very high	98.6	Very high	20 Å²	20	53.1 Å²	53.1	12%	0.123	25%	0.252	C	S	.	.	H	α-helix	trans	-59.3	-43.9	174.5	-60.8	0	0	0	0	111.7	E163 P229 I230 L236 K237	E163-T233 HydrophobicContact CG-CG2 4Å; P229-T233 WeakPolarHBondContact O-CB 2.96Å; P229-T233 PolarHBondContact O-N 2.86Å; P229-T233 PolarHBondContact O-OG1 2.81Å; I230-T233 WeakPolarHBondContact O-CB 3.17Å; I230-T233 PolarHBondContact O-N 3.33Å; T233-L236 PolarHBondContact O-N 3.02Å; T233-K237 HydrophobicContact CG2-CD 4.2Å; T233-K237 WeakPolarHBondContact O-CG 3.47Å; T233-K237 PolarHBondContact O-N 2.98Å
234	N	98.8	Very high	98.6	Very high	86 Å²	86	52.8 Å²	52.8	46%	0.46	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-39.9	178.1	-71.6	-24.5	0	0	0	112.1	I230 S231 F232 K237 K238	I230-N234 VanDerWaalsContact O-CG 3.3Å; I230-N234 PolarHBondContact O-N 3.1Å; I230-N234 PolarHBondContact O-ND2 3.34Å; S231-N234 PolarHBondContact O-N 2.79Å; F232-N234 VanDerWaalsContact C-N 3.33Å; F232-N234 PolarHBondContact O-N 2.8Å; N234-K237 PolarHBondContact O-N 3.01Å; N234-K238 WeakPolarHBondContact O-CB 3.32Å; N234-K238 PolarHBondContact O-N 2.73Å
235	Y	98.8	Very high	98.5	Very high	8 Å²	8	52.7 Å²	52.7	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-47.9	172.8	162.4	-92	0	0	0	111.9	L216 M219 I223 S231 F232 K237 K238 Y239 N241 I243	L216-Y235 HydrophobicContact CD1-CE2 4.01Å; L216-Y235 PolarHBondContact O-OH 3.4Å; M219-Y235 HydrophobicContact CB-CE2 4.13Å; M219-Y235 HydrophobicContact CG-CD2 4.12Å; M219-Y235 HydrophobicContact CG-CE2 4.11Å; M219-Y235 HydrophobicContact SD-CD2 3.97Å; M219-Y235 HydrophobicContact SD-CE2 4.05Å; I223-Y235 HydrophobicContact CD1-CD2 4.05Å; I223-Y235 HydrophobicContact CD1-CG 3.98Å; S231-Y235 PolarHBondContact O-N 3.42Å; F232-Y235 HydrophobicContact CD2-CD1 4.3Å; F232-Y235 HydrophobicContact CE2-CD1 4.27Å; F232-Y235 WeakPolarHBondContact O-CB 3.3Å; F232-Y235 PolarHBondContact O-N 2.87Å; Y235-K237 PolarHBondContact O-N 3.07Å; Y235-K238 PolarHBondContact O-N 2.61Å; Y235-Y239 AromaticContact CD2-CD2 3.55Å; Y235-Y239 HydrophobicContact CD2-CD2 3.55Å; Y235-Y239 HydrophobicContact CD2-CE2 4.02Å; Y235-Y239 AromaticContact CE2-CD2 3.79Å; Y235-Y239 HydrophobicContact CE2-CD2 3.79Å; Y235-Y239 HydrophobicContact CE2-CE2 4.39Å; Y235-Y239 HydrophobicContact CE2-CG 4.45Å; Y235-Y239 HydrophobicContact CG-CD2 4.37Å; Y235-Y239 PolarHBondContact O-N 3.47Å; Y235-N241 HydrophobicContact CE1-CB 4.07Å; Y235-N241 WeakPolarHBondContact OH-CB 3.47Å; Y235-N241 PolarHBondContact OH-ND2 2.65Å; Y235-I243 HydrophobicContact CE1-CD1 3.86Å
236	L	98.8	Very high	98.5	Very high	29 Å²	29	54.1 Å²	54.1	15%	0.152	25%	0.254	C	S	.	.	H	α-helix	trans	-62.1	-42.6	177.7	-67.8	171.5	0	0	0	111.9	F232 T233 K238 R240 I243 R246	F232-L236 HydrophobicContact CD1-CD1 3.95Å; F232-L236 HydrophobicContact CE1-CD1 3.63Å; F232-L236 HydrophobicContact CE1-CG 4.28Å; F232-L236 HydrophobicContact CZ-CD1 4.03Å; F232-L236 HydrophobicContact CZ-CD2 4.22Å; F232-L236 HydrophobicContact CZ-CG 4.25Å; F232-L236 WeakPolarHBondContact O-CG 3.38Å; F232-L236 PolarHBondContact O-N 3.05Å; T233-L236 PolarHBondContact O-N 3.02Å; L236-K238 VanDerWaalsContact C-N 3.32Å; L236-K238 PolarHBondContact O-N 2.87Å; L236-R240 WeakPolarHBondContact O-CA 3.44Å; L236-R240 PolarHBondContact O-N 2.74Å; L236-I243 HydrophobicContact CD2-CD1 4.27Å; L236-R246 HydrophobicContact CD1-CB 3.85Å; L236-R246 HydrophobicContact CD1-CG 4.48Å; L236-R246 HydrophobicContact CD2-CB 4.2Å
237	K	98.5	Very high	98.6	Very high	113 Å²	113	49.6 Å²	49.6	49%	0.491	23%	0.232	S	C	.	.	H	α-helix	trans	-62	-40.2	176.2	-74.6	172.9	-179.5	168.6	0	112	E163 T233 N234 Y235	E163-K237 WeakPolarHBondContact OE1-CE 3.48Å; E163-K237 IonicContact OE1-NZ 3.7Å; E163-K237 PolarHBondContact OE1-NZ 3.15Å; E163-K237 IonicContact OE2-NZ 2.72Å; E163-K237 PolarHBondContact OE2-NZ 3.1Å; T233-K237 HydrophobicContact CG2-CD 4.2Å; T233-K237 WeakPolarHBondContact O-CG 3.47Å; T233-K237 PolarHBondContact O-N 2.98Å; N234-K237 PolarHBondContact O-N 3.01Å; Y235-K237 PolarHBondContact O-N 3.07Å
238	K	98.6	Very high	98.6	Very high	150 Å²	150	49.3 Å²	49.3	65%	0.652	23%	0.231	S	C	*	.	H	α-helix	trans	-72.2	-53.5	-176.9	-176.6	174.7	178.4	-166.3	0	112.4	N234 Y235 L236	N234-K238 WeakPolarHBondContact O-CB 3.32Å; N234-K238 PolarHBondContact O-N 2.73Å; Y235-K238 PolarHBondContact O-N 2.61Å; L236-K238 VanDerWaalsContact C-N 3.32Å; L236-K238 PolarHBondContact O-N 2.87Å
239	Y	98.7	Very high	98.7	Very high	39 Å²	39	47 Å²	47	15%	0.153	22%	0.218	C	C	.	.	H	α-helix	trans	-100.8	-18	-170.7	-63	-76.2	0	0	0	113.9	Y199 Y201 L216 M219 Y235 N241	Y199-Y239 WeakPolarHBondContact CE2-O 3.4Å; Y199-Y239 PolarHBondContact OH-O 3.23Å; Y201-Y239 HydrophobicContact CE1-CD1 4.47Å; Y201-Y239 AromaticContact CE2-CD1 3.91Å; Y201-Y239 HydrophobicContact CE2-CD1 3.91Å; Y201-Y239 HydrophobicContact CE2-CE1 4.31Å; Y201-Y239 AromaticContact CZ-CD1 3.82Å; Y201-Y239 AromaticContact CZ-CE1 3.99Å; Y201-Y239 WeakPolarHBondContact OH-CE1 3.44Å; L216-Y239 HydrophobicContact CD1-CD1 3.86Å; L216-Y239 HydrophobicContact CD1-CD2 4.27Å; L216-Y239 HydrophobicContact CD1-CG 3.67Å; M219-Y239 HydrophobicContact CE-CE2 4.4Å; M219-Y239 HydrophobicContact SD-CD2 4.27Å; M219-Y239 HydrophobicContact SD-CE2 3.47Å; M219-Y239 WeakPolarHBondContact SD-CE2 3.4Å; Y235-Y239 AromaticContact CD2-CD2 3.55Å; Y235-Y239 HydrophobicContact CD2-CD2 3.55Å; Y235-Y239 HydrophobicContact CD2-CE2 4.02Å; Y235-Y239 AromaticContact CE2-CD2 3.79Å; Y235-Y239 HydrophobicContact CE2-CD2 3.79Å; Y235-Y239 HydrophobicContact CE2-CE2 4.39Å; Y235-Y239 HydrophobicContact CE2-CG 4.45Å; Y235-Y239 HydrophobicContact CG-CD2 4.37Å; Y235-Y239 PolarHBondContact O-N 3.47Å; Y239-N241 PolarHBondContact O-N 3.13Å; Y239-N241 VanDerWaalsContact O-N 3.13Å
240	R	98.4	Very high	98.7	Very high	198 Å²	198	46.3 Å²	46.3	75%	0.747	21%	0.214	S	C	*	.			trans	51.2	33.9	-175.3	-55.4	-177.9	179.7	-174	-0.8	112.6	Y199 L236 T242	Y199-R240 HydrophobicContact CE2-CB 4.4Å; Y199-R240 WeakPolarHBondContact CE2-O 3.41Å; L236-R240 WeakPolarHBondContact O-CA 3.44Å; L236-R240 PolarHBondContact O-N 2.74Å; R240-T242 PolarHBondContact O-N 2.86Å
241	N	98.8	Very high	98.7	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	19%	0.187	C	C	.	.			trans	-53.9	136.3	176.9	-169.6	8.9	0	0	0	109	C191 Y199 L216 D217 Y235 Y239 I243	C191-N241 VanDerWaalsContact CA-OD1 3.3Å; C191-N241 WeakPolarHBondContact CA-OD1 3.4Å; C191-N241 WeakPolarHBondContact CB-OD1 3.44Å; C191-N241 PolarHBondContact SG-OD1 2.95Å; C191-N241 VanDerWaalsContact SG-OD1 3.4Å; Y199-N241 WeakPolarHBondContact OH-CA 3.47Å; Y199-N241 PolarHBondContact OH-N 3.1Å; L216-N241 HydrophobicContact CD2-CB 4.01Å; L216-N241 HydrophobicContact CG-CB 4.26Å; D217-N241 PolarHBondContact OD1-ND2 2.88Å; Y235-N241 HydrophobicContact CE1-CB 4.07Å; Y235-N241 WeakPolarHBondContact OH-CB 3.47Å; Y235-N241 PolarHBondContact OH-ND2 2.65Å; Y239-N241 PolarHBondContact O-N 3.13Å; Y239-N241 VanDerWaalsContact O-N 3.13Å; N241-I243 HydrophobicContact CB-CD1 4.35Å; N241-I243 HydrophobicContact CB-CG1 4.32Å; N241-I243 PolarHBondContact O-N 3.32Å
242	T	98.6	Very high	98.7	Very high	36 Å²	36	39.2 Å²	39.2	22%	0.221	18%	0.175	C	C	.	.			trans	-80.9	34.6	-168.9	41.8	0	0	0	0	113.2	H192 Y199 R240 C244	H192-T242 WeakPolarHBondContact CA-OG1 3.43Å; H192-T242 PolarHBondContact CD2-O 2.91Å; H192-T242 VanDerWaalsContact CD2-O 3.23Å; H192-T242 PolarHBondContact N-OG1 2.95Å; H192-T242 PolarHBondContact O-OG1 2.94Å; Y199-T242 HydrophobicContact CD1-CG2 4.09Å; Y199-T242 HydrophobicContact CD2-CG2 3.88Å; Y199-T242 HydrophobicContact CG-CG2 3.6Å; R240-T242 PolarHBondContact O-N 2.86Å; T242-C244 PolarHBondContact O-N 3.11Å; T242-C244 VanDerWaalsContact O-N 3.1Å
243	I	98.8	Very high	98.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.175	C	C	.	.			trans	-59.9	112.5	175.1	-58.6	166.8	0	0	0	108.8	S188 F190 F232 Y235 L236 N241 R246 I249	S188-I243 VanDerWaalsContact OG-CG2 3.31Å; S188-I243 WeakPolarHBondContact OG-CG2 3.31Å; F190-I243 HydrophobicContact CD1-CD1 4.09Å; F190-I243 HydrophobicContact CD1-CG1 4.09Å; F190-I243 HydrophobicContact CE1-CD1 4.19Å; F190-I243 HydrophobicContact CG-CG1 4.47Å; F232-I243 HydrophobicContact CE2-CD1 4.21Å; F232-I243 HydrophobicContact CZ-CD1 4.28Å; Y235-I243 HydrophobicContact CE1-CD1 3.86Å; L236-I243 HydrophobicContact CD2-CD1 4.27Å; N241-I243 HydrophobicContact CB-CD1 4.35Å; N241-I243 HydrophobicContact CB-CG1 4.32Å; N241-I243 PolarHBondContact O-N 3.32Å; I243-R246 HydrophobicContact CB-CB 4.39Å; I243-R246 HydrophobicContact CG2-CB 4.29Å; I243-R246 WeakPolarHBondContact O-CB 3.38Å; I243-R246 WeakPolarHBondContact O-CG 3.3Å; I243-R246 PolarHBondContact O-N 3.24Å; I243-R246 PolarHBondContact O-NH1 3.31Å; I243-I249 HydrophobicContact CG2-CD1 3.94Å
244	C	98.3	Very high	98.8	Very high	17 Å²	17	39.3 Å²	39.3	12%	0.115	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-38.9	-172.1	57.7	0	0	0	0	112	H49 P79 D189 T242 R246	H49-C244 PolarHBondContact CE1-SG 3.01Å; H49-C244 PolarHBondContact NE2-SG 3.28Å; P79-C244 WeakPolarHBondContact CB-O 3.12Å; D189-C244 PolarHBondContact N-SG 3.23Å; D189-C244 PolarHBondContact O-SG 3.46Å; T242-C244 PolarHBondContact O-N 3.11Å; T242-C244 VanDerWaalsContact O-N 3.1Å; C244-R246 VanDerWaalsContact C-N 3.27Å; C244-R246 PolarHBondContact O-N 3.47Å
245	G	98.7	Very high	98.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	22	176.5	0	0	0	0	0	114.6	S187 S188 H247 P248 I249	S187-G245 WeakPolarHBondContact O-CA 3.49Å; S188-G245 WeakPolarHBondContact OG-CA 3.17Å; S188-G245 PolarHBondContact OG-N 3.03Å; G245-H247 PolarHBondContact O-N 2.91Å; G245-H247 VanDerWaalsContact O-N 3.17Å; G245-P248 VanDerWaalsContact O-CD 3.22Å; G245-P248 WeakPolarHBondContact O-CD 3.41Å; G245-I249 VanDerWaalsContact O-CG1 3.28Å; G245-I249 WeakPolarHBondContact O-CG1 3.39Å; G245-I249 PolarHBondContact O-N 2.97Å
246	R	98.8	Very high	98.7	Very high	91 Å²	91	35 Å²	35	34%	0.343	15%	0.153	S	C	.	.	H	α-helix	trans	-54.8	-34.6	179.7	66.2	-176.1	178.3	-80.2	-9.2	113.7	F232 L236 I243 C244 G250	F232-R246 HydrophobicContact CE1-CB 4.35Å; F232-R246 HydrophobicContact CZ-CB 4.47Å; L236-R246 HydrophobicContact CD1-CB 3.85Å; L236-R246 HydrophobicContact CD1-CG 4.48Å; L236-R246 HydrophobicContact CD2-CB 4.2Å; I243-R246 HydrophobicContact CB-CB 4.39Å; I243-R246 HydrophobicContact CG2-CB 4.29Å; I243-R246 WeakPolarHBondContact O-CB 3.38Å; I243-R246 WeakPolarHBondContact O-CG 3.3Å; I243-R246 PolarHBondContact O-N 3.24Å; I243-R246 PolarHBondContact O-NH1 3.31Å; C244-R246 VanDerWaalsContact C-N 3.27Å; C244-R246 PolarHBondContact O-N 3.47Å; R246-G250 PolarHBondContact O-N 3.28Å
247	H	98.9	Very high	98.7	Very high	23 Å²	23	35 Å²	35	11%	0.106	16%	0.157	C	C	.	.	H	α-helix	trans	-75.4	-48.2	179	-60.7	-59.1	0	0	0	112.3	V158 G159 L161 E166 G245 I249 G250 V251	V158-H247 HydrophobicContact CG1-CB 3.91Å; G159-H247 PolarHBondContact O-CD2 3.37Å; L161-H247 HydrophobicContact CB-CB 4.39Å; L161-H247 HydrophobicContact CG-CB 4.32Å; L161-H247 PolarHBondContact O-CE1 2.79Å; L161-H247 VanDerWaalsContact O-CE1 3.29Å; L161-H247 PolarHBondContact O-ND1 2.95Å; E166-H247 IonicContact OE1-CE1 2.64Å; E166-H247 IonicContact OE1-CG 2.64Å; E166-H247 IonicContact OE1-ND1 3.62Å; E166-H247 PolarHBondContact OE1-ND1 3.4Å; G245-H247 PolarHBondContact O-N 2.91Å; G245-H247 VanDerWaalsContact O-N 3.17Å; H247-I249 VanDerWaalsContact C-N 3.28Å; H247-I249 PolarHBondContact O-N 2.95Å; H247-G250 PolarHBondContact O-N 3.18Å; H247-V251 WeakPolarHBondContact O-CG2 3.24Å; H247-V251 PolarHBondContact O-N 2.83Å
248	P	98.9	Very high	98.7	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-50.5	-43.7	165.6	-29.1	30.8	0	0	0	114.3	L77 P79 V158 I186 G245 V251 L252	L77-P248 HydrophobicContact CB-CB 4.22Å; P79-P248 HydrophobicContact CB-CG 4.44Å; V158-P248 HydrophobicContact CB-CG 3.85Å; V158-P248 HydrophobicContact CG1-CG 4.11Å; V158-P248 HydrophobicContact CG2-CG 4.03Å; I186-P248 HydrophobicContact CG2-CB 3.64Å; G245-P248 VanDerWaalsContact O-CD 3.22Å; G245-P248 WeakPolarHBondContact O-CD 3.41Å; P248-V251 PolarHBondContact O-N 3.36Å; P248-L252 PolarHBondContact O-N 2.96Å
249	I	98.9	Very high	98.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.2	-45.9	176.6	-67.4	166.2	0	0	0	110.6	I46 I186 I224 F232 I243 G245 H247 V251 L252 L253	I46-I249 HydrophobicContact CD1-CD1 4.47Å; I46-I249 HydrophobicContact CD1-CG1 4.11Å; I186-I249 HydrophobicContact CG2-CG1 3.76Å; I224-I249 HydrophobicContact CD1-CD1 4.19Å; I224-I249 HydrophobicContact CD1-CG2 3.83Å; I224-I249 HydrophobicContact CG1-CG2 3.9Å; F232-I249 HydrophobicContact CD1-CG2 4Å; F232-I249 HydrophobicContact CE1-CB 3.97Å; F232-I249 HydrophobicContact CE1-CG2 3.5Å; F232-I249 HydrophobicContact CE2-CG2 4.43Å; F232-I249 HydrophobicContact CZ-CB 4.29Å; F232-I249 HydrophobicContact CZ-CD1 4.31Å; F232-I249 HydrophobicContact CZ-CG2 3.76Å; I243-I249 HydrophobicContact CG2-CD1 3.94Å; G245-I249 VanDerWaalsContact O-CG1 3.28Å; G245-I249 WeakPolarHBondContact O-CG1 3.39Å; G245-I249 PolarHBondContact O-N 2.97Å; H247-I249 VanDerWaalsContact C-N 3.28Å; H247-I249 PolarHBondContact O-N 2.95Å; I249-V251 VanDerWaalsContact C-N 3.3Å; I249-V251 PolarHBondContact O-N 3.1Å; I249-L252 PolarHBondContact O-N 3.19Å; I249-L252 VanDerWaalsContact O-N 3.15Å; I249-L253 HydrophobicContact CG2-CD1 3.92Å; I249-L253 HydrophobicContact CG2-CG 4.24Å; I249-L253 WeakPolarHBondContact O-CG 3.39Å; I249-L253 PolarHBondContact O-N 2.59Å
250	G	98.9	Very high	98.6	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-57	-42	175.1	0	0	0	0	0	112.6	R246 H247 L253 N254	R246-G250 PolarHBondContact O-N 3.28Å; H247-G250 PolarHBondContact O-N 3.18Å; G250-L253 PolarHBondContact O-N 3.43Å; G250-N254 WeakPolarHBondContact O-CB 3.31Å; G250-N254 PolarHBondContact O-N 3.36Å; G250-N254 PolarHBondContact O-ND2 3.17Å
251	V	98.9	Very high	98.4	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.018	12%	0.123	C	C	.	.	H	α-helix	trans	-61.5	-46.2	174.4	171.8	0	0	0	0	111.5	L77 L161 G170 L173 H247 P248 I249 N254 A255	L77-V251 HydrophobicContact CD2-CG1 3.98Å; L161-V251 HydrophobicContact CD1-CG2 3.58Å; G170-V251 WeakPolarHBondContact CA-O 3.44Å; L173-V251 HydrophobicContact CD1-CG1 3.83Å; H247-V251 WeakPolarHBondContact O-CG2 3.24Å; H247-V251 PolarHBondContact O-N 2.83Å; P248-V251 PolarHBondContact O-N 3.36Å; I249-V251 VanDerWaalsContact C-N 3.3Å; I249-V251 PolarHBondContact O-N 3.1Å; V251-N254 PolarHBondContact O-N 3.26Å; V251-A255 WeakPolarHBondContact O-CB 3.32Å; V251-A255 PolarHBondContact O-N 2.82Å
252	L	98.9	Very high	98	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-59.6	-50.1	176.3	174.8	66.2	0	0	0	111.5	A44 L177 I186 P248 I249 N254 A255 V256 F268 L294	A44-L252 HydrophobicContact CB-CD1 3.87Å; A44-L252 HydrophobicContact CB-CD2 4.3Å; L177-L252 HydrophobicContact CD1-CD1 4.32Å; L177-L252 HydrophobicContact CD2-CD1 4.15Å; I186-L252 HydrophobicContact CD1-CB 4.09Å; I186-L252 HydrophobicContact CG1-CB 3.98Å; I186-L252 HydrophobicContact CG1-CD2 3.75Å; I186-L252 HydrophobicContact CG1-CG 4.27Å; P248-L252 PolarHBondContact O-N 2.96Å; I249-L252 PolarHBondContact O-N 3.19Å; I249-L252 VanDerWaalsContact O-N 3.15Å; L252-N254 VanDerWaalsContact C-N 3.29Å; L252-N254 PolarHBondContact O-N 2.97Å; L252-A255 WeakPolarHBondContact O-CB 3.45Å; L252-A255 PolarHBondContact O-N 3.34Å; L252-A255 VanDerWaalsContact O-N 3.1Å; L252-V256 HydrophobicContact CD1-CG2 4.25Å; L252-V256 WeakPolarHBondContact O-CG2 3.45Å; L252-V256 PolarHBondContact O-N 3.5Å; L252-F268 HydrophobicContact CD2-CE2 4.48Å; L252-L294 HydrophobicContact CD1-CD2 4.39Å
253	L	98.9	Very high	97.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61	-39.3	-178.1	-68.9	175.4	0	0	0	111.6	I224 L227 P229 F232 I249 G250 V256 A257	I224-L253 HydrophobicContact CG1-CD1 4.45Å; I224-L253 HydrophobicContact CG2-CD2 4.37Å; L227-L253 HydrophobicContact CD2-CD2 3.99Å; P229-L253 HydrophobicContact CB-CB 3.8Å; P229-L253 HydrophobicContact CG-CB 4.47Å; F232-L253 HydrophobicContact CB-CD1 3.66Å; F232-L253 HydrophobicContact CD1-CD1 3.86Å; F232-L253 HydrophobicContact CG-CD1 3.84Å; I249-L253 HydrophobicContact CG2-CD1 3.92Å; I249-L253 HydrophobicContact CG2-CG 4.24Å; I249-L253 WeakPolarHBondContact O-CG 3.39Å; I249-L253 PolarHBondContact O-N 2.59Å; G250-L253 PolarHBondContact O-N 3.43Å; L253-V256 PolarHBondContact O-N 3.23Å; L253-A257 WeakPolarHBondContact O-CB 3.43Å; L253-A257 PolarHBondContact O-N 3.04Å
254	N	98.9	Very high	97.4	Very high	24 Å²	24	34 Å²	34	13%	0.128	19%	0.185	C	C	.	.	H	α-helix	trans	-69.9	-35.3	174.7	-78.3	-72.4	0	0	0	112.8	Q167 G250 V251 L252 A257 E258	Q167-N254 VanDerWaalsContact CG-OD1 3.28Å; Q167-N254 WeakPolarHBondContact CG-OD1 3.37Å; G250-N254 WeakPolarHBondContact O-CB 3.31Å; G250-N254 PolarHBondContact O-N 3.36Å; G250-N254 PolarHBondContact O-ND2 3.17Å; V251-N254 PolarHBondContact O-N 3.26Å; L252-N254 VanDerWaalsContact C-N 3.29Å; L252-N254 PolarHBondContact O-N 2.97Å; N254-A257 PolarHBondContact O-N 3.05Å; N254-E258 PolarHBondContact O-N 3.29Å
255	A	98.8	Very high	97.3	Very high	3 Å²	3	39.8 Å²	39.8	3%	0.025	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-43.4	173.1	0	0	0	0	0	111.6	G170 L177 V251 L252 E258 L259	G170-A255 VanDerWaalsContact O-CA 3.29Å; G170-A255 WeakPolarHBondContact O-CA 3.39Å; G170-A255 VanDerWaalsContact O-CB 3.29Å; G170-A255 WeakPolarHBondContact O-CB 3.36Å; L177-A255 HydrophobicContact CD2-CB 3.82Å; V251-A255 WeakPolarHBondContact O-CB 3.32Å; V251-A255 PolarHBondContact O-N 2.82Å; L252-A255 WeakPolarHBondContact O-CB 3.45Å; L252-A255 PolarHBondContact O-N 3.34Å; L252-A255 VanDerWaalsContact O-N 3.1Å; A255-E258 PolarHBondContact O-N 2.97Å; A255-L259 WeakPolarHBondContact O-CG 3.38Å; A255-L259 PolarHBondContact O-N 3.42Å; A255-L259 VanDerWaalsContact O-N 3.11Å
256	V	98.6	Very high	97.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-45.5	174.8	173	0	0	0	0	111.1	L177 L227 L252 L253 E258 L259 R260 M266 L294	L177-V256 HydrophobicContact CD2-CG2 3.93Å; L227-V256 HydrophobicContact CB-CG1 4.06Å; L227-V256 HydrophobicContact CD1-CG1 3.98Å; L227-V256 HydrophobicContact CD2-CB 4.41Å; L227-V256 HydrophobicContact CD2-CG1 4.01Å; L227-V256 HydrophobicContact CD2-CG2 4.24Å; L227-V256 HydrophobicContact CG-CG1 4.23Å; L252-V256 HydrophobicContact CD1-CG2 4.25Å; L252-V256 WeakPolarHBondContact O-CG2 3.45Å; L252-V256 PolarHBondContact O-N 3.5Å; L253-V256 PolarHBondContact O-N 3.23Å; V256-E258 PolarHBondContact O-N 2.71Å; V256-L259 PolarHBondContact O-N 2.85Å; V256-L259 VanDerWaalsContact O-N 3.15Å; V256-R260 HydrophobicContact CG1-CG 4.31Å; V256-R260 WeakPolarHBondContact O-CG 3.32Å; V256-R260 PolarHBondContact O-N 2.89Å; V256-M266 HydrophobicContact CB-SD 4.35Å; V256-M266 HydrophobicContact CG1-CB 4.37Å; V256-M266 HydrophobicContact CG1-SD 3.94Å; V256-M266 HydrophobicContact CG2-SD 3.99Å; V256-L294 HydrophobicContact CG2-CD1 4.31Å; V256-L294 HydrophobicContact CG2-CD2 3.9Å
257	A	98.3	Very high	97.2	Very high	29 Å²	29	39.4 Å²	39.4	24%	0.24	22%	0.215	C	C	.	.	H	α-helix	trans	-59.8	-35.5	177.1	0	0	0	0	0	112.2	P229 L253 N254 K261	P229-A257 HydrophobicContact CG-CB 4.24Å; L253-A257 WeakPolarHBondContact O-CB 3.43Å; L253-A257 PolarHBondContact O-N 3.04Å; N254-A257 PolarHBondContact O-N 3.05Å; A257-K261 WeakPolarHBondContact O-CG 3.36Å
258	E	98.2	Very high	97.2	Very high	50 Å²	50	38.4 Å²	38.4	23%	0.234	21%	0.21	C	C	.	.	H	α-helix	trans	-66.5	-45.8	173.8	-170.6	65.8	-171.1	0	0	111.9	R171 N254 A255 V256 R260 K261	R171-E258 HydrophobicContact CG-CG 4.22Å; N254-E258 PolarHBondContact O-N 3.29Å; A255-E258 PolarHBondContact O-N 2.97Å; V256-E258 PolarHBondContact O-N 2.71Å; E258-R260 PolarHBondContact O-N 2.86Å; E258-K261 WeakPolarHBondContact O-CB 3.43Å; E258-K261 PolarHBondContact O-N 3.46Å; E258-K261 IonicContact OE2-NZ 3.85Å; E258-K261 PolarHBondContact OE2-NZ 2.91Å
259	L	97.9	Very high	97.2	Very high	12 Å²	12	40 Å²	40	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-69.8	-32.1	-179.2	-66.2	179.3	0	0	0	113.5	L177 A178 A255 V256 K261 S262 G263 L264 M266	L177-L259 HydrophobicContact CB-CD1 4Å; L177-L259 HydrophobicContact CD2-CD1 3.93Å; L177-L259 HydrophobicContact CG-CD1 3.99Å; A178-L259 HydrophobicContact CB-CD1 4.09Å; A178-L259 HydrophobicContact CB-CD2 3.89Å; A255-L259 WeakPolarHBondContact O-CG 3.38Å; A255-L259 PolarHBondContact O-N 3.42Å; A255-L259 VanDerWaalsContact O-N 3.11Å; V256-L259 PolarHBondContact O-N 2.85Å; V256-L259 VanDerWaalsContact O-N 3.15Å; L259-K261 PolarHBondContact O-N 3.36Å; L259-S262 CarbonylContact O-C 3.3Å; L259-S262 WeakPolarHBondContact O-CA 3.37Å; L259-S262 WeakPolarHBondContact O-CB 3.27Å; L259-S262 PolarHBondContact O-N 2.92Å; L259-G263 PolarHBondContact O-N 3.01Å; L259-L264 HydrophobicContact CB-CB 4.33Å; L259-L264 HydrophobicContact CB-CD2 4.44Å; L259-L264 HydrophobicContact CD1-CD2 4.45Å; L259-L264 PolarHBondContact O-N 3.33Å; L259-M266 HydrophobicContact CB-CE 3.86Å; L259-M266 HydrophobicContact CD1-CE 3.32Å; L259-M266 HydrophobicContact CD1-SD 4.43Å; L259-M266 HydrophobicContact CG-CE 4.23Å
260	R	96.4	Very high	97.2	Very high	101 Å²	101	41.2 Å²	41.2	38%	0.381	23%	0.227	S	C	.	.	H	α-helix	trans	-62.2	-29.2	173.7	-79	178.9	166.6	-172.6	-8.2	112.5	Q226 L227 V256 E258 S262 G263 M266	Q226-R260 PolarHBondContact O-NH1 3.33Å; L227-R260 VanDerWaalsContact CB-NH1 3.31Å; V256-R260 HydrophobicContact CG1-CG 4.31Å; V256-R260 WeakPolarHBondContact O-CG 3.32Å; V256-R260 PolarHBondContact O-N 2.89Å; E258-R260 PolarHBondContact O-N 2.86Å; R260-S262 PolarHBondContact O-N 3.44Å; R260-G263 PolarHBondContact O-N 2.84Å; R260-M266 PolarHBondContact NH2-O 3.29Å
261	K	95.1	Very high	97.2	Very high	150 Å²	150	43.4 Å²	43.4	65%	0.652	24%	0.238	S	C	*	.	H	α-helix	trans	-64	-27	172.4	-61.8	167.5	-168.4	169.3	0	112.2	A257 E258 L259 G263	A257-K261 WeakPolarHBondContact O-CG 3.36Å; E258-K261 WeakPolarHBondContact O-CB 3.43Å; E258-K261 PolarHBondContact O-N 3.46Å; E258-K261 IonicContact OE2-NZ 3.85Å; E258-K261 PolarHBondContact OE2-NZ 2.91Å; L259-K261 PolarHBondContact O-N 3.36Å; K261-G263 VanDerWaalsContact C-N 3.3Å
262	S	90.9	Very high	97.2	Very high	93 Å²	93	45.6 Å²	45.6	65%	0.65	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	4.6	175.1	-54.3	0	0	0	0	113.2	L259 R260	L259-S262 CarbonylContact O-C 3.3Å; L259-S262 WeakPolarHBondContact O-CA 3.37Å; L259-S262 WeakPolarHBondContact O-CB 3.27Å; L259-S262 PolarHBondContact O-N 2.92Å; R260-S262 PolarHBondContact O-N 3.44Å
263	G	91.9	Very high	97.2	Very high	60 Å²	60	47.3 Å²	47.3	62%	0.619	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	8.9	176.8	0	0	0	0	0	115.4	L259 R260 K261 E265	L259-G263 PolarHBondContact O-N 3.01Å; R260-G263 PolarHBondContact O-N 2.84Å; K261-G263 VanDerWaalsContact C-N 3.3Å; G263-E265 PolarHBondContact O-N 3.49Å
264	L	93.2	Very high	97.1	Very high	52 Å²	52	48.8 Å²	48.8	27%	0.272	27%	0.268	S	S	.	.			trans	-72.6	120.4	174.4	-85.8	71.6	0	0	0	109.9	A178 L259 M266 V296	A178-L264 HydrophobicContact CB-CD2 4.37Å; L259-L264 HydrophobicContact CB-CB 4.33Å; L259-L264 HydrophobicContact CB-CD2 4.44Å; L259-L264 HydrophobicContact CD1-CD2 4.45Å; L259-L264 PolarHBondContact O-N 3.33Å; L264-M266 HydrophobicContact CB-CE 4.07Å; L264-M266 HydrophobicContact CD2-CE 3.89Å; L264-V296 HydrophobicContact CD2-CG1 4.15Å
265	E	95.3	Very high	97.1	Very high	139 Å²	139	49.4 Å²	49.4	65%	0.65	27%	0.27	S	S	*	.			trans	-81.4	132	173.9	-69.3	-169.1	173.4	0	0	110.3	G263 H297	G263-E265 PolarHBondContact O-N 3.49Å; E265-H297 HydrophobicContact CB-CB 4.13Å; E265-H297 PolarHBondContact O-N 3.06Å
266	M	97.4	Very high	97.1	Very high	9 Å²	9	51.4 Å²	51.4	4%	0.044	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	140.9	-177.4	-55.5	-170.9	168.5	0	0	109.9	L227 V256 L259 R260 L264 L294 I295 V296	L227-M266 HydrophobicContact CD1-CB 4.25Å; L227-M266 VanDerWaalsContact CD1-O 3.31Å; L227-M266 WeakPolarHBondContact CD1-O 3.2Å; V256-M266 HydrophobicContact CB-SD 4.35Å; V256-M266 HydrophobicContact CG1-CB 4.37Å; V256-M266 HydrophobicContact CG1-SD 3.94Å; V256-M266 HydrophobicContact CG2-SD 3.99Å; L259-M266 HydrophobicContact CB-CE 3.86Å; L259-M266 HydrophobicContact CD1-CE 3.32Å; L259-M266 HydrophobicContact CD1-SD 4.43Å; L259-M266 HydrophobicContact CG-CE 4.23Å; R260-M266 PolarHBondContact NH2-O 3.29Å; L264-M266 HydrophobicContact CB-CE 4.07Å; L264-M266 HydrophobicContact CD2-CE 3.89Å; M266-L294 HydrophobicContact CB-CD1 4.14Å; M266-L294 HydrophobicContact SD-CD2 4.22Å; M266-I295 VanDerWaalsContact CA-O 3.3Å; M266-I295 WeakPolarHBondContact CA-O 3.14Å; M266-V296 HydrophobicContact CE-CB 4.29Å; M266-V296 HydrophobicContact CE-CG1 3.87Å; M266-V296 HydrophobicContact CE-CG2 3.45Å; M266-V296 VanDerWaalsContact CE-CG2 3.45Å; M266-V296 HydrophobicContact CG-CB 4.42Å; M266-V296 HydrophobicContact CG-CG1 4.26Å; M266-V296 HydrophobicContact CG-CG2 3.97Å; M266-V296 HydrophobicContact SD-CG2 3.98Å
267	N	98.1	Very high	97.1	Very high	75 Å²	75	53.9 Å²	53.9	40%	0.401	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.6	174.8	-172	24	0	0	0	110.5	L294 I295	N267-L294 WeakPolarHBondContact O-CA 3.32Å; N267-I295 HydrophobicContact CB-CG2 4.28Å; N267-I295 PolarHBondContact N-O 3.14Å; N267-I295 VanDerWaalsContact N-O 3.11Å; N267-I295 PolarHBondContact O-N 3.14Å
268	F	98.7	Very high	97.1	Very high	1 Å²	1	57.4 Å²	57.4	0%	0.004	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139.3	173.9	-169	-79.3	0	0	0	109.3	I46 I224 E225 L227 L252 F270 A293 L294	I46-F268 HydrophobicContact CB-CZ 3.93Å; I46-F268 HydrophobicContact CD1-CE1 4.16Å; I46-F268 HydrophobicContact CD1-CE2 3.97Å; I46-F268 HydrophobicContact CD1-CZ 3.52Å; I46-F268 HydrophobicContact CG1-CE2 3.96Å; I46-F268 HydrophobicContact CG1-CZ 3.66Å; I224-F268 HydrophobicContact CG2-CD1 4.03Å; I224-F268 HydrophobicContact CG2-CE1 4.13Å; I224-F268 HydrophobicContact CG2-CG 4.44Å; E225-F268 HydrophobicContact CG-CD1 4.17Å; L227-F268 HydrophobicContact CD1-CB 4.32Å; L227-F268 HydrophobicContact CD2-CB 3.81Å; L227-F268 HydrophobicContact CG-CB 4.14Å; L252-F268 HydrophobicContact CD2-CE2 4.48Å; F268-F270 HydrophobicContact CD1-CD2 4.22Å; F268-F270 HydrophobicContact CD1-CE2 4.09Å; F268-F270 HydrophobicContact CE1-CD1 4.25Å; F268-F270 AromaticContact CE1-CD2 3.76Å; F268-F270 HydrophobicContact CE1-CD2 3.76Å; F268-F270 HydrophobicContact CE1-CE1 4.07Å; F268-F270 AromaticContact CE1-CE2 3.54Å; F268-F270 HydrophobicContact CE1-CE2 3.54Å; F268-F270 HydrophobicContact CE1-CG 4.12Å; F268-F270 AromaticContact CE1-CZ 3.71Å; F268-F270 HydrophobicContact CE1-CZ 3.71Å; F268-F270 HydrophobicContact CZ-CE1 4.48Å; F268-F270 HydrophobicContact CZ-CZ 4.31Å; F268-A293 WeakPolarHBondContact CA-O 3.29Å; F268-L294 HydrophobicContact CB-CD1 3.91Å; F268-L294 HydrophobicContact CD2-CB 3.76Å; F268-L294 HydrophobicContact CD2-CD1 4.07Å; F268-L294 HydrophobicContact CE2-CB 4.34Å
269	S	98.7	Very high	97.2	Very high	33 Å²	33	55 Å²	55	23%	0.231	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	135.6	173.8	-52	0	0	0	0	110.9	G292 A293	S269-G292 CarbonylContact O-C 3.59Å; S269-G292 WeakPolarHBondContact O-CA 3.38Å; S269-A293 PolarHBondContact N-O 2.62Å; S269-A293 PolarHBondContact O-N 2.85Å
270	F	98.8	Very high	97.2	Very high	26 Å²	26	60.5 Å²	60.5	11%	0.114	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	138.1	167	-74	-85.5	0	0	0	110.4	I46 F190 M221 I224 E225 F268 A290 A291	I46-F270 HydrophobicContact CB-CE1 4.35Å; I46-F270 HydrophobicContact CD1-CE1 4.47Å; I46-F270 HydrophobicContact CD1-CZ 3.99Å; I46-F270 HydrophobicContact CG2-CE1 4.27Å; F190-F270 HydrophobicContact CE2-CE1 4.19Å; F190-F270 HydrophobicContact CE2-CZ 4.44Å; F190-F270 AromaticContact CZ-CE1 3.92Å; F190-F270 HydrophobicContact CZ-CE1 3.92Å; F190-F270 AromaticContact CZ-CZ 3.77Å; F190-F270 HydrophobicContact CZ-CZ 3.77Å; M221-F270 VanDerWaalsContact CA-CE2 3.47Å; M221-F270 HydrophobicContact CB-CD2 3.51Å; M221-F270 HydrophobicContact CB-CE2 3.53Å; M221-F270 HydrophobicContact CB-CG 4.16Å; M221-F270 HydrophobicContact CB-CZ 4.18Å; M221-F270 HydrophobicContact CE-CB 3.4Å; M221-F270 HydrophobicContact CE-CD1 3.74Å; M221-F270 HydrophobicContact CE-CD2 3.97Å; M221-F270 HydrophobicContact CE-CG 3.42Å; M221-F270 VanDerWaalsContact CE-CG 3.42Å; M221-F270 HydrophobicContact CG-CD1 4.29Å; M221-F270 HydrophobicContact CG-CD2 3.91Å; M221-F270 HydrophobicContact CG-CE1 4.18Å; M221-F270 HydrophobicContact CG-CE2 3.8Å; M221-F270 HydrophobicContact CG-CG 4.16Å; M221-F270 HydrophobicContact CG-CZ 3.93Å; M221-F270 WeakPolarHBondContact O-CE2 3.33Å; I224-F270 HydrophobicContact CB-CE2 3.98Å; I224-F270 HydrophobicContact CB-CZ 4.41Å; I224-F270 HydrophobicContact CD1-CE2 4.32Å; I224-F270 HydrophobicContact CD1-CZ 4.03Å; I224-F270 HydrophobicContact CG2-CE2 3.93Å; I224-F270 HydrophobicContact CG2-CZ 4.15Å; E225-F270 HydrophobicContact CG-CD2 3.85Å; E225-F270 HydrophobicContact CG-CE2 4.34Å; E225-F270 PolarHBondContact OE1-N 3.5Å; F268-F270 HydrophobicContact CD1-CD2 4.22Å; F268-F270 HydrophobicContact CD1-CE2 4.09Å; F268-F270 HydrophobicContact CE1-CD1 4.25Å; F268-F270 AromaticContact CE1-CD2 3.76Å; F268-F270 HydrophobicContact CE1-CD2 3.76Å; F268-F270 HydrophobicContact CE1-CE1 4.07Å; F268-F270 AromaticContact CE1-CE2 3.54Å; F268-F270 HydrophobicContact CE1-CE2 3.54Å; F268-F270 HydrophobicContact CE1-CG 4.12Å; F268-F270 AromaticContact CE1-CZ 3.71Å; F268-F270 HydrophobicContact CE1-CZ 3.71Å; F268-F270 HydrophobicContact CZ-CE1 4.48Å; F268-F270 HydrophobicContact CZ-CZ 4.31Å; F270-A290 HydrophobicContact CD1-CB 3.71Å; F270-A290 HydrophobicContact CE1-CB 3.71Å; F270-A291 CarbonylContact C-O 3.59Å
271	L	98.6	Very high	97.3	Very high	48 Å²	48	60.6 Å²	60.6	25%	0.251	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-21.7	-171	-63.4	171.1	0	0	0	112.4	I39 H61 Q65 A291 A293	I39-L271 HydrophobicContact CD1-CD1 4.42Å; I39-L271 HydrophobicContact CD1-CD2 3.76Å; I39-L271 HydrophobicContact CD1-CG 4.36Å; I39-L271 HydrophobicContact CG1-CD2 4.28Å; H61-L271 HydrophobicContact CB-CB 4.1Å; H61-L271 VanDerWaalsContact O-CD1 3.31Å; H61-L271 WeakPolarHBondContact O-CD1 3.29Å; Q65-L271 HydrophobicContact CG-CD1 3.37Å; L271-A291 PolarHBondContact N-O 2.72Å; L271-A293 HydrophobicContact CD1-CB 4.19Å
272	N	98.8	Very high	97.4	Very high	48 Å²	48	59.3 Å²	59.3	26%	0.257	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	150.8	176.3	-168.2	70.2	0	0	0	111.2	C58 H61 A290 A291	C58-N272 PolarHBondContact SG-ND2 2.95Å; H61-N272 HydrophobicContact CB-CB 3.83Å; N272-A290 WeakPolarHBondContact O-CA 3.48Å; N272-A291 HydrophobicContact CB-CB 4.46Å; N272-A291 PolarHBondContact N-O 3.31Å; N272-A291 PolarHBondContact O-N 3.49Å
273	Y	98.8	Very high	97.7	Very high	40 Å²	40	61.7 Å²	61.7	16%	0.157	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	138.2	170.6	178.4	-99.6	0	0	0	109.4	E214 D217 M221 Q275 S288 Y289 A290	E214-Y273 WeakPolarHBondContact CA-OH 3.4Å; E214-Y273 HydrophobicContact CB-CE1 3.96Å; E214-Y273 HydrophobicContact CG-CD1 4.19Å; E214-Y273 HydrophobicContact CG-CE1 3.73Å; D217-Y273 HydrophobicContact CB-CE2 3.58Å; D217-Y273 PolarHBondContact OD2-OH 3.05Å; M221-Y273 HydrophobicContact CE-CD2 4.35Å; M221-Y273 HydrophobicContact SD-CD2 3.77Å; M221-Y273 HydrophobicContact SD-CE2 4.33Å; Y273-Q275 HydrophobicContact CE1-CG 3.8Å; Y273-Q275 PolarHBondContact OH-NE2 3.38Å; Y273-S288 PolarHBondContact OH-OG 2.59Å; Y273-S288 VanDerWaalsContact OH-OG 3.07Å; Y273-Y289 CarbonylContact C-O 3.51Å; Y273-Y289 WeakPolarHBondContact CA-O 3.42Å; Y273-A290 HydrophobicContact CD2-CB 4.39Å
274	A	98.7	Very high	98.1	Very high	31 Å²	31	61.5 Å²	61.5	26%	0.256	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	161.2	176.8	0	0	0	0	0	110.8	C58 S288 Y289	C58-A274 HydrophobicContact CB-CB 4.49Å; A274-S288 CarbonylContact O-C 3.56Å; A274-S288 WeakPolarHBondContact O-CA 3.47Å; A274-Y289 HydrophobicContact CB-CD2 4.26Å; A274-Y289 PolarHBondContact N-O 2.81Å; A274-Y289 PolarHBondContact O-N 2.86Å
275	Q	98.8	Very high	98.3	Very high	38 Å²	38	60.6 Å²	60.6	18%	0.178	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	142.1	172	-67.1	172.7	-30.6	0	0	108	Y210 Y273 S277	Y210-Q275 PolarHBondContact O-NE2 2.92Å; Y273-Q275 HydrophobicContact CE1-CG 3.8Å; Y273-Q275 PolarHBondContact OH-NE2 3.38Å; Q275-S277 PolarHBondContact O-N 2.85Å; Q275-S277 VanDerWaalsContact O-N 3.17Å
276	S	98.4	Very high	98.5	Very high	44 Å²	44	54 Å²	54	31%	0.308	27%	0.274	S	S	.	.	S	Bend	trans	-57.8	-29.7	177.6	67	0	0	0	0	113	S286 V287 Y289	S276-S286 VanDerWaalsContact OG-CA 3.29Å; S276-S286 WeakPolarHBondContact OG-CA 3.45Å; S276-V287 PolarHBondContact N-O 3.18Å; S276-V287 PolarHBondContact OG-N 3.13Å; S276-Y289 WeakPolarHBondContact CB-OH 3.4Å
277	S	98.4	Very high	98.5	Very high	52 Å²	52	54.1 Å²	54.1	36%	0.364	28%	0.275	S	S	.	.	S	Bend	trans	-164.7	157.3	-178.3	46.3	0	0	0	0	108.9	Q275 S285 S286	Q275-S277 PolarHBondContact O-N 2.85Å; Q275-S277 VanDerWaalsContact O-N 3.17Å; S277-S285 PolarHBondContact OG-O 2.69Å; S277-S286 VanDerWaalsContact O-CB 3.32Å; S277-S286 WeakPolarHBondContact O-CB 3.41Å; S277-S286 WeakPolarHBondContact OG-CB 3.47Å
278	Q	98.8	Very high	98.6	Very high	103 Å²	103	50.6 Å²	50.6	48%	0.481	26%	0.256	S	S	.	.			trans	-91.7	104.9	174.2	-69.7	-178.6	-14	0	0	110.2	Y210	Y210-Q278 HydrophobicContact CD1-CB 4.14Å; Y210-Q278 HydrophobicContact CD1-CG 4.49Å; Y210-Q278 HydrophobicContact CD2-CB 4.44Å; Y210-Q278 HydrophobicContact CD2-CG 4Å; Y210-Q278 HydrophobicContact CE2-CG 4.45Å; Y210-Q278 HydrophobicContact CG-CB 3.96Å; Y210-Q278 HydrophobicContact CG-CG 4.03Å
279	C	98.7	Very high	98.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.257	C	S	.	.			trans	-67.9	131.3	173	-64.6	0	0	0	0	111.1	W193 I209 Y210 I213 D284 S286	W193-C279 HydrophobicContact CE3-CB 3.99Å; W193-C279 HydrophobicContact CZ3-CB 4.03Å; I209-C279 HydrophobicContact CB-CB 4.26Å; I209-C279 WeakPolarHBondContact CB-O 3.47Å; I209-C279 HydrophobicContact CG2-CB 3.73Å; Y210-C279 WeakPolarHBondContact CB-O 3.31Å; Y210-C279 PolarHBondContact N-O 2.76Å; I213-C279 HydrophobicContact CD1-CB 4.19Å; C279-D284 HydrophobicContact CB-CB 3.83Å; C279-S286 VanDerWaalsContact SG-CB 3.56Å; C279-S286 PolarHBondContact SG-OG 3.14Å
280	R	98.4	Very high	98.6	Very high	127 Å²	127	49.3 Å²	49.3	48%	0.479	25%	0.246	S	C	.	.			trans	-124.3	-27.6	177.4	-61.2	-175.3	173.8	-105.3	-9.9	112.2	E208 D284	E208-R280 IonicContact OE1-CZ 3.4Å; E208-R280 IonicContact OE1-NH1 2.88Å; E208-R280 PolarHBondContact OE1-NH1 3.22Å; E208-R280 WeakPolarHBondContact OE2-CG 3.34Å; E208-R280 IonicContact OE2-CZ 3.95Å; E208-R280 IonicContact OE2-NE 3.84Å; E208-R280 PolarHBondContact OE2-NE 2.96Å; E208-R280 IonicContact OE2-NH1 3.72Å; E208-R280 PolarHBondContact OE2-NH1 2.91Å; E208-R280 IonicContact OE2-NH2 3.98Å; R280-D284 PolarHBondContact N-OD2 2.91Å
281	N	98	Very high	98.6	Very high	103 Å²	103	48.1 Å²	48.1	55%	0.551	24%	0.241	S	C	*	.	S	Bend	trans	-124.7	162.7	-178.3	-54.6	-36.2	0	0	0	111.7	Q283 D284	N281-Q283 PolarHBondContact O-N 3.21Å; N281-Q283 VanDerWaalsContact O-N 3.1Å; N281-D284 PolarHBondContact N-OD2 2.85Å; N281-D284 WeakPolarHBondContact O-CB 3.44Å; N281-D284 PolarHBondContact O-N 3.1Å
282	W	98.1	Very high	98.6	Very high	124 Å²	124	45.8 Å²	45.8	47%	0.47	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.6	-178.5	-62.7	109.8	0	0	0	116.2	W193 Q195 Y202 I209	W193-W282 AromaticContact CH2-CE3 3.84Å; W193-W282 HydrophobicContact CH2-CE3 3.84Å; W193-W282 HydrophobicContact CH2-CZ3 4.27Å; W193-W282 AromaticContact CZ2-CE3 3.84Å; W193-W282 HydrophobicContact CZ2-CE3 3.84Å; W193-W282 AromaticContact CZ2-CZ3 3.79Å; W193-W282 HydrophobicContact CZ2-CZ3 3.79Å; Q195-W282 PolarHBondContact NE2-O 3.07Å; Y202-W282 AromaticContact CD1-CH2 3.6Å; Y202-W282 HydrophobicContact CD1-CH2 3.6Å; Y202-W282 AromaticContact CD1-CZ2 3.8Å; Y202-W282 HydrophobicContact CD1-CZ2 3.8Å; Y202-W282 HydrophobicContact CE1-CZ2 4.41Å; Y202-W282 AromaticContact CG-CH2 3.91Å; Y202-W282 HydrophobicContact CG-CH2 3.91Å; I209-W282 HydrophobicContact CD1-CD2 4.45Å; I209-W282 HydrophobicContact CD1-CE3 4.47Å
283	Q	97.9	Very high	98.6	Very high	142 Å²	142	43.5 Å²	43.5	66%	0.664	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	-10.2	176.6	-44.2	-49.6	1.6	0	0	112.9	N281	N281-Q283 PolarHBondContact O-N 3.21Å; N281-Q283 VanDerWaalsContact O-N 3.1Å
284	D	98.6	Very high	98.6	Very high	56 Å²	56	41.6 Å²	41.6	30%	0.299	21%	0.209	S	C	.	.			trans	-70.5	162.4	174.7	-59.3	-23.5	0	0	0	109.9	W193 C279 R280 N281	W193-D284 VanDerWaalsContact CZ3-O 3.31Å; W193-D284 WeakPolarHBondContact CZ3-O 3.45Å; C279-D284 HydrophobicContact CB-CB 3.83Å; R280-D284 PolarHBondContact N-OD2 2.91Å; N281-D284 PolarHBondContact N-OD2 2.85Å; N281-D284 WeakPolarHBondContact O-CB 3.44Å; N281-D284 PolarHBondContact O-N 3.1Å
285	S	98.6	Very high	98.6	Very high	34 Å²	34	41.7 Å²	41.7	24%	0.238	21%	0.205	C	C	.	.			trans	-149.7	149.2	168.8	62.6	0	0	0	0	110.4	W193 R196 S277	W193-S285 CarbonylContact O-C 3.59Å; W193-S285 WeakPolarHBondContact O-CA 3.46Å; W193-S285 VanDerWaalsContact O-CB 3.22Å; W193-S285 WeakPolarHBondContact O-CB 3.48Å; R196-S285 PolarHBondContact NE-OG 2.62Å; R196-S285 VanDerWaalsContact NE-OG 3.13Å; S277-S285 PolarHBondContact OG-O 2.69Å
286	S	98.8	Very high	98.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	161.1	179.7	62	0	0	0	0	111.2	W193 S276 S277 C279	W193-S286 PolarHBondContact N-O 3.04Å; W193-S286 PolarHBondContact O-N 2.85Å; S276-S286 VanDerWaalsContact OG-CA 3.29Å; S276-S286 WeakPolarHBondContact OG-CA 3.45Å; S277-S286 VanDerWaalsContact O-CB 3.32Å; S277-S286 WeakPolarHBondContact O-CB 3.41Å; S277-S286 WeakPolarHBondContact OG-CB 3.47Å; C279-S286 VanDerWaalsContact SG-CB 3.56Å; C279-S286 PolarHBondContact SG-OG 3.14Å
287	V	98.8	Very high	97.9	Very high	12 Å²	12	47 Å²	47	7%	0.073	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.8	166.8	-176.8	0	0	0	0	108	D189 C191 F197 S276 Y289	D189-V287 HydrophobicContact CB-CG1 3.91Å; C191-V287 CarbonylContact O-C 3.58Å; C191-V287 VanDerWaalsContact O-CA 3.31Å; C191-V287 WeakPolarHBondContact O-CA 3.37Å; F197-V287 HydrophobicContact CE2-CG2 4.11Å; F197-V287 HydrophobicContact CZ-CG2 3.8Å; S276-V287 PolarHBondContact N-O 3.18Å; S276-V287 PolarHBondContact OG-N 3.13Å; V287-Y289 HydrophobicContact CB-CE1 4.08Å; V287-Y289 HydrophobicContact CG1-CD1 4.36Å; V287-Y289 HydrophobicContact CG1-CE1 3.69Å
288	S	98.9	Very high	97.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	148.4	177.1	-57.8	0	0	0	0	112	F190 C191 I213 D217 Y273 A274	F190-S288 PolarHBondContact N-O 3.05Å; C191-S288 PolarHBondContact O-N 3.42Å; I213-S288 WeakPolarHBondContact CG2-OG 3.39Å; D217-S288 WeakPolarHBondContact OD2-CB 3.26Å; D217-S288 PolarHBondContact OD2-OG 3.4Å; Y273-S288 PolarHBondContact OH-OG 2.59Å; Y273-S288 VanDerWaalsContact OH-OG 3.07Å; A274-S288 CarbonylContact O-C 3.56Å; A274-S288 WeakPolarHBondContact O-CA 3.47Å
289	Y	98.9	Very high	97.9	Very high	8 Å²	8	43.8 Å²	43.8	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134.1	179.7	-45.5	-56.4	0	0	0	109.3	P48 A50 Y54 C55 Y273 A274 S276 V287	P48-Y289 HydrophobicContact CB-CD1 3.89Å; P48-Y289 HydrophobicContact CB-CG 4.27Å; A50-Y289 HydrophobicContact CB-CD1 4.34Å; A50-Y289 HydrophobicContact CB-CE1 3.5Å; A50-Y289 VanDerWaalsContact CB-CE1 3.5Å; Y54-Y289 WeakPolarHBondContact CB-OH 3.43Å; C55-Y289 HydrophobicContact CB-CD1 3.69Å; C55-Y289 HydrophobicContact CB-CD2 3.79Å; C55-Y289 HydrophobicContact CB-CE1 3.96Å; C55-Y289 HydrophobicContact CB-CE2 4.04Å; C55-Y289 HydrophobicContact CB-CG 3.61Å; Y273-Y289 CarbonylContact C-O 3.51Å; Y273-Y289 WeakPolarHBondContact CA-O 3.42Å; A274-Y289 HydrophobicContact CB-CD2 4.26Å; A274-Y289 PolarHBondContact N-O 2.81Å; A274-Y289 PolarHBondContact O-N 2.86Å; S276-Y289 WeakPolarHBondContact CB-OH 3.4Å; V287-Y289 HydrophobicContact CB-CE1 4.08Å; V287-Y289 HydrophobicContact CG1-CD1 4.36Å; V287-Y289 HydrophobicContact CG1-CE1 3.69Å
290	A	98.9	Very high	97.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.3	173	0	0	0	0	0	109.9	F190 M221 F270 N272 Y273	F190-A290 HydrophobicContact CD2-CB 3.71Å; F190-A290 HydrophobicContact CE2-CB 3.62Å; F190-A290 HydrophobicContact CG-CB 4.29Å; F190-A290 HydrophobicContact CZ-CB 4.12Å; M221-A290 HydrophobicContact CE-CB 4.04Å; M221-A290 HydrophobicContact CG-CB 4.46Å; M221-A290 HydrophobicContact SD-CB 4.05Å; F270-A290 HydrophobicContact CD1-CB 3.71Å; F270-A290 HydrophobicContact CE1-CB 3.71Å; N272-A290 WeakPolarHBondContact O-CA 3.48Å; Y273-A290 HydrophobicContact CD2-CB 4.39Å
291	A	98.9	Very high	97.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130	176.8	0	0	0	0	0	109.2	I46 C58 H61 A62 F270 L271 N272	I46-A291 WeakPolarHBondContact O-CA 3.49Å; C58-A291 WeakPolarHBondContact O-CB 3.4Å; H61-A291 HydrophobicContact CB-CB 4.07Å; A62-A291 HydrophobicContact CB-CB 3.86Å; F270-A291 CarbonylContact C-O 3.59Å; L271-A291 PolarHBondContact N-O 2.72Å; N272-A291 HydrophobicContact CB-CB 4.46Å; N272-A291 PolarHBondContact N-O 3.31Å; N272-A291 PolarHBondContact O-N 3.49Å
292	G	98.8	Very high	97.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	165	-178.7	0	0	0	0	0	112.6	I45 I46 S269	I45-G292 CarbonylContact C-O 3.53Å; I45-G292 WeakPolarHBondContact CA-O 3.45Å; I45-G292 WeakPolarHBondContact CB-O 3.46Å; I46-G292 PolarHBondContact N-O 3.02Å; I46-G292 PolarHBondContact O-N 3.08Å; S269-G292 CarbonylContact O-C 3.59Å; S269-G292 WeakPolarHBondContact O-CA 3.38Å
293	A	98.9	Very high	97.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142.5	-177.9	0	0	0	0	0	111.7	I39 A42 A44 I45 Q65 F268 S269 L271	I39-A293 HydrophobicContact CB-CB 4.14Å; I39-A293 HydrophobicContact CD1-CB 4.43Å; I39-A293 HydrophobicContact CG2-CB 4.01Å; A42-A293 HydrophobicContact CB-CB 4.07Å; A44-A293 CarbonylContact O-C 3.53Å; A44-A293 WeakPolarHBondContact O-CA 3.46Å; I45-A293 HydrophobicContact CG2-CB 4.19Å; Q65-A293 HydrophobicContact CB-CB 3.9Å; Q65-A293 HydrophobicContact CG-CB 3.8Å; F268-A293 WeakPolarHBondContact CA-O 3.29Å; S269-A293 PolarHBondContact N-O 2.62Å; S269-A293 PolarHBondContact O-N 2.85Å; L271-A293 HydrophobicContact CD1-CB 4.19Å
294	L	98.8	Very high	97.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	132.3	169.4	-172.6	75.2	0	0	0	108.9	A42 R43 A44 L177 L227 L252 V256 M266 N267 F268	A42-L294 CarbonylContact C-O 3.58Å; A42-L294 WeakPolarHBondContact CA-O 3.11Å; R43-L294 PolarHBondContact N-O 3.16Å; A44-L294 HydrophobicContact CB-CB 3.74Å; A44-L294 HydrophobicContact CB-CD2 3.91Å; A44-L294 PolarHBondContact O-N 3.3Å; L177-L294 HydrophobicContact CD1-CD2 4.31Å; L177-L294 HydrophobicContact CD2-CD2 4.47Å; L227-L294 HydrophobicContact CD1-CD1 4.01Å; L227-L294 HydrophobicContact CD2-CD1 3.95Å; L252-L294 HydrophobicContact CD1-CD2 4.39Å; V256-L294 HydrophobicContact CG2-CD1 4.31Å; V256-L294 HydrophobicContact CG2-CD2 3.9Å; M266-L294 HydrophobicContact CB-CD1 4.14Å; M266-L294 HydrophobicContact SD-CD2 4.22Å; N267-L294 WeakPolarHBondContact O-CA 3.32Å; F268-L294 HydrophobicContact CB-CD1 3.91Å; F268-L294 HydrophobicContact CD2-CB 3.76Å; F268-L294 HydrophobicContact CD2-CD1 4.07Å; F268-L294 HydrophobicContact CE2-CB 4.34Å
295	I	97.8	Very high	97.7	Very high	33 Å²	33	21.6 Å²	21.6	17%	0.169	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.2	165.1	-167.4	163.4	0	0	0	110	I39 M266 N267	I39-I295 HydrophobicContact CG2-CB 3.75Å; I39-I295 HydrophobicContact CG2-CD1 4.47Å; I39-I295 HydrophobicContact CG2-CG2 4.1Å; M266-I295 VanDerWaalsContact CA-O 3.3Å; M266-I295 WeakPolarHBondContact CA-O 3.14Å; N267-I295 HydrophobicContact CB-CG2 4.28Å; N267-I295 PolarHBondContact N-O 3.14Å; N267-I295 VanDerWaalsContact N-O 3.11Å; N267-I295 PolarHBondContact O-N 3.14Å
296	V	95.3	Very high	97.6	Very high	29 Å²	29	20.6 Å²	20.6	18%	0.176	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.3	171.2	-176.3	0	0	0	0	107.1	R43 L264 M266	R43-V296 HydrophobicContact CB-CG2 3.67Å; R43-V296 HydrophobicContact CG-CG2 3.69Å; L264-V296 HydrophobicContact CD2-CG1 4.15Å; M266-V296 HydrophobicContact CE-CB 4.29Å; M266-V296 HydrophobicContact CE-CG1 3.87Å; M266-V296 HydrophobicContact CE-CG2 3.45Å; M266-V296 VanDerWaalsContact CE-CG2 3.45Å; M266-V296 HydrophobicContact CG-CB 4.42Å; M266-V296 HydrophobicContact CG-CG1 4.26Å; M266-V296 HydrophobicContact CG-CG2 3.97Å; M266-V296 HydrophobicContact SD-CG2 3.98Å
297	H	88.2	Confident	97.5	Very high	165 Å²	165	22.5 Å²	22.5	76%	0.764	11%	0.11	S	C	*	.			trans	-89.5	0	-178.9	-62.2	-73.8	0	0	0	112.1	E265	E265-H297 HydrophobicContact CB-CB 4.13Å; E265-H297 PolarHBondContact O-N 3.06Å

Retrieved 297 of 297 residues in 121.8 ms (Link to these results)

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