A0A087Y8G4_POEFO Loading...

BTB/POZ domain-containing protein 9

AlphaFold DB , UniProt , Accession A0A087Y8G4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 613 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	36.8	Very low	42.5	Very low	246 Å²	246	154.4 Å²	154.4	100%	1.212	85%	0.846	S	S	*	*				0	104.4	0	-81.3	-171.8	162.9	0	0	108.9
2	S	32.7	Very low	43.9	Very low	115 Å²	115	145.3 Å²	145.3	80%	0.804	80%	0.803	S	S	*	*			trans	165.2	83.9	141.7	51.3	0	0	0	0	108	S4	S2-S4 PolarHBondContact O-N 3.36Å
3	N	37.6	Very low	45.5	Very low	164 Å²	164	146.5 Å²	146.5	88%	0.877	82%	0.816	S	S	*	*			trans	-76.4	114.1	167.3	-79.1	-14	0	0	0	107.7
4	S	37.3	Very low	47.6	Very low	116 Å²	116	143.6 Å²	143.6	81%	0.811	81%	0.81	S	S	*	*			trans	-121.8	73.2	162.8	48.6	0	0	0	0	108.7	S2	S2-S4 PolarHBondContact O-N 3.36Å
5	H	35.9	Very low	49.9	Very low	170 Å²	170	143.3 Å²	143.3	79%	0.787	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-82.5	137.5	159	-94.1	-65	0	0	0	108.1	L7	H5-L7 PolarHBondContact O-N 2.91Å
6	P	43.5	Very low	52.3	Low	119 Å²	119	143.6 Å²	143.6	77%	0.773	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-59.1	136.4	173	24.8	-31.7	0	0	0	109.6	R8	P6-R8 PolarHBondContact O-N 2.59Å
7	L	39.1	Very low	54.2	Low	173 Å²	173	141.4 Å²	141.4	91%	0.906	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-46.8	118.7	-175	-69.8	150.2	0	0	0	111.5	H5	H5-L7 PolarHBondContact O-N 2.91Å
8	R	51.4	Low	56.3	Low	230 Å²	230	140.5 Å²	140.5	87%	0.868	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-53.3	132.6	159.6	-92	179.7	174.3	169.9	-2.5	107.9	P6 L10	P6-R8 PolarHBondContact O-N 2.59Å; R8-L10 PolarHBondContact O-N 3.18Å
9	P	49.6	Very low	58.1	Low	121 Å²	121	139.4 Å²	139.4	79%	0.786	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-57.6	134.5	163.8	-14.8	28	0	0	0	107.8	A11	P9-A11 VanDerWaalsContact C-N 3.35Å; P9-A11 PolarHBondContact O-N 3.21Å
10	L	48.9	Very low	59.7	Low	175 Å²	175	136.9 Å²	136.9	92%	0.916	75%	0.746	S	S	*	*			trans	-58.8	104.3	165.2	-82.8	101.3	0	0	0	106.8	R8 S12	R8-L10 PolarHBondContact O-N 3.18Å; L10-S12 PolarHBondContact O-N 3.26Å; L10-S12 VanDerWaalsContact O-N 3.15Å
11	A	54.8	Low	61.3	Low	69 Å²	69	134.3 Å²	134.3	57%	0.57	73%	0.731	S	S	*	*			trans	-54.5	122.6	170.4	0	0	0	0	0	107.7	P9	P9-A11 VanDerWaalsContact C-N 3.35Å; P9-A11 PolarHBondContact O-N 3.21Å
12	S	58.6	Low	63.9	Low	46 Å²	46	127.2 Å²	127.2	32%	0.322	70%	0.698	S	S	.	*			trans	-61.5	142.5	174.6	69	0	0	0	0	108.8	L10 S14 E15	L10-S12 PolarHBondContact O-N 3.26Å; L10-S12 VanDerWaalsContact O-N 3.15Å; S12-S14 WeakPolarHBondContact CB-OG 3.26Å; S12-S14 PolarHBondContact O-N 2.85Å; S12-S14 PolarHBondContact OG-OG 2.73Å; S12-E15 PolarHBondContact O-N 3.42Å
13	V	65.1	Low	66.9	Low	161 Å²	161	122.5 Å²	122.5	98%	0.976	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-10.3	177.3	-174.8	0	0	0	0	112.2
14	S	75.3	Confident	69.4	Low	105 Å²	105	119.7 Å²	119.7	73%	0.734	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-8.4	173.8	37.1	0	0	0	0	115.4	S12	S12-S14 WeakPolarHBondContact CB-OG 3.26Å; S12-S14 PolarHBondContact O-N 2.85Å; S12-S14 PolarHBondContact OG-OG 2.73Å
15	E	81.4	Confident	72.1	Confident	140 Å²	140	119.5 Å²	119.5	65%	0.654	63%	0.633	S	S	*	*			trans	-124	128.3	-174.8	-69.1	178.9	164.1	0	0	112	S12	S12-E15 PolarHBondContact O-N 3.42Å
16	I	88	Confident	74.8	Confident	147 Å²	147	114 Å²	114	75%	0.754	61%	0.609	S	S	*	*			trans	-91.9	111.7	173.7	-59.9	175.1	0	0	0	108.4	H18	I16-H18 VanDerWaalsContact CG2-CE1 3.41Å; I16-H18 WeakPolarHBondContact CG2-CE1 3.29Å; I16-H18 WeakPolarHBondContact CG2-NE2 3.44Å
17	D	85.9	Confident	77.1	Confident	106 Å²	106	109.2 Å²	109.2	57%	0.567	58%	0.582	S	S	*	*			trans	-105.4	99.7	175.9	-178.8	3.3	0	0	0	111.2	I19	D17-I19 WeakPolarHBondContact OD1-CB 3.49Å; D17-I19 WeakPolarHBondContact OD1-CD1 3.33Å; D17-I19 WeakPolarHBondContact OD1-CG1 3.45Å; D17-I19 PolarHBondContact OD1-N 3.37Å
18	H	91.8	Very high	79.6	Confident	126 Å²	126	106.8 Å²	106.8	58%	0.583	57%	0.573	S	S	*	*			trans	-110.6	23.9	174	-64.5	169.5	0	0	0	112.4	I16 H20 L21 L22	I16-H18 VanDerWaalsContact CG2-CE1 3.41Å; I16-H18 WeakPolarHBondContact CG2-CE1 3.29Å; I16-H18 WeakPolarHBondContact CG2-NE2 3.44Å; H18-H20 PolarHBondContact O-N 2.87Å; H18-L21 HydrophobicContact CB-CB 4.42Å; H18-L21 PolarHBondContact O-N 3.46Å; H18-L22 PolarHBondContact O-N 2.64Å
19	I	90.8	Very high	81.5	Confident	120 Å²	120	98 Å²	98	62%	0.615	54%	0.544	S	S	*	.	H	α-helix	trans	-56.8	-36.9	-177.2	-68.5	168.7	0	0	0	111.3	D17 L22 S23	D17-I19 WeakPolarHBondContact OD1-CB 3.49Å; D17-I19 WeakPolarHBondContact OD1-CD1 3.33Å; D17-I19 WeakPolarHBondContact OD1-CG1 3.45Å; D17-I19 PolarHBondContact OD1-N 3.37Å; I19-L22 PolarHBondContact O-N 3.44Å; I19-S23 WeakPolarHBondContact O-CB 3.15Å; I19-S23 PolarHBondContact O-N 3.02Å
20	H	89.9	Confident	83.4	Confident	88 Å²	88	93.7 Å²	93.7	41%	0.407	52%	0.515	S	S	.	.	H	α-helix	trans	-62.7	-43.5	176.9	-173	7	0	0	0	112.5	H18 S23 E24 R99	H18-H20 PolarHBondContact O-N 2.87Å; H20-S23 WeakPolarHBondContact O-CB 3.37Å; H20-S23 PolarHBondContact O-N 3.31Å; H20-E24 IonicContact CE1-OE1 3.91Å; H20-E24 PolarHBondContact CE1-OE1 3.32Å; H20-E24 IonicContact ND1-OE1 2.82Å; H20-E24 IonicContact NE2-OE1 3.37Å; H20-E24 PolarHBondContact O-N 3.12Å; H20-R99 PolarHBondContact CE1-NH2 3.45Å; H20-R99 PolarHBondContact ND1-NH2 2.95Å; H20-R99 PolarHBondContact NE2-NH2 3.05Å
21	L	92.8	Very high	84.8	Confident	83 Å²	83	88.4 Å²	88.4	44%	0.435	49%	0.49	S	S	.	.	H	α-helix	trans	-66.6	-42	179.6	-177	65	0	0	0	110.8	H18 S23 E24 Q25	H18-L21 HydrophobicContact CB-CB 4.42Å; H18-L21 PolarHBondContact O-N 3.46Å; L21-S23 VanDerWaalsContact C-N 3.31Å; L21-S23 PolarHBondContact O-N 2.73Å; L21-E24 PolarHBondContact O-N 3.26Å; L21-Q25 HydrophobicContact CD1-CG 4.48Å; L21-Q25 HydrophobicContact CG-CG 4.47Å; L21-Q25 WeakPolarHBondContact O-CB 3.21Å; L21-Q25 VanDerWaalsContact O-CG 3.24Å; L21-Q25 WeakPolarHBondContact O-CG 3.34Å; L21-Q25 PolarHBondContact O-N 3.35Å
22	L	92.4	Very high	86.2	Confident	97 Å²	97	86.2 Å²	86.2	51%	0.508	47%	0.474	S	S	.	.	H	α-helix	trans	-58.1	-45	173.4	176.8	64.1	0	0	0	111.3	H18 I19 E24 Q25 L26	H18-L22 PolarHBondContact O-N 2.64Å; I19-L22 PolarHBondContact O-N 3.44Å; L22-E24 PolarHBondContact O-N 2.91Å; L22-Q25 PolarHBondContact O-N 2.86Å; L22-L26 HydrophobicContact CD1-CD1 4.18Å; L22-L26 HydrophobicContact CD1-CG 4.22Å; L22-L26 HydrophobicContact CG-CD1 4.26Å; L22-L26 WeakPolarHBondContact O-CG 3.49Å; L22-L26 PolarHBondContact O-N 3.1Å
23	S	93.8	Very high	87.5	Confident	16 Å²	16	91.9 Å²	91.9	11%	0.112	50%	0.495	C	S	.	.	H	α-helix	trans	-60.4	-41.6	176.9	158.8	0	0	0	0	112.5	I19 H20 L21 G27 T97	I19-S23 WeakPolarHBondContact O-CB 3.15Å; I19-S23 PolarHBondContact O-N 3.02Å; H20-S23 WeakPolarHBondContact O-CB 3.37Å; H20-S23 PolarHBondContact O-N 3.31Å; L21-S23 VanDerWaalsContact C-N 3.31Å; L21-S23 PolarHBondContact O-N 2.73Å; S23-G27 PolarHBondContact O-N 3.14Å; S23-T97 PolarHBondContact OG-O 2.99Å
24	E	91.9	Very high	88.6	Confident	105 Å²	105	89.9 Å²	89.9	49%	0.491	48%	0.475	S	S	.	.	H	α-helix	trans	-68.5	-44.8	177.4	-73.1	-177.6	162.7	0	0	111.4	H20 L21 L22 L26 G27 V28	H20-E24 IonicContact CE1-OE1 3.91Å; H20-E24 PolarHBondContact CE1-OE1 3.32Å; H20-E24 IonicContact ND1-OE1 2.82Å; H20-E24 IonicContact NE2-OE1 3.37Å; H20-E24 PolarHBondContact O-N 3.12Å; L21-E24 PolarHBondContact O-N 3.26Å; L22-E24 PolarHBondContact O-N 2.91Å; E24-L26 PolarHBondContact O-N 3.45Å; E24-G27 WeakPolarHBondContact O-CA 3.4Å; E24-G27 PolarHBondContact O-N 3.29Å; E24-V28 WeakPolarHBondContact O-CG2 3.45Å; E24-V28 PolarHBondContact O-N 2.99Å; E24-V28 VanDerWaalsContact O-N 3.14Å
25	Q	92.9	Very high	89.2	Confident	112 Å²	112	93.2 Å²	93.2	52%	0.523	47%	0.473	S	S	.	.	H	α-helix	trans	-61.1	-43.5	179	-72.7	171.2	-18.5	0	0	112.2	L21 L22 G27 V28	L21-Q25 HydrophobicContact CD1-CG 4.48Å; L21-Q25 HydrophobicContact CG-CG 4.47Å; L21-Q25 WeakPolarHBondContact O-CB 3.21Å; L21-Q25 VanDerWaalsContact O-CG 3.24Å; L21-Q25 WeakPolarHBondContact O-CG 3.34Å; L21-Q25 PolarHBondContact O-N 3.35Å; L22-Q25 PolarHBondContact O-N 2.86Å; Q25-G27 VanDerWaalsContact C-N 3.33Å; Q25-V28 PolarHBondContact O-N 3.35Å
26	L	92.8	Very high	89.7	Confident	54 Å²	54	88.1 Å²	88.1	28%	0.283	45%	0.453	S	S	.	.	H	α-helix	trans	-67.3	-35.8	172.2	-68.8	178.9	0	0	0	111.5	L22 E24 V28 L29 I53 Y96	L22-L26 HydrophobicContact CD1-CD1 4.18Å; L22-L26 HydrophobicContact CD1-CG 4.22Å; L22-L26 HydrophobicContact CG-CD1 4.26Å; L22-L26 WeakPolarHBondContact O-CG 3.49Å; L22-L26 PolarHBondContact O-N 3.1Å; E24-L26 PolarHBondContact O-N 3.45Å; L26-V28 PolarHBondContact O-N 2.96Å; L26-L29 HydrophobicContact CD2-CD1 4.22Å; L26-L29 WeakPolarHBondContact O-CB 3.46Å; L26-L29 PolarHBondContact O-N 2.92Å; L26-I53 HydrophobicContact CD2-CD1 4.14Å; L26-Y96 WeakPolarHBondContact O-CD1 3.38Å
27	G	91.5	Very high	90	Very high	20 Å²	20	83.5 Å²	83.5	21%	0.206	43%	0.43	C	S	.	.	H	α-helix	trans	-56.9	-33.1	176	0	0	0	0	0	114	S23 E24 Q25 L29 V30	S23-G27 PolarHBondContact O-N 3.14Å; E24-G27 WeakPolarHBondContact O-CA 3.4Å; E24-G27 PolarHBondContact O-N 3.29Å; Q25-G27 VanDerWaalsContact C-N 3.33Å; G27-L29 PolarHBondContact O-N 3.46Å; G27-V30 VanDerWaalsContact O-CB 3.3Å; G27-V30 WeakPolarHBondContact O-CB 3.23Å; G27-V30 VanDerWaalsContact O-CG2 3.32Å; G27-V30 WeakPolarHBondContact O-CG2 3.48Å; G27-V30 PolarHBondContact O-N 2.9Å; G27-V30 VanDerWaalsContact O-N 3.14Å
28	V	91.8	Very high	90.4	Very high	121 Å²	121	78.6 Å²	78.6	73%	0.733	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-24.9	176.2	-177.3	0	0	0	0	112.5	E24 Q25 L26 V30	E24-V28 WeakPolarHBondContact O-CG2 3.45Å; E24-V28 PolarHBondContact O-N 2.99Å; E24-V28 VanDerWaalsContact O-N 3.14Å; Q25-V28 PolarHBondContact O-N 3.35Å; L26-V28 PolarHBondContact O-N 2.96Å; V28-V30 VanDerWaalsContact C-N 3.3Å; V28-V30 PolarHBondContact O-N 2.83Å
29	L	92.3	Very high	90.6	Very high	46 Å²	46	73.7 Å²	73.7	24%	0.241	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-9.6	178.9	-58.6	176.5	0	0	0	113.4	L26 G27 V31 G32 H50 I53 Y96	L26-L29 HydrophobicContact CD2-CD1 4.22Å; L26-L29 WeakPolarHBondContact O-CB 3.46Å; L26-L29 PolarHBondContact O-N 2.92Å; G27-L29 PolarHBondContact O-N 3.46Å; L29-V31 PolarHBondContact O-N 2.84Å; L29-G32 PolarHBondContact O-N 2.89Å; L29-G32 VanDerWaalsContact O-N 3.14Å; L29-H50 PolarHBondContact O-CE1 3.15Å; L29-I53 HydrophobicContact CD1-CD1 4.32Å; L29-Y96 HydrophobicContact CB-CD1 4.24Å; L29-Y96 HydrophobicContact CB-CE1 3.92Å
30	V	89.4	Confident	90.8	Very high	31 Å²	31	68 Å²	68	19%	0.188	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	123	-179.4	173.5	0	0	0	0	109.7	G27 V28 G32 L92 Y96	G27-V30 VanDerWaalsContact O-CB 3.3Å; G27-V30 WeakPolarHBondContact O-CB 3.23Å; G27-V30 VanDerWaalsContact O-CG2 3.32Å; G27-V30 WeakPolarHBondContact O-CG2 3.48Å; G27-V30 PolarHBondContact O-N 2.9Å; G27-V30 VanDerWaalsContact O-N 3.14Å; V28-V30 VanDerWaalsContact C-N 3.3Å; V28-V30 PolarHBondContact O-N 2.83Å; V30-G32 PolarHBondContact O-N 2.91Å; V30-G32 VanDerWaalsContact O-N 3.1Å; V30-L92 HydrophobicContact CG1-CD2 4.44Å; V30-L92 HydrophobicContact CG1-CG 4.5Å; V30-Y96 VanDerWaalsContact CG2-CB 3.45Å; V30-Y96 HydrophobicContact CG2-CD1 3.71Å; V30-Y96 HydrophobicContact CG2-CD2 3.97Å; V30-Y96 HydrophobicContact CG2-CE1 4.39Å; V30-Y96 HydrophobicContact CG2-CG 3.44Å; V30-Y96 VanDerWaalsContact CG2-CG 3.44Å
31	V	77.7	Confident	91	Very high	64 Å²	64	64.9 Å²	64.9	39%	0.388	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	12.7	-177.9	-169.1	0	0	0	0	112.8	L29 F47 P48 L92	L29-V31 PolarHBondContact O-N 2.84Å; V31-F47 HydrophobicContact CG2-CD1 4.05Å; V31-P48 WeakPolarHBondContact O-CG 3.14Å; V31-L92 HydrophobicContact CG2-CD2 4.08Å
32	G	84.3	Confident	91.2	Very high	22 Å²	22	60.9 Å²	60.9	23%	0.227	32%	0.32	C	S	.	.			trans	-76.6	138.7	169.7	0	0	0	0	0	111.4	L29 V30 E34	L29-G32 PolarHBondContact O-N 2.89Å; L29-G32 VanDerWaalsContact O-N 3.14Å; V30-G32 PolarHBondContact O-N 2.91Å; V30-G32 VanDerWaalsContact O-N 3.1Å; G32-E34 VanDerWaalsContact C-N 3.3Å
33	E	86.3	Confident	91.2	Very high	166 Å²	166	62 Å²	62	78%	0.776	32%	0.322	S	S	*	.			trans	-76.5	-22.7	172.2	-67.1	-171.6	165.5	0	0	112.1	Y35 S36 P48	E33-Y35 PolarHBondContact O-N 3.03Å; E33-S36 WeakPolarHBondContact O-CB 3.45Å; E33-S36 PolarHBondContact O-N 3.24Å; E33-S36 PolarHBondContact O-OG 2.92Å; E33-P48 HydrophobicContact CG-CG 4.18Å
34	E	87.3	Confident	91.1	Very high	119 Å²	119	64.4 Å²	64.4	56%	0.556	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	124.7	-178.5	-150	-174.1	166.3	0	0	110.5	G32 S36 H50	G32-E34 VanDerWaalsContact C-N 3.3Å; E34-S36 PolarHBondContact O-N 3.2Å; E34-H50 PolarHBondContact O-NE2 2.9Å
35	Y	88.4	Confident	91.2	Very high	174 Å²	174	65.4 Å²	65.4	68%	0.682	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	7.6	-177.1	-41.2	-68.9	0	0	0	116.2	E33 H50	E33-Y35 PolarHBondContact O-N 3.03Å; Y35-H50 PolarHBondContact O-CD2 3.17Å; Y35-H50 VanDerWaalsContact O-CD2 3.26Å
36	S	92.3	Very high	91.3	Very high	34 Å²	34	67.9 Å²	67.9	24%	0.238	36%	0.357	C	S	.	.			trans	-65.6	135.7	176.1	68.6	0	0	0	0	111.4	E33 E34 A49	E33-S36 WeakPolarHBondContact O-CB 3.45Å; E33-S36 PolarHBondContact O-N 3.24Å; E33-S36 PolarHBondContact O-OG 2.92Å; E34-S36 PolarHBondContact O-N 3.2Å; S36-A49 WeakPolarHBondContact CA-O 3.26Å
37	D	93.6	Very high	91.4	Very high	50 Å²	50	66 Å²	66	27%	0.267	35%	0.347	S	S	.	.			trans	-129.6	6.7	-174.3	61.6	-6.8	0	0	0	112.7	A49 H50 R51 Q75	D37-A49 PolarHBondContact N-O 2.81Å; D37-A49 VanDerWaalsContact N-O 3.12Å; D37-H50 WeakPolarHBondContact OD1-CA 3.39Å; D37-R51 WeakPolarHBondContact O-CD 3.38Å; D37-R51 VanDerWaalsContact OD1-CG 3.23Å; D37-R51 WeakPolarHBondContact OD1-CG 3.46Å; D37-R51 PolarHBondContact OD1-N 2.97Å; D37-R51 WeakPolarHBondContact OD2-CD 3.48Å; D37-Q75 WeakPolarHBondContact O-CA 3.32Å; D37-Q75 PolarHBondContact O-N 3.17Å
38	V	94.4	Very high	91.6	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.012	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	150.7	169.6	62.8	0	0	0	0	110.1	F40 A49 R51 L65 A76 V78	V38-F40 HydrophobicContact CG1-CE2 3.95Å; V38-F40 HydrophobicContact CG2-CE2 4.15Å; V38-F40 HydrophobicContact CG2-CZ 4.39Å; V38-A49 HydrophobicContact CG1-CB 4.05Å; V38-A49 WeakPolarHBondContact CG1-O 3.48Å; V38-A49 PolarHBondContact N-O 3.49Å; V38-A49 PolarHBondContact O-N 3.03Å; V38-R51 HydrophobicContact CB-CG 3.74Å; V38-R51 HydrophobicContact CG1-CG 3.66Å; V38-L65 HydrophobicContact CB-CD2 4.45Å; V38-L65 HydrophobicContact CG2-CD2 3.87Å; V38-A76 WeakPolarHBondContact CG2-O 3.43Å; V38-V78 HydrophobicContact CG2-CG2 4.07Å
39	T	95.2	Very high	91.8	Very high	24 Å²	24	60 Å²	60	15%	0.147	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.3	172.3	-61.3	0	0	0	0	110.6	R46 A76 E77 V78	T39-R46 HydrophobicContact CG2-CB 4.06Å; T39-A76 PolarHBondContact N-O 3.19Å; T39-E77 CarbonylContact O-C 3.52Å; T39-E77 WeakPolarHBondContact O-CA 3.36Å; T39-V78 PolarHBondContact O-N 3.39Å
40	F	95.3	Very high	91.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	138.8	170.3	-64.8	-91.7	0	0	0	110.6	V38 V42 R46 F47 A49 L54 F61 L64 V78 L80 F88	V38-F40 HydrophobicContact CG1-CE2 3.95Å; V38-F40 HydrophobicContact CG2-CE2 4.15Å; V38-F40 HydrophobicContact CG2-CZ 4.39Å; F40-V42 HydrophobicContact CB-CG2 4.45Å; F40-R46 CarbonylContact O-C 3.58Å; F40-R46 WeakPolarHBondContact O-CA 3.24Å; F40-F47 HydrophobicContact CB-CB 4.19Å; F40-F47 PolarHBondContact N-O 3.2Å; F40-F47 PolarHBondContact O-N 2.94Å; F40-A49 HydrophobicContact CD2-CB 4.2Å; F40-A49 HydrophobicContact CE2-CB 4.15Å; F40-L54 HydrophobicContact CE2-CD1 3.49Å; F40-L54 VanDerWaalsContact CE2-CD1 3.49Å; F40-L54 HydrophobicContact CZ-CD1 3.86Å; F40-F61 HydrophobicContact CE1-CD1 4.22Å; F40-F61 AromaticContact CE1-CE1 3.66Å; F40-F61 HydrophobicContact CE1-CE1 3.66Å; F40-F61 AromaticContact CZ-CD1 3.9Å; F40-F61 HydrophobicContact CZ-CD1 3.9Å; F40-F61 AromaticContact CZ-CE1 3.67Å; F40-F61 HydrophobicContact CZ-CE1 3.67Å; F40-L64 HydrophobicContact CE1-CD2 4.42Å; F40-V78 CarbonylContact C-O 3.56Å; F40-V78 VanDerWaalsContact CA-O 3.24Å; F40-V78 WeakPolarHBondContact CA-O 3.19Å; F40-V78 HydrophobicContact CD1-CB 3.69Å; F40-V78 HydrophobicContact CD1-CG1 3.8Å; F40-V78 HydrophobicContact CE1-CB 3.81Å; F40-V78 HydrophobicContact CE1-CG1 3.75Å; F40-V78 HydrophobicContact CE1-CG2 4.26Å; F40-V78 HydrophobicContact CG-CB 4.49Å; F40-L80 HydrophobicContact CD1-CD1 3.85Å; F40-L80 HydrophobicContact CD1-CD2 4.31Å; F40-L80 HydrophobicContact CD1-CG 4.03Å; F40-F88 HydrophobicContact CB-CE1 3.74Å; F40-F88 HydrophobicContact CB-CZ 3.81Å; F40-F88 AromaticContact CD1-CZ 3.99Å; F40-F88 HydrophobicContact CD1-CZ 3.99Å; F40-F88 HydrophobicContact CD2-CE1 4.38Å; F40-F88 AromaticContact CD2-CZ 3.95Å; F40-F88 HydrophobicContact CD2-CZ 3.95Å; F40-F88 HydrophobicContact CG-CE1 4.06Å; F40-F88 AromaticContact CG-CZ 3.63Å; F40-F88 HydrophobicContact CG-CZ 3.63Å
41	V	95.6	Very high	92.2	Very high	22 Å²	22	57.7 Å²	57.7	13%	0.133	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	116.6	174.7	-178.1	0	0	0	0	108.9	K45 R46 E77 V78 R79 L80	V41-K45 WeakPolarHBondContact CA-O 3.25Å; V41-R46 HydrophobicContact CG2-CG 4.37Å; V41-E77 HydrophobicContact CG2-CG 3.51Å; V41-E77 WeakPolarHBondContact CG2-OE1 3.39Å; V41-V78 PolarHBondContact N-O 3.05Å; V41-R79 HydrophobicContact CB-CG 4.25Å; V41-L80 PolarHBondContact O-N 3.28Å
42	V	95.4	Very high	93	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	121.4	-173.8	-169.4	0	0	0	0	108.3	F40 G44 K45 F47 L80 T83 A85 F88	F40-V42 HydrophobicContact CB-CG2 4.45Å; V42-G44 PolarHBondContact O-N 2.98Å; V42-G44 VanDerWaalsContact O-N 3.13Å; V42-K45 PolarHBondContact N-O 3.44Å; V42-K45 WeakPolarHBondContact O-CB 3.22Å; V42-K45 PolarHBondContact O-N 3.39Å; V42-F47 HydrophobicContact CB-CD2 4.2Å; V42-F47 HydrophobicContact CB-CE2 3.89Å; V42-F47 HydrophobicContact CG2-CD2 4.02Å; V42-F47 HydrophobicContact CG2-CE2 4.17Å; V42-L80 HydrophobicContact CG2-CB 4.07Å; V42-L80 HydrophobicContact CG2-CD1 4.01Å; V42-L80 HydrophobicContact CG2-CG 4.32Å; V42-T83 HydrophobicContact CG1-CG2 3.9Å; V42-T83 WeakPolarHBondContact CG1-O 3.32Å; V42-A85 HydrophobicContact CG1-CB 4.31Å; V42-F88 HydrophobicContact CG1-CB 4.32Å; V42-F88 HydrophobicContact CG2-CB 4.36Å; V42-F88 HydrophobicContact CG2-CD1 3.71Å; V42-F88 HydrophobicContact CG2-CE1 4.13Å; V42-F88 HydrophobicContact CG2-CG 3.97Å
43	E	93.2	Very high	93.5	Very high	120 Å²	120	59.1 Å²	59.1	56%	0.561	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	38.2	-172.8	-61.2	-179.4	135.9	0	0	113.2	K45 A85	E43-K45 PolarHBondContact O-N 3.31Å; E43-K45 VanDerWaalsContact O-N 3.15Å; E43-A85 HydrophobicContact CB-CB 4.35Å; E43-A85 VanDerWaalsContact OE2-CB 3.31Å; E43-A85 WeakPolarHBondContact OE2-CB 3.4Å; E43-A85 PolarHBondContact OE2-N 3.44Å
44	G	91.1	Very high	93.9	Very high	67 Å²	67	51.2 Å²	51.2	69%	0.691	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	-4	-177.1	0	0	0	0	0	115.4	V42	V42-G44 PolarHBondContact O-N 2.98Å; V42-G44 VanDerWaalsContact O-N 3.13Å
45	K	94.4	Very high	94.3	Very high	126 Å²	126	45.9 Å²	45.9	55%	0.548	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	141.2	173.7	-62.5	178.7	-174.9	169.5	0	110.5	V41 V42 E43 F47 A85	V41-K45 WeakPolarHBondContact CA-O 3.25Å; V42-K45 PolarHBondContact N-O 3.44Å; V42-K45 WeakPolarHBondContact O-CB 3.22Å; V42-K45 PolarHBondContact O-N 3.39Å; E43-K45 PolarHBondContact O-N 3.31Å; E43-K45 VanDerWaalsContact O-N 3.15Å; K45-F47 HydrophobicContact CB-CD2 4.5Å; K45-F47 HydrophobicContact CB-CE2 3.77Å; K45-F47 HydrophobicContact CB-CZ 4.35Å; K45-A85 HydrophobicContact CD-CB 3.84Å
46	R	94.8	Very high	94.6	Very high	164 Å²	164	41.5 Å²	41.5	62%	0.619	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	132.7	-179.7	-60.5	-177.9	69.6	158.9	2.5	110.5	T39 F40 V41	T39-R46 HydrophobicContact CG2-CB 4.06Å; F40-R46 CarbonylContact O-C 3.58Å; F40-R46 WeakPolarHBondContact O-CA 3.24Å; V41-R46 HydrophobicContact CG2-CG 4.37Å
47	F	96	Very high	94.8	Very high	15 Å²	15	45.4 Å²	45.4	7%	0.066	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	91.4	178.9	-67.1	-93	0	0	0	109	V31 F40 V42 K45 A85 F88 L92	V31-F47 HydrophobicContact CG2-CD1 4.05Å; F40-F47 HydrophobicContact CB-CB 4.19Å; F40-F47 PolarHBondContact N-O 3.2Å; F40-F47 PolarHBondContact O-N 2.94Å; V42-F47 HydrophobicContact CB-CD2 4.2Å; V42-F47 HydrophobicContact CB-CE2 3.89Å; V42-F47 HydrophobicContact CG2-CD2 4.02Å; V42-F47 HydrophobicContact CG2-CE2 4.17Å; K45-F47 HydrophobicContact CB-CD2 4.5Å; K45-F47 HydrophobicContact CB-CE2 3.77Å; K45-F47 HydrophobicContact CB-CZ 4.35Å; F47-A85 HydrophobicContact CE2-CB 4.14Å; F47-A85 HydrophobicContact CZ-CB 3.98Å; F47-F88 HydrophobicContact CB-CD1 4.43Å; F47-F88 HydrophobicContact CB-CE1 3.95Å; F47-F88 HydrophobicContact CD1-CD1 4.18Å; F47-F88 HydrophobicContact CD1-CE1 4.43Å; F47-F88 HydrophobicContact CD2-CD1 4.07Å; F47-F88 HydrophobicContact CD2-CE1 4.33Å; F47-F88 HydrophobicContact CE1-CD1 4.47Å; F47-F88 HydrophobicContact CE2-CD1 4.37Å; F47-F88 AromaticContact CG-CD1 3.97Å; F47-F88 HydrophobicContact CG-CD1 3.97Å; F47-F88 AromaticContact CG-CE1 4Å; F47-F88 HydrophobicContact CG-CE1 4Å; F47-L92 HydrophobicContact CB-CD2 4.49Å; F47-L92 HydrophobicContact CD1-CD2 4.43Å
48	P	95.3	Very high	94.9	Very high	13 Å²	13	43.2 Å²	43.2	8%	0.084	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	139.3	171	27.7	-33.6	0	0	0	110	V31 E33	V31-P48 WeakPolarHBondContact O-CG 3.14Å; E33-P48 HydrophobicContact CG-CG 4.18Å
49	A	95.7	Very high	95	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	173.4	-176.9	0	0	0	0	0	112.5	S36 D37 V38 F40 L54 L92 Y96	S36-A49 WeakPolarHBondContact CA-O 3.26Å; D37-A49 PolarHBondContact N-O 2.81Å; D37-A49 VanDerWaalsContact N-O 3.12Å; V38-A49 HydrophobicContact CG1-CB 4.05Å; V38-A49 WeakPolarHBondContact CG1-O 3.48Å; V38-A49 PolarHBondContact N-O 3.49Å; V38-A49 PolarHBondContact O-N 3.03Å; F40-A49 HydrophobicContact CD2-CB 4.2Å; F40-A49 HydrophobicContact CE2-CB 4.15Å; A49-L54 HydrophobicContact CB-CD1 4.02Å; A49-L92 HydrophobicContact CB-CD1 4.23Å; A49-Y96 WeakPolarHBondContact CA-OH 3.43Å
50	H	94.9	Very high	94.9	Very high	11 Å²	11	54.3 Å²	54.3	5%	0.051	28%	0.278	C	S	.	.			trans	-114.4	113.1	-173.9	-57.4	82.5	0	0	0	110.4	L29 E34 Y35 D37 V52 I53 L54 Y96	L29-H50 PolarHBondContact O-CE1 3.15Å; E34-H50 PolarHBondContact O-NE2 2.9Å; Y35-H50 PolarHBondContact O-CD2 3.17Å; Y35-H50 VanDerWaalsContact O-CD2 3.26Å; D37-H50 WeakPolarHBondContact OD1-CA 3.39Å; H50-V52 VanDerWaalsContact C-N 3.26Å; H50-V52 PolarHBondContact O-N 3.43Å; H50-I53 HydrophobicContact CB-CB 4.32Å; H50-I53 HydrophobicContact CB-CD1 3.96Å; H50-I53 HydrophobicContact CB-CG1 4.11Å; H50-I53 PolarHBondContact O-N 3.22Å; H50-L54 WeakPolarHBondContact O-CG 3.4Å; H50-L54 PolarHBondContact O-N 3.13Å; H50-Y96 PolarHBondContact N-OH 2.87Å; H50-Y96 AromaticContact ND1-CE1 3.56Å; H50-Y96 AromaticContact ND1-CZ 3.62Å; H50-Y96 PolarHBondContact ND1-OH 3.47Å
51	R	94.3	Very high	94.9	Very high	19 Å²	19	54.4 Å²	54.4	7%	0.072	28%	0.278	C	S	.	.	H	α-helix	trans	-57.1	-39.8	-175.3	-66.4	165.2	59.8	145.6	-8.2	112.4	D37 V38 A55 L65 Y66 S72 Q73	D37-R51 WeakPolarHBondContact O-CD 3.38Å; D37-R51 VanDerWaalsContact OD1-CG 3.23Å; D37-R51 WeakPolarHBondContact OD1-CG 3.46Å; D37-R51 PolarHBondContact OD1-N 2.97Å; D37-R51 WeakPolarHBondContact OD2-CD 3.48Å; V38-R51 HydrophobicContact CB-CG 3.74Å; V38-R51 HydrophobicContact CG1-CG 3.66Å; R51-A55 WeakPolarHBondContact O-CB 3.5Å; R51-A55 PolarHBondContact O-N 3.13Å; R51-L65 HydrophobicContact CB-CB 4.47Å; R51-L65 HydrophobicContact CB-CD1 4.1Å; R51-L65 HydrophobicContact CG-CB 4.36Å; R51-L65 HydrophobicContact CG-CD1 4.02Å; R51-L65 HydrophobicContact CG-CD2 4.28Å; R51-L65 HydrophobicContact CG-CG 4.44Å; R51-L65 PolarHBondContact NH2-O 3.23Å; R51-Y66 HydrophobicContact CB-CE2 4.16Å; R51-S72 VanDerWaalsContact CZ-O 3.23Å; R51-S72 PolarHBondContact NH1-O 3Å; R51-S72 PolarHBondContact NH2-O 3.21Å; R51-Q73 PolarHBondContact NH1-O 3.23Å
52	V	94.5	Very high	94.9	Very high	93 Å²	93	60.2 Å²	60.2	56%	0.564	30%	0.298	S	S	*	.	H	α-helix	trans	-63.4	-41.1	-179.2	68.2	0	0	0	0	112.3	H50 A56	H50-V52 VanDerWaalsContact C-N 3.26Å; H50-V52 PolarHBondContact O-N 3.43Å; V52-A56 VanDerWaalsContact O-CB 3.26Å; V52-A56 WeakPolarHBondContact O-CB 3.46Å; V52-A56 PolarHBondContact O-N 2.93Å
53	I	95.3	Very high	94.8	Very high	22 Å²	22	63.3 Å²	63.3	11%	0.113	32%	0.323	C	S	.	.	H	α-helix	trans	-68.5	-49.7	179.9	-63.2	177.3	0	0	0	109.5	L26 L29 H50 A55 A56 R57 Y96	L26-I53 HydrophobicContact CD2-CD1 4.14Å; L29-I53 HydrophobicContact CD1-CD1 4.32Å; H50-I53 HydrophobicContact CB-CB 4.32Å; H50-I53 HydrophobicContact CB-CD1 3.96Å; H50-I53 HydrophobicContact CB-CG1 4.11Å; H50-I53 PolarHBondContact O-N 3.22Å; I53-A55 PolarHBondContact O-N 3.24Å; I53-A56 PolarHBondContact O-N 2.85Å; I53-R57 WeakPolarHBondContact O-CB 3.41Å; I53-R57 VanDerWaalsContact O-CG 3.28Å; I53-R57 WeakPolarHBondContact O-CG 3.33Å; I53-R57 PolarHBondContact O-N 3.28Å; I53-R57 VanDerWaalsContact O-N 3.13Å; I53-Y96 HydrophobicContact CD1-CD1 3.74Å; I53-Y96 HydrophobicContact CD1-CE1 3.45Å; I53-Y96 VanDerWaalsContact CD1-CE1 3.45Å; I53-Y96 HydrophobicContact CG2-CD1 4.16Å; I53-Y96 HydrophobicContact CG2-CD2 4.04Å; I53-Y96 HydrophobicContact CG2-CE1 4.31Å; I53-Y96 HydrophobicContact CG2-CE2 4.19Å; I53-Y96 HydrophobicContact CG2-CG 4.06Å
54	L	95.7	Very high	94.8	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.1	-45	-179.8	-59.8	-179.1	0	0	0	111.8	F40 A49 H50 A56 R57 C58 F61 L65 L92 L95 Y96	F40-L54 HydrophobicContact CE2-CD1 3.49Å; F40-L54 VanDerWaalsContact CE2-CD1 3.49Å; F40-L54 HydrophobicContact CZ-CD1 3.86Å; A49-L54 HydrophobicContact CB-CD1 4.02Å; H50-L54 WeakPolarHBondContact O-CG 3.4Å; H50-L54 PolarHBondContact O-N 3.13Å; L54-A56 VanDerWaalsContact C-N 3.32Å; L54-A56 PolarHBondContact O-N 3.44Å; L54-R57 PolarHBondContact O-N 2.77Å; L54-C58 PolarHBondContact O-N 3.02Å; L54-F61 HydrophobicContact CB-CB 3.8Å; L54-F61 HydrophobicContact CB-CD2 4.3Å; L54-F61 HydrophobicContact CB-CG 4.08Å; L54-L65 HydrophobicContact CB-CD1 4.22Å; L54-L65 HydrophobicContact CD1-CD1 4.21Å; L54-L92 HydrophobicContact CD2-CD1 3.74Å; L54-L95 HydrophobicContact CD2-CB 4.12Å; L54-L95 HydrophobicContact CD2-CD1 3.66Å; L54-Y96 HydrophobicContact CD2-CE2 4.06Å
55	A	95.1	Very high	94.9	Very high	7 Å²	7	56 Å²	56	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-69.3	-26.9	179.4	0	0	0	0	0	113.8	R51 I53 R62 Y66	R51-A55 WeakPolarHBondContact O-CB 3.5Å; R51-A55 PolarHBondContact O-N 3.13Å; I53-A55 PolarHBondContact O-N 3.24Å; A55-R62 HydrophobicContact CB-CB 3.87Å; A55-R62 HydrophobicContact CB-CG 4.14Å; A55-Y66 HydrophobicContact CB-CD2 3.73Å; A55-Y66 HydrophobicContact CB-CE2 3.48Å; A55-Y66 VanDerWaalsContact CB-CE2 3.48Å
56	A	95.6	Very high	94.7	Very high	82 Å²	82	55.8 Å²	55.8	68%	0.678	27%	0.268	S	S	*	.	H	α-helix	trans	-74.3	-29.4	173.7	0	0	0	0	0	112.2	V52 I53 L54	V52-A56 VanDerWaalsContact O-CB 3.26Å; V52-A56 WeakPolarHBondContact O-CB 3.46Å; V52-A56 PolarHBondContact O-N 2.93Å; I53-A56 PolarHBondContact O-N 2.85Å; L54-A56 VanDerWaalsContact C-N 3.32Å; L54-A56 PolarHBondContact O-N 3.44Å
57	R	95.3	Very high	94.4	Very high	117 Å²	117	50.4 Å²	50.4	44%	0.442	26%	0.264	S	S	.	.	H	α-helix	trans	-102.7	-16.4	-171.2	-64.2	-69.2	-60.9	-126.8	-1.9	114.1	I53 L54 L95	I53-R57 WeakPolarHBondContact O-CB 3.41Å; I53-R57 VanDerWaalsContact O-CG 3.28Å; I53-R57 WeakPolarHBondContact O-CG 3.33Å; I53-R57 PolarHBondContact O-N 3.28Å; I53-R57 VanDerWaalsContact O-N 3.13Å; L54-R57 PolarHBondContact O-N 2.77Å; R57-L95 HydrophobicContact CB-CD2 3.91Å; R57-L95 WeakPolarHBondContact CG-O 3.48Å
58	C	96.7	Very high	93.8	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.027	29%	0.294	C	S	.	.			trans	-147.6	121.2	-175.4	177.9	0	0	0	0	111.1	L54 Y60 F61 R62 L95 Y120 L122	L54-C58 PolarHBondContact O-N 3.02Å; C58-Y60 VanDerWaalsContact C-N 3.3Å; C58-Y60 PolarHBondContact O-N 3.14Å; C58-F61 HydrophobicContact CB-CB 4.29Å; C58-F61 HydrophobicContact CB-CD2 3.69Å; C58-F61 HydrophobicContact CB-CG 4.46Å; C58-F61 PolarHBondContact O-N 3.1Å; C58-F61 VanDerWaalsContact SG-CD2 3.57Å; C58-R62 PolarHBondContact O-N 3.14Å; C58-L95 HydrophobicContact CB-CD2 4.08Å; C58-Y120 PolarHBondContact SG-O 3.24Å; C58-L122 HydrophobicContact CB-CD2 4.08Å
59	H	94.8	Very high	93.4	Very high	163 Å²	163	58.8 Å²	58.8	76%	0.755	32%	0.322	S	S	*	.	H	α-helix	trans	-63.4	-34.7	179.6	-72.4	-68.6	0	0	0	113	R62 A63	H59-R62 WeakPolarHBondContact O-CB 3.28Å; H59-R62 PolarHBondContact O-N 3.48Å; H59-A63 PolarHBondContact O-N 3.02Å
60	Y	94.8	Very high	92.8	Very high	96 Å²	96	66.6 Å²	66.6	38%	0.376	36%	0.356	S	S	.	.	H	α-helix	trans	-59.3	-52.3	174.6	175.1	-91.6	0	0	0	111.2	C58 R62 A63 L64 Y120	C58-Y60 VanDerWaalsContact C-N 3.3Å; C58-Y60 PolarHBondContact O-N 3.14Å; Y60-R62 VanDerWaalsContact C-N 3.28Å; Y60-R62 PolarHBondContact O-N 3.13Å; Y60-A63 PolarHBondContact O-N 3.18Å; Y60-A63 VanDerWaalsContact O-N 3.14Å; Y60-L64 HydrophobicContact CE1-CD2 4.14Å; Y60-L64 WeakPolarHBondContact O-CB 3.42Å; Y60-L64 PolarHBondContact O-N 3.36Å; Y60-Y120 AromaticContact CD1-CD1 3.33Å; Y60-Y120 HydrophobicContact CD1-CD1 3.33Å; Y60-Y120 AromaticContact CD1-CE1 3.69Å; Y60-Y120 HydrophobicContact CD1-CE1 3.69Å; Y60-Y120 HydrophobicContact CD1-CG 4.17Å; Y60-Y120 HydrophobicContact CD2-CD1 4.21Å; Y60-Y120 AromaticContact CE1-CD1 3.57Å; Y60-Y120 HydrophobicContact CE1-CD1 3.57Å; Y60-Y120 AromaticContact CE1-CE1 3.39Å; Y60-Y120 HydrophobicContact CE1-CE1 3.39Å; Y60-Y120 HydrophobicContact CE2-CD1 4.39Å; Y60-Y120 AromaticContact CG-CD1 3.69Å; Y60-Y120 HydrophobicContact CG-CD1 3.69Å; Y60-Y120 HydrophobicContact CG-CE1 4.38Å; Y60-Y120 HydrophobicContact CG-CG 4.5Å; Y60-Y120 AromaticContact CZ-CE1 3.86Å
61	F	95.1	Very high	92.5	Very high	1 Å²	1	69.1 Å²	69.1	0%	0.004	37%	0.368	C	S	.	.	H	α-helix	trans	-65.4	-31.7	177.8	-72	-59	0	0	0	112.5	F40 L54 C58 L64 L65 F88 L91 L95 Y120	F40-F61 HydrophobicContact CE1-CD1 4.22Å; F40-F61 AromaticContact CE1-CE1 3.66Å; F40-F61 HydrophobicContact CE1-CE1 3.66Å; F40-F61 AromaticContact CZ-CD1 3.9Å; F40-F61 HydrophobicContact CZ-CD1 3.9Å; F40-F61 AromaticContact CZ-CE1 3.67Å; F40-F61 HydrophobicContact CZ-CE1 3.67Å; L54-F61 HydrophobicContact CB-CB 3.8Å; L54-F61 HydrophobicContact CB-CD2 4.3Å; L54-F61 HydrophobicContact CB-CG 4.08Å; C58-F61 HydrophobicContact CB-CB 4.29Å; C58-F61 HydrophobicContact CB-CD2 3.69Å; C58-F61 HydrophobicContact CB-CG 4.46Å; C58-F61 PolarHBondContact O-N 3.1Å; C58-F61 VanDerWaalsContact SG-CD2 3.57Å; F61-L64 HydrophobicContact CD1-CD2 4.15Å; F61-L64 HydrophobicContact CE1-CD2 4.47Å; F61-L64 PolarHBondContact O-N 3.16Å; F61-L65 HydrophobicContact CB-CD1 4.21Å; F61-L65 VanDerWaalsContact O-CB 3.25Å; F61-L65 WeakPolarHBondContact O-CB 3.46Å; F61-L65 WeakPolarHBondContact O-CG 3.35Å; F61-L65 PolarHBondContact O-N 3.04Å; F61-F88 HydrophobicContact CZ-CE2 4.33Å; F61-L91 HydrophobicContact CE2-CD2 4.44Å; F61-L95 HydrophobicContact CD2-CD1 3.98Å; F61-L95 HydrophobicContact CE2-CD1 3.68Å; F61-Y120 HydrophobicContact CE2-CD2 4.16Å; F61-Y120 HydrophobicContact CE2-CE2 4.37Å; F61-Y120 HydrophobicContact CE2-CG 4.45Å; F61-Y120 HydrophobicContact CZ-CD2 4.2Å; F61-Y120 AromaticContact CZ-CE2 3.96Å; F61-Y120 HydrophobicContact CZ-CE2 3.96Å
62	R	94.6	Very high	92	Very high	145 Å²	145	69.4 Å²	69.4	55%	0.547	37%	0.373	S	S	.	.	H	α-helix	trans	-59.3	-48.4	171.2	-175.3	-180	174.8	85.6	3	111.5	A55 C58 H59 Y60 Y66	A55-R62 HydrophobicContact CB-CB 3.87Å; A55-R62 HydrophobicContact CB-CG 4.14Å; C58-R62 PolarHBondContact O-N 3.14Å; H59-R62 WeakPolarHBondContact O-CB 3.28Å; H59-R62 PolarHBondContact O-N 3.48Å; Y60-R62 VanDerWaalsContact C-N 3.28Å; Y60-R62 PolarHBondContact O-N 3.13Å; R62-Y66 WeakPolarHBondContact O-CB 3.35Å; R62-Y66 PolarHBondContact O-N 3.24Å
63	A	93.4	Very high	91.6	Very high	64 Å²	64	70.8 Å²	70.8	53%	0.529	37%	0.373	S	S	.	.	H	α-helix	trans	-64.5	-45.5	178.4	0	0	0	0	0	111.5	H59 Y60 L65 G67	H59-A63 PolarHBondContact O-N 3.02Å; Y60-A63 PolarHBondContact O-N 3.18Å; Y60-A63 VanDerWaalsContact O-N 3.14Å; A63-L65 PolarHBondContact O-N 3.06Å; A63-G67 WeakPolarHBondContact O-CA 3.16Å; A63-G67 PolarHBondContact O-N 2.87Å
64	L	93	Very high	90.8	Very high	34 Å²	34	74.9 Å²	74.9	18%	0.178	40%	0.401	C	S	.	.	H	α-helix	trans	-60.3	-46.2	179.7	-175.4	66.9	0	0	0	112.3	F40 Y60 F61 E71 V78	F40-L64 HydrophobicContact CE1-CD2 4.42Å; Y60-L64 HydrophobicContact CE1-CD2 4.14Å; Y60-L64 WeakPolarHBondContact O-CB 3.42Å; Y60-L64 PolarHBondContact O-N 3.36Å; F61-L64 HydrophobicContact CD1-CD2 4.15Å; F61-L64 HydrophobicContact CE1-CD2 4.47Å; F61-L64 PolarHBondContact O-N 3.16Å; L64-E71 HydrophobicContact CD1-CB 3.93Å; L64-E71 HydrophobicContact CD1-CG 3.97Å; L64-E71 HydrophobicContact CG-CB 4.18Å; L64-V78 HydrophobicContact CD2-CG1 4.13Å
65	L	93.1	Very high	90.3	Very high	0 Å²	0	83 Å²	83	0%	0	44%	0.439	C	S	.	.	H	α-helix	trans	-92.1	-19.2	-169.8	-58	169.3	0	0	0	112.9	V38 R51 L54 F61 A63 S72	V38-L65 HydrophobicContact CB-CD2 4.45Å; V38-L65 HydrophobicContact CG2-CD2 3.87Å; R51-L65 HydrophobicContact CB-CB 4.47Å; R51-L65 HydrophobicContact CB-CD1 4.1Å; R51-L65 HydrophobicContact CG-CB 4.36Å; R51-L65 HydrophobicContact CG-CD1 4.02Å; R51-L65 HydrophobicContact CG-CD2 4.28Å; R51-L65 HydrophobicContact CG-CG 4.44Å; R51-L65 PolarHBondContact NH2-O 3.23Å; L54-L65 HydrophobicContact CB-CD1 4.22Å; L54-L65 HydrophobicContact CD1-CD1 4.21Å; F61-L65 HydrophobicContact CB-CD1 4.21Å; F61-L65 VanDerWaalsContact O-CB 3.25Å; F61-L65 WeakPolarHBondContact O-CB 3.46Å; F61-L65 WeakPolarHBondContact O-CG 3.35Å; F61-L65 PolarHBondContact O-N 3.04Å; A63-L65 PolarHBondContact O-N 3.06Å; L65-S72 WeakPolarHBondContact O-CA 3.31Å; L65-S72 WeakPolarHBondContact O-CB 3.38Å
66	Y	91.6	Very high	90	Very high	121 Å²	121	83.2 Å²	83.2	48%	0.475	44%	0.441	S	S	.	.	H	α-helix	trans	-123.8	6.7	179.9	-65.3	-87.7	0	0	0	113.7	R51 A55 R62 G68	R51-Y66 HydrophobicContact CB-CE2 4.16Å; A55-Y66 HydrophobicContact CB-CD2 3.73Å; A55-Y66 HydrophobicContact CB-CE2 3.48Å; A55-Y66 VanDerWaalsContact CB-CE2 3.48Å; R62-Y66 WeakPolarHBondContact O-CB 3.35Å; R62-Y66 PolarHBondContact O-N 3.24Å; Y66-G68 PolarHBondContact O-N 3.43Å
67	G	87.2	Confident	89.9	Confident	52 Å²	52	83.8 Å²	83.8	54%	0.536	43%	0.429	S	S	.	.	S	Bend	trans	-84	3.3	-177.6	0	0	0	0	0	116.2	A63	A63-G67 WeakPolarHBondContact O-CA 3.16Å; A63-G67 PolarHBondContact O-N 2.87Å
68	G	84.3	Confident	89.8	Confident	66 Å²	66	78.7 Å²	78.7	68%	0.68	41%	0.411	S	S	*	.	S	Bend	trans	83.1	6.9	174.8	0	0	0	0	0	116.2	Y66 S72	Y66-G68 PolarHBondContact O-N 3.43Å; G68-S72 VanDerWaalsContact C-OG 3.27Å; G68-S72 VanDerWaalsContact CA-OG 3.26Å; G68-S72 WeakPolarHBondContact CA-OG 3Å
69	M	86.1	Confident	89.6	Confident	138 Å²	138	86.8 Å²	86.8	68%	0.68	44%	0.442	S	S	*	.	S	Bend	trans	-83.1	-179.7	173.8	-62.2	-167.2	-178.3	0	0	112.2	E71 S72	M69-E71 WeakPolarHBondContact CB-OE2 3.18Å; M69-E71 PolarHBondContact O-N 3.15Å; M69-S72 PolarHBondContact N-OG 2.84Å; M69-S72 VanDerWaalsContact O-CB 3.29Å; M69-S72 WeakPolarHBondContact O-CB 3.4Å; M69-S72 PolarHBondContact O-N 3.45Å; M69-S72 PolarHBondContact O-OG 2.92Å
70	K	84.4	Confident	89.4	Confident	163 Å²	163	79.9 Å²	79.9	71%	0.709	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-55.8	-37.2	-177.5	-175.2	-177.6	174.8	-172.3	0	112	S72 Q73	K70-S72 PolarHBondContact O-N 2.87Å; K70-Q73 WeakPolarHBondContact O-CB 3.43Å; K70-Q73 WeakPolarHBondContact O-CG 3.44Å; K70-Q73 PolarHBondContact O-N 3.46Å
71	E	87.7	Confident	89.1	Confident	65 Å²	65	82.9 Å²	82.9	30%	0.304	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-68.8	-15.3	179.6	-61.3	73.9	-161.1	0	0	112.5	L64 M69 Q73 A76 V78	L64-E71 HydrophobicContact CD1-CB 3.93Å; L64-E71 HydrophobicContact CD1-CG 3.97Å; L64-E71 HydrophobicContact CG-CB 4.18Å; M69-E71 WeakPolarHBondContact CB-OE2 3.18Å; M69-E71 PolarHBondContact O-N 3.15Å; E71-Q73 VanDerWaalsContact C-N 3.31Å; E71-A76 WeakPolarHBondContact O-CB 3.48Å; E71-V78 HydrophobicContact CB-CG2 4.18Å; E71-V78 HydrophobicContact CG-CG2 4.17Å
72	S	84.6	Confident	88.7	Confident	25 Å²	25	91.5 Å²	91.5	18%	0.175	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-82.3	-5.4	175.4	76.6	0	0	0	0	113.6	R51 L65 G68 M69 K70	R51-S72 VanDerWaalsContact CZ-O 3.23Å; R51-S72 PolarHBondContact NH1-O 3Å; R51-S72 PolarHBondContact NH2-O 3.21Å; L65-S72 WeakPolarHBondContact O-CA 3.31Å; L65-S72 WeakPolarHBondContact O-CB 3.38Å; G68-S72 VanDerWaalsContact C-OG 3.27Å; G68-S72 VanDerWaalsContact CA-OG 3.26Å; G68-S72 WeakPolarHBondContact CA-OG 3Å; M69-S72 PolarHBondContact N-OG 2.84Å; M69-S72 VanDerWaalsContact O-CB 3.29Å; M69-S72 WeakPolarHBondContact O-CB 3.4Å; M69-S72 PolarHBondContact O-N 3.45Å; M69-S72 PolarHBondContact O-OG 2.92Å; K70-S72 PolarHBondContact O-N 2.87Å
73	Q	86	Confident	88.5	Confident	122 Å²	122	85.1 Å²	85.1	57%	0.57	45%	0.445	S	S	*	.	S	Bend	trans	-69.9	137.7	175.7	-66.5	-175.5	4.8	0	0	111	R51 K70 E71 Q75 A76	R51-Q73 PolarHBondContact NH1-O 3.23Å; K70-Q73 WeakPolarHBondContact O-CB 3.43Å; K70-Q73 WeakPolarHBondContact O-CG 3.44Å; K70-Q73 PolarHBondContact O-N 3.46Å; E71-Q73 VanDerWaalsContact C-N 3.31Å; Q73-Q75 PolarHBondContact O-N 3.47Å; Q73-A76 WeakPolarHBondContact O-CB 3.47Å; Q73-A76 PolarHBondContact O-N 3.36Å; Q73-A76 VanDerWaalsContact O-N 3.1Å
74	P	78.8	Confident	88.6	Confident	108 Å²	108	85.2 Å²	85.2	70%	0.701	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	137.8	172.5	-23.9	33.8	0	0	0	110.3	A76	P74-A76 VanDerWaalsContact C-N 3.27Å; P74-A76 PolarHBondContact O-N 3.32Å
75	Q	84.2	Confident	88.7	Confident	169 Å²	169	83.7 Å²	83.7	79%	0.79	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	21.8	-175.3	-51.7	-178.5	-22.7	0	0	115	D37 Q73	D37-Q75 WeakPolarHBondContact O-CA 3.32Å; D37-Q75 PolarHBondContact O-N 3.17Å; Q73-Q75 PolarHBondContact O-N 3.47Å
76	A	89.4	Confident	88.7	Confident	13 Å²	13	88 Å²	88	11%	0.107	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	141.5	173.4	0	0	0	0	0	112.2	V38 T39 E71 Q73 P74	V38-A76 WeakPolarHBondContact CG2-O 3.43Å; T39-A76 PolarHBondContact N-O 3.19Å; E71-A76 WeakPolarHBondContact O-CB 3.48Å; Q73-A76 WeakPolarHBondContact O-CB 3.47Å; Q73-A76 PolarHBondContact O-N 3.36Å; Q73-A76 VanDerWaalsContact O-N 3.1Å; P74-A76 VanDerWaalsContact C-N 3.27Å; P74-A76 PolarHBondContact O-N 3.32Å
77	E	92.8	Very high	89	Confident	93 Å²	93	82.2 Å²	82.2	44%	0.435	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	113.6	169.2	-170	-175.8	127.1	0	0	108.7	T39 V41 R79	T39-E77 CarbonylContact O-C 3.52Å; T39-E77 WeakPolarHBondContact O-CA 3.36Å; V41-E77 HydrophobicContact CG2-CG 3.51Å; V41-E77 WeakPolarHBondContact CG2-OE1 3.39Å; E77-R79 IonicContact OE1-CZ 3.84Å; E77-R79 IonicContact OE1-NE 3.35Å; E77-R79 PolarHBondContact OE1-NE 2.97Å; E77-R79 IonicContact OE1-NH2 3.37Å; E77-R79 PolarHBondContact OE1-NH2 3.26Å
78	V	93.3	Very high	89.4	Confident	10 Å²	10	79.9 Å²	79.9	6%	0.061	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	117.5	-179.1	-178.8	0	0	0	0	109.1	V38 T39 F40 V41 L64 E71 L80	V38-V78 HydrophobicContact CG2-CG2 4.07Å; T39-V78 PolarHBondContact O-N 3.39Å; F40-V78 CarbonylContact C-O 3.56Å; F40-V78 VanDerWaalsContact CA-O 3.24Å; F40-V78 WeakPolarHBondContact CA-O 3.19Å; F40-V78 HydrophobicContact CD1-CB 3.69Å; F40-V78 HydrophobicContact CD1-CG1 3.8Å; F40-V78 HydrophobicContact CE1-CB 3.81Å; F40-V78 HydrophobicContact CE1-CG1 3.75Å; F40-V78 HydrophobicContact CE1-CG2 4.26Å; F40-V78 HydrophobicContact CG-CB 4.49Å; V41-V78 PolarHBondContact N-O 3.05Å; L64-V78 HydrophobicContact CD2-CG1 4.13Å; E71-V78 HydrophobicContact CB-CG2 4.18Å; E71-V78 HydrophobicContact CG-CG2 4.17Å; V78-L80 HydrophobicContact CG1-CD2 4.1Å
79	R	92.9	Very high	89.9	Confident	175 Å²	175	78.9 Å²	78.9	66%	0.66	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	125.5	177.8	-62.4	-173.5	174.9	177.4	-1.1	109.6	V41 E77	V41-R79 HydrophobicContact CB-CG 4.25Å; E77-R79 IonicContact OE1-CZ 3.84Å; E77-R79 IonicContact OE1-NE 3.35Å; E77-R79 PolarHBondContact OE1-NE 2.97Å; E77-R79 IonicContact OE1-NH2 3.37Å; E77-R79 PolarHBondContact OE1-NH2 3.26Å
80	L	91.4	Very high	90.4	Very high	18 Å²	18	73.6 Å²	73.6	9%	0.094	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	105.5	173.1	-55.1	177.9	0	0	0	108.2	F40 V41 V42 V78 F88	F40-L80 HydrophobicContact CD1-CD1 3.85Å; F40-L80 HydrophobicContact CD1-CD2 4.31Å; F40-L80 HydrophobicContact CD1-CG 4.03Å; V41-L80 PolarHBondContact O-N 3.28Å; V42-L80 HydrophobicContact CG2-CB 4.07Å; V42-L80 HydrophobicContact CG2-CD1 4.01Å; V42-L80 HydrophobicContact CG2-CG 4.32Å; V78-L80 HydrophobicContact CG1-CD2 4.1Å; L80-F88 HydrophobicContact CD1-CD2 3.58Å; L80-F88 HydrophobicContact CD1-CE1 4.46Å; L80-F88 HydrophobicContact CD1-CE2 3.26Å; L80-F88 HydrophobicContact CD1-CG 4.31Å; L80-F88 HydrophobicContact CD1-CZ 3.75Å
81	E	88.3	Confident	90.9	Very high	158 Å²	158	65.9 Å²	65.9	74%	0.738	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	156.2	173.8	-61.3	-178.8	-178.8	0	0	109.6	T83	E81-T83 PolarHBondContact O-N 3.44Å; E81-T83 PolarHBondContact O-OG1 2.94Å
82	E	85.8	Confident	91.3	Very high	183 Å²	183	62.9 Å²	62.9	86%	0.855	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	30.5	177.5	-54.2	178.8	168.9	0	0	114.4
83	T	91.3	Very high	91.8	Very high	10 Å²	10	64.8 Å²	64.8	6%	0.061	31%	0.314	C	S	.	.			trans	-124.8	126.9	179	-58	0	0	0	0	109.1	V42 E81 F88 L116	V42-T83 HydrophobicContact CG1-CG2 3.9Å; V42-T83 WeakPolarHBondContact CG1-O 3.32Å; E81-T83 PolarHBondContact O-N 3.44Å; E81-T83 PolarHBondContact O-OG1 2.94Å; T83-F88 HydrophobicContact CG2-CB 3.91Å; T83-L116 HydrophobicContact CG2-CD1 3.96Å; T83-L116 HydrophobicContact CG2-CD2 3.74Å; T83-L116 HydrophobicContact CG2-CG 4.37Å
84	R	94.3	Very high	92.3	Very high	66 Å²	66	60.8 Å²	60.8	25%	0.249	29%	0.294	C	S	.	.			trans	-73.3	133.5	173.5	-174.7	170.5	-73.2	133.3	-6.5	110.5	E86 A87 F88 E108 D112	R84-E86 HydrophobicContact CG-CB 4.33Å; R84-E86 PolarHBondContact O-N 3.47Å; R84-A87 HydrophobicContact CB-CB 4.39Å; R84-A87 PolarHBondContact O-N 2.95Å; R84-F88 PolarHBondContact O-N 3.39Å; R84-E108 PolarHBondContact NH1-O 3.18Å; R84-D112 WeakPolarHBondContact CB-OD2 3.32Å; R84-D112 IonicContact CZ-OD2 2.78Å; R84-D112 VanDerWaalsContact CZ-OD2 3.24Å; R84-D112 IonicContact NE-OD2 3.84Å; R84-D112 IonicContact NH1-OD1 2.72Å; R84-D112 IonicContact NH1-OD2 3.19Å; R84-D112 PolarHBondContact NH1-OD2 3.34Å
85	A	94.8	Very high	93.2	Very high	2 Å²	2	55.8 Å²	55.8	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-61.2	-34	-176	0	0	0	0	0	112.9	V42 E43 K45 F47 S89	V42-A85 HydrophobicContact CG1-CB 4.31Å; E43-A85 HydrophobicContact CB-CB 4.35Å; E43-A85 VanDerWaalsContact OE2-CB 3.31Å; E43-A85 WeakPolarHBondContact OE2-CB 3.4Å; E43-A85 PolarHBondContact OE2-N 3.44Å; K45-A85 HydrophobicContact CD-CB 3.84Å; F47-A85 HydrophobicContact CE2-CB 4.14Å; F47-A85 HydrophobicContact CZ-CB 3.98Å; A85-S89 WeakPolarHBondContact O-CB 3.3Å; A85-S89 PolarHBondContact O-N 3.47Å
86	E	94.7	Very high	93.7	Very high	91 Å²	91	47.9 Å²	47.9	43%	0.425	22%	0.224	S	C	.	.	H	α-helix	trans	-66.1	-47.1	177.5	-166	177.6	174.6	0	0	112	R84 F88 S89 M90 V109	R84-E86 HydrophobicContact CG-CB 4.33Å; R84-E86 PolarHBondContact O-N 3.47Å; E86-F88 PolarHBondContact O-N 3.06Å; E86-S89 WeakPolarHBondContact O-CB 3.44Å; E86-S89 PolarHBondContact O-N 2.93Å; E86-M90 WeakPolarHBondContact O-CG 3.24Å; E86-M90 PolarHBondContact O-N 2.87Å; E86-V109 HydrophobicContact CB-CG1 4.11Å; E86-V109 HydrophobicContact CG-CG1 3.88Å; E86-V109 HydrophobicContact CG-CG2 4.45Å; E86-V109 WeakPolarHBondContact OE2-CG2 3.34Å
87	A	95.9	Very high	94	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-40.9	176.9	0	0	0	0	0	111.5	R84 M90 L91 V109 D112 F113 L116	R84-A87 HydrophobicContact CB-CB 4.39Å; R84-A87 PolarHBondContact O-N 2.95Å; A87-M90 PolarHBondContact O-N 3.48Å; A87-L91 PolarHBondContact O-N 3.48Å; A87-V109 HydrophobicContact CB-CG1 4.19Å; A87-D112 HydrophobicContact CB-CB 3.63Å; A87-F113 HydrophobicContact CB-CB 4.3Å; A87-L116 HydrophobicContact CB-CD1 3.93Å
88	F	96.4	Very high	94	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-64.6	-39.4	174.5	-173.5	-106.3	0	0	0	112.4	F40 V42 F47 F61 L80 T83 R84 E86 M90 L91 L92 L116	F40-F88 HydrophobicContact CB-CE1 3.74Å; F40-F88 HydrophobicContact CB-CZ 3.81Å; F40-F88 AromaticContact CD1-CZ 3.99Å; F40-F88 HydrophobicContact CD1-CZ 3.99Å; F40-F88 HydrophobicContact CD2-CE1 4.38Å; F40-F88 AromaticContact CD2-CZ 3.95Å; F40-F88 HydrophobicContact CD2-CZ 3.95Å; F40-F88 HydrophobicContact CG-CE1 4.06Å; F40-F88 AromaticContact CG-CZ 3.63Å; F40-F88 HydrophobicContact CG-CZ 3.63Å; V42-F88 HydrophobicContact CG1-CB 4.32Å; V42-F88 HydrophobicContact CG2-CB 4.36Å; V42-F88 HydrophobicContact CG2-CD1 3.71Å; V42-F88 HydrophobicContact CG2-CE1 4.13Å; V42-F88 HydrophobicContact CG2-CG 3.97Å; F47-F88 HydrophobicContact CB-CD1 4.43Å; F47-F88 HydrophobicContact CB-CE1 3.95Å; F47-F88 HydrophobicContact CD1-CD1 4.18Å; F47-F88 HydrophobicContact CD1-CE1 4.43Å; F47-F88 HydrophobicContact CD2-CD1 4.07Å; F47-F88 HydrophobicContact CD2-CE1 4.33Å; F47-F88 HydrophobicContact CE1-CD1 4.47Å; F47-F88 HydrophobicContact CE2-CD1 4.37Å; F47-F88 AromaticContact CG-CD1 3.97Å; F47-F88 HydrophobicContact CG-CD1 3.97Å; F47-F88 AromaticContact CG-CE1 4Å; F47-F88 HydrophobicContact CG-CE1 4Å; F61-F88 HydrophobicContact CZ-CE2 4.33Å; L80-F88 HydrophobicContact CD1-CD2 3.58Å; L80-F88 HydrophobicContact CD1-CE1 4.46Å; L80-F88 HydrophobicContact CD1-CE2 3.26Å; L80-F88 HydrophobicContact CD1-CG 4.31Å; L80-F88 HydrophobicContact CD1-CZ 3.75Å; T83-F88 HydrophobicContact CG2-CB 3.91Å; R84-F88 PolarHBondContact O-N 3.39Å; E86-F88 PolarHBondContact O-N 3.06Å; F88-M90 VanDerWaalsContact C-N 3.33Å; F88-M90 PolarHBondContact O-N 3.45Å; F88-L91 HydrophobicContact CD2-CD2 4.29Å; F88-L91 HydrophobicContact CE2-CD2 4.4Å; F88-L91 WeakPolarHBondContact O-CB 3.46Å; F88-L91 PolarHBondContact O-N 3.14Å; F88-L92 WeakPolarHBondContact O-CB 3.31Å; F88-L92 PolarHBondContact O-N 3.31Å; F88-L116 HydrophobicContact CB-CD1 4.48Å
89	S	95.1	Very high	94	Very high	46 Å²	46	51.2 Å²	51.2	32%	0.322	24%	0.241	S	C	.	.	H	α-helix	trans	-61.9	-41	175.1	-168.9	0	0	0	0	111.9	A85 E86 L91 L92 N93	A85-S89 WeakPolarHBondContact O-CB 3.3Å; A85-S89 PolarHBondContact O-N 3.47Å; E86-S89 WeakPolarHBondContact O-CB 3.44Å; E86-S89 PolarHBondContact O-N 2.93Å; S89-L91 VanDerWaalsContact C-N 3.35Å; S89-L92 PolarHBondContact O-N 3.14Å; S89-N93 WeakPolarHBondContact O-CB 3.49Å; S89-N93 PolarHBondContact O-N 2.82Å
90	M	95.6	Very high	93.9	Very high	27 Å²	27	44.7 Å²	44.7	13%	0.133	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-43.6	174.2	-70.8	176.2	61.9	0	0	111.5	E86 A87 F88 N93 Y94 L102 A105 V109 L110 F113	E86-M90 WeakPolarHBondContact O-CG 3.24Å; E86-M90 PolarHBondContact O-N 2.87Å; A87-M90 PolarHBondContact O-N 3.48Å; F88-M90 VanDerWaalsContact C-N 3.33Å; F88-M90 PolarHBondContact O-N 3.45Å; M90-N93 PolarHBondContact O-N 2.99Å; M90-Y94 PolarHBondContact O-N 2.93Å; M90-L102 HydrophobicContact CE-CD2 4.21Å; M90-A105 HydrophobicContact CE-CB 4.06Å; M90-A105 HydrophobicContact SD-CB 3.99Å; M90-V109 HydrophobicContact SD-CG1 3.8Å; M90-L110 HydrophobicContact CE-CD2 4.43Å; M90-F113 HydrophobicContact CB-CD2 3.75Å; M90-F113 HydrophobicContact CB-CE2 3.71Å; M90-F113 HydrophobicContact CB-CZ 4.48Å; M90-F113 HydrophobicContact CE-CD1 4.26Å; M90-F113 HydrophobicContact CE-CD2 4.45Å; M90-F113 HydrophobicContact CE-CE1 4.45Å; M90-F113 HydrophobicContact CE-CG 4.24Å
91	L	96.5	Very high	93.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.4	-45.7	177	178.1	75.5	0	0	0	111.5	F61 A87 F88 S89 N93 Y94 L95 F113 L116 Y120 L122 L125	F61-L91 HydrophobicContact CE2-CD2 4.44Å; A87-L91 PolarHBondContact O-N 3.48Å; F88-L91 HydrophobicContact CD2-CD2 4.29Å; F88-L91 HydrophobicContact CE2-CD2 4.4Å; F88-L91 WeakPolarHBondContact O-CB 3.46Å; F88-L91 PolarHBondContact O-N 3.14Å; S89-L91 VanDerWaalsContact C-N 3.35Å; L91-N93 VanDerWaalsContact C-N 3.32Å; L91-N93 PolarHBondContact O-N 3.15Å; L91-Y94 WeakPolarHBondContact O-CB 3.35Å; L91-Y94 PolarHBondContact O-N 3.36Å; L91-Y94 VanDerWaalsContact O-N 3.15Å; L91-L95 HydrophobicContact CD2-CD1 4.44Å; L91-L95 HydrophobicContact CG-CD1 4.12Å; L91-L95 HydrophobicContact CG-CG 4.45Å; L91-L95 WeakPolarHBondContact O-CG 3.48Å; L91-L95 PolarHBondContact O-N 2.86Å; L91-F113 HydrophobicContact CB-CD2 4.35Å; L91-F113 HydrophobicContact CB-CE2 4.07Å; L91-L116 HydrophobicContact CB-CD1 4.44Å; L91-L116 HydrophobicContact CD2-CB 4.23Å; L91-L116 HydrophobicContact CD2-CD1 4.43Å; L91-Y120 HydrophobicContact CD2-CD2 3.43Å; L91-Y120 VanDerWaalsContact CD2-CD2 3.43Å; L91-Y120 HydrophobicContact CD2-CE2 3.43Å; L91-Y120 VanDerWaalsContact CD2-CE2 3.43Å; L91-L122 HydrophobicContact CD1-CD1 3.42Å; L91-L122 VanDerWaalsContact CD1-CD1 3.42Å; L91-L125 HydrophobicContact CD1-CD2 3.85Å
92	L	95.9	Very high	94.1	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-44.8	179.6	-166.7	65.3	0	0	0	110.5	V30 V31 F47 A49 L54 F88 S89 Y94 L95 Y96	V30-L92 HydrophobicContact CG1-CD2 4.44Å; V30-L92 HydrophobicContact CG1-CG 4.5Å; V31-L92 HydrophobicContact CG2-CD2 4.08Å; F47-L92 HydrophobicContact CB-CD2 4.49Å; F47-L92 HydrophobicContact CD1-CD2 4.43Å; A49-L92 HydrophobicContact CB-CD1 4.23Å; L54-L92 HydrophobicContact CD2-CD1 3.74Å; F88-L92 WeakPolarHBondContact O-CB 3.31Å; F88-L92 PolarHBondContact O-N 3.31Å; S89-L92 PolarHBondContact O-N 3.14Å; L92-Y94 VanDerWaalsContact C-N 3.31Å; L92-Y94 PolarHBondContact O-N 2.91Å; L92-L95 PolarHBondContact O-N 3Å; L92-Y96 HydrophobicContact CD1-CD2 4.25Å; L92-Y96 HydrophobicContact CD1-CE2 3.66Å; L92-Y96 HydrophobicContact CG-CD2 4.33Å; L92-Y96 HydrophobicContact CG-CE2 4.01Å; L92-Y96 WeakPolarHBondContact O-CD2 3.11Å; L92-Y96 PolarHBondContact O-N 2.96Å
93	N	95.3	Very high	94.1	Very high	65 Å²	65	36.9 Å²	36.9	35%	0.348	21%	0.208	S	C	.	.	H	α-helix	trans	-58.7	-43.4	174.7	-171.6	24	0	0	0	111.8	S89 M90 L91 L95 Y96 T97	S89-N93 WeakPolarHBondContact O-CB 3.49Å; S89-N93 PolarHBondContact O-N 2.82Å; M90-N93 PolarHBondContact O-N 2.99Å; L91-N93 VanDerWaalsContact C-N 3.32Å; L91-N93 PolarHBondContact O-N 3.15Å; N93-L95 PolarHBondContact O-N 2.85Å; N93-Y96 PolarHBondContact O-N 3.35Å; N93-T97 WeakPolarHBondContact O-CB 3.27Å; N93-T97 WeakPolarHBondContact O-CG2 3.43Å; N93-T97 PolarHBondContact O-N 2.6Å; N93-T97 PolarHBondContact O-OG1 3.02Å; N93-T97 WeakPolarHBondContact OD1-CG2 3.41Å
94	Y	96.5	Very high	93.7	Very high	39 Å²	39	41 Å²	41	15%	0.153	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-41.4	175.7	174.3	-96.2	0	0	0	112.8	M90 L91 L92 Y96 G98 R99 A100 L125	M90-Y94 PolarHBondContact O-N 2.93Å; L91-Y94 WeakPolarHBondContact O-CB 3.35Å; L91-Y94 PolarHBondContact O-N 3.36Å; L91-Y94 VanDerWaalsContact O-N 3.15Å; L92-Y94 VanDerWaalsContact C-N 3.31Å; L92-Y94 PolarHBondContact O-N 2.91Å; Y94-Y96 VanDerWaalsContact C-N 3.28Å; Y94-Y96 PolarHBondContact O-N 2.86Å; Y94-G98 WeakPolarHBondContact O-CA 3.46Å; Y94-G98 PolarHBondContact O-N 2.96Å; Y94-R99 WeakPolarHBondContact CA-O 3.19Å; Y94-A100 HydrophobicContact CD2-CB 4.32Å; Y94-L125 HydrophobicContact CD1-CD1 4.17Å; Y94-L125 HydrophobicContact CD1-CD2 3.76Å; Y94-L125 HydrophobicContact CD1-CG 4.37Å; Y94-L125 HydrophobicContact CD2-CD1 3.67Å; Y94-L125 HydrophobicContact CE1-CB 3.9Å; Y94-L125 HydrophobicContact CE1-CD1 4.2Å; Y94-L125 HydrophobicContact CE1-CD2 3.98Å; Y94-L125 HydrophobicContact CE1-CG 4.25Å; Y94-L125 HydrophobicContact CE2-CB 4.42Å; Y94-L125 HydrophobicContact CE2-CD1 3.69Å; Y94-L125 HydrophobicContact CG-CD1 3.9Å; Y94-L125 HydrophobicContact CG-CD2 4.15Å
95	L	96.8	Very high	93.5	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-64.3	-33.8	179.7	-71.2	172	0	0	0	112.1	L54 R57 C58 F61 L91 L92 N93 L122	L54-L95 HydrophobicContact CD2-CB 4.12Å; L54-L95 HydrophobicContact CD2-CD1 3.66Å; R57-L95 HydrophobicContact CB-CD2 3.91Å; R57-L95 WeakPolarHBondContact CG-O 3.48Å; C58-L95 HydrophobicContact CB-CD2 4.08Å; F61-L95 HydrophobicContact CD2-CD1 3.98Å; F61-L95 HydrophobicContact CE2-CD1 3.68Å; L91-L95 HydrophobicContact CD2-CD1 4.44Å; L91-L95 HydrophobicContact CG-CD1 4.12Å; L91-L95 HydrophobicContact CG-CG 4.45Å; L91-L95 WeakPolarHBondContact O-CG 3.48Å; L91-L95 PolarHBondContact O-N 2.86Å; L92-L95 PolarHBondContact O-N 3Å; N93-L95 PolarHBondContact O-N 2.85Å; L95-L122 HydrophobicContact CD2-CD1 4.1Å; L95-L122 HydrophobicContact CD2-CD2 4.2Å
96	Y	95.8	Very high	93.2	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.012	25%	0.254	C	S	.	.	H	α-helix	trans	-82.2	-41.4	178.7	-79.8	-116.2	0	0	0	112.7	L26 L29 V30 A49 H50 I53 L54 L92 N93 Y94	L26-Y96 WeakPolarHBondContact O-CD1 3.38Å; L29-Y96 HydrophobicContact CB-CD1 4.24Å; L29-Y96 HydrophobicContact CB-CE1 3.92Å; V30-Y96 VanDerWaalsContact CG2-CB 3.45Å; V30-Y96 HydrophobicContact CG2-CD1 3.71Å; V30-Y96 HydrophobicContact CG2-CD2 3.97Å; V30-Y96 HydrophobicContact CG2-CE1 4.39Å; V30-Y96 HydrophobicContact CG2-CG 3.44Å; V30-Y96 VanDerWaalsContact CG2-CG 3.44Å; A49-Y96 WeakPolarHBondContact CA-OH 3.43Å; H50-Y96 PolarHBondContact N-OH 2.87Å; H50-Y96 AromaticContact ND1-CE1 3.56Å; H50-Y96 AromaticContact ND1-CZ 3.62Å; H50-Y96 PolarHBondContact ND1-OH 3.47Å; I53-Y96 HydrophobicContact CD1-CD1 3.74Å; I53-Y96 HydrophobicContact CD1-CE1 3.45Å; I53-Y96 VanDerWaalsContact CD1-CE1 3.45Å; I53-Y96 HydrophobicContact CG2-CD1 4.16Å; I53-Y96 HydrophobicContact CG2-CD2 4.04Å; I53-Y96 HydrophobicContact CG2-CE1 4.31Å; I53-Y96 HydrophobicContact CG2-CE2 4.19Å; I53-Y96 HydrophobicContact CG2-CG 4.06Å; L54-Y96 HydrophobicContact CD2-CE2 4.06Å; L92-Y96 HydrophobicContact CD1-CD2 4.25Å; L92-Y96 HydrophobicContact CD1-CE2 3.66Å; L92-Y96 HydrophobicContact CG-CD2 4.33Å; L92-Y96 HydrophobicContact CG-CE2 4.01Å; L92-Y96 WeakPolarHBondContact O-CD2 3.11Å; L92-Y96 PolarHBondContact O-N 2.96Å; N93-Y96 PolarHBondContact O-N 3.35Å; Y94-Y96 VanDerWaalsContact C-N 3.28Å; Y94-Y96 PolarHBondContact O-N 2.86Å
97	T	94.9	Very high	92.9	Very high	19 Å²	19	44 Å²	44	12%	0.117	25%	0.25	C	S	.	.	H	α-helix	trans	-105.4	-19.8	-168.2	67.6	0	0	0	0	113.7	S23 N93 R99	S23-T97 PolarHBondContact OG-O 2.99Å; N93-T97 WeakPolarHBondContact O-CB 3.27Å; N93-T97 WeakPolarHBondContact O-CG2 3.43Å; N93-T97 PolarHBondContact O-N 2.6Å; N93-T97 PolarHBondContact O-OG1 3.02Å; N93-T97 WeakPolarHBondContact OD1-CG2 3.41Å; T97-R99 PolarHBondContact O-N 3.39Å; T97-R99 PolarHBondContact OG1-N 3.31Å; T97-R99 PolarHBondContact OG1-O 2.99Å
98	G	93.4	Very high	92.5	Very high	34 Å²	34	48.6 Å²	48.6	35%	0.351	27%	0.271	S	S	.	.	S	Bend	trans	70	13	-166.3	0	0	0	0	0	114	Y94	Y94-G98 WeakPolarHBondContact O-CA 3.46Å; Y94-G98 PolarHBondContact O-N 2.96Å
99	R	91.8	Very high	92.4	Very high	133 Å²	133	48.5 Å²	48.5	50%	0.502	27%	0.271	S	S	.	.			trans	-121.1	141.3	-178.8	-59.7	-175.4	178.6	-153.6	-0.1	111.3	H20 Y94 T97	H20-R99 PolarHBondContact CE1-NH2 3.45Å; H20-R99 PolarHBondContact ND1-NH2 2.95Å; H20-R99 PolarHBondContact NE2-NH2 3.05Å; Y94-R99 WeakPolarHBondContact CA-O 3.19Å; T97-R99 PolarHBondContact O-N 3.39Å; T97-R99 PolarHBondContact OG1-N 3.31Å; T97-R99 PolarHBondContact OG1-O 2.99Å
100	A	92.3	Very high	92.4	Very high	39 Å²	39	46.4 Å²	46.4	32%	0.322	26%	0.256	S	S	.	.			trans	-138.1	138.6	170.9	0	0	0	0	0	109.2	Y94 L102 F113 L125	Y94-A100 HydrophobicContact CD2-CB 4.32Å; A100-L102 HydrophobicContact CB-CD2 4.32Å; A100-F113 HydrophobicContact CB-CE1 4.27Å; A100-F113 HydrophobicContact CB-CZ 3.87Å; A100-L125 HydrophobicContact CB-CD1 4.41Å
101	S	90.5	Very high	92.3	Very high	68 Å²	68	46 Å²	46	48%	0.476	26%	0.255	S	S	.	.			trans	-101.1	106.7	174.7	178.3	0	0	0	0	109	S104	S101-S104 PolarHBondContact OG-OG 3.4Å; S101-S104 VanDerWaalsContact OG-OG 3.06Å
102	L	91.7	Very high	92.3	Very high	26 Å²	26	48.7 Å²	48.7	14%	0.136	27%	0.269	C	S	.	.			trans	-87.8	-32.5	-176.3	-54	-178.5	0	0	0	112.4	M90 A100 S104 A105 L110 F113 F132	M90-L102 HydrophobicContact CE-CD2 4.21Å; A100-L102 HydrophobicContact CB-CD2 4.32Å; L102-S104 PolarHBondContact O-N 2.75Å; L102-A105 PolarHBondContact O-N 2.72Å; L102-L110 HydrophobicContact CB-CD2 3.94Å; L102-L110 HydrophobicContact CD2-CD2 3.88Å; L102-L110 HydrophobicContact CG-CD2 4.48Å; L102-F113 HydrophobicContact CD2-CD1 4Å; L102-F113 HydrophobicContact CD2-CE1 3.67Å; L102-F132 HydrophobicContact CB-CD1 3.58Å; L102-F132 HydrophobicContact CB-CD2 4.31Å; L102-F132 HydrophobicContact CB-CE1 3.72Å; L102-F132 HydrophobicContact CB-CE2 4.44Å; L102-F132 HydrophobicContact CB-CG 3.89Å; L102-F132 HydrophobicContact CB-CZ 4.16Å; L102-F132 HydrophobicContact CD1-CB 3.55Å; L102-F132 HydrophobicContact CD1-CD1 3.99Å; L102-F132 HydrophobicContact CD1-CG 3.77Å; L102-F132 HydrophobicContact CG-CD1 4.42Å; L102-F132 HydrophobicContact CG-CG 4.5Å
103	S	87.9	Confident	92.3	Very high	101 Å²	101	48.6 Å²	48.6	71%	0.706	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-20	-173.8	56.9	0	0	0	0	115
104	S	82.5	Confident	92.3	Very high	95 Å²	95	45.5 Å²	45.5	66%	0.664	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-11.7	-179	51.9	0	0	0	0	113.5	S101 L102	S101-S104 PolarHBondContact OG-OG 3.4Å; S101-S104 VanDerWaalsContact OG-OG 3.06Å; L102-S104 PolarHBondContact O-N 2.75Å
105	A	88.6	Confident	92.3	Very high	16 Å²	16	43.9 Å²	43.9	13%	0.132	25%	0.247	C	C	.	.	S	Bend	trans	-87.9	147.1	-174.4	0	0	0	0	0	111.3	M90 L102 V109 L110	M90-A105 HydrophobicContact CE-CB 4.06Å; M90-A105 HydrophobicContact SD-CB 3.99Å; L102-A105 PolarHBondContact O-N 2.72Å; A105-V109 HydrophobicContact CB-CB 4.46Å; A105-V109 HydrophobicContact CB-CG1 4.41Å; A105-L110 HydrophobicContact CB-CD2 3.78Å; A105-L110 HydrophobicContact CB-CG 3.84Å
106	R	89.5	Confident	92.3	Very high	132 Å²	132	44 Å²	44	50%	0.498	25%	0.247	S	C	.	.			trans	-68.4	153.1	169.6	-61.3	-172.5	-61	120	7	109.8	E108 V109 L110	R106-E108 VanDerWaalsContact C-N 3.35Å; R106-E108 IonicContact CZ-OE2 2.88Å; R106-E108 IonicContact NH1-OE2 3.6Å; R106-E108 PolarHBondContact NH1-OE2 3Å; R106-E108 IonicContact NH2-OE2 3.58Å; R106-E108 PolarHBondContact O-N 3.01Å; R106-V109 HydrophobicContact CB-CG2 4.19Å; R106-V109 WeakPolarHBondContact O-CA 3.5Å; R106-V109 WeakPolarHBondContact O-CB 3.43Å; R106-V109 PolarHBondContact O-N 3.25Å; R106-L110 PolarHBondContact O-N 3.01Å
107	E	87.3	Confident	92.3	Very high	75 Å²	75	43.9 Å²	43.9	35%	0.35	25%	0.247	S	C	.	.	H	α-helix	trans	-57.2	-44.6	-175.9	-59.7	-176.2	149.4	0	0	113	V109 L110 L111 H138 N141	E107-V109 PolarHBondContact O-N 2.92Å; E107-L110 WeakPolarHBondContact O-CB 3.34Å; E107-L110 PolarHBondContact O-N 2.9Å; E107-L110 VanDerWaalsContact O-N 3.08Å; E107-L111 WeakPolarHBondContact O-CG 3.44Å; E107-L111 PolarHBondContact O-N 2.99Å; E107-H138 IonicContact OE1-CE1 3.24Å; E107-H138 PolarHBondContact OE1-CE1 3.17Å; E107-H138 VanDerWaalsContact OE1-CE1 3.24Å; E107-H138 IonicContact OE1-ND1 3.98Å; E107-N141 PolarHBondContact OE1-ND2 3.25Å; E107-N141 WeakPolarHBondContact OE2-CB 3.47Å
108	E	89.3	Confident	92.4	Very high	96 Å²	96	46.5 Å²	46.5	45%	0.449	26%	0.258	S	S	.	.	H	α-helix	trans	-57.3	-36.7	175.9	-58.6	168.4	173.6	0	0	112.3	R84 R106 D112	R84-E108 PolarHBondContact NH1-O 3.18Å; R106-E108 VanDerWaalsContact C-N 3.35Å; R106-E108 IonicContact CZ-OE2 2.88Å; R106-E108 IonicContact NH1-OE2 3.6Å; R106-E108 PolarHBondContact NH1-OE2 3Å; R106-E108 IonicContact NH2-OE2 3.58Å; R106-E108 PolarHBondContact O-N 3.01Å; E108-D112 PolarHBondContact O-N 2.64Å; E108-D112 VanDerWaalsContact O-N 3.09Å
109	V	93.7	Very high	92.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-73.1	-37.3	179.2	-178.7	0	0	0	0	110.2	E86 A87 M90 A105 R106 E107 D112 F113	E86-V109 HydrophobicContact CB-CG1 4.11Å; E86-V109 HydrophobicContact CG-CG1 3.88Å; E86-V109 HydrophobicContact CG-CG2 4.45Å; E86-V109 WeakPolarHBondContact OE2-CG2 3.34Å; A87-V109 HydrophobicContact CB-CG1 4.19Å; M90-V109 HydrophobicContact SD-CG1 3.8Å; A105-V109 HydrophobicContact CB-CB 4.46Å; A105-V109 HydrophobicContact CB-CG1 4.41Å; R106-V109 HydrophobicContact CB-CG2 4.19Å; R106-V109 WeakPolarHBondContact O-CA 3.5Å; R106-V109 WeakPolarHBondContact O-CB 3.43Å; R106-V109 PolarHBondContact O-N 3.25Å; E107-V109 PolarHBondContact O-N 2.92Å; V109-D112 PolarHBondContact O-N 2.91Å; V109-F113 WeakPolarHBondContact O-CB 3.4Å; V109-F113 PolarHBondContact O-N 3.12Å
110	L	94.8	Very high	92.6	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-65.3	-39.7	175.3	-70.9	172.8	0	0	0	112.2	M90 L102 A105 R106 E107 F113 L114 F132 L133 I136	M90-L110 HydrophobicContact CE-CD2 4.43Å; L102-L110 HydrophobicContact CB-CD2 3.94Å; L102-L110 HydrophobicContact CD2-CD2 3.88Å; L102-L110 HydrophobicContact CG-CD2 4.48Å; A105-L110 HydrophobicContact CB-CD2 3.78Å; A105-L110 HydrophobicContact CB-CG 3.84Å; R106-L110 PolarHBondContact O-N 3.01Å; E107-L110 WeakPolarHBondContact O-CB 3.34Å; E107-L110 PolarHBondContact O-N 2.9Å; E107-L110 VanDerWaalsContact O-N 3.08Å; L110-F113 PolarHBondContact O-N 3.32Å; L110-L114 WeakPolarHBondContact O-CB 3.43Å; L110-L114 PolarHBondContact O-N 2.89Å; L110-F132 HydrophobicContact CD1-CD1 4.22Å; L110-F132 HydrophobicContact CD1-CE1 3.75Å; L110-L133 HydrophobicContact CB-CD2 4.35Å; L110-I136 HydrophobicContact CD1-CD1 4.22Å
111	L	94.4	Very high	92.7	Very high	19 Å²	19	45.5 Å²	45.5	10%	0.099	25%	0.254	C	S	.	.	H	α-helix	trans	-67.6	-42	176.5	-67.2	176.9	0	0	0	111.8	E107 F113 L114 G115 L133 L144 V145 V148	E107-L111 WeakPolarHBondContact O-CG 3.44Å; E107-L111 PolarHBondContact O-N 2.99Å; L111-F113 VanDerWaalsContact C-N 3.32Å; L111-F113 PolarHBondContact O-N 3.02Å; L111-L114 WeakPolarHBondContact O-CB 3.38Å; L111-L114 PolarHBondContact O-N 2.98Å; L111-G115 PolarHBondContact O-N 3.38Å; L111-L133 HydrophobicContact CD2-CD1 4.13Å; L111-L133 HydrophobicContact CD2-CD2 4.42Å; L111-L144 HydrophobicContact CD1-CB 4.18Å; L111-V145 HydrophobicContact CD2-CG2 4.25Å; L111-V148 HydrophobicContact CB-CG2 4.3Å; L111-V148 HydrophobicContact CD1-CG2 4.16Å; L111-V148 HydrophobicContact CD2-CB 4.11Å; L111-V148 HydrophobicContact CD2-CG1 4.16Å; L111-V148 HydrophobicContact CD2-CG2 4.12Å; L111-V148 HydrophobicContact CG-CG2 4.42Å
112	D	94.8	Very high	93	Very high	57 Å²	57	42.9 Å²	42.9	31%	0.305	24%	0.235	S	C	.	.	H	α-helix	trans	-62.3	-41.6	171.8	-73.6	-7	0	0	0	111.7	R84 A87 E108 V109 G115 L116	R84-D112 WeakPolarHBondContact CB-OD2 3.32Å; R84-D112 IonicContact CZ-OD2 2.78Å; R84-D112 VanDerWaalsContact CZ-OD2 3.24Å; R84-D112 IonicContact NE-OD2 3.84Å; R84-D112 IonicContact NH1-OD1 2.72Å; R84-D112 IonicContact NH1-OD2 3.19Å; R84-D112 PolarHBondContact NH1-OD2 3.34Å; A87-D112 HydrophobicContact CB-CB 3.63Å; E108-D112 PolarHBondContact O-N 2.64Å; E108-D112 VanDerWaalsContact O-N 3.09Å; V109-D112 PolarHBondContact O-N 2.91Å; D112-G115 CarbonylContact O-C 3.56Å; D112-G115 WeakPolarHBondContact O-CA 3.22Å; D112-G115 PolarHBondContact O-N 3.28Å; D112-G115 VanDerWaalsContact O-N 3.14Å; D112-L116 WeakPolarHBondContact O-CG 3.2Å; D112-L116 PolarHBondContact O-N 2.83Å
113	F	96.3	Very high	93.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-41.7	178.7	180	-111.1	0	0	0	111.7	A87 M90 L91 A100 L102 V109 L110 L111 G115 L116 A117 L125 T129	A87-F113 HydrophobicContact CB-CB 4.3Å; M90-F113 HydrophobicContact CB-CD2 3.75Å; M90-F113 HydrophobicContact CB-CE2 3.71Å; M90-F113 HydrophobicContact CB-CZ 4.48Å; M90-F113 HydrophobicContact CE-CD1 4.26Å; M90-F113 HydrophobicContact CE-CD2 4.45Å; M90-F113 HydrophobicContact CE-CE1 4.45Å; M90-F113 HydrophobicContact CE-CG 4.24Å; L91-F113 HydrophobicContact CB-CD2 4.35Å; L91-F113 HydrophobicContact CB-CE2 4.07Å; A100-F113 HydrophobicContact CB-CE1 4.27Å; A100-F113 HydrophobicContact CB-CZ 3.87Å; L102-F113 HydrophobicContact CD2-CD1 4Å; L102-F113 HydrophobicContact CD2-CE1 3.67Å; V109-F113 WeakPolarHBondContact O-CB 3.4Å; V109-F113 PolarHBondContact O-N 3.12Å; L110-F113 PolarHBondContact O-N 3.32Å; L111-F113 VanDerWaalsContact C-N 3.32Å; L111-F113 PolarHBondContact O-N 3.02Å; F113-G115 VanDerWaalsContact C-N 3.35Å; F113-L116 PolarHBondContact O-N 3.08Å; F113-A117 PolarHBondContact O-N 3.09Å; F113-L125 HydrophobicContact CE1-CD1 3.68Å; F113-L125 HydrophobicContact CE1-CD2 4.16Å; F113-L125 HydrophobicContact CE1-CG 4.06Å; F113-L125 HydrophobicContact CE2-CD2 4.04Å; F113-L125 HydrophobicContact CZ-CD1 3.5Å; F113-L125 VanDerWaalsContact CZ-CD1 3.5Å; F113-L125 HydrophobicContact CZ-CD2 3.61Å; F113-L125 HydrophobicContact CZ-CG 3.91Å; F113-T129 HydrophobicContact CD1-CG2 4.22Å
114	L	96.7	Very high	93.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.5	-45.5	169.6	176.3	62.5	0	0	0	111.1	L110 L111 L116 A117 H118 E126 T129 L133 V148 L154 L157	L110-L114 WeakPolarHBondContact O-CB 3.43Å; L110-L114 PolarHBondContact O-N 2.89Å; L111-L114 WeakPolarHBondContact O-CB 3.38Å; L111-L114 PolarHBondContact O-N 2.98Å; L114-L116 VanDerWaalsContact C-N 3.3Å; L114-L116 PolarHBondContact O-N 3.34Å; L114-A117 WeakPolarHBondContact O-CB 3.41Å; L114-A117 PolarHBondContact O-N 3.12Å; L114-A117 VanDerWaalsContact O-N 3.15Å; L114-H118 PolarHBondContact O-N 3.06Å; L114-E126 HydrophobicContact CD1-CB 4.46Å; L114-E126 HydrophobicContact CD1-CG 3.76Å; L114-T129 HydrophobicContact CB-CG2 3.97Å; L114-T129 HydrophobicContact CD1-CG2 4.33Å; L114-L133 HydrophobicContact CD2-CD1 3.72Å; L114-V148 HydrophobicContact CD2-CG1 4.09Å; L114-L154 HydrophobicContact CD1-CD1 4.12Å; L114-L154 HydrophobicContact CD2-CD1 3.77Å; L114-L154 HydrophobicContact CG-CD1 4.19Å; L114-L157 HydrophobicContact CD2-CD2 4.21Å
115	G	95.6	Very high	94.2	Very high	4 Å²	4	41 Å²	41	4%	0.041	21%	0.211	C	C	.	.	H	α-helix	trans	-59.8	-37.7	176.5	0	0	0	0	0	113.4	L111 D112 F113 R119 Y152	L111-G115 PolarHBondContact O-N 3.38Å; D112-G115 CarbonylContact O-C 3.56Å; D112-G115 WeakPolarHBondContact O-CA 3.22Å; D112-G115 PolarHBondContact O-N 3.28Å; D112-G115 VanDerWaalsContact O-N 3.14Å; F113-G115 VanDerWaalsContact C-N 3.35Å; G115-R119 WeakPolarHBondContact O-CB 3.36Å; G115-R119 PolarHBondContact O-N 3.39Å; G115-Y152 VanDerWaalsContact CA-CE2 3.44Å; G115-Y152 WeakPolarHBondContact CA-OH 3.27Å
116	L	96.2	Very high	94.5	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-69.4	-40.6	173.6	-67.6	172.7	0	0	0	112.3	T83 A87 F88 L91 D112 F113 L114 H118 R119 Y120	T83-L116 HydrophobicContact CG2-CD1 3.96Å; T83-L116 HydrophobicContact CG2-CD2 3.74Å; T83-L116 HydrophobicContact CG2-CG 4.37Å; A87-L116 HydrophobicContact CB-CD1 3.93Å; F88-L116 HydrophobicContact CB-CD1 4.48Å; L91-L116 HydrophobicContact CB-CD1 4.44Å; L91-L116 HydrophobicContact CD2-CB 4.23Å; L91-L116 HydrophobicContact CD2-CD1 4.43Å; D112-L116 WeakPolarHBondContact O-CG 3.2Å; D112-L116 PolarHBondContact O-N 2.83Å; F113-L116 PolarHBondContact O-N 3.08Å; L114-L116 VanDerWaalsContact C-N 3.3Å; L114-L116 PolarHBondContact O-N 3.34Å; L116-H118 VanDerWaalsContact C-N 3.31Å; L116-H118 PolarHBondContact O-N 3.41Å; L116-R119 PolarHBondContact O-N 3.48Å; L116-Y120 HydrophobicContact CB-CD2 4.28Å; L116-Y120 HydrophobicContact CB-CE2 4.16Å; L116-Y120 HydrophobicContact CD2-CE2 3.63Å; L116-Y120 HydrophobicContact CG-CE2 4.44Å; L116-Y120 WeakPolarHBondContact O-CB 3.42Å; L116-Y120 WeakPolarHBondContact O-CD2 3.47Å; L116-Y120 PolarHBondContact O-N 3.09Å
117	A	96.6	Very high	94.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.5	-46.5	175.4	0	0	0	0	0	110.8	F113 L114 G121 L122 L125 E126	F113-A117 PolarHBondContact O-N 3.09Å; L114-A117 WeakPolarHBondContact O-CB 3.41Å; L114-A117 PolarHBondContact O-N 3.12Å; L114-A117 VanDerWaalsContact O-N 3.15Å; A117-G121 PolarHBondContact O-N 2.97Å; A117-G121 VanDerWaalsContact O-N 3.16Å; A117-L122 HydrophobicContact CB-CB 4.48Å; A117-L122 PolarHBondContact O-N 2.83Å; A117-L125 HydrophobicContact CB-CB 4.24Å; A117-L125 HydrophobicContact CB-CD2 3.79Å; A117-L125 HydrophobicContact CB-CG 3.98Å; A117-E126 HydrophobicContact CB-CB 4.23Å
118	H	95.9	Very high	95.2	Very high	74 Å²	74	38.6 Å²	38.6	34%	0.343	21%	0.213	S	C	.	.	H	α-helix	trans	-62.8	-55.1	175.9	-174.2	72.2	0	0	0	112.1	L114 L116 Y120 G121 E126 Y152	L114-H118 PolarHBondContact O-N 3.06Å; L116-H118 VanDerWaalsContact C-N 3.31Å; L116-H118 PolarHBondContact O-N 3.41Å; H118-Y120 PolarHBondContact O-N 3.49Å; H118-Y120 VanDerWaalsContact O-N 3.13Å; H118-G121 PolarHBondContact O-N 2.85Å; H118-E126 VanDerWaalsContact CA-OE2 3.27Å; H118-E126 WeakPolarHBondContact CA-OE2 3.42Å; H118-E126 VanDerWaalsContact CB-OE2 3.31Å; H118-E126 WeakPolarHBondContact CB-OE2 3.34Å; H118-E126 IonicContact CG-OE2 2.71Å; H118-E126 IonicContact ND1-OE2 3.37Å; H118-E126 PolarHBondContact ND1-OE2 2.87Å; H118-Y152 HydrophobicContact CB-CG 4.42Å; H118-Y152 AromaticContact CD2-CD1 3.46Å; H118-Y152 VanDerWaalsContact CD2-CD1 3.46Å; H118-Y152 WeakPolarHBondContact CD2-CD1 3.43Å; H118-Y152 AromaticContact CD2-CG 3.86Å; H118-Y152 AromaticContact NE2-CD1 3.97Å
119	R	94.8	Very high	95.5	Very high	116 Å²	116	34 Å²	34	44%	0.438	19%	0.192	S	C	.	.	H	α-helix	trans	-54.5	-36.6	-178.2	-176.9	-176.6	-66.5	-170.4	-2.8	112.7	G115 L116	G115-R119 WeakPolarHBondContact O-CB 3.36Å; G115-R119 PolarHBondContact O-N 3.39Å; L116-R119 PolarHBondContact O-N 3.48Å
120	Y	95.2	Very high	95.7	Very high	9 Å²	9	34.7 Å²	34.7	4%	0.035	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	5.9	-177.9	-56.2	-37.8	0	0	0	114.1	C58 Y60 F61 L91 L116 H118	C58-Y120 PolarHBondContact SG-O 3.24Å; Y60-Y120 AromaticContact CD1-CD1 3.33Å; Y60-Y120 HydrophobicContact CD1-CD1 3.33Å; Y60-Y120 AromaticContact CD1-CE1 3.69Å; Y60-Y120 HydrophobicContact CD1-CE1 3.69Å; Y60-Y120 HydrophobicContact CD1-CG 4.17Å; Y60-Y120 HydrophobicContact CD2-CD1 4.21Å; Y60-Y120 AromaticContact CE1-CD1 3.57Å; Y60-Y120 HydrophobicContact CE1-CD1 3.57Å; Y60-Y120 AromaticContact CE1-CE1 3.39Å; Y60-Y120 HydrophobicContact CE1-CE1 3.39Å; Y60-Y120 HydrophobicContact CE2-CD1 4.39Å; Y60-Y120 AromaticContact CG-CD1 3.69Å; Y60-Y120 HydrophobicContact CG-CD1 3.69Å; Y60-Y120 HydrophobicContact CG-CE1 4.38Å; Y60-Y120 HydrophobicContact CG-CG 4.5Å; Y60-Y120 AromaticContact CZ-CE1 3.86Å; F61-Y120 HydrophobicContact CE2-CD2 4.16Å; F61-Y120 HydrophobicContact CE2-CE2 4.37Å; F61-Y120 HydrophobicContact CE2-CG 4.45Å; F61-Y120 HydrophobicContact CZ-CD2 4.2Å; F61-Y120 AromaticContact CZ-CE2 3.96Å; F61-Y120 HydrophobicContact CZ-CE2 3.96Å; L91-Y120 HydrophobicContact CD2-CD2 3.43Å; L91-Y120 VanDerWaalsContact CD2-CD2 3.43Å; L91-Y120 HydrophobicContact CD2-CE2 3.43Å; L91-Y120 VanDerWaalsContact CD2-CE2 3.43Å; L116-Y120 HydrophobicContact CB-CD2 4.28Å; L116-Y120 HydrophobicContact CB-CE2 4.16Å; L116-Y120 HydrophobicContact CD2-CE2 3.63Å; L116-Y120 HydrophobicContact CG-CE2 4.44Å; L116-Y120 WeakPolarHBondContact O-CB 3.42Å; L116-Y120 WeakPolarHBondContact O-CD2 3.47Å; L116-Y120 PolarHBondContact O-N 3.09Å; H118-Y120 PolarHBondContact O-N 3.49Å; H118-Y120 VanDerWaalsContact O-N 3.13Å
121	G	95.1	Very high	95.7	Very high	61 Å²	61	39.3 Å²	39.3	63%	0.629	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.9	36.1	174.9	0	0	0	0	0	114.1	A117 H118 Q123	A117-G121 PolarHBondContact O-N 2.97Å; A117-G121 VanDerWaalsContact O-N 3.16Å; H118-G121 PolarHBondContact O-N 2.85Å; G121-Q123 PolarHBondContact O-N 3.26Å
122	L	96.6	Very high	95.8	Very high	13 Å²	13	40.8 Å²	40.8	7%	0.068	22%	0.224	C	C	.	.			trans	-94.9	69.2	-178.9	-62.6	172.5	0	0	0	111	C58 L91 L95 A117 L125 E126	C58-L122 HydrophobicContact CB-CD2 4.08Å; L91-L122 HydrophobicContact CD1-CD1 3.42Å; L91-L122 VanDerWaalsContact CD1-CD1 3.42Å; L95-L122 HydrophobicContact CD2-CD1 4.1Å; L95-L122 HydrophobicContact CD2-CD2 4.2Å; A117-L122 HydrophobicContact CB-CB 4.48Å; A117-L122 PolarHBondContact O-N 2.83Å; L122-L125 HydrophobicContact CB-CB 4.12Å; L122-L125 HydrophobicContact CB-CD2 4.5Å; L122-L125 HydrophobicContact CD1-CD2 4.2Å; L122-L125 WeakPolarHBondContact O-CB 3.26Å; L122-L125 PolarHBondContact O-N 2.83Å; L122-E126 PolarHBondContact O-N 2.88Å
123	Q	95.3	Very high	95.8	Very high	93 Å²	93	38.2 Å²	38.2	44%	0.435	21%	0.21	S	C	.	.	H	α-helix	trans	-51.9	-47.3	-172.2	-163.1	64.4	49	0	0	114.7	G121 L125 E126 D127	G121-Q123 PolarHBondContact O-N 3.26Å; Q123-L125 PolarHBondContact O-N 3.17Å; Q123-E126 PolarHBondContact NE2-OE1 3.49Å; Q123-E126 WeakPolarHBondContact O-CB 3.43Å; Q123-E126 PolarHBondContact O-N 3.13Å; Q123-E126 VanDerWaalsContact O-N 3.13Å; Q123-D127 PolarHBondContact NE2-OD1 3.46Å; Q123-D127 PolarHBondContact O-N 3.04Å
124	P	95.3	Very high	95.8	Very high	82 Å²	82	43.2 Å²	43.2	53%	0.532	23%	0.229	S	C	.	.	H	α-helix	trans	-63.4	-29.1	-178.8	-22.7	35.1	0	0	0	113.4	S128	P124-S128 WeakPolarHBondContact O-CB 3.49Å; P124-S128 PolarHBondContact O-N 3.08Å; P124-S128 PolarHBondContact O-OG 2.79Å
125	L	95.9	Very high	95.7	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-76.9	-41.4	176.3	-177.6	68.5	0	0	0	111.1	L91 Y94 A100 F113 A117 L122 Q123 S128 T129	L91-L125 HydrophobicContact CD1-CD2 3.85Å; Y94-L125 HydrophobicContact CD1-CD1 4.17Å; Y94-L125 HydrophobicContact CD1-CD2 3.76Å; Y94-L125 HydrophobicContact CD1-CG 4.37Å; Y94-L125 HydrophobicContact CD2-CD1 3.67Å; Y94-L125 HydrophobicContact CE1-CB 3.9Å; Y94-L125 HydrophobicContact CE1-CD1 4.2Å; Y94-L125 HydrophobicContact CE1-CD2 3.98Å; Y94-L125 HydrophobicContact CE1-CG 4.25Å; Y94-L125 HydrophobicContact CE2-CB 4.42Å; Y94-L125 HydrophobicContact CE2-CD1 3.69Å; Y94-L125 HydrophobicContact CG-CD1 3.9Å; Y94-L125 HydrophobicContact CG-CD2 4.15Å; A100-L125 HydrophobicContact CB-CD1 4.41Å; F113-L125 HydrophobicContact CE1-CD1 3.68Å; F113-L125 HydrophobicContact CE1-CD2 4.16Å; F113-L125 HydrophobicContact CE1-CG 4.06Å; F113-L125 HydrophobicContact CE2-CD2 4.04Å; F113-L125 HydrophobicContact CZ-CD1 3.5Å; F113-L125 VanDerWaalsContact CZ-CD1 3.5Å; F113-L125 HydrophobicContact CZ-CD2 3.61Å; F113-L125 HydrophobicContact CZ-CG 3.91Å; A117-L125 HydrophobicContact CB-CB 4.24Å; A117-L125 HydrophobicContact CB-CD2 3.79Å; A117-L125 HydrophobicContact CB-CG 3.98Å; L122-L125 HydrophobicContact CB-CB 4.12Å; L122-L125 HydrophobicContact CB-CD2 4.5Å; L122-L125 HydrophobicContact CD1-CD2 4.2Å; L122-L125 WeakPolarHBondContact O-CB 3.26Å; L122-L125 PolarHBondContact O-N 2.83Å; Q123-L125 PolarHBondContact O-N 3.17Å; L125-S128 PolarHBondContact O-N 2.72Å; L125-T129 WeakPolarHBondContact O-CB 3.16Å; L125-T129 PolarHBondContact O-N 2.85Å; L125-T129 PolarHBondContact O-OG1 2.92Å
126	E	96.4	Very high	95.6	Very high	14 Å²	14	50.1 Å²	50.1	7%	0.065	27%	0.268	C	S	.	.	H	α-helix	trans	-56.1	-55	172.7	-173.1	-176.3	100.5	0	0	110.1	L114 A117 H118 L122 Q123 S128 T129 C130 L154	L114-E126 HydrophobicContact CD1-CB 4.46Å; L114-E126 HydrophobicContact CD1-CG 3.76Å; A117-E126 HydrophobicContact CB-CB 4.23Å; H118-E126 VanDerWaalsContact CA-OE2 3.27Å; H118-E126 WeakPolarHBondContact CA-OE2 3.42Å; H118-E126 VanDerWaalsContact CB-OE2 3.31Å; H118-E126 WeakPolarHBondContact CB-OE2 3.34Å; H118-E126 IonicContact CG-OE2 2.71Å; H118-E126 IonicContact ND1-OE2 3.37Å; H118-E126 PolarHBondContact ND1-OE2 2.87Å; L122-E126 PolarHBondContact O-N 2.88Å; Q123-E126 PolarHBondContact NE2-OE1 3.49Å; Q123-E126 WeakPolarHBondContact O-CB 3.43Å; Q123-E126 PolarHBondContact O-N 3.13Å; Q123-E126 VanDerWaalsContact O-N 3.13Å; E126-S128 VanDerWaalsContact C-N 3.34Å; E126-S128 PolarHBondContact O-N 3.1Å; E126-T129 PolarHBondContact O-N 3.31Å; E126-T129 VanDerWaalsContact O-N 3.1Å; E126-C130 PolarHBondContact O-N 2.97Å; E126-C130 PolarHBondContact O-SG 3.07Å; E126-L154 HydrophobicContact CG-CD2 4.1Å; E126-L154 VanDerWaalsContact OE1-CD2 3.26Å; E126-L154 WeakPolarHBondContact OE1-CD2 3.45Å
127	D	95.4	Very high	95.6	Very high	86 Å²	86	51 Å²	51	46%	0.46	27%	0.272	S	S	.	.	H	α-helix	trans	-55.8	-47	-179.7	-62.6	-20.3	0	0	0	111.9	Q123 T129 C130 E131	Q123-D127 PolarHBondContact NE2-OD1 3.46Å; Q123-D127 PolarHBondContact O-N 3.04Å; D127-T129 VanDerWaalsContact C-N 3.34Å; D127-T129 PolarHBondContact O-N 2.97Å; D127-C130 PolarHBondContact O-N 2.76Å; D127-E131 PolarHBondContact O-N 3.24Å
128	S	95.6	Very high	95.5	Very high	73 Å²	73	54 Å²	54	51%	0.51	29%	0.286	S	S	.	.	H	α-helix	trans	-66.1	-36.5	-179.8	-59.6	0	0	0	0	112.4	P124 L125 E126 F132	P124-S128 WeakPolarHBondContact O-CB 3.49Å; P124-S128 PolarHBondContact O-N 3.08Å; P124-S128 PolarHBondContact O-OG 2.79Å; L125-S128 PolarHBondContact O-N 2.72Å; E126-S128 VanDerWaalsContact C-N 3.34Å; E126-S128 PolarHBondContact O-N 3.1Å; S128-F132 PolarHBondContact O-N 2.92Å; S128-F132 VanDerWaalsContact O-N 3.13Å
129	T	96.2	Very high	95.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-72.6	-41.4	178.6	-53.8	0	0	0	0	110.6	F113 L114 L125 E126 D127 E131 F132 L133	F113-T129 HydrophobicContact CD1-CG2 4.22Å; L114-T129 HydrophobicContact CB-CG2 3.97Å; L114-T129 HydrophobicContact CD1-CG2 4.33Å; L125-T129 WeakPolarHBondContact O-CB 3.16Å; L125-T129 PolarHBondContact O-N 2.85Å; L125-T129 PolarHBondContact O-OG1 2.92Å; E126-T129 PolarHBondContact O-N 3.31Å; E126-T129 VanDerWaalsContact O-N 3.1Å; D127-T129 VanDerWaalsContact C-N 3.34Å; D127-T129 PolarHBondContact O-N 2.97Å; T129-E131 PolarHBondContact O-N 3.46Å; T129-F132 PolarHBondContact O-N 3.02Å; T129-L133 HydrophobicContact CG2-CD1 4.33Å; T129-L133 WeakPolarHBondContact O-CG 3.35Å; T129-L133 PolarHBondContact O-N 3.15Å
130	C	96.6	Very high	95.3	Very high	15 Å²	15	52.2 Å²	52.2	10%	0.101	29%	0.287	C	S	.	.	H	α-helix	trans	-57.9	-47.3	172.4	-70.8	0	0	0	0	111.5	E126 D127 F132 L133 R134 L157	E126-C130 PolarHBondContact O-N 2.97Å; E126-C130 PolarHBondContact O-SG 3.07Å; D127-C130 PolarHBondContact O-N 2.76Å; C130-F132 VanDerWaalsContact C-N 3.32Å; C130-F132 PolarHBondContact O-N 3.14Å; C130-L133 PolarHBondContact O-N 3.06Å; C130-R134 WeakPolarHBondContact O-CG 3.41Å; C130-R134 PolarHBondContact O-N 3.49Å; C130-L157 HydrophobicContact CB-CD2 4.46Å
131	E	95.4	Very high	95.3	Very high	98 Å²	98	51.9 Å²	51.9	46%	0.458	29%	0.286	S	S	.	.	H	α-helix	trans	-61.8	-41.3	179.4	-171.2	58.1	-157.3	0	0	111.6	D127 T129 R134 T135	D127-E131 PolarHBondContact O-N 3.24Å; T129-E131 PolarHBondContact O-N 3.46Å; E131-R134 WeakPolarHBondContact O-CB 3.48Å; E131-R134 PolarHBondContact O-N 3.42Å; E131-R134 IonicContact OE2-CZ 3.58Å; E131-R134 IonicContact OE2-NE 2.6Å; E131-R134 IonicContact OE2-NH1 3.77Å; E131-R134 PolarHBondContact OE2-NH1 3.14Å; E131-T135 PolarHBondContact O-N 3.44Å
132	F	95.6	Very high	95.4	Very high	50 Å²	50	49 Å²	49	22%	0.219	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-46.2	174.5	-178.5	-104.9	0	0	0	112.4	L102 L110 S128 T129 C130 R134 T135 I136	L102-F132 HydrophobicContact CB-CD1 3.58Å; L102-F132 HydrophobicContact CB-CD2 4.31Å; L102-F132 HydrophobicContact CB-CE1 3.72Å; L102-F132 HydrophobicContact CB-CE2 4.44Å; L102-F132 HydrophobicContact CB-CG 3.89Å; L102-F132 HydrophobicContact CB-CZ 4.16Å; L102-F132 HydrophobicContact CD1-CB 3.55Å; L102-F132 HydrophobicContact CD1-CD1 3.99Å; L102-F132 HydrophobicContact CD1-CG 3.77Å; L102-F132 HydrophobicContact CG-CD1 4.42Å; L102-F132 HydrophobicContact CG-CG 4.5Å; L110-F132 HydrophobicContact CD1-CD1 4.22Å; L110-F132 HydrophobicContact CD1-CE1 3.75Å; S128-F132 PolarHBondContact O-N 2.92Å; S128-F132 VanDerWaalsContact O-N 3.13Å; T129-F132 PolarHBondContact O-N 3.02Å; C130-F132 VanDerWaalsContact C-N 3.32Å; C130-F132 PolarHBondContact O-N 3.14Å; F132-R134 PolarHBondContact O-N 3.02Å; F132-T135 PolarHBondContact O-N 2.71Å; F132-T135 PolarHBondContact O-OG1 3.41Å; F132-I136 HydrophobicContact CD1-CD1 4.38Å; F132-I136 HydrophobicContact CE1-CD1 3.88Å; F132-I136 HydrophobicContact CE1-CG2 4.38Å; F132-I136 HydrophobicContact CE2-CG2 4.38Å; F132-I136 HydrophobicContact CZ-CD1 4.5Å; F132-I136 HydrophobicContact CZ-CG2 4.05Å
133	L	96	Very high	95.3	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-57.7	-37.4	178.1	-74.1	169.9	0	0	0	112.1	L110 L111 L114 T129 C130 T135 I136 L137 V145 L157	L110-L133 HydrophobicContact CB-CD2 4.35Å; L111-L133 HydrophobicContact CD2-CD1 4.13Å; L111-L133 HydrophobicContact CD2-CD2 4.42Å; L114-L133 HydrophobicContact CD2-CD1 3.72Å; T129-L133 HydrophobicContact CG2-CD1 4.33Å; T129-L133 WeakPolarHBondContact O-CG 3.35Å; T129-L133 PolarHBondContact O-N 3.15Å; C130-L133 PolarHBondContact O-N 3.06Å; L133-T135 PolarHBondContact O-N 2.97Å; L133-I136 HydrophobicContact CD2-CD1 4.25Å; L133-I136 WeakPolarHBondContact O-CG1 3.38Å; L133-I136 PolarHBondContact O-N 2.83Å; L133-L137 WeakPolarHBondContact O-CG 3.34Å; L133-L137 PolarHBondContact O-N 3.29Å; L133-V145 HydrophobicContact CB-CG1 4.38Å; L133-V145 HydrophobicContact CD1-CG1 4.48Å; L133-V145 HydrophobicContact CD2-CG2 4.49Å; L133-L157 HydrophobicContact CB-CD1 4.09Å; L133-L157 HydrophobicContact CD1-CD2 4.08Å
134	R	95.9	Very high	95.2	Very high	106 Å²	106	47.4 Å²	47.4	40%	0.4	25%	0.251	S	S	.	.	H	α-helix	trans	-60	-32.9	175.7	-66.9	169.3	74.8	-173.6	10.8	112.7	C130 E131 F132 I136 L157 A160	C130-R134 WeakPolarHBondContact O-CG 3.41Å; C130-R134 PolarHBondContact O-N 3.49Å; E131-R134 WeakPolarHBondContact O-CB 3.48Å; E131-R134 PolarHBondContact O-N 3.42Å; E131-R134 IonicContact OE2-CZ 3.58Å; E131-R134 IonicContact OE2-NE 2.6Å; E131-R134 IonicContact OE2-NH1 3.77Å; E131-R134 PolarHBondContact OE2-NH1 3.14Å; F132-R134 PolarHBondContact O-N 3.02Å; R134-I136 VanDerWaalsContact C-N 3.34Å; R134-L157 HydrophobicContact CG-CD1 3.68Å; R134-A160 HydrophobicContact CG-CB 3.85Å
135	T	94.7	Very high	95.2	Very high	95 Å²	95	43.7 Å²	43.7	58%	0.583	23%	0.227	S	C	*	.	H	α-helix	trans	-78.1	-17.8	-178.7	69.1	0	0	0	0	114	E131 F132 L133	E131-T135 PolarHBondContact O-N 3.44Å; F132-T135 PolarHBondContact O-N 2.71Å; F132-T135 PolarHBondContact O-OG1 3.41Å; L133-T135 PolarHBondContact O-N 2.97Å
136	I	94	Very high	95.3	Very high	53 Å²	53	43.6 Å²	43.6	27%	0.272	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	13.8	-175.9	66.4	164.7	0	0	0	113.1	L110 F132 L133 R134 H138 N141	L110-I136 HydrophobicContact CD1-CD1 4.22Å; F132-I136 HydrophobicContact CD1-CD1 4.38Å; F132-I136 HydrophobicContact CE1-CD1 3.88Å; F132-I136 HydrophobicContact CE1-CG2 4.38Å; F132-I136 HydrophobicContact CE2-CG2 4.38Å; F132-I136 HydrophobicContact CZ-CD1 4.5Å; F132-I136 HydrophobicContact CZ-CG2 4.05Å; L133-I136 HydrophobicContact CD2-CD1 4.25Å; L133-I136 WeakPolarHBondContact O-CG1 3.38Å; L133-I136 PolarHBondContact O-N 2.83Å; R134-I136 VanDerWaalsContact C-N 3.34Å; I136-H138 PolarHBondContact O-N 3.25Å; I136-N141 PolarHBondContact O-ND2 2.99Å
137	L	95.6	Very high	95.1	Very high	24 Å²	24	45 Å²	45	13%	0.126	23%	0.234	C	C	.	.			trans	-61	129.4	176.2	-67.2	179.9	0	0	0	110.8	L133 V142 V145 A160 Y164	L133-L137 WeakPolarHBondContact O-CG 3.34Å; L133-L137 PolarHBondContact O-N 3.29Å; L137-V142 HydrophobicContact CD2-CG2 4.37Å; L137-V145 HydrophobicContact CD2-CB 4.15Å; L137-V145 HydrophobicContact CD2-CG1 4Å; L137-V145 HydrophobicContact CD2-CG2 4.23Å; L137-A160 HydrophobicContact CD1-CB 4.26Å; L137-Y164 HydrophobicContact CB-CD2 4.02Å; L137-Y164 HydrophobicContact CB-CE2 4.39Å; L137-Y164 HydrophobicContact CB-CG 4.28Å; L137-Y164 WeakPolarHBondContact O-CE2 3.35Å
138	H	94.9	Very high	95	Very high	62 Å²	62	42.2 Å²	42.2	29%	0.287	22%	0.22	S	C	.	.			trans	-146.4	168.1	172.9	76.1	-74.8	0	0	0	111.3	E107 I136 N140 N141 V142 Y164	E107-H138 IonicContact OE1-CE1 3.24Å; E107-H138 PolarHBondContact OE1-CE1 3.17Å; E107-H138 VanDerWaalsContact OE1-CE1 3.24Å; E107-H138 IonicContact OE1-ND1 3.98Å; I136-H138 PolarHBondContact O-N 3.25Å; H138-N140 PolarHBondContact CD2-N 2.93Å; H138-N140 WeakPolarHBondContact NE2-CB 3.08Å; H138-N140 PolarHBondContact O-N 2.59Å; H138-N140 VanDerWaalsContact O-N 3.07Å; H138-N141 VanDerWaalsContact CE1-CB 3.44Å; H138-N141 WeakPolarHBondContact CE1-CB 3.32Å; H138-N141 PolarHBondContact CE1-ND2 3.32Å; H138-N141 PolarHBondContact N-OD1 3.21Å; H138-N141 PolarHBondContact ND1-ND2 3.36Å; H138-N141 PolarHBondContact ND1-OD1 2.91Å; H138-N141 PolarHBondContact O-N 3.45Å; H138-N141 VanDerWaalsContact O-N 3.12Å; H138-N141 PolarHBondContact O-OD1 2.91Å; H138-V142 WeakPolarHBondContact O-CB 3.38Å; H138-V142 PolarHBondContact O-N 3.24Å; H138-Y164 WeakPolarHBondContact CA-OH 3.41Å
139	I	95.1	Very high	95	Very high	50 Å²	50	38.7 Å²	38.7	26%	0.256	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-36.5	-173	-64.6	165.2	0	0	0	113.3	Y164 H168 E171	I139-Y164 HydrophobicContact CG1-CE1 4.27Å; I139-Y164 PolarHBondContact N-OH 3.18Å; I139-H168 HydrophobicContact CG1-CB 4.48Å; I139-E171 HydrophobicContact CD1-CB 3.74Å; I139-E171 HydrophobicContact CD1-CG 4.15Å; I139-E171 HydrophobicContact CG1-CB 4.3Å; I139-E171 HydrophobicContact CG2-CB 4.19Å
140	N	91.6	Very high	94.9	Very high	103 Å²	103	40.4 Å²	40.4	55%	0.551	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-24.5	-175.8	-46.8	-45.3	0	0	0	113.7	H138	H138-N140 PolarHBondContact CD2-N 2.93Å; H138-N140 WeakPolarHBondContact NE2-CB 3.08Å; H138-N140 PolarHBondContact O-N 2.59Å; H138-N140 VanDerWaalsContact O-N 3.07Å
141	N	93.9	Very high	94.6	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.016	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-21.4	-177.8	76	2.9	0	0	0	114	E107 I136 H138 C143 L144 V145	E107-N141 PolarHBondContact OE1-ND2 3.25Å; E107-N141 WeakPolarHBondContact OE2-CB 3.47Å; I136-N141 PolarHBondContact O-ND2 2.99Å; H138-N141 VanDerWaalsContact CE1-CB 3.44Å; H138-N141 WeakPolarHBondContact CE1-CB 3.32Å; H138-N141 PolarHBondContact CE1-ND2 3.32Å; H138-N141 PolarHBondContact N-OD1 3.21Å; H138-N141 PolarHBondContact ND1-ND2 3.36Å; H138-N141 PolarHBondContact ND1-OD1 2.91Å; H138-N141 PolarHBondContact O-N 3.45Å; H138-N141 VanDerWaalsContact O-N 3.12Å; H138-N141 PolarHBondContact O-OD1 2.91Å; N141-C143 PolarHBondContact O-N 3.36Å; N141-C143 VanDerWaalsContact O-N 3.12Å; N141-L144 PolarHBondContact O-N 3.1Å; N141-V145 HydrophobicContact CB-CG2 4.48Å; N141-V145 WeakPolarHBondContact O-CG2 3.42Å; N141-V145 PolarHBondContact O-N 2.81Å
142	V	96.6	Very high	94.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.8	-35.2	-169	67.4	0	0	0	0	112.6	L137 H138 F146 C161 Y164 M165 V172	L137-V142 HydrophobicContact CD2-CG2 4.37Å; H138-V142 WeakPolarHBondContact O-CB 3.38Å; H138-V142 PolarHBondContact O-N 3.24Å; V142-F146 WeakPolarHBondContact O-CB 3.36Å; V142-F146 PolarHBondContact O-N 3.29Å; V142-C161 HydrophobicContact CG2-CB 4.05Å; V142-Y164 HydrophobicContact CB-CD1 4.03Å; V142-Y164 HydrophobicContact CB-CE1 4.46Å; V142-Y164 HydrophobicContact CG1-CD1 4.15Å; V142-Y164 HydrophobicContact CG1-CE1 4.42Å; V142-Y164 HydrophobicContact CG2-CD1 3.83Å; V142-Y164 HydrophobicContact CG2-CG 4.28Å; V142-M165 HydrophobicContact CB-CE 4.41Å; V142-M165 HydrophobicContact CG1-CE 4.09Å; V142-M165 HydrophobicContact CG1-CG 3.98Å; V142-M165 HydrophobicContact CG2-CE 3.94Å; V142-M165 HydrophobicContact CG2-CG 3.79Å; V142-M165 WeakPolarHBondContact O-CE 3.28Å; V142-V172 HydrophobicContact CG1-CG2 4.05Å
143	C	95.8	Very high	94.3	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.007	25%	0.247	C	C	.	.	H	α-helix	trans	-66.1	-43.9	176.7	-65.2	0	0	0	0	112.8	N141 F146 D147 M165 G177 L181	N141-C143 PolarHBondContact O-N 3.36Å; N141-C143 VanDerWaalsContact O-N 3.12Å; C143-F146 PolarHBondContact O-N 2.88Å; C143-D147 PolarHBondContact O-N 3.18Å; C143-M165 HydrophobicContact CB-CE 4.33Å; C143-G177 WeakPolarHBondContact CB-O 3.43Å; C143-L181 HydrophobicContact CB-CD1 4.4Å; C143-L181 HydrophobicContact CB-CD2 3.71Å; C143-L181 HydrophobicContact CB-CG 3.94Å; C143-L181 WeakPolarHBondContact O-CD2 3.14Å
144	L	93.1	Very high	94.3	Very high	72 Å²	72	47.1 Å²	47.1	38%	0.377	25%	0.251	S	S	.	.	H	α-helix	trans	-66.4	-44.7	177.6	-67.6	171.6	0	0	0	111.1	L111 N141 F146 D147 V148	L111-L144 HydrophobicContact CD1-CB 4.18Å; N141-L144 PolarHBondContact O-N 3.1Å; L144-F146 VanDerWaalsContact C-N 3.3Å; L144-F146 PolarHBondContact O-N 3.44Å; L144-D147 PolarHBondContact O-N 3.36Å; L144-V148 WeakPolarHBondContact O-CG2 3.3Å; L144-V148 PolarHBondContact O-N 3.45Å
145	V	95.8	Very high	94.2	Very high	4 Å²	4	46 Å²	46	2%	0.024	26%	0.258	C	S	.	.	H	α-helix	trans	-62.5	-41.1	176.8	-178.5	0	0	0	0	110.5	L111 L133 L137 N141 V148 A149 L157	L111-V145 HydrophobicContact CD2-CG2 4.25Å; L133-V145 HydrophobicContact CB-CG1 4.38Å; L133-V145 HydrophobicContact CD1-CG1 4.48Å; L133-V145 HydrophobicContact CD2-CG2 4.49Å; L137-V145 HydrophobicContact CD2-CB 4.15Å; L137-V145 HydrophobicContact CD2-CG1 4Å; L137-V145 HydrophobicContact CD2-CG2 4.23Å; N141-V145 HydrophobicContact CB-CG2 4.48Å; N141-V145 WeakPolarHBondContact O-CG2 3.42Å; N141-V145 PolarHBondContact O-N 2.81Å; V145-V148 PolarHBondContact O-N 3.4Å; V145-A149 VanDerWaalsContact O-CB 3.27Å; V145-A149 WeakPolarHBondContact O-CB 3.26Å; V145-A149 PolarHBondContact O-N 2.99Å; V145-L157 HydrophobicContact CG1-CD1 3.92Å; V145-L157 HydrophobicContact CG1-CD2 3.95Å; V145-L157 HydrophobicContact CG1-CG 4.08Å
146	F	96.4	Very high	94.1	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.018	25%	0.25	C	S	.	.	H	α-helix	trans	-64.4	-42.9	177.4	179	-106.6	0	0	0	112.7	V142 C143 L144 V148 A149 S150 N158 C161 C162 M165 L181 A185 T188 V189	V142-F146 WeakPolarHBondContact O-CB 3.36Å; V142-F146 PolarHBondContact O-N 3.29Å; C143-F146 PolarHBondContact O-N 2.88Å; L144-F146 VanDerWaalsContact C-N 3.3Å; L144-F146 PolarHBondContact O-N 3.44Å; F146-V148 VanDerWaalsContact C-N 3.32Å; F146-V148 PolarHBondContact O-N 3.48Å; F146-A149 PolarHBondContact O-N 3.32Å; F146-S150 VanDerWaalsContact O-CB 3.26Å; F146-S150 WeakPolarHBondContact O-CB 3.16Å; F146-S150 PolarHBondContact O-N 3.32Å; F146-N158 HydrophobicContact CE2-CB 4.5Å; F146-C161 HydrophobicContact CB-CB 3.89Å; F146-C161 HydrophobicContact CD2-CB 3.79Å; F146-C161 HydrophobicContact CG-CB 4.29Å; F146-C162 VanDerWaalsContact CE2-SG 3.52Å; F146-M165 HydrophobicContact CB-CE 3.5Å; F146-M165 VanDerWaalsContact CB-CE 3.5Å; F146-M165 HydrophobicContact CD1-CE 4.07Å; F146-M165 HydrophobicContact CG-CE 3.8Å; F146-M165 HydrophobicContact CG-SD 4.49Å; F146-L181 HydrophobicContact CD1-CD2 4.33Å; F146-A185 HydrophobicContact CD1-CB 3.95Å; F146-A185 HydrophobicContact CE1-CB 3.76Å; F146-T188 HydrophobicContact CZ-CG2 3.91Å; F146-V189 HydrophobicContact CD1-CG2 3.9Å; F146-V189 HydrophobicContact CE1-CG2 3.48Å; F146-V189 VanDerWaalsContact CE1-CG2 3.48Å; F146-V189 HydrophobicContact CZ-CG2 4Å
147	D	93.8	Very high	94.3	Very high	44 Å²	44	41.4 Å²	41.4	24%	0.235	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-42.6	179.1	-159.6	45.2	0	0	0	111.1	C143 L144 S150 L151 L181 S182 A185	C143-D147 PolarHBondContact O-N 3.18Å; L144-D147 PolarHBondContact O-N 3.36Å; D147-S150 PolarHBondContact O-N 2.95Å; D147-L151 WeakPolarHBondContact O-CB 3.46Å; D147-L151 PolarHBondContact O-N 2.96Å; D147-L181 HydrophobicContact CB-CD2 4.44Å; D147-S182 WeakPolarHBondContact OD1-CB 3.41Å; D147-S182 PolarHBondContact OD1-OG 2.99Å; D147-A185 HydrophobicContact CB-CB 4.49Å; D147-A185 WeakPolarHBondContact OD1-CB 3.47Å
148	V	93.5	Very high	94.3	Very high	26 Å²	26	41.6 Å²	41.6	16%	0.158	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-43.9	174.7	174.1	0	0	0	0	112	L111 L114 L144 V145 F146 S150 L151 Y152	L111-V148 HydrophobicContact CB-CG2 4.3Å; L111-V148 HydrophobicContact CD1-CG2 4.16Å; L111-V148 HydrophobicContact CD2-CB 4.11Å; L111-V148 HydrophobicContact CD2-CG1 4.16Å; L111-V148 HydrophobicContact CD2-CG2 4.12Å; L111-V148 HydrophobicContact CG-CG2 4.42Å; L114-V148 HydrophobicContact CD2-CG1 4.09Å; L144-V148 WeakPolarHBondContact O-CG2 3.3Å; L144-V148 PolarHBondContact O-N 3.45Å; V145-V148 PolarHBondContact O-N 3.4Å; F146-V148 VanDerWaalsContact C-N 3.32Å; F146-V148 PolarHBondContact O-N 3.48Å; V148-S150 VanDerWaalsContact C-N 3.27Å; V148-S150 PolarHBondContact O-N 2.89Å; V148-L151 PolarHBondContact O-N 3.42Å; V148-Y152 HydrophobicContact CG1-CD2 3.6Å; V148-Y152 HydrophobicContact CG1-CE2 3.46Å; V148-Y152 VanDerWaalsContact CG1-CE2 3.46Å; V148-Y152 WeakPolarHBondContact O-CD2 3.18Å; V148-Y152 PolarHBondContact O-N 3.46Å
149	A	95.1	Very high	94.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-36.6	176.9	0	0	0	0	0	111.8	V145 F146 C153 L154 L157 N158	V145-A149 VanDerWaalsContact O-CB 3.27Å; V145-A149 WeakPolarHBondContact O-CB 3.26Å; V145-A149 PolarHBondContact O-N 2.99Å; F146-A149 PolarHBondContact O-N 3.32Å; A149-C153 PolarHBondContact O-N 3.41Å; A149-C153 VanDerWaalsContact O-N 3.09Å; A149-L154 HydrophobicContact CB-CB 4.32Å; A149-L154 PolarHBondContact O-N 3.13Å; A149-L157 HydrophobicContact CB-CB 4.07Å; A149-L157 HydrophobicContact CB-CD2 3.84Å; A149-L157 HydrophobicContact CB-CG 3.79Å; A149-N158 VanDerWaalsContact C-ND2 3.28Å; A149-N158 VanDerWaalsContact C-OD1 3.25Å; A149-N158 WeakPolarHBondContact CB-OD1 3.4Å; A149-N158 PolarHBondContact O-ND2 3.36Å
150	S	92.8	Very high	94.3	Very high	35 Å²	35	43.7 Å²	43.7	25%	0.245	25%	0.252	C	S	.	.	H	α-helix	trans	-68.3	-46.3	175.1	-173.8	0	0	0	0	111.2	F146 D147 V148 Y152 C153 N158	F146-S150 VanDerWaalsContact O-CB 3.26Å; F146-S150 WeakPolarHBondContact O-CB 3.16Å; F146-S150 PolarHBondContact O-N 3.32Å; D147-S150 PolarHBondContact O-N 2.95Å; V148-S150 VanDerWaalsContact C-N 3.27Å; V148-S150 PolarHBondContact O-N 2.89Å; S150-Y152 VanDerWaalsContact C-N 3.31Å; S150-Y152 PolarHBondContact O-N 3.08Å; S150-C153 PolarHBondContact O-N 3.24Å; S150-C153 VanDerWaalsContact O-N 3.12Å; S150-N158 PolarHBondContact N-OD1 2.61Å; S150-N158 VanDerWaalsContact N-OD1 3.1Å
151	L	91.3	Very high	94.6	Very high	127 Å²	127	38.8 Å²	38.8	67%	0.665	23%	0.225	S	C	*	.	H	α-helix	trans	-57.9	-41	178.5	-179.9	64.4	0	0	0	112.8	D147 V148	D147-L151 WeakPolarHBondContact O-CB 3.46Å; D147-L151 PolarHBondContact O-N 2.96Å; V148-L151 PolarHBondContact O-N 3.42Å
152	Y	92.6	Very high	94.7	Very high	55 Å²	55	39.6 Å²	39.6	22%	0.216	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	7.1	179.8	-58.4	-39.8	0	0	0	113.8	G115 H118 V148 S150 L154	G115-Y152 VanDerWaalsContact CA-CE2 3.44Å; G115-Y152 WeakPolarHBondContact CA-OH 3.27Å; H118-Y152 HydrophobicContact CB-CG 4.42Å; H118-Y152 AromaticContact CD2-CD1 3.46Å; H118-Y152 VanDerWaalsContact CD2-CD1 3.46Å; H118-Y152 WeakPolarHBondContact CD2-CD1 3.43Å; H118-Y152 AromaticContact CD2-CG 3.86Å; H118-Y152 AromaticContact NE2-CD1 3.97Å; V148-Y152 HydrophobicContact CG1-CD2 3.6Å; V148-Y152 HydrophobicContact CG1-CE2 3.46Å; V148-Y152 VanDerWaalsContact CG1-CE2 3.46Å; V148-Y152 WeakPolarHBondContact O-CD2 3.18Å; V148-Y152 PolarHBondContact O-N 3.46Å; S150-Y152 VanDerWaalsContact C-N 3.31Å; S150-Y152 PolarHBondContact O-N 3.08Å; Y152-L154 VanDerWaalsContact C-N 3.27Å; Y152-L154 HydrophobicContact CD2-CD1 4.34Å; Y152-L154 PolarHBondContact O-N 3.5Å
153	C	92.6	Very high	94.6	Very high	110 Å²	110	41.7 Å²	41.7	74%	0.743	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	36.6	-179.5	-62.7	0	0	0	0	114.3	A149 S150 S155	A149-C153 PolarHBondContact O-N 3.41Å; A149-C153 VanDerWaalsContact O-N 3.09Å; S150-C153 PolarHBondContact O-N 3.24Å; S150-C153 VanDerWaalsContact O-N 3.12Å; C153-S155 PolarHBondContact O-N 3.31Å; C153-S155 VanDerWaalsContact O-N 3.08Å
154	L	94.6	Very high	94.6	Very high	16 Å²	16	44.2 Å²	44.2	8%	0.084	26%	0.258	C	S	.	.			trans	-82.1	84.5	-177.8	-56.7	174	0	0	0	110.5	L114 E126 A149 Y152 A156 L157 N158	L114-L154 HydrophobicContact CD1-CD1 4.12Å; L114-L154 HydrophobicContact CD2-CD1 3.77Å; L114-L154 HydrophobicContact CG-CD1 4.19Å; E126-L154 HydrophobicContact CG-CD2 4.1Å; E126-L154 VanDerWaalsContact OE1-CD2 3.26Å; E126-L154 WeakPolarHBondContact OE1-CD2 3.45Å; A149-L154 HydrophobicContact CB-CB 4.32Å; A149-L154 PolarHBondContact O-N 3.13Å; Y152-L154 VanDerWaalsContact C-N 3.27Å; Y152-L154 HydrophobicContact CD2-CD1 4.34Å; Y152-L154 PolarHBondContact O-N 3.5Å; L154-A156 PolarHBondContact O-N 3.05Å; L154-L157 HydrophobicContact CB-CB 4.23Å; L154-L157 HydrophobicContact CD1-CD2 4.41Å; L154-L157 PolarHBondContact O-N 3.23Å; L154-N158 WeakPolarHBondContact O-CB 3.43Å; L154-N158 PolarHBondContact O-N 2.94Å; L154-N158 PolarHBondContact O-ND2 2.89Å
155	S	93.8	Very high	94.7	Very high	81 Å²	81	40.8 Å²	40.8	57%	0.566	24%	0.24	S	C	*	.	H	α-helix	trans	-52.3	-51.7	-170.5	56	0	0	0	0	114.3	C153 L157 N158 E159	C153-S155 PolarHBondContact O-N 3.31Å; C153-S155 VanDerWaalsContact O-N 3.08Å; S155-L157 VanDerWaalsContact C-N 3.34Å; S155-L157 PolarHBondContact O-N 3.26Å; S155-N158 WeakPolarHBondContact O-CB 3.36Å; S155-N158 PolarHBondContact O-N 3.2Å; S155-E159 WeakPolarHBondContact O-CG 3.45Å; S155-E159 PolarHBondContact O-N 3.08Å
156	A	94.3	Very high	94.7	Very high	50 Å²	50	41.6 Å²	41.6	41%	0.413	24%	0.244	S	C	.	.	H	α-helix	trans	-64.9	-35.9	-176.8	0	0	0	0	0	113.1	L154 A160	L154-A156 PolarHBondContact O-N 3.05Å; A156-A160 PolarHBondContact O-N 3.14Å
157	L	96.4	Very high	94.4	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-72.7	-41.5	175.7	-176.5	59.3	0	0	0	110.7	L114 C130 L133 R134 V145 A149 L154 S155 E159 A160 C161	L114-L157 HydrophobicContact CD2-CD2 4.21Å; C130-L157 HydrophobicContact CB-CD2 4.46Å; L133-L157 HydrophobicContact CB-CD1 4.09Å; L133-L157 HydrophobicContact CD1-CD2 4.08Å; R134-L157 HydrophobicContact CG-CD1 3.68Å; V145-L157 HydrophobicContact CG1-CD1 3.92Å; V145-L157 HydrophobicContact CG1-CD2 3.95Å; V145-L157 HydrophobicContact CG1-CG 4.08Å; A149-L157 HydrophobicContact CB-CB 4.07Å; A149-L157 HydrophobicContact CB-CD2 3.84Å; A149-L157 HydrophobicContact CB-CG 3.79Å; L154-L157 HydrophobicContact CB-CB 4.23Å; L154-L157 HydrophobicContact CD1-CD2 4.41Å; L154-L157 PolarHBondContact O-N 3.23Å; S155-L157 VanDerWaalsContact C-N 3.34Å; S155-L157 PolarHBondContact O-N 3.26Å; L157-E159 PolarHBondContact O-N 2.95Å; L157-A160 PolarHBondContact O-N 3.25Å; L157-C161 PolarHBondContact O-N 3.21Å; L157-C161 PolarHBondContact O-SG 3.46Å; L157-C161 VanDerWaalsContact O-SG 3.4Å
158	N	95.9	Very high	94.5	Very high	27 Å²	27	50.3 Å²	50.3	14%	0.144	28%	0.276	C	S	.	.	H	α-helix	trans	-57	-48	173.5	-83.3	-42.2	0	0	0	111.9	F146 A149 S150 L154 S155 A160 C161 C162	F146-N158 HydrophobicContact CE2-CB 4.5Å; A149-N158 VanDerWaalsContact C-ND2 3.28Å; A149-N158 VanDerWaalsContact C-OD1 3.25Å; A149-N158 WeakPolarHBondContact CB-OD1 3.4Å; A149-N158 PolarHBondContact O-ND2 3.36Å; S150-N158 PolarHBondContact N-OD1 2.61Å; S150-N158 VanDerWaalsContact N-OD1 3.1Å; L154-N158 WeakPolarHBondContact O-CB 3.43Å; L154-N158 PolarHBondContact O-N 2.94Å; L154-N158 PolarHBondContact O-ND2 2.89Å; S155-N158 WeakPolarHBondContact O-CB 3.36Å; S155-N158 PolarHBondContact O-N 3.2Å; N158-A160 VanDerWaalsContact C-N 3.32Å; N158-A160 PolarHBondContact O-N 2.98Å; N158-C161 PolarHBondContact O-N 3.15Å; N158-C162 WeakPolarHBondContact O-CB 3.48Å; N158-C162 PolarHBondContact O-N 3.06Å; N158-C162 PolarHBondContact O-SG 3.32Å; N158-C162 VanDerWaalsContact O-SG 3.38Å
159	E	94.6	Very high	94.6	Very high	137 Å²	137	49.1 Å²	49.1	64%	0.64	27%	0.269	S	S	*	.	H	α-helix	trans	-60.1	-41.7	177.4	-74.4	173.6	-165.4	0	0	112	S155 L157 C162 A163	S155-E159 WeakPolarHBondContact O-CG 3.45Å; S155-E159 PolarHBondContact O-N 3.08Å; L157-E159 PolarHBondContact O-N 2.95Å; E159-C162 PolarHBondContact O-N 3.37Å; E159-A163 WeakPolarHBondContact O-CB 3.34Å; E159-A163 PolarHBondContact O-N 3.43Å
160	A	95.9	Very high	94.6	Very high	20 Å²	20	51.2 Å²	51.2	17%	0.165	28%	0.283	C	S	.	.	H	α-helix	trans	-65.1	-44.9	177.1	0	0	0	0	0	112.3	R134 L137 A156 L157 N158 A163 Y164	R134-A160 HydrophobicContact CG-CB 3.85Å; L137-A160 HydrophobicContact CD1-CB 4.26Å; A156-A160 PolarHBondContact O-N 3.14Å; L157-A160 PolarHBondContact O-N 3.25Å; N158-A160 VanDerWaalsContact C-N 3.32Å; N158-A160 PolarHBondContact O-N 2.98Å; A160-A163 PolarHBondContact O-N 3.43Å; A160-Y164 WeakPolarHBondContact O-CB 3.27Å; A160-Y164 PolarHBondContact O-N 3.44Å
161	C	97.3	Very high	94.7	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-47.5	174.3	-72.2	0	0	0	0	111.4	V142 F146 L157 N158 A163 Y164 M165	V142-C161 HydrophobicContact CG2-CB 4.05Å; F146-C161 HydrophobicContact CB-CB 3.89Å; F146-C161 HydrophobicContact CD2-CB 3.79Å; F146-C161 HydrophobicContact CG-CB 4.29Å; L157-C161 PolarHBondContact O-N 3.21Å; L157-C161 PolarHBondContact O-SG 3.46Å; L157-C161 VanDerWaalsContact O-SG 3.4Å; N158-C161 PolarHBondContact O-N 3.15Å; C161-A163 PolarHBondContact O-N 3.09Å; C161-Y164 PolarHBondContact O-N 2.88Å; C161-M165 WeakPolarHBondContact O-CB 3.48Å; C161-M165 VanDerWaalsContact O-CG 3.28Å; C161-M165 WeakPolarHBondContact O-CG 3.47Å; C161-M165 PolarHBondContact O-N 3.4Å
162	C	95.9	Very high	95	Very high	20 Å²	20	47.9 Å²	47.9	14%	0.135	26%	0.26	C	S	.	.	H	α-helix	trans	-55.5	-48.2	176.1	-87.1	0	0	0	0	112.2	F146 N158 E159 M165 D166 R192	F146-C162 VanDerWaalsContact CE2-SG 3.52Å; N158-C162 WeakPolarHBondContact O-CB 3.48Å; N158-C162 PolarHBondContact O-N 3.06Å; N158-C162 PolarHBondContact O-SG 3.32Å; N158-C162 VanDerWaalsContact O-SG 3.38Å; E159-C162 PolarHBondContact O-N 3.37Å; C162-M165 PolarHBondContact O-N 2.96Å; C162-D166 PolarHBondContact O-N 3.35Å; C162-R192 PolarHBondContact O-NH1 3.09Å; C162-R192 PolarHBondContact SG-NH1 2.99Å; C162-R192 VanDerWaalsContact SG-NH1 3.44Å
163	A	94.2	Very high	95.2	Very high	44 Å²	44	45.3 Å²	45.3	36%	0.364	25%	0.25	S	C	.	.	H	α-helix	trans	-66	-36.4	178.3	0	0	0	0	0	112.6	E159 A160 C161 R167	E159-A163 WeakPolarHBondContact O-CB 3.34Å; E159-A163 PolarHBondContact O-N 3.43Å; A160-A163 PolarHBondContact O-N 3.43Å; C161-A163 PolarHBondContact O-N 3.09Å; A163-R167 WeakPolarHBondContact O-CG 3.15Å; A163-R167 PolarHBondContact O-N 2.93Å
164	Y	95.8	Very high	95.4	Very high	53 Å²	53	45.2 Å²	45.2	21%	0.208	24%	0.242	C	C	.	.	H	α-helix	trans	-65.8	-48.5	173.9	-172.8	-82.1	0	0	0	111.1	L137 H138 I139 V142 A160 C161 D166 R167 H168	L137-Y164 HydrophobicContact CB-CD2 4.02Å; L137-Y164 HydrophobicContact CB-CE2 4.39Å; L137-Y164 HydrophobicContact CB-CG 4.28Å; L137-Y164 WeakPolarHBondContact O-CE2 3.35Å; H138-Y164 WeakPolarHBondContact CA-OH 3.41Å; I139-Y164 HydrophobicContact CG1-CE1 4.27Å; I139-Y164 PolarHBondContact N-OH 3.18Å; V142-Y164 HydrophobicContact CB-CD1 4.03Å; V142-Y164 HydrophobicContact CB-CE1 4.46Å; V142-Y164 HydrophobicContact CG1-CD1 4.15Å; V142-Y164 HydrophobicContact CG1-CE1 4.42Å; V142-Y164 HydrophobicContact CG2-CD1 3.83Å; V142-Y164 HydrophobicContact CG2-CG 4.28Å; A160-Y164 WeakPolarHBondContact O-CB 3.27Å; A160-Y164 PolarHBondContact O-N 3.44Å; C161-Y164 PolarHBondContact O-N 2.88Å; Y164-D166 VanDerWaalsContact C-N 3.32Å; Y164-D166 PolarHBondContact O-N 3.45Å; Y164-R167 PolarHBondContact O-N 3.35Å; Y164-H168 AromaticContact CD1-CD2 3.99Å; Y164-H168 AromaticContact CE1-CD2 3.6Å; Y164-H168 AromaticContact CE2-CD2 3.96Å; Y164-H168 AromaticContact CZ-CD2 3.56Å; Y164-H168 AromaticContact CZ-NE2 3.97Å; Y164-H168 PolarHBondContact O-CD2 3.35Å; Y164-H168 PolarHBondContact O-N 3.14Å
165	M	96.4	Very high	95.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.7	-40.2	178.3	-72.6	179.2	179.8	0	0	112.3	V142 C143 F146 C161 C162 R167 H168 A169 V172 V189 F195	V142-M165 HydrophobicContact CB-CE 4.41Å; V142-M165 HydrophobicContact CG1-CE 4.09Å; V142-M165 HydrophobicContact CG1-CG 3.98Å; V142-M165 HydrophobicContact CG2-CE 3.94Å; V142-M165 HydrophobicContact CG2-CG 3.79Å; V142-M165 WeakPolarHBondContact O-CE 3.28Å; C143-M165 HydrophobicContact CB-CE 4.33Å; F146-M165 HydrophobicContact CB-CE 3.5Å; F146-M165 VanDerWaalsContact CB-CE 3.5Å; F146-M165 HydrophobicContact CD1-CE 4.07Å; F146-M165 HydrophobicContact CG-CE 3.8Å; F146-M165 HydrophobicContact CG-SD 4.49Å; C161-M165 WeakPolarHBondContact O-CB 3.48Å; C161-M165 VanDerWaalsContact O-CG 3.28Å; C161-M165 WeakPolarHBondContact O-CG 3.47Å; C161-M165 PolarHBondContact O-N 3.4Å; C162-M165 PolarHBondContact O-N 2.96Å; M165-R167 VanDerWaalsContact C-N 3.28Å; M165-R167 PolarHBondContact O-N 3.26Å; M165-H168 CarbonylContact O-C 3.48Å; M165-H168 VanDerWaalsContact O-C 3.29Å; M165-H168 PolarHBondContact O-N 2.92Å; M165-H168 VanDerWaalsContact O-N 3.16Å; M165-A169 VanDerWaalsContact O-CA 3.24Å; M165-A169 WeakPolarHBondContact O-CA 3.16Å; M165-A169 PolarHBondContact O-N 3.39Å; M165-V172 HydrophobicContact CG-CG1 4.34Å; M165-V172 HydrophobicContact CG-CG2 4.35Å; M165-V189 HydrophobicContact CE-CG2 4.37Å; M165-V189 HydrophobicContact SD-CG1 4.08Å; M165-V189 HydrophobicContact SD-CG2 3.61Å; M165-F195 HydrophobicContact CB-CD2 4.44Å; M165-F195 HydrophobicContact CB-CE2 4.12Å
166	D	94.7	Very high	95.3	Very high	21 Å²	21	47.5 Å²	47.5	11%	0.112	25%	0.248	C	C	.	.	H	α-helix	trans	-65.5	-30.7	179.9	-69.7	-15	0	0	0	112.9	C162 Y164 H168 R192 S194 F195	C162-D166 PolarHBondContact O-N 3.35Å; Y164-D166 VanDerWaalsContact C-N 3.32Å; Y164-D166 PolarHBondContact O-N 3.45Å; D166-H168 VanDerWaalsContact C-N 3.34Å; D166-R192 IonicContact OD1-CZ 2.99Å; D166-R192 IonicContact OD1-NH1 2.83Å; D166-R192 PolarHBondContact OD1-NH1 3.26Å; D166-R192 IonicContact OD1-NH2 3.62Å; D166-R192 PolarHBondContact OD1-NH2 3.05Å; D166-R192 IonicContact OD2-CZ 3.58Å; D166-R192 IonicContact OD2-NH1 3.63Å; D166-R192 PolarHBondContact OD2-NH1 3.29Å; D166-R192 IonicContact OD2-NH2 2.64Å; D166-S194 VanDerWaalsContact CG-OG 3.27Å; D166-S194 VanDerWaalsContact OD2-CB 3.25Å; D166-S194 WeakPolarHBondContact OD2-CB 3.48Å; D166-S194 PolarHBondContact OD2-OG 3.12Å; D166-F195 WeakPolarHBondContact OD1-CA 3.25Å
167	R	91.8	Very high	95.2	Very high	174 Å²	174	45.4 Å²	45.4	66%	0.657	23%	0.232	S	C	*	.	H	α-helix	trans	-76.9	-21.7	176	-68.7	174	-175.6	-176.2	1.2	113.3	A163 Y164 M165	A163-R167 WeakPolarHBondContact O-CG 3.15Å; A163-R167 PolarHBondContact O-N 2.93Å; Y164-R167 PolarHBondContact O-N 3.35Å; M165-R167 VanDerWaalsContact C-N 3.28Å; M165-R167 PolarHBondContact O-N 3.26Å
168	H	94.6	Very high	95.2	Very high	58 Å²	58	45.3 Å²	45.3	27%	0.269	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.3	31.3	-173.6	-62.7	-65	0	0	0	111.7	I139 Y164 M165 D166 E171 V172	I139-H168 HydrophobicContact CG1-CB 4.48Å; Y164-H168 AromaticContact CD1-CD2 3.99Å; Y164-H168 AromaticContact CE1-CD2 3.6Å; Y164-H168 AromaticContact CE2-CD2 3.96Å; Y164-H168 AromaticContact CZ-CD2 3.56Å; Y164-H168 AromaticContact CZ-NE2 3.97Å; Y164-H168 PolarHBondContact O-CD2 3.35Å; Y164-H168 PolarHBondContact O-N 3.14Å; M165-H168 CarbonylContact O-C 3.48Å; M165-H168 VanDerWaalsContact O-C 3.29Å; M165-H168 PolarHBondContact O-N 2.92Å; M165-H168 VanDerWaalsContact O-N 3.16Å; D166-H168 VanDerWaalsContact C-N 3.34Å; H168-E171 WeakPolarHBondContact CA-OE2 3.38Å; H168-E171 PolarHBondContact O-N 3.45Å; H168-E171 VanDerWaalsContact O-N 3.15Å; H168-V172 HydrophobicContact CB-CG2 4.25Å; H168-V172 WeakPolarHBondContact O-CB 3.29Å; H168-V172 VanDerWaalsContact O-CG2 3.31Å; H168-V172 WeakPolarHBondContact O-CG2 3.44Å; H168-V172 PolarHBondContact O-N 2.93Å
169	A	95.4	Very high	95.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58	-46.5	-168.5	0	0	0	0	0	113.2	M165 E171 V172 L173 F195 A197	M165-A169 VanDerWaalsContact O-CA 3.24Å; M165-A169 WeakPolarHBondContact O-CA 3.16Å; M165-A169 PolarHBondContact O-N 3.39Å; A169-E171 PolarHBondContact O-N 3.38Å; A169-V172 PolarHBondContact O-N 3.38Å; A169-L173 WeakPolarHBondContact O-CB 3.39Å; A169-L173 VanDerWaalsContact O-CG 3.29Å; A169-L173 WeakPolarHBondContact O-CG 3.35Å; A169-L173 PolarHBondContact O-N 3.49Å; A169-F195 HydrophobicContact CB-CD1 4.27Å; A169-F195 HydrophobicContact CB-CD2 3.74Å; A169-F195 HydrophobicContact CB-CE1 4.09Å; A169-F195 HydrophobicContact CB-CE2 3.54Å; A169-F195 HydrophobicContact CB-CG 4.11Å; A169-F195 HydrophobicContact CB-CZ 3.74Å; A169-A197 HydrophobicContact CB-CB 4.32Å
170	P	94.9	Very high	94.9	Very high	45 Å²	45	40.9 Å²	40.9	29%	0.292	22%	0.217	S	C	.	.	H	α-helix	trans	-63.2	-38.7	176	-22.2	35	0	0	0	113.4	N174	P170-N174 PolarHBondContact O-N 3.44Å; P170-N174 PolarHBondContact O-ND2 3.19Å
171	E	96.7	Very high	94.8	Very high	92 Å²	92	40 Å²	40	43%	0.43	21%	0.209	S	C	.	.	H	α-helix	trans	-69.3	-42.3	178.3	-61.5	87.2	173.5	0	0	111.7	I139 H168 A169 N174 S175	I139-E171 HydrophobicContact CD1-CB 3.74Å; I139-E171 HydrophobicContact CD1-CG 4.15Å; I139-E171 HydrophobicContact CG1-CB 4.3Å; I139-E171 HydrophobicContact CG2-CB 4.19Å; H168-E171 WeakPolarHBondContact CA-OE2 3.38Å; H168-E171 PolarHBondContact O-N 3.45Å; H168-E171 VanDerWaalsContact O-N 3.15Å; A169-E171 PolarHBondContact O-N 3.38Å; E171-N174 PolarHBondContact O-N 3.19Å; E171-N174 VanDerWaalsContact O-N 3.16Å; E171-S175 PolarHBondContact O-N 3.43Å
172	V	97.3	Very high	94.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-45.5	176.6	169.4	0	0	0	0	110.5	V142 M165 H168 A169 N174 S175 F178 F195	V142-V172 HydrophobicContact CG1-CG2 4.05Å; M165-V172 HydrophobicContact CG-CG1 4.34Å; M165-V172 HydrophobicContact CG-CG2 4.35Å; H168-V172 HydrophobicContact CB-CG2 4.25Å; H168-V172 WeakPolarHBondContact O-CB 3.29Å; H168-V172 VanDerWaalsContact O-CG2 3.31Å; H168-V172 WeakPolarHBondContact O-CG2 3.44Å; H168-V172 PolarHBondContact O-N 2.93Å; A169-V172 PolarHBondContact O-N 3.38Å; V172-N174 PolarHBondContact O-N 3.29Å; V172-N174 VanDerWaalsContact O-N 3.14Å; V172-S175 WeakPolarHBondContact O-CB 3.42Å; V172-S175 PolarHBondContact O-N 3.02Å; V172-S175 PolarHBondContact O-OG 3.24Å; V172-F178 HydrophobicContact CG1-CD2 4.22Å; V172-F178 VanDerWaalsContact O-CB 3.24Å; V172-F178 WeakPolarHBondContact O-CB 3.06Å; V172-F195 HydrophobicContact CG1-CZ 4.46Å
173	L	96.9	Very high	94.3	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-54.9	-33.6	176.5	-77.6	169.9	0	0	0	112.6	A169 F178 F195 A197 E201 I202 A205 R208	A169-L173 WeakPolarHBondContact O-CB 3.39Å; A169-L173 VanDerWaalsContact O-CG 3.29Å; A169-L173 WeakPolarHBondContact O-CG 3.35Å; A169-L173 PolarHBondContact O-N 3.49Å; L173-F178 HydrophobicContact CD2-CD2 4.42Å; L173-F178 HydrophobicContact CD2-CE1 4.22Å; L173-F178 HydrophobicContact CD2-CE2 3.79Å; L173-F178 HydrophobicContact CD2-CZ 3.66Å; L173-F195 HydrophobicContact CD1-CE1 4.04Å; L173-F195 HydrophobicContact CD2-CE1 3.84Å; L173-F195 HydrophobicContact CD2-CZ 4.22Å; L173-F195 HydrophobicContact CG-CE1 3.79Å; L173-F195 HydrophobicContact CG-CZ 3.93Å; L173-A197 HydrophobicContact CD1-CB 3.43Å; L173-A197 VanDerWaalsContact CD1-CB 3.43Å; L173-E201 HydrophobicContact CD1-CB 4.13Å; L173-I202 HydrophobicContact CD1-CG1 3.93Å; L173-I202 HydrophobicContact CD2-CG1 4.5Å; L173-A205 HydrophobicContact CB-CB 4.13Å; L173-A205 HydrophobicContact CD2-CB 3.49Å; L173-A205 VanDerWaalsContact CD2-CB 3.49Å; L173-A205 HydrophobicContact CG-CB 4.38Å; L173-R208 PolarHBondContact O-NH2 2.94Å
174	N	95.3	Very high	94.1	Very high	108 Å²	108	46.5 Å²	46.5	58%	0.578	24%	0.241	S	C	*	.	H	α-helix	trans	-88.3	-7.6	-179	-70.9	-55.2	0	0	0	114.3	P170 E171 V172	P170-N174 PolarHBondContact O-N 3.44Å; P170-N174 PolarHBondContact O-ND2 3.19Å; E171-N174 PolarHBondContact O-N 3.19Å; E171-N174 VanDerWaalsContact O-N 3.16Å; V172-N174 PolarHBondContact O-N 3.29Å; V172-N174 VanDerWaalsContact O-N 3.14Å
175	S	95.4	Very high	94	Very high	9 Å²	9	44 Å²	44	6%	0.063	23%	0.231	C	C	.	.	S	Bend	trans	-75.3	153.5	-178.9	73.4	0	0	0	0	113.2	E171 V172 G177 F178	E171-S175 PolarHBondContact O-N 3.43Å; V172-S175 WeakPolarHBondContact O-CB 3.42Å; V172-S175 PolarHBondContact O-N 3.02Å; V172-S175 PolarHBondContact O-OG 3.24Å; S175-G177 VanDerWaalsContact C-N 3.27Å; S175-G177 PolarHBondContact O-N 2.89Å; S175-F178 PolarHBondContact O-N 3.47Å; S175-F178 PolarHBondContact OG-N 3.23Å
176	D	92.3	Very high	93.9	Very high	135 Å²	135	44 Å²	44	72%	0.722	23%	0.231	S	C	*	.	H	α-helix	trans	-66.7	-31.9	171.2	-65.7	-34.7	0	0	0	111.6	F178 L179 S180	D176-F178 PolarHBondContact O-N 3.37Å; D176-L179 WeakPolarHBondContact O-CB 3.4Å; D176-L179 PolarHBondContact O-N 2.92Å; D176-S180 PolarHBondContact O-N 2.83Å
177	G	92.3	Very high	94	Very high	7 Å²	7	43.4 Å²	43.4	7%	0.072	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-30.5	176.9	0	0	0	0	0	113.1	C143 S175 L179 S180	C143-G177 WeakPolarHBondContact CB-O 3.43Å; S175-G177 VanDerWaalsContact C-N 3.27Å; S175-G177 PolarHBondContact O-N 2.89Å; G177-L179 VanDerWaalsContact C-N 3.31Å; G177-S180 PolarHBondContact O-N 3.02Å; G177-S180 PolarHBondContact O-OG 3.12Å
178	F	95.5	Very high	94.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.8	-36	173.1	-177.1	-90.7	0	0	0	112.1	V172 L173 S175 D176 S180 L181 L186 V190 A205 L206	V172-F178 HydrophobicContact CG1-CD2 4.22Å; V172-F178 VanDerWaalsContact O-CB 3.24Å; V172-F178 WeakPolarHBondContact O-CB 3.06Å; L173-F178 HydrophobicContact CD2-CD2 4.42Å; L173-F178 HydrophobicContact CD2-CE1 4.22Å; L173-F178 HydrophobicContact CD2-CE2 3.79Å; L173-F178 HydrophobicContact CD2-CZ 3.66Å; S175-F178 PolarHBondContact O-N 3.47Å; S175-F178 PolarHBondContact OG-N 3.23Å; D176-F178 PolarHBondContact O-N 3.37Å; F178-S180 PolarHBondContact O-N 3.4Å; F178-L181 HydrophobicContact CD2-CD1 3.77Å; F178-L181 HydrophobicContact CE2-CD1 4.16Å; F178-L181 HydrophobicContact CG-CD1 4.33Å; F178-L181 PolarHBondContact O-N 3.34Å; F178-L186 HydrophobicContact CD1-CD1 4.37Å; F178-L186 HydrophobicContact CD2-CD1 4.48Å; F178-L186 HydrophobicContact CE1-CD1 3.63Å; F178-L186 HydrophobicContact CE2-CD1 3.78Å; F178-L186 HydrophobicContact CZ-CD1 3.3Å; F178-V190 HydrophobicContact CE2-CG1 4.15Å; F178-V190 HydrophobicContact CZ-CG1 4Å; F178-A205 HydrophobicContact CD1-CB 4.28Å; F178-A205 HydrophobicContact CE1-CB 3.71Å; F178-A205 HydrophobicContact CZ-CB 4.26Å; F178-L206 HydrophobicContact CZ-CD2 4.3Å
179	L	93.6	Very high	94.1	Very high	12 Å²	12	35.4 Å²	35.4	6%	0.063	20%	0.202	C	C	.	.	H	α-helix	trans	-67.7	-26.3	177.7	-58.8	177.4	0	0	0	112	D176 G177 R208 W209 H213	D176-L179 WeakPolarHBondContact O-CB 3.4Å; D176-L179 PolarHBondContact O-N 2.92Å; G177-L179 VanDerWaalsContact C-N 3.31Å; L179-R208 HydrophobicContact CD2-CB 3.79Å; L179-W209 HydrophobicContact CD2-CB 4.26Å; L179-W209 VanDerWaalsContact O-CD1 3.31Å; L179-W209 PolarHBondContact O-NE1 3.31Å; L179-H213 PolarHBondContact O-CE1 3.01Å; L179-H213 VanDerWaalsContact O-CE1 3.25Å
180	S	90.8	Very high	94.1	Very high	60 Å²	60	35.4 Å²	35.4	42%	0.42	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	2.5	178.5	71	0	0	0	0	114.9	D176 G177 F178	D176-S180 PolarHBondContact O-N 2.83Å; G177-S180 PolarHBondContact O-N 3.02Å; G177-S180 PolarHBondContact O-OG 3.12Å; F178-S180 PolarHBondContact O-N 3.4Å
181	L	93.1	Very high	94.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.21	C	C	.	.			trans	-65	139.7	178	-75.2	172	0	0	0	111.6	C143 F146 D147 F178 A185 L186 W209	C143-L181 HydrophobicContact CB-CD1 4.4Å; C143-L181 HydrophobicContact CB-CD2 3.71Å; C143-L181 HydrophobicContact CB-CG 3.94Å; C143-L181 WeakPolarHBondContact O-CD2 3.14Å; F146-L181 HydrophobicContact CD1-CD2 4.33Å; D147-L181 HydrophobicContact CB-CD2 4.44Å; F178-L181 HydrophobicContact CD2-CD1 3.77Å; F178-L181 HydrophobicContact CE2-CD1 4.16Å; F178-L181 HydrophobicContact CG-CD1 4.33Å; F178-L181 PolarHBondContact O-N 3.34Å; L181-A185 HydrophobicContact CD2-CB 4.03Å; L181-L186 HydrophobicContact CB-CB 4.21Å; L181-L186 HydrophobicContact CB-CD1 4.43Å; L181-L186 HydrophobicContact CD1-CD1 4.15Å; L181-W209 PolarHBondContact O-NE1 2.69Å
182	S	91.7	Very high	94.2	Very high	45 Å²	45	36.7 Å²	36.7	32%	0.315	20%	0.197	S	C	.	.			trans	-61.2	153.3	165.5	74.1	0	0	0	0	111	D147 V184 A185 L186	D147-S182 WeakPolarHBondContact OD1-CB 3.41Å; D147-S182 PolarHBondContact OD1-OG 2.99Å; S182-V184 PolarHBondContact O-N 2.98Å; S182-A185 PolarHBondContact O-N 3.35Å; S182-A185 WeakPolarHBondContact OG-CB 3.48Å; S182-A185 PolarHBondContact OG-N 2.83Å; S182-L186 VanDerWaalsContact O-CB 3.3Å; S182-L186 WeakPolarHBondContact O-CB 3.32Å; S182-L186 PolarHBondContact O-N 2.94Å
183	K	91.8	Very high	94.1	Very high	57 Å²	57	40 Å²	40	25%	0.248	22%	0.215	C	C	.	.	H	α-helix	trans	-52.5	-41.4	178	-177.8	-174	174.1	-177.5	0	112.3	L187 W209 V217 E221 V222	K183-L187 HydrophobicContact CG-CD1 4.04Å; K183-L187 WeakPolarHBondContact O-CB 3.44Å; K183-L187 WeakPolarHBondContact O-CG 3.49Å; K183-L187 PolarHBondContact O-N 3.12Å; K183-W209 HydrophobicContact CB-CH2 4.05Å; K183-W209 HydrophobicContact CB-CZ2 4.37Å; K183-W209 HydrophobicContact CG-CH2 4.42Å; K183-V217 HydrophobicContact CD-CG1 4.23Å; K183-E221 WeakPolarHBondContact CE-OE2 2.98Å; K183-E221 IonicContact NZ-OE2 3.44Å; K183-E221 PolarHBondContact NZ-OE2 3.27Å; K183-V222 HydrophobicContact CG-CG2 4.33Å
184	V	90.9	Very high	94.1	Very high	99 Å²	99	40.5 Å²	40.5	60%	0.6	22%	0.219	S	C	*	.	H	α-helix	trans	-66.9	-47.5	-178.8	177.8	0	0	0	0	110.7	S182 T188	S182-V184 PolarHBondContact O-N 2.98Å; V184-T188 WeakPolarHBondContact O-CB 3.35Å; V184-T188 PolarHBondContact O-N 2.83Å; V184-T188 PolarHBondContact O-OG1 2.99Å
185	A	92.9	Very high	94.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-44.7	177.6	0	0	0	0	0	111.6	F146 D147 L181 S182 L187 T188 V189	F146-A185 HydrophobicContact CD1-CB 3.95Å; F146-A185 HydrophobicContact CE1-CB 3.76Å; D147-A185 HydrophobicContact CB-CB 4.49Å; D147-A185 WeakPolarHBondContact OD1-CB 3.47Å; L181-A185 HydrophobicContact CD2-CB 4.03Å; S182-A185 PolarHBondContact O-N 3.35Å; S182-A185 WeakPolarHBondContact OG-CB 3.48Å; S182-A185 PolarHBondContact OG-N 2.83Å; A185-L187 PolarHBondContact O-N 3.24Å; A185-T188 WeakPolarHBondContact O-CB 3.28Å; A185-T188 PolarHBondContact O-N 3.49Å; A185-T188 VanDerWaalsContact O-N 3.14Å; A185-V189 WeakPolarHBondContact O-CG2 3.44Å; A185-V189 PolarHBondContact O-N 3.34Å
186	L	94.9	Very high	94.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-52.4	-56.7	175.5	-177.1	79.6	0	0	0	111.2	F178 L181 S182 T188 V189 V190 L206 W209 V222	F178-L186 HydrophobicContact CD1-CD1 4.37Å; F178-L186 HydrophobicContact CD2-CD1 4.48Å; F178-L186 HydrophobicContact CE1-CD1 3.63Å; F178-L186 HydrophobicContact CE2-CD1 3.78Å; F178-L186 HydrophobicContact CZ-CD1 3.3Å; L181-L186 HydrophobicContact CB-CB 4.21Å; L181-L186 HydrophobicContact CB-CD1 4.43Å; L181-L186 HydrophobicContact CD1-CD1 4.15Å; S182-L186 VanDerWaalsContact O-CB 3.3Å; S182-L186 WeakPolarHBondContact O-CB 3.32Å; S182-L186 PolarHBondContact O-N 2.94Å; L186-T188 VanDerWaalsContact C-N 3.27Å; L186-T188 PolarHBondContact O-N 3.29Å; L186-V189 PolarHBondContact O-N 3.28Å; L186-V189 VanDerWaalsContact O-N 3.12Å; L186-V190 WeakPolarHBondContact O-CG2 3.41Å; L186-V190 PolarHBondContact O-N 2.92Å; L186-L206 HydrophobicContact CD1-CD2 4.01Å; L186-L206 HydrophobicContact CD2-CD2 3.76Å; L186-L206 HydrophobicContact CG-CD2 4Å; L186-W209 HydrophobicContact CD1-CG 4.22Å; L186-W209 HydrophobicContact CD2-CD2 3.51Å; L186-W209 HydrophobicContact CD2-CE3 3.7Å; L186-W209 HydrophobicContact CD2-CG 3.97Å; L186-W209 HydrophobicContact CD2-CH2 4.2Å; L186-W209 HydrophobicContact CD2-CZ2 4.03Å; L186-W209 HydrophobicContact CD2-CZ3 4.04Å; L186-V222 HydrophobicContact CD2-CG1 3.95Å
187	L	94.9	Very high	94.2	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.042	17%	0.173	C	C	.	.	H	α-helix	trans	-61.5	-36.2	179.5	-73.5	174.3	0	0	0	112	K183 A185 V189 R191 E221 A225	K183-L187 HydrophobicContact CG-CD1 4.04Å; K183-L187 WeakPolarHBondContact O-CB 3.44Å; K183-L187 WeakPolarHBondContact O-CG 3.49Å; K183-L187 PolarHBondContact O-N 3.12Å; A185-L187 PolarHBondContact O-N 3.24Å; L187-V189 VanDerWaalsContact C-N 3.34Å; L187-R191 WeakPolarHBondContact O-CB 3.44Å; L187-R191 WeakPolarHBondContact O-CD 3.48Å; L187-R191 WeakPolarHBondContact O-CG 3.48Å; L187-R191 PolarHBondContact O-N 2.78Å; L187-E221 HydrophobicContact CD1-CG 4.3Å; L187-E221 WeakPolarHBondContact CD1-OE1 3.17Å; L187-A225 HydrophobicContact CD2-CB 3.97Å
188	T	94.4	Very high	94.3	Very high	64 Å²	64	33 Å²	33	39%	0.393	19%	0.187	S	C	.	.	H	α-helix	trans	-63.3	-40.4	175.7	-57.4	0	0	0	0	111.3	F146 V184 A185 L186 R192	F146-T188 HydrophobicContact CZ-CG2 3.91Å; V184-T188 WeakPolarHBondContact O-CB 3.35Å; V184-T188 PolarHBondContact O-N 2.83Å; V184-T188 PolarHBondContact O-OG1 2.99Å; A185-T188 WeakPolarHBondContact O-CB 3.28Å; A185-T188 PolarHBondContact O-N 3.49Å; A185-T188 VanDerWaalsContact O-N 3.14Å; L186-T188 VanDerWaalsContact C-N 3.27Å; L186-T188 PolarHBondContact O-N 3.29Å; T188-R192 VanDerWaalsContact O-CG 3.29Å; T188-R192 WeakPolarHBondContact O-CG 3.38Å
189	V	95.4	Very high	94.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-69.3	-56.4	176.4	175.3	0	0	0	0	110.6	F146 M165 A185 L186 L187 R191 R192 F195	F146-V189 HydrophobicContact CD1-CG2 3.9Å; F146-V189 HydrophobicContact CE1-CG2 3.48Å; F146-V189 VanDerWaalsContact CE1-CG2 3.48Å; F146-V189 HydrophobicContact CZ-CG2 4Å; M165-V189 HydrophobicContact CE-CG2 4.37Å; M165-V189 HydrophobicContact SD-CG1 4.08Å; M165-V189 HydrophobicContact SD-CG2 3.61Å; A185-V189 WeakPolarHBondContact O-CG2 3.44Å; A185-V189 PolarHBondContact O-N 3.34Å; L186-V189 PolarHBondContact O-N 3.28Å; L186-V189 VanDerWaalsContact O-N 3.12Å; L187-V189 VanDerWaalsContact C-N 3.34Å; V189-R191 VanDerWaalsContact C-N 3.3Å; V189-R191 PolarHBondContact O-N 3.38Å; V189-R192 PolarHBondContact O-N 3.4Å; V189-R192 PolarHBondContact O-NE 3.21Å; V189-F195 HydrophobicContact CG1-CD1 4.36Å; V189-F195 HydrophobicContact CG1-CD2 3.71Å; V189-F195 HydrophobicContact CG1-CE1 4.27Å; V189-F195 HydrophobicContact CG1-CE2 3.61Å; V189-F195 HydrophobicContact CG1-CG 4.08Å; V189-F195 HydrophobicContact CG1-CZ 3.91Å
190	V	96	Very high	94.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-76.4	-9.3	-170.7	-56.4	0	0	0	0	114	F178 L186 I202 L206 A225 R269	F178-V190 HydrophobicContact CE2-CG1 4.15Å; F178-V190 HydrophobicContact CZ-CG1 4Å; L186-V190 WeakPolarHBondContact O-CG2 3.41Å; L186-V190 PolarHBondContact O-N 2.92Å; V190-I202 HydrophobicContact CB-CG2 4.44Å; V190-I202 HydrophobicContact CG1-CG2 4.45Å; V190-L206 HydrophobicContact CG1-CD2 4.3Å; V190-L206 HydrophobicContact CG2-CD2 4.47Å; V190-A225 HydrophobicContact CG2-CB 3.69Å; V190-R269 PolarHBondContact O-NH1 2.75Å; V190-R269 PolarHBondContact O-NH2 2.84Å
191	R	95.9	Very high	94.8	Very high	119 Å²	119	36.8 Å²	36.8	45%	0.449	20%	0.197	S	C	.	.	H	α-helix	trans	-85.2	-17.3	173.8	-73.9	174.3	175	161.7	1.8	113.1	L187 V189 E221 A225 R227	L187-R191 WeakPolarHBondContact O-CB 3.44Å; L187-R191 WeakPolarHBondContact O-CD 3.48Å; L187-R191 WeakPolarHBondContact O-CG 3.48Å; L187-R191 PolarHBondContact O-N 2.78Å; V189-R191 VanDerWaalsContact C-N 3.3Å; V189-R191 PolarHBondContact O-N 3.38Å; R191-E221 IonicContact CZ-OE1 3.73Å; R191-E221 IonicContact NH1-OE1 2.74Å; R191-E221 IonicContact NH2-OE1 2.75Å; R191-E221 PolarHBondContact NH2-OE1 3.07Å; R191-A225 HydrophobicContact CG-CB 4.19Å; R191-R227 PolarHBondContact O-NH2 2.68Å; R191-R227 VanDerWaalsContact O-NH2 3.15Å
192	R	96.1	Very high	95	Very high	46 Å²	46	36.8 Å²	36.8	17%	0.174	20%	0.197	C	C	.	.			trans	-69	134.9	-177.7	-64.8	178.5	-54.3	139.5	-0.8	112.7	C162 D166 T188 V189 S194 F195 R269	C162-R192 PolarHBondContact O-NH1 3.09Å; C162-R192 PolarHBondContact SG-NH1 2.99Å; C162-R192 VanDerWaalsContact SG-NH1 3.44Å; D166-R192 IonicContact OD1-CZ 2.99Å; D166-R192 IonicContact OD1-NH1 2.83Å; D166-R192 PolarHBondContact OD1-NH1 3.26Å; D166-R192 IonicContact OD1-NH2 3.62Å; D166-R192 PolarHBondContact OD1-NH2 3.05Å; D166-R192 IonicContact OD2-CZ 3.58Å; D166-R192 IonicContact OD2-NH1 3.63Å; D166-R192 PolarHBondContact OD2-NH1 3.29Å; D166-R192 IonicContact OD2-NH2 2.64Å; T188-R192 VanDerWaalsContact O-CG 3.29Å; T188-R192 WeakPolarHBondContact O-CG 3.38Å; V189-R192 PolarHBondContact O-N 3.4Å; V189-R192 PolarHBondContact O-NE 3.21Å; R192-S194 PolarHBondContact O-N 3.25Å; R192-F195 HydrophobicContact CB-CB 4.45Å; R192-F195 PolarHBondContact O-N 2.86Å; R192-R269 PolarHBondContact O-NH1 2.95Å
193	D	95.9	Very high	95.2	Very high	68 Å²	68	34.7 Å²	34.7	36%	0.364	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.5	174.5	-61.6	-31.8	0	0	0	112.4	F195 R227 N267 R269 G270 I332	D193-F195 VanDerWaalsContact C-N 3.33Å; D193-R227 IonicContact OD1-CZ 3.63Å; D193-R227 IonicContact OD1-NH1 3.79Å; D193-R227 PolarHBondContact OD1-NH1 3.41Å; D193-R227 IonicContact OD1-NH2 2.92Å; D193-R227 PolarHBondContact OD1-NH2 2.97Å; D193-N267 PolarHBondContact OD1-ND2 3.43Å; D193-N267 PolarHBondContact OD1-OD1 3.23Å; D193-R269 CarbonylContact O-C 3.57Å; D193-R269 VanDerWaalsContact O-CA 3.22Å; D193-R269 WeakPolarHBondContact O-CA 3.18Å; D193-R269 WeakPolarHBondContact O-CB 3.22Å; D193-G270 PolarHBondContact O-N 3.49Å; D193-I332 HydrophobicContact CB-CD1 3.82Å
194	S	96.6	Very high	95.5	Very high	13 Å²	13	36.1 Å²	36.1	9%	0.091	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-14.7	-179	58.9	0	0	0	0	114.6	D166 R192 A196 G270	D166-S194 VanDerWaalsContact CG-OG 3.27Å; D166-S194 VanDerWaalsContact OD2-CB 3.25Å; D166-S194 WeakPolarHBondContact OD2-CB 3.48Å; D166-S194 PolarHBondContact OD2-OG 3.12Å; R192-S194 PolarHBondContact O-N 3.25Å; S194-A196 VanDerWaalsContact C-N 3.26Å; S194-A196 PolarHBondContact O-N 2.94Å; S194-G270 WeakPolarHBondContact CA-O 3.33Å
195	F	96.6	Very high	95.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.			trans	-78.3	77.2	179.8	-166.8	-105.7	0	0	0	110.2	M165 D166 A169 V172 L173 V189 R192 D193 A197 R269	M165-F195 HydrophobicContact CB-CD2 4.44Å; M165-F195 HydrophobicContact CB-CE2 4.12Å; D166-F195 WeakPolarHBondContact OD1-CA 3.25Å; A169-F195 HydrophobicContact CB-CD1 4.27Å; A169-F195 HydrophobicContact CB-CD2 3.74Å; A169-F195 HydrophobicContact CB-CE1 4.09Å; A169-F195 HydrophobicContact CB-CE2 3.54Å; A169-F195 HydrophobicContact CB-CG 4.11Å; A169-F195 HydrophobicContact CB-CZ 3.74Å; V172-F195 HydrophobicContact CG1-CZ 4.46Å; L173-F195 HydrophobicContact CD1-CE1 4.04Å; L173-F195 HydrophobicContact CD2-CE1 3.84Å; L173-F195 HydrophobicContact CD2-CZ 4.22Å; L173-F195 HydrophobicContact CG-CE1 3.79Å; L173-F195 HydrophobicContact CG-CZ 3.93Å; V189-F195 HydrophobicContact CG1-CD1 4.36Å; V189-F195 HydrophobicContact CG1-CD2 3.71Å; V189-F195 HydrophobicContact CG1-CE1 4.27Å; V189-F195 HydrophobicContact CG1-CE2 3.61Å; V189-F195 HydrophobicContact CG1-CG 4.08Å; V189-F195 HydrophobicContact CG1-CZ 3.91Å; R192-F195 HydrophobicContact CB-CB 4.45Å; R192-F195 PolarHBondContact O-N 2.86Å; D193-F195 VanDerWaalsContact C-N 3.33Å; F195-A197 PolarHBondContact O-N 3.14Å; F195-R269 VanDerWaalsContact O-CD 3.27Å; F195-R269 WeakPolarHBondContact O-CD 3.36Å
196	A	94.3	Very high	95.9	Very high	33 Å²	33	31.4 Å²	31.4	27%	0.273	16%	0.161	S	C	.	.			trans	-79.7	81.7	-163.9	0	0	0	0	0	113.4	S194 M271	S194-A196 VanDerWaalsContact C-N 3.26Å; S194-A196 PolarHBondContact O-N 2.94Å; A196-M271 HydrophobicContact CB-CB 4.39Å
197	A	95	Very high	95.9	Very high	15 Å²	15	32.1 Å²	32.1	12%	0.124	17%	0.166	C	C	.	.			trans	-129	163.2	169.3	0	0	0	0	0	110.7	A169 L173 F195 I202	A169-A197 HydrophobicContact CB-CB 4.32Å; L173-A197 HydrophobicContact CD1-CB 3.43Å; L173-A197 VanDerWaalsContact CD1-CB 3.43Å; F195-A197 PolarHBondContact O-N 3.14Å; A197-I202 HydrophobicContact CB-CD1 4.31Å; A197-I202 HydrophobicContact CB-CG1 4.05Å
198	S	95.1	Very high	95.8	Very high	53 Å²	53	35.3 Å²	35.3	37%	0.371	18%	0.177	S	C	.	.			trans	-67.7	144.3	175.4	68.8	0	0	0	0	110.6	K200 E201 I202	S198-K200 PolarHBondContact O-N 3.33Å; S198-K200 VanDerWaalsContact O-N 3.13Å; S198-E201 WeakPolarHBondContact CB-OE2 3.19Å; S198-E201 PolarHBondContact N-OE2 3.38Å; S198-E201 VanDerWaalsContact N-OE2 3.07Å; S198-E201 PolarHBondContact O-N 3.49Å; S198-E201 WeakPolarHBondContact OG-CB 3.28Å; S198-E201 WeakPolarHBondContact OG-CG 3.24Å; S198-E201 PolarHBondContact OG-N 3.08Å; S198-E201 PolarHBondContact OG-OE2 3.13Å; S198-I202 WeakPolarHBondContact O-CG1 3.38Å; S198-I202 PolarHBondContact O-N 2.97Å
199	E	95.9	Very high	95.9	Very high	10 Å²	10	32.4 Å²	32.4	5%	0.047	16%	0.159	C	C	.	.	H	α-helix	trans	-60.6	-25.9	177.5	-69.6	-59.7	149.9	0	0	112.4	F203 V226 R227 L230 M231 R269	E199-F203 WeakPolarHBondContact O-CB 3.45Å; E199-F203 PolarHBondContact O-N 3.13Å; E199-V226 HydrophobicContact CB-CG1 4.34Å; E199-V226 WeakPolarHBondContact OE2-CA 3.42Å; E199-V226 WeakPolarHBondContact OE2-CG1 3.33Å; E199-R227 HydrophobicContact CG-CB 4.02Å; E199-R227 WeakPolarHBondContact OE1-CG 3.01Å; E199-R227 PolarHBondContact OE2-N 3.06Å; E199-L230 HydrophobicContact CG-CB 3.88Å; E199-L230 HydrophobicContact CG-CD1 4.18Å; E199-M231 HydrophobicContact CB-CG 3.58Å; E199-M231 HydrophobicContact CB-SD 4.26Å; E199-R269 WeakPolarHBondContact OE1-CD 3.45Å; E199-R269 IonicContact OE1-CZ 3.71Å; E199-R269 IonicContact OE1-NE 3.93Å; E199-R269 PolarHBondContact OE1-NE 2.76Å; E199-R269 IonicContact OE1-NH2 3.78Å
200	K	96.3	Very high	95.7	Very high	71 Å²	71	32.8 Å²	32.8	31%	0.309	16%	0.162	S	C	.	.	H	α-helix	trans	-62.3	-49	170.7	-179	-168.4	175.7	-178.7	0	112	S198 F203 Q204 M231 E235	S198-K200 PolarHBondContact O-N 3.33Å; S198-K200 VanDerWaalsContact O-N 3.13Å; K200-F203 PolarHBondContact O-N 3.44Å; K200-Q204 VanDerWaalsContact O-CG 3.3Å; K200-Q204 WeakPolarHBondContact O-CG 3.31Å; K200-Q204 PolarHBondContact O-N 2.77Å; K200-M231 HydrophobicContact CB-CE 4.2Å; K200-E235 HydrophobicContact CD-CG 4.03Å; K200-E235 WeakPolarHBondContact CD-OE1 3.49Å; K200-E235 HydrophobicContact CG-CG 4.4Å
201	E	96.5	Very high	95.4	Very high	71 Å²	71	38.8 Å²	38.8	33%	0.332	19%	0.19	S	C	.	.	H	α-helix	trans	-65.5	-42.3	179.5	-72.6	162.4	141.1	0	0	111.2	L173 S198 Q204 A205	L173-E201 HydrophobicContact CD1-CB 4.13Å; S198-E201 WeakPolarHBondContact CB-OE2 3.19Å; S198-E201 PolarHBondContact N-OE2 3.38Å; S198-E201 VanDerWaalsContact N-OE2 3.07Å; S198-E201 PolarHBondContact O-N 3.49Å; S198-E201 WeakPolarHBondContact OG-CB 3.28Å; S198-E201 WeakPolarHBondContact OG-CG 3.24Å; S198-E201 PolarHBondContact OG-N 3.08Å; S198-E201 PolarHBondContact OG-OE2 3.13Å; E201-Q204 PolarHBondContact O-N 3.29Å; E201-A205 WeakPolarHBondContact O-CB 3.44Å; E201-A205 PolarHBondContact O-N 2.93Å
202	I	97.4	Very high	95	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.1	-50.9	175.2	-63.7	170.9	0	0	0	109.6	L173 V190 A197 S198 Q204 A205 L206 V226	L173-I202 HydrophobicContact CD1-CG1 3.93Å; L173-I202 HydrophobicContact CD2-CG1 4.5Å; V190-I202 HydrophobicContact CB-CG2 4.44Å; V190-I202 HydrophobicContact CG1-CG2 4.45Å; A197-I202 HydrophobicContact CB-CD1 4.31Å; A197-I202 HydrophobicContact CB-CG1 4.05Å; S198-I202 WeakPolarHBondContact O-CG1 3.38Å; S198-I202 PolarHBondContact O-N 2.97Å; I202-Q204 VanDerWaalsContact C-N 3.34Å; I202-Q204 PolarHBondContact O-N 3.3Å; I202-A205 PolarHBondContact O-N 2.9Å; I202-L206 HydrophobicContact CG2-CD1 4.02Å; I202-L206 HydrophobicContact CG2-CG 4.35Å; I202-L206 WeakPolarHBondContact O-CG 3.32Å; I202-L206 PolarHBondContact O-N 3.37Å; I202-V226 HydrophobicContact CG2-CG2 4.38Å
203	F	97.3	Very high	94.4	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.009	20%	0.202	C	C	.	.	H	α-helix	trans	-56.1	-47.2	177.7	179.6	-96.3	0	0	0	112.2	E199 K200 A205 L206 C207 M223 V226 V239 V240 S243 V246	E199-F203 WeakPolarHBondContact O-CB 3.45Å; E199-F203 PolarHBondContact O-N 3.13Å; K200-F203 PolarHBondContact O-N 3.44Å; F203-A205 VanDerWaalsContact C-N 3.35Å; F203-A205 PolarHBondContact O-N 3.25Å; F203-L206 PolarHBondContact O-N 3.15Å; F203-C207 WeakPolarHBondContact CE1-SG 3.46Å; F203-C207 PolarHBondContact O-N 2.73Å; F203-C207 PolarHBondContact O-SG 2.66Å; F203-M223 HydrophobicContact CD2-SD 4.11Å; F203-M223 HydrophobicContact CE2-SD 3.82Å; F203-V226 HydrophobicContact CB-CG1 4.12Å; F203-V226 HydrophobicContact CB-CG2 4.28Å; F203-V226 HydrophobicContact CD2-CG1 4.33Å; F203-V226 HydrophobicContact CD2-CG2 4.15Å; F203-V239 HydrophobicContact CD1-CG1 4.01Å; F203-V239 HydrophobicContact CE1-CG1 4.14Å; F203-V240 HydrophobicContact CD1-CG2 4.2Å; F203-V240 HydrophobicContact CD2-CG2 4.26Å; F203-V240 HydrophobicContact CE1-CB 4.29Å; F203-V240 HydrophobicContact CE1-CG2 4.04Å; F203-V240 HydrophobicContact CE2-CB 4.33Å; F203-V240 HydrophobicContact CE2-CG1 3.83Å; F203-V240 HydrophobicContact CE2-CG2 4.13Å; F203-V240 HydrophobicContact CG-CG2 4.3Å; F203-V240 HydrophobicContact CZ-CB 3.96Å; F203-V240 HydrophobicContact CZ-CG1 3.79Å; F203-V240 HydrophobicContact CZ-CG2 3.99Å; F203-S243 WeakPolarHBondContact CZ-OG 3.29Å; F203-V246 HydrophobicContact CE2-CG2 3.89Å
204	Q	96.4	Very high	93	Very high	86 Å²	86	44.4 Å²	44.4	40%	0.402	22%	0.221	S	C	.	.	H	α-helix	trans	-63.5	-38.6	178.9	-73.3	177.6	-37.4	0	0	112.7	K200 E201 I202 C207 R208 V239	K200-Q204 VanDerWaalsContact O-CG 3.3Å; K200-Q204 WeakPolarHBondContact O-CG 3.31Å; K200-Q204 PolarHBondContact O-N 2.77Å; E201-Q204 PolarHBondContact O-N 3.29Å; I202-Q204 VanDerWaalsContact C-N 3.34Å; I202-Q204 PolarHBondContact O-N 3.3Å; Q204-C207 PolarHBondContact O-N 3.23Å; Q204-R208 PolarHBondContact O-N 3.15Å; Q204-R208 VanDerWaalsContact O-N 3.15Å; Q204-V239 HydrophobicContact CG-CG1 4.13Å
205	A	96.8	Very high	91.4	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-66.8	-41.5	175.6	0	0	0	0	0	111.9	L173 F178 E201 I202 F203 R208 W209	L173-A205 HydrophobicContact CB-CB 4.13Å; L173-A205 HydrophobicContact CD2-CB 3.49Å; L173-A205 VanDerWaalsContact CD2-CB 3.49Å; L173-A205 HydrophobicContact CG-CB 4.38Å; F178-A205 HydrophobicContact CD1-CB 4.28Å; F178-A205 HydrophobicContact CE1-CB 3.71Å; F178-A205 HydrophobicContact CZ-CB 4.26Å; E201-A205 WeakPolarHBondContact O-CB 3.44Å; E201-A205 PolarHBondContact O-N 2.93Å; I202-A205 PolarHBondContact O-N 2.9Å; F203-A205 VanDerWaalsContact C-N 3.35Å; F203-A205 PolarHBondContact O-N 3.25Å; A205-R208 PolarHBondContact O-N 3.49Å; A205-W209 PolarHBondContact O-N 3.32Å
206	L	96.3	Very high	89.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.7	-38	175.7	-66.1	-179.9	0	0	0	112.1	F178 L186 V190 I202 F203 R208 W209 C210 V222 M223 V226	F178-L206 HydrophobicContact CZ-CD2 4.3Å; L186-L206 HydrophobicContact CD1-CD2 4.01Å; L186-L206 HydrophobicContact CD2-CD2 3.76Å; L186-L206 HydrophobicContact CG-CD2 4Å; V190-L206 HydrophobicContact CG1-CD2 4.3Å; V190-L206 HydrophobicContact CG2-CD2 4.47Å; I202-L206 HydrophobicContact CG2-CD1 4.02Å; I202-L206 HydrophobicContact CG2-CG 4.35Å; I202-L206 WeakPolarHBondContact O-CG 3.32Å; I202-L206 PolarHBondContact O-N 3.37Å; F203-L206 PolarHBondContact O-N 3.15Å; L206-R208 VanDerWaalsContact C-N 3.34Å; L206-R208 PolarHBondContact O-N 3.2Å; L206-W209 PolarHBondContact O-N 3.31Å; L206-C210 WeakPolarHBondContact O-CB 3.42Å; L206-C210 PolarHBondContact O-N 2.82Å; L206-C210 PolarHBondContact O-SG 2.63Å; L206-V222 HydrophobicContact CB-CG1 4.25Å; L206-V222 HydrophobicContact CD1-CG1 4.26Å; L206-V222 HydrophobicContact CD2-CG1 3.82Å; L206-V222 HydrophobicContact CG-CG1 4.33Å; L206-M223 HydrophobicContact CB-CE 4.15Å; L206-M223 HydrophobicContact CB-SD 4.48Å; L206-V226 HydrophobicContact CD1-CG2 3.55Å
207	C	94.3	Very high	88.8	Confident	14 Å²	14	55.9 Å²	55.9	10%	0.095	30%	0.299	C	S	.	.	H	α-helix	trans	-56.8	-47	171	-72.1	0	0	0	0	111.6	F203 Q204 C210 Q211 L245	F203-C207 WeakPolarHBondContact CE1-SG 3.46Å; F203-C207 PolarHBondContact O-N 2.73Å; F203-C207 PolarHBondContact O-SG 2.66Å; Q204-C207 PolarHBondContact O-N 3.23Å; C207-C210 PolarHBondContact O-N 3.02Å; C207-Q211 VanDerWaalsContact O-CG 3.28Å; C207-Q211 WeakPolarHBondContact O-CG 3.42Å; C207-Q211 PolarHBondContact O-N 2.95Å; C207-Q211 VanDerWaalsContact O-N 3.09Å; C207-L245 HydrophobicContact CB-CD1 4.21Å
208	R	94.3	Very high	88.2	Confident	75 Å²	75	59 Å²	59	28%	0.283	31%	0.314	S	S	.	.	H	α-helix	trans	-63.7	-40.6	177	-72.1	-171.1	-67.4	127.8	1.6	112.2	L173 L179 Q204 A205 L206 Q211 Q212	L173-R208 PolarHBondContact O-NH2 2.94Å; L179-R208 HydrophobicContact CD2-CB 3.79Å; Q204-R208 PolarHBondContact O-N 3.15Å; Q204-R208 VanDerWaalsContact O-N 3.15Å; A205-R208 PolarHBondContact O-N 3.49Å; L206-R208 VanDerWaalsContact C-N 3.34Å; L206-R208 PolarHBondContact O-N 3.2Å; R208-Q211 PolarHBondContact O-N 3.39Å; R208-Q212 PolarHBondContact O-N 2.69Å
209	W	95.1	Very high	87.8	Confident	3 Å²	3	59.1 Å²	59.1	1%	0.011	31%	0.312	C	S	.	.	H	α-helix	trans	-63.9	-45	177.6	-176.3	96.5	0	0	0	111.6	L179 L181 K183 L186 A205 L206 Q211 Q212 H213 V217 V222	L179-W209 HydrophobicContact CD2-CB 4.26Å; L179-W209 VanDerWaalsContact O-CD1 3.31Å; L179-W209 PolarHBondContact O-NE1 3.31Å; L181-W209 PolarHBondContact O-NE1 2.69Å; K183-W209 HydrophobicContact CB-CH2 4.05Å; K183-W209 HydrophobicContact CB-CZ2 4.37Å; K183-W209 HydrophobicContact CG-CH2 4.42Å; L186-W209 HydrophobicContact CD1-CG 4.22Å; L186-W209 HydrophobicContact CD2-CD2 3.51Å; L186-W209 HydrophobicContact CD2-CE3 3.7Å; L186-W209 HydrophobicContact CD2-CG 3.97Å; L186-W209 HydrophobicContact CD2-CH2 4.2Å; L186-W209 HydrophobicContact CD2-CZ2 4.03Å; L186-W209 HydrophobicContact CD2-CZ3 4.04Å; A205-W209 PolarHBondContact O-N 3.32Å; L206-W209 PolarHBondContact O-N 3.31Å; W209-Q211 VanDerWaalsContact C-N 3.34Å; W209-Q211 PolarHBondContact O-N 3.32Å; W209-Q212 PolarHBondContact O-N 3.45Å; W209-Q212 VanDerWaalsContact O-N 3.14Å; W209-H213 AromaticContact CD2-ND1 3.99Å; W209-H213 AromaticContact CE2-CE1 3.89Å; W209-H213 AromaticContact CE2-ND1 3.75Å; W209-H213 HydrophobicContact CH2-CB 4.39Å; W209-H213 HydrophobicContact CZ3-CB 4.45Å; W209-H213 AromaticContact NE1-CE1 3.74Å; W209-H213 AromaticContact NE1-ND1 3.97Å; W209-H213 PolarHBondContact O-N 2.98Å; W209-H213 PolarHBondContact O-ND1 2.68Å; W209-V217 HydrophobicContact CH2-CG1 3.79Å; W209-V217 HydrophobicContact CH2-CG2 4.34Å; W209-V217 HydrophobicContact CZ3-CG1 3.74Å; W209-V222 HydrophobicContact CE3-CG1 4.35Å; W209-V222 HydrophobicContact CZ3-CG1 4.45Å; W209-V222 HydrophobicContact CZ3-CG2 3.91Å
210	C	92.2	Very high	87.4	Confident	9 Å²	9	65 Å²	65	6%	0.061	34%	0.34	C	S	.	.	H	α-helix	trans	-62.9	-37.3	177.3	-70.9	0	0	0	0	112.6	L206 C207 Q212 H213 T219 M223	L206-C210 WeakPolarHBondContact O-CB 3.42Å; L206-C210 PolarHBondContact O-N 2.82Å; L206-C210 PolarHBondContact O-SG 2.63Å; C207-C210 PolarHBondContact O-N 3.02Å; C210-Q212 PolarHBondContact O-N 3.22Å; C210-H213 CarbonylContact O-C 3.59Å; C210-H213 PolarHBondContact O-N 3.14Å; C210-H213 VanDerWaalsContact O-N 3.14Å; C210-T219 HydrophobicContact CB-CG2 4.31Å; C210-M223 HydrophobicContact CB-CE 4.48Å
211	Q	89.4	Confident	87.2	Confident	125 Å²	125	64.7 Å²	64.7	58%	0.584	34%	0.339	S	S	*	.	H	α-helix	trans	-63.4	-24.2	176.3	-75	169.5	-3.1	0	0	113.3	C207 R208 W209 E214	C207-Q211 VanDerWaalsContact O-CG 3.28Å; C207-Q211 WeakPolarHBondContact O-CG 3.42Å; C207-Q211 PolarHBondContact O-N 2.95Å; C207-Q211 VanDerWaalsContact O-N 3.09Å; R208-Q211 PolarHBondContact O-N 3.39Å; W209-Q211 VanDerWaalsContact C-N 3.34Å; W209-Q211 PolarHBondContact O-N 3.32Å; Q211-E214 WeakPolarHBondContact O-CG 3.46Å
212	Q	87.8	Confident	87.1	Confident	125 Å²	125	61.3 Å²	61.3	58%	0.584	32%	0.324	S	S	*	.	H	α-helix	trans	-88.1	-15.1	175.8	-68.4	-160.7	-13.8	0	0	113.5	R208 W209 C210	R208-Q212 PolarHBondContact O-N 2.69Å; W209-Q212 PolarHBondContact O-N 3.45Å; W209-Q212 VanDerWaalsContact O-N 3.14Å; C210-Q212 PolarHBondContact O-N 3.22Å
213	H	82.8	Confident	86.9	Confident	63 Å²	63	61.8 Å²	61.8	29%	0.292	33%	0.326	S	S	.	.			trans	-120	47.1	-173.3	-66	79.8	0	0	0	111.7	L179 W209 C210 D215 V217	L179-H213 PolarHBondContact O-CE1 3.01Å; L179-H213 VanDerWaalsContact O-CE1 3.25Å; W209-H213 AromaticContact CD2-ND1 3.99Å; W209-H213 AromaticContact CE2-CE1 3.89Å; W209-H213 AromaticContact CE2-ND1 3.75Å; W209-H213 HydrophobicContact CH2-CB 4.39Å; W209-H213 HydrophobicContact CZ3-CB 4.45Å; W209-H213 AromaticContact NE1-CE1 3.74Å; W209-H213 AromaticContact NE1-ND1 3.97Å; W209-H213 PolarHBondContact O-N 2.98Å; W209-H213 PolarHBondContact O-ND1 2.68Å; C210-H213 CarbonylContact O-C 3.59Å; C210-H213 PolarHBondContact O-N 3.14Å; C210-H213 VanDerWaalsContact O-N 3.14Å; H213-D215 PolarHBondContact O-N 3.2Å; H213-D215 VanDerWaalsContact O-N 3.12Å; H213-V217 HydrophobicContact CB-CG2 3.92Å
214	E	67.4	Low	86.7	Confident	164 Å²	164	65.7 Å²	65.7	77%	0.766	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-19.6	-171.7	-64.9	-172.1	158	0	0	114.4	Q211	Q211-E214 WeakPolarHBondContact O-CG 3.46Å
215	D	61.9	Low	86.7	Confident	158 Å²	158	62 Å²	62	85%	0.845	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	110.7	-177.5	-75.2	-32.5	0	0	0	113.2	H213 V217	H213-D215 PolarHBondContact O-N 3.2Å; H213-D215 VanDerWaalsContact O-N 3.12Å; D215-V217 PolarHBondContact O-N 3.48Å
216	G	63.8	Low	86.7	Confident	89 Å²	89	62.4 Å²	62.4	92%	0.918	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	3.1	162.6	0	0	0	0	0	116.9
217	V	72.5	Confident	86.6	Confident	40 Å²	40	64 Å²	64	24%	0.242	35%	0.346	C	S	.	.			trans	-86.8	127.7	176.6	-178.3	0	0	0	0	111.1	K183 W209 H213 D215 T219 V222	K183-V217 HydrophobicContact CD-CG1 4.23Å; W209-V217 HydrophobicContact CH2-CG1 3.79Å; W209-V217 HydrophobicContact CH2-CG2 4.34Å; W209-V217 HydrophobicContact CZ3-CG1 3.74Å; H213-V217 HydrophobicContact CB-CG2 3.92Å; D215-V217 PolarHBondContact O-N 3.48Å; V217-T219 VanDerWaalsContact C-N 3.33Å; V217-T219 PolarHBondContact O-N 2.89Å; V217-V222 HydrophobicContact CG1-CG2 4.36Å
218	D	83.3	Confident	86.7	Confident	81 Å²	81	64.1 Å²	64.1	43%	0.433	35%	0.346	S	S	.	.			trans	-67.7	92.2	167.8	179.8	-6.3	0	0	0	109.6	Q220 E221	D218-Q220 PolarHBondContact O-N 3.21Å; D218-Q220 WeakPolarHBondContact OD1-CB 3.33Å; D218-Q220 PolarHBondContact OD1-N 3.45Å; D218-Q220 VanDerWaalsContact OD1-N 3.07Å; D218-E221 HydrophobicContact CB-CB 4.49Å; D218-E221 PolarHBondContact O-N 2.85Å; D218-E221 PolarHBondContact OD1-N 3.47Å
219	T	86.3	Confident	86.7	Confident	55 Å²	55	62 Å²	62	34%	0.337	34%	0.342	S	S	.	.	H	α-helix	trans	-66.3	-26.3	178.5	52.4	0	0	0	0	112.2	C210 V217 V222 M223	C210-T219 HydrophobicContact CB-CG2 4.31Å; V217-T219 VanDerWaalsContact C-N 3.33Å; V217-T219 PolarHBondContact O-N 2.89Å; T219-V222 PolarHBondContact O-N 3.36Å; T219-M223 WeakPolarHBondContact O-CB 3.45Å; T219-M223 VanDerWaalsContact O-CG 3.27Å; T219-M223 WeakPolarHBondContact O-CG 3.3Å; T219-M223 PolarHBondContact O-N 3.43Å
220	Q	87.8	Confident	86.7	Confident	134 Å²	134	63.7 Å²	63.7	63%	0.626	35%	0.351	S	S	*	.	H	α-helix	trans	-67.3	-43.7	179	-170.4	176.9	1.5	0	0	110.5	D218 V222 M223 S224	D218-Q220 PolarHBondContact O-N 3.21Å; D218-Q220 WeakPolarHBondContact OD1-CB 3.33Å; D218-Q220 PolarHBondContact OD1-N 3.45Å; D218-Q220 VanDerWaalsContact OD1-N 3.07Å; Q220-V222 VanDerWaalsContact C-N 3.31Å; Q220-V222 PolarHBondContact O-N 2.97Å; Q220-M223 PolarHBondContact O-N 3.44Å; Q220-S224 WeakPolarHBondContact O-CB 3.31Å; Q220-S224 PolarHBondContact O-N 3.44Å
221	E	92	Very high	86.8	Confident	64 Å²	64	63.3 Å²	63.3	30%	0.299	35%	0.348	S	S	.	.	H	α-helix	trans	-63.3	-37.5	175	-166.1	-166.8	167.3	0	0	112.5	K183 L187 R191 D218 S224	K183-E221 WeakPolarHBondContact CE-OE2 2.98Å; K183-E221 IonicContact NZ-OE2 3.44Å; K183-E221 PolarHBondContact NZ-OE2 3.27Å; L187-E221 HydrophobicContact CD1-CG 4.3Å; L187-E221 WeakPolarHBondContact CD1-OE1 3.17Å; R191-E221 IonicContact CZ-OE1 3.73Å; R191-E221 IonicContact NH1-OE1 2.74Å; R191-E221 IonicContact NH2-OE1 2.75Å; R191-E221 PolarHBondContact NH2-OE1 3.07Å; D218-E221 HydrophobicContact CB-CB 4.49Å; D218-E221 PolarHBondContact O-N 2.85Å; D218-E221 PolarHBondContact OD1-N 3.47Å; E221-S224 PolarHBondContact O-N 2.98Å; E221-S224 PolarHBondContact O-OG 3.26Å
222	V	93.6	Very high	87	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-66	-46.2	178	176.3	0	0	0	0	110.5	K183 L186 L206 W209 V217 T219 Q220 S224 A225	K183-V222 HydrophobicContact CG-CG2 4.33Å; L186-V222 HydrophobicContact CD2-CG1 3.95Å; L206-V222 HydrophobicContact CB-CG1 4.25Å; L206-V222 HydrophobicContact CD1-CG1 4.26Å; L206-V222 HydrophobicContact CD2-CG1 3.82Å; L206-V222 HydrophobicContact CG-CG1 4.33Å; W209-V222 HydrophobicContact CE3-CG1 4.35Å; W209-V222 HydrophobicContact CZ3-CG1 4.45Å; W209-V222 HydrophobicContact CZ3-CG2 3.91Å; V217-V222 HydrophobicContact CG1-CG2 4.36Å; T219-V222 PolarHBondContact O-N 3.36Å; Q220-V222 VanDerWaalsContact C-N 3.31Å; Q220-V222 PolarHBondContact O-N 2.97Å; V222-S224 VanDerWaalsContact C-N 3.29Å; V222-S224 PolarHBondContact O-N 3.44Å; V222-A225 WeakPolarHBondContact O-CB 3.47Å; V222-A225 PolarHBondContact O-N 3.49Å
223	M	94.1	Very high	87.3	Confident	9 Å²	9	58.2 Å²	58.2	4%	0.044	33%	0.33	C	S	.	.	H	α-helix	trans	-68.6	-27.7	179.4	-67.8	-64.5	160.2	0	0	112.8	F203 L206 C210 T219 Q220 A225 V226 L245 V246	F203-M223 HydrophobicContact CD2-SD 4.11Å; F203-M223 HydrophobicContact CE2-SD 3.82Å; L206-M223 HydrophobicContact CB-CE 4.15Å; L206-M223 HydrophobicContact CB-SD 4.48Å; C210-M223 HydrophobicContact CB-CE 4.48Å; T219-M223 WeakPolarHBondContact O-CB 3.45Å; T219-M223 VanDerWaalsContact O-CG 3.27Å; T219-M223 WeakPolarHBondContact O-CG 3.3Å; T219-M223 PolarHBondContact O-N 3.43Å; Q220-M223 PolarHBondContact O-N 3.44Å; M223-A225 PolarHBondContact O-N 2.9Å; M223-A225 VanDerWaalsContact O-N 3.15Å; M223-V226 WeakPolarHBondContact O-CB 3.42Å; M223-V226 PolarHBondContact O-N 3.38Å; M223-V226 VanDerWaalsContact O-N 3.08Å; M223-L245 HydrophobicContact CE-CB 3.94Å; M223-L245 HydrophobicContact CE-CD1 3.43Å; M223-L245 VanDerWaalsContact CE-CD1 3.43Å; M223-L245 HydrophobicContact CE-CG 4.23Å; M223-L245 HydrophobicContact CG-CB 4.1Å; M223-L245 HydrophobicContact SD-CB 4.22Å; M223-V246 HydrophobicContact CB-CG2 4.21Å; M223-V246 HydrophobicContact CG-CG2 4.47Å
224	S	93.3	Very high	87.8	Confident	84 Å²	84	59.7 Å²	59.7	59%	0.587	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-11.6	175.8	87.8	0	0	0	0	113.5	Q220 E221 V222 V226	Q220-S224 WeakPolarHBondContact O-CB 3.31Å; Q220-S224 PolarHBondContact O-N 3.44Å; E221-S224 PolarHBondContact O-N 2.98Å; E221-S224 PolarHBondContact O-OG 3.26Å; V222-S224 VanDerWaalsContact C-N 3.29Å; V222-S224 PolarHBondContact O-N 3.44Å; S224-V226 VanDerWaalsContact C-N 3.28Å
225	A	95.3	Very high	89.2	Confident	8 Å²	8	54 Å²	54	7%	0.066	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-16.1	173	0	0	0	0	0	113.2	L187 V190 R191 V222 M223 R269	L187-A225 HydrophobicContact CD2-CB 3.97Å; V190-A225 HydrophobicContact CG2-CB 3.69Å; R191-A225 HydrophobicContact CG-CB 4.19Å; V222-A225 WeakPolarHBondContact O-CB 3.47Å; V222-A225 PolarHBondContact O-N 3.49Å; M223-A225 PolarHBondContact O-N 2.9Å; M223-A225 VanDerWaalsContact O-N 3.15Å; A225-R269 PolarHBondContact O-NH2 2.82Å; A225-R269 VanDerWaalsContact O-NH2 3.13Å
226	V	96.4	Very high	90.7	Very high	10 Å²	10	46.6 Å²	46.6	6%	0.061	28%	0.278	C	S	.	.	S	Bend	trans	-79.8	130	176.7	-176.5	0	0	0	0	109.7	E199 I202 F203 L206 M223 S224 L228 M231	E199-V226 HydrophobicContact CB-CG1 4.34Å; E199-V226 WeakPolarHBondContact OE2-CA 3.42Å; E199-V226 WeakPolarHBondContact OE2-CG1 3.33Å; I202-V226 HydrophobicContact CG2-CG2 4.38Å; F203-V226 HydrophobicContact CB-CG1 4.12Å; F203-V226 HydrophobicContact CB-CG2 4.28Å; F203-V226 HydrophobicContact CD2-CG1 4.33Å; F203-V226 HydrophobicContact CD2-CG2 4.15Å; L206-V226 HydrophobicContact CD1-CG2 3.55Å; M223-V226 WeakPolarHBondContact O-CB 3.42Å; M223-V226 PolarHBondContact O-N 3.38Å; M223-V226 VanDerWaalsContact O-N 3.08Å; S224-V226 VanDerWaalsContact C-N 3.28Å; V226-L228 VanDerWaalsContact C-N 3.27Å; V226-L228 HydrophobicContact CB-CD2 4.49Å; V226-L228 HydrophobicContact CG1-CD2 3.92Å; V226-L228 HydrophobicContact CG1-CG 4.4Å; V226-L228 PolarHBondContact O-N 3.06Å; V226-M231 HydrophobicContact CG1-SD 4.19Å
227	R	95.9	Very high	92.1	Very high	33 Å²	33	45.5 Å²	45.5	13%	0.125	25%	0.25	C	S	.	.			trans	-87.6	68	-179.7	-50.4	179	-170.1	-173.9	-4.3	109.4	R191 D193 E199 P229 L230 N267 Y268	R191-R227 PolarHBondContact O-NH2 2.68Å; R191-R227 VanDerWaalsContact O-NH2 3.15Å; D193-R227 IonicContact OD1-CZ 3.63Å; D193-R227 IonicContact OD1-NH1 3.79Å; D193-R227 PolarHBondContact OD1-NH1 3.41Å; D193-R227 IonicContact OD1-NH2 2.92Å; D193-R227 PolarHBondContact OD1-NH2 2.97Å; E199-R227 HydrophobicContact CG-CB 4.02Å; E199-R227 WeakPolarHBondContact OE1-CG 3.01Å; E199-R227 PolarHBondContact OE2-N 3.06Å; R227-P229 VanDerWaalsContact C-N 3.27Å; R227-P229 WeakPolarHBondContact O-CD 3.45Å; R227-L230 HydrophobicContact CB-CD1 3.83Å; R227-L230 HydrophobicContact CB-CG 4.16Å; R227-L230 WeakPolarHBondContact O-CB 3.41Å; R227-L230 PolarHBondContact O-N 3.47Å; R227-N267 WeakPolarHBondContact CD-O 3.48Å; R227-N267 VanDerWaalsContact NH1-CG 3.32Å; R227-N267 PolarHBondContact NH1-ND2 3.38Å; R227-N267 PolarHBondContact NH1-O 2.98Å; R227-N267 PolarHBondContact NH1-OD1 3.06Å; R227-Y268 PolarHBondContact NH1-O 2.89Å
228	L	95	Very high	93.1	Very high	18 Å²	18	49 Å²	49	9%	0.094	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-45.1	-38.8	-175.4	-64.1	173.5	0	0	0	115.2	V226 L230 M231 V240 V246 A254	V226-L228 VanDerWaalsContact C-N 3.27Å; V226-L228 HydrophobicContact CB-CD2 4.49Å; V226-L228 HydrophobicContact CG1-CD2 3.92Å; V226-L228 HydrophobicContact CG1-CG 4.4Å; V226-L228 PolarHBondContact O-N 3.06Å; L228-L230 PolarHBondContact O-N 3.03Å; L228-M231 HydrophobicContact CD2-SD 3.87Å; L228-M231 WeakPolarHBondContact O-CB 3.48Å; L228-M231 PolarHBondContact O-N 2.96Å; L228-V240 HydrophobicContact CD2-CG1 4.09Å; L228-V240 HydrophobicContact CD2-CG2 4.1Å; L228-V246 HydrophobicContact CD1-CG1 3.92Å; L228-A254 HydrophobicContact CB-CB 3.52Å; L228-A254 HydrophobicContact CD1-CB 4.22Å
229	P	94.9	Very high	93.6	Very high	31 Å²	31	46.8 Å²	46.8	20%	0.201	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-58.4	-20.4	176.8	-27.2	37.1	0	0	0	115	R227 A254 R258 L266	R227-P229 VanDerWaalsContact C-N 3.27Å; R227-P229 WeakPolarHBondContact O-CD 3.45Å; P229-A254 HydrophobicContact CG-CB 4.32Å; P229-R258 HydrophobicContact CB-CB 4.26Å; P229-R258 VanDerWaalsContact O-CD 3.3Å; P229-R258 WeakPolarHBondContact O-CD 3.36Å; P229-R258 WeakPolarHBondContact O-CG 3.33Å; P229-L266 HydrophobicContact CB-CD2 4.12Å
230	L	94.7	Very high	94	Very high	38 Å²	38	44.2 Å²	44.2	20%	0.199	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-84.8	-8.8	177.1	-61.2	-179.2	0	0	0	113.7	E199 R227 L228 L266 N267 Y268	E199-L230 HydrophobicContact CG-CB 3.88Å; E199-L230 HydrophobicContact CG-CD1 4.18Å; R227-L230 HydrophobicContact CB-CD1 3.83Å; R227-L230 HydrophobicContact CB-CG 4.16Å; R227-L230 WeakPolarHBondContact O-CB 3.41Å; R227-L230 PolarHBondContact O-N 3.47Å; L228-L230 PolarHBondContact O-N 3.03Å; L230-L266 HydrophobicContact CD2-CB 3.58Å; L230-L266 HydrophobicContact CD2-CD1 3.91Å; L230-L266 HydrophobicContact CD2-CG 4.33Å; L230-N267 WeakPolarHBondContact CD1-O 3.47Å; L230-Y268 HydrophobicContact CD1-CD1 4.1Å; L230-Y268 HydrophobicContact CD1-CG 4.41Å; L230-Y268 HydrophobicContact CD2-CD1 3.73Å; L230-Y268 HydrophobicContact CD2-CD2 4.05Å; L230-Y268 HydrophobicContact CD2-CE1 3.49Å; L230-Y268 VanDerWaalsContact CD2-CE1 3.49Å; L230-Y268 HydrophobicContact CD2-CE2 3.84Å; L230-Y268 HydrophobicContact CD2-CG 4Å
231	M	95.2	Very high	94.2	Very high	1 Å²	1	46 Å²	46	1%	0.005	24%	0.242	C	C	.	.	S	Bend	trans	-80.4	153.3	176	-62.6	-178.8	69.2	0	0	111	E199 K200 V226 L228 E235 M236 V240 R258	E199-M231 HydrophobicContact CB-CG 3.58Å; E199-M231 HydrophobicContact CB-SD 4.26Å; K200-M231 HydrophobicContact CB-CE 4.2Å; V226-M231 HydrophobicContact CG1-SD 4.19Å; L228-M231 HydrophobicContact CD2-SD 3.87Å; L228-M231 WeakPolarHBondContact O-CB 3.48Å; L228-M231 PolarHBondContact O-N 2.96Å; M231-E235 HydrophobicContact CB-CB 4.35Å; M231-E235 HydrophobicContact CE-CB 3.76Å; M231-M236 HydrophobicContact CB-CG 4.02Å; M231-M236 VanDerWaalsContact O-CE 3.22Å; M231-M236 WeakPolarHBondContact O-CE 3.5Å; M231-V240 HydrophobicContact CE-CG2 3.43Å; M231-V240 VanDerWaalsContact CE-CG2 3.43Å; M231-V240 HydrophobicContact SD-CG2 3.72Å; M231-R258 VanDerWaalsContact O-CZ 3.31Å; M231-R258 PolarHBondContact O-NH1 3.09Å
232	T	93.3	Very high	94.3	Very high	57 Å²	57	47.4 Å²	47.4	35%	0.35	26%	0.257	S	S	.	.			trans	-69.7	154.9	170.8	65.5	0	0	0	0	111.1	T234 E235 M236 R258	T232-T234 PolarHBondContact O-N 3.44Å; T232-E235 WeakPolarHBondContact CB-OE2 3.17Å; T232-E235 WeakPolarHBondContact CG2-OE2 3.45Å; T232-E235 PolarHBondContact N-OE2 3.37Å; T232-E235 PolarHBondContact O-N 2.88Å; T232-E235 VanDerWaalsContact O-N 3.09Å; T232-E235 WeakPolarHBondContact OG1-CB 3.14Å; T232-E235 WeakPolarHBondContact OG1-CG 3.46Å; T232-E235 PolarHBondContact OG1-N 3.21Å; T232-E235 PolarHBondContact OG1-OE2 2.75Å; T232-M236 PolarHBondContact O-N 3.32Å; T232-R258 VanDerWaalsContact C-NH1 3.28Å
233	L	93.3	Very high	94.2	Very high	85 Å²	85	49.4 Å²	49.4	45%	0.445	27%	0.271	S	S	.	.	H	α-helix	trans	-58.4	-38.2	176.6	-178.1	63.4	0	0	0	111.1	M236 L237 I255	L233-M236 PolarHBondContact O-N 2.79Å; L233-L237 HydrophobicContact CD1-CD1 4.04Å; L233-L237 HydrophobicContact CD1-CG 4.19Å; L233-L237 HydrophobicContact CG-CD1 3.98Å; L233-L237 HydrophobicContact CG-CG 4.46Å; L233-L237 WeakPolarHBondContact O-CB 3.27Å; L233-L237 WeakPolarHBondContact O-CG 3.3Å; L233-L237 PolarHBondContact O-N 2.7Å; L233-I255 HydrophobicContact CD1-CD1 3.88Å; L233-I255 HydrophobicContact CD1-CG1 4.12Å
234	T	94.8	Very high	94.1	Very high	94 Å²	94	52.1 Å²	52.1	58%	0.577	30%	0.301	S	S	*	.	H	α-helix	trans	-60.9	-43.7	175.3	-52.3	0	0	0	0	111.8	T232 N238	T232-T234 PolarHBondContact O-N 3.44Å; T234-N238 WeakPolarHBondContact CG2-ND2 3.18Å; T234-N238 WeakPolarHBondContact O-CB 3.37Å; T234-N238 PolarHBondContact O-N 2.99Å
235	E	95.6	Very high	93.9	Very high	46 Å²	46	50.7 Å²	50.7	22%	0.215	29%	0.286	C	S	.	.	H	α-helix	trans	-68	-41.7	177.7	-70.2	159.1	159.3	0	0	111.7	K200 M231 T232 L237 V239 V240	K200-E235 HydrophobicContact CD-CG 4.03Å; K200-E235 WeakPolarHBondContact CD-OE1 3.49Å; K200-E235 HydrophobicContact CG-CG 4.4Å; M231-E235 HydrophobicContact CB-CB 4.35Å; M231-E235 HydrophobicContact CE-CB 3.76Å; T232-E235 WeakPolarHBondContact CB-OE2 3.17Å; T232-E235 WeakPolarHBondContact CG2-OE2 3.45Å; T232-E235 PolarHBondContact N-OE2 3.37Å; T232-E235 PolarHBondContact O-N 2.88Å; T232-E235 VanDerWaalsContact O-N 3.09Å; T232-E235 WeakPolarHBondContact OG1-CB 3.14Å; T232-E235 WeakPolarHBondContact OG1-CG 3.46Å; T232-E235 PolarHBondContact OG1-N 3.21Å; T232-E235 PolarHBondContact OG1-OE2 2.75Å; E235-L237 VanDerWaalsContact C-N 3.34Å; E235-L237 PolarHBondContact O-N 3.03Å; E235-V239 WeakPolarHBondContact O-CA 3.33Å; E235-V239 WeakPolarHBondContact O-CB 3.41Å; E235-V239 PolarHBondContact O-N 3.24Å; E235-V240 PolarHBondContact O-N 3.13Å; E235-V240 VanDerWaalsContact O-N 3.09Å
236	M	93.7	Very high	93.7	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	29%	0.291	C	S	.	.	I	π-helix	trans	-58.6	-45.1	175.1	-78.6	-170	-102.1	0	0	112.2	M231 T232 L233 V240 R241 L251 A254 I255	M231-M236 HydrophobicContact CB-CG 4.02Å; M231-M236 VanDerWaalsContact O-CE 3.22Å; M231-M236 WeakPolarHBondContact O-CE 3.5Å; T232-M236 PolarHBondContact O-N 3.32Å; L233-M236 PolarHBondContact O-N 2.79Å; M236-V240 WeakPolarHBondContact O-CB 3.46Å; M236-V240 PolarHBondContact O-N 2.64Å; M236-R241 PolarHBondContact O-N 2.88Å; M236-L251 HydrophobicContact CB-CD1 3.84Å; M236-L251 HydrophobicContact CG-CD1 3.95Å; M236-L251 HydrophobicContact SD-CD1 4.14Å; M236-A254 HydrophobicContact SD-CB 4.43Å; M236-I255 HydrophobicContact CE-CG1 4.12Å; M236-I255 HydrophobicContact SD-CD1 4.47Å; M236-I255 HydrophobicContact SD-CG1 3.59Å; M236-I255 VanDerWaalsContact SD-CG1 3.59Å
237	L	92.3	Very high	93.5	Very high	66 Å²	66	53.1 Å²	53.1	35%	0.346	30%	0.303	S	S	.	.	I	π-helix	trans	-79.1	-34.4	-176.9	-66.4	177.1	0	0	0	113.8	L233 E235	L233-L237 HydrophobicContact CD1-CD1 4.04Å; L233-L237 HydrophobicContact CD1-CG 4.19Å; L233-L237 HydrophobicContact CG-CD1 3.98Å; L233-L237 HydrophobicContact CG-CG 4.46Å; L233-L237 WeakPolarHBondContact O-CB 3.27Å; L233-L237 WeakPolarHBondContact O-CG 3.3Å; L233-L237 PolarHBondContact O-N 2.7Å; E235-L237 VanDerWaalsContact C-N 3.34Å; E235-L237 PolarHBondContact O-N 3.03Å
238	N	94.3	Very high	93.3	Very high	114 Å²	114	56.2 Å²	56.2	61%	0.61	33%	0.327	S	S	*	.	I	π-helix	trans	-105.5	-13.3	-171.8	-60.5	-23.6	0	0	0	114	T234	T234-N238 WeakPolarHBondContact CG2-ND2 3.18Å; T234-N238 WeakPolarHBondContact O-CB 3.37Å; T234-N238 PolarHBondContact O-N 2.99Å
239	V	94.3	Very high	93.2	Very high	35 Å²	35	60.8 Å²	60.8	21%	0.212	35%	0.352	C	S	.	.	I	π-helix	trans	-117.7	-50.3	178.9	-173.8	0	0	0	0	110.9	F203 Q204 E235	F203-V239 HydrophobicContact CD1-CG1 4.01Å; F203-V239 HydrophobicContact CE1-CG1 4.14Å; Q204-V239 HydrophobicContact CG-CG1 4.13Å; E235-V239 WeakPolarHBondContact O-CA 3.33Å; E235-V239 WeakPolarHBondContact O-CB 3.41Å; E235-V239 PolarHBondContact O-N 3.24Å
240	V	94.6	Very high	93.1	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.36	C	S	.	.	I	π-helix	trans	-74.7	-54.9	-176.2	-178	0	0	0	0	111.5	F203 L228 M231 E235 M236 S243 V246 L251	F203-V240 HydrophobicContact CD1-CG2 4.2Å; F203-V240 HydrophobicContact CD2-CG2 4.26Å; F203-V240 HydrophobicContact CE1-CB 4.29Å; F203-V240 HydrophobicContact CE1-CG2 4.04Å; F203-V240 HydrophobicContact CE2-CB 4.33Å; F203-V240 HydrophobicContact CE2-CG1 3.83Å; F203-V240 HydrophobicContact CE2-CG2 4.13Å; F203-V240 HydrophobicContact CG-CG2 4.3Å; F203-V240 HydrophobicContact CZ-CB 3.96Å; F203-V240 HydrophobicContact CZ-CG1 3.79Å; F203-V240 HydrophobicContact CZ-CG2 3.99Å; L228-V240 HydrophobicContact CD2-CG1 4.09Å; L228-V240 HydrophobicContact CD2-CG2 4.1Å; M231-V240 HydrophobicContact CE-CG2 3.43Å; M231-V240 VanDerWaalsContact CE-CG2 3.43Å; M231-V240 HydrophobicContact SD-CG2 3.72Å; E235-V240 PolarHBondContact O-N 3.13Å; E235-V240 VanDerWaalsContact O-N 3.09Å; M236-V240 WeakPolarHBondContact O-CB 3.46Å; M236-V240 PolarHBondContact O-N 2.64Å; V240-S243 PolarHBondContact O-N 2.97Å; V240-S243 VanDerWaalsContact O-N 3.13Å; V240-S243 PolarHBondContact O-OG 3.43Å; V240-V246 HydrophobicContact CG1-CB 3.9Å; V240-V246 HydrophobicContact CG1-CG1 4.33Å; V240-V246 HydrophobicContact CG1-CG2 3.83Å; V240-L251 HydrophobicContact CB-CD1 4.22Å; V240-L251 HydrophobicContact CG1-CD1 3.92Å
241	R	92.4	Very high	93	Very high	172 Å²	172	61.4 Å²	61.4	65%	0.649	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-56.3	-42.8	-177.3	-174.8	-179.6	-177	163.2	3.8	114.1	M236 S243 L251	M236-R241 PolarHBondContact O-N 2.88Å; R241-S243 VanDerWaalsContact C-N 3.25Å; R241-S243 PolarHBondContact O-N 3.34Å; R241-L251 HydrophobicContact CB-CD2 3.87Å; R241-L251 HydrophobicContact CG-CD2 4.34Å
242	P	94.1	Very high	92.9	Very high	94 Å²	94	66.3 Å²	66.3	61%	0.61	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-70.5	-15.6	-179.5	-22.3	36.9	0	0	0	114.7	G244	P242-G244 VanDerWaalsContact C-N 3.3Å; P242-G244 PolarHBondContact O-N 3.25Å
243	S	91.8	Very high	92.9	Very high	42 Å²	42	68.5 Å²	68.5	29%	0.294	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-71.8	-26.5	-179.8	81.3	0	0	0	0	112.8	F203 V240 R241 L245	F203-S243 WeakPolarHBondContact CZ-OG 3.29Å; V240-S243 PolarHBondContact O-N 2.97Å; V240-S243 VanDerWaalsContact O-N 3.13Å; V240-S243 PolarHBondContact O-OG 3.43Å; R241-S243 VanDerWaalsContact C-N 3.25Å; R241-S243 PolarHBondContact O-N 3.34Å; S243-L245 PolarHBondContact O-N 2.91Å; S243-L245 PolarHBondContact OG-N 3.28Å; S243-L245 VanDerWaalsContact OG-N 3.14Å
244	G	90.3	Very high	92.9	Very high	65 Å²	65	64.8 Å²	64.8	67%	0.67	37%	0.37	S	S	*	.	S	Bend	trans	69.3	5.8	-174.6	0	0	0	0	0	115	P242	P242-G244 VanDerWaalsContact C-N 3.3Å; P242-G244 PolarHBondContact O-N 3.25Å
245	L	89.8	Confident	92.8	Very high	54 Å²	54	62.6 Å²	62.6	28%	0.283	35%	0.354	S	S	.	.	S	Bend	trans	-91.1	-8.4	-176.9	-62.3	171.5	0	0	0	113.8	C207 M223 S243	C207-L245 HydrophobicContact CB-CD1 4.21Å; M223-L245 HydrophobicContact CE-CB 3.94Å; M223-L245 HydrophobicContact CE-CD1 3.43Å; M223-L245 VanDerWaalsContact CE-CD1 3.43Å; M223-L245 HydrophobicContact CE-CG 4.23Å; M223-L245 HydrophobicContact CG-CB 4.1Å; M223-L245 HydrophobicContact SD-CB 4.22Å; S243-L245 PolarHBondContact O-N 2.91Å; S243-L245 PolarHBondContact OG-N 3.28Å; S243-L245 VanDerWaalsContact OG-N 3.14Å
246	V	91.9	Very high	92.6	Very high	25 Å²	25	65.6 Å²	65.6	15%	0.152	37%	0.367	C	S	.	.	S	Bend	trans	-123.8	136.8	177.4	178.7	0	0	0	0	108.3	F203 M223 L228 V240 D250	F203-V246 HydrophobicContact CE2-CG2 3.89Å; M223-V246 HydrophobicContact CB-CG2 4.21Å; M223-V246 HydrophobicContact CG-CG2 4.47Å; L228-V246 HydrophobicContact CD1-CG1 3.92Å; V240-V246 HydrophobicContact CG1-CB 3.9Å; V240-V246 HydrophobicContact CG1-CG1 4.33Å; V240-V246 HydrophobicContact CG1-CG2 3.83Å; V246-D250 HydrophobicContact CG1-CB 3.91Å
247	S	92.1	Very high	92.5	Very high	45 Å²	45	67.7 Å²	67.7	32%	0.315	38%	0.381	S	S	.	.			trans	-68.4	150.6	-178.8	81.9	0	0	0	0	111.5	D249 D250 L251	S247-D249 PolarHBondContact O-N 2.83Å; S247-D250 WeakPolarHBondContact CB-OD2 3.39Å; S247-D250 PolarHBondContact O-N 2.93Å; S247-D250 WeakPolarHBondContact OG-CB 3.5Å; S247-D250 PolarHBondContact OG-N 2.92Å; S247-D250 VanDerWaalsContact OG-N 3.08Å; S247-D250 PolarHBondContact OG-OD2 3.15Å; S247-L251 PolarHBondContact O-N 3.16Å; S247-L251 VanDerWaalsContact O-N 3.14Å
248	P	91.3	Very high	92.4	Very high	98 Å²	98	69.3 Å²	69.3	64%	0.636	38%	0.383	S	S	*	.	H	α-helix	trans	-57.7	-33.9	174.3	-26.1	35.5	0	0	0	113.4	L251 L252	P248-L251 PolarHBondContact O-N 2.88Å; P248-L252 VanDerWaalsContact O-CG 3.28Å; P248-L252 WeakPolarHBondContact O-CG 3.39Å; P248-L252 PolarHBondContact O-N 3.01Å
249	D	92.8	Very high	92.1	Very high	114 Å²	114	68.2 Å²	68.2	61%	0.61	38%	0.384	S	S	*	.	H	α-helix	trans	-70.2	-46.5	-180	-66.7	-24.3	0	0	0	111	S247 L251 L252 D253	S247-D249 PolarHBondContact O-N 2.83Å; D249-L251 PolarHBondContact O-N 2.99Å; D249-L252 PolarHBondContact O-N 2.92Å; D249-L252 VanDerWaalsContact O-N 3.09Å; D249-D253 WeakPolarHBondContact O-CB 3.24Å; D249-D253 PolarHBondContact O-N 3.4Å
250	D	92.1	Very high	92	Very high	70 Å²	70	73 Å²	73	37%	0.374	40%	0.404	S	S	.	.	H	α-helix	trans	-59.1	-37.3	175.6	-63.3	-43.3	0	0	0	111.7	V246 S247 A254	V246-D250 HydrophobicContact CG1-CB 3.91Å; S247-D250 WeakPolarHBondContact CB-OD2 3.39Å; S247-D250 PolarHBondContact O-N 2.93Å; S247-D250 WeakPolarHBondContact OG-CB 3.5Å; S247-D250 PolarHBondContact OG-N 2.92Å; S247-D250 VanDerWaalsContact OG-N 3.08Å; S247-D250 PolarHBondContact OG-OD2 3.15Å; D250-A254 WeakPolarHBondContact O-CB 3.42Å; D250-A254 PolarHBondContact O-N 2.85Å
251	L	92.5	Very high	91.7	Very high	11 Å²	11	75.4 Å²	75.4	6%	0.058	42%	0.421	C	S	.	.	H	α-helix	trans	-67.3	-42.3	176.8	-170.2	66.8	0	0	0	111.8	M236 V240 R241 S247 P248 D249 A254 I255	M236-L251 HydrophobicContact CB-CD1 3.84Å; M236-L251 HydrophobicContact CG-CD1 3.95Å; M236-L251 HydrophobicContact SD-CD1 4.14Å; V240-L251 HydrophobicContact CB-CD1 4.22Å; V240-L251 HydrophobicContact CG1-CD1 3.92Å; R241-L251 HydrophobicContact CB-CD2 3.87Å; R241-L251 HydrophobicContact CG-CD2 4.34Å; S247-L251 PolarHBondContact O-N 3.16Å; S247-L251 VanDerWaalsContact O-N 3.14Å; P248-L251 PolarHBondContact O-N 2.88Å; D249-L251 PolarHBondContact O-N 2.99Å; L251-A254 PolarHBondContact O-N 3.37Å; L251-I255 VanDerWaalsContact O-CG1 3.31Å; L251-I255 WeakPolarHBondContact O-CG1 3.35Å; L251-I255 PolarHBondContact O-N 3.09Å
252	L	93.1	Very high	91.6	Very high	105 Å²	105	73.3 Å²	73.3	55%	0.55	41%	0.413	S	S	.	.	H	α-helix	trans	-66.4	-40.9	176.5	-72.4	172.5	0	0	0	111.4	P248 D249 A254 I255 K256	P248-L252 VanDerWaalsContact O-CG 3.28Å; P248-L252 WeakPolarHBondContact O-CG 3.39Å; P248-L252 PolarHBondContact O-N 3.01Å; D249-L252 PolarHBondContact O-N 2.92Å; D249-L252 VanDerWaalsContact O-N 3.09Å; L252-A254 VanDerWaalsContact C-N 3.33Å; L252-A254 PolarHBondContact O-N 3.36Å; L252-I255 PolarHBondContact O-N 3.43Å; L252-K256 WeakPolarHBondContact O-CB 3.24Å; L252-K256 PolarHBondContact O-N 3.16Å
253	D	94.1	Very high	91.4	Very high	102 Å²	102	70.5 Å²	70.5	55%	0.545	39%	0.393	S	S	.	.	H	α-helix	trans	-63.2	-39.2	175.2	-77	-17	0	0	0	111.6	D249 K256 S257	D249-D253 WeakPolarHBondContact O-CB 3.24Å; D249-D253 PolarHBondContact O-N 3.4Å; D253-K256 PolarHBondContact O-N 3.47Å; D253-S257 VanDerWaalsContact O-CB 3.3Å; D253-S257 WeakPolarHBondContact O-CB 3.29Å; D253-S257 PolarHBondContact O-N 3.4Å
254	A	93.2	Very high	91.4	Very high	7 Å²	7	68.9 Å²	68.9	6%	0.058	38%	0.381	C	S	.	.	H	α-helix	trans	-64.4	-41.4	174	0	0	0	0	0	112.7	L228 P229 M236 D250 L251 L252 R258	L228-A254 HydrophobicContact CB-CB 3.52Å; L228-A254 HydrophobicContact CD1-CB 4.22Å; P229-A254 HydrophobicContact CG-CB 4.32Å; M236-A254 HydrophobicContact SD-CB 4.43Å; D250-A254 WeakPolarHBondContact O-CB 3.42Å; D250-A254 PolarHBondContact O-N 2.85Å; L251-A254 PolarHBondContact O-N 3.37Å; L252-A254 VanDerWaalsContact C-N 3.33Å; L252-A254 PolarHBondContact O-N 3.36Å; A254-R258 WeakPolarHBondContact O-CB 3.39Å; A254-R258 PolarHBondContact O-N 2.62Å
255	I	92.3	Very high	91.5	Very high	49 Å²	49	70.6 Å²	70.6	25%	0.251	38%	0.375	S	S	.	.	H	α-helix	trans	-63.1	-45.3	175.3	-68.4	166.1	0	0	0	110.4	L233 M236 L251 L252 R258 S259	L233-I255 HydrophobicContact CD1-CD1 3.88Å; L233-I255 HydrophobicContact CD1-CG1 4.12Å; M236-I255 HydrophobicContact CE-CG1 4.12Å; M236-I255 HydrophobicContact SD-CD1 4.47Å; M236-I255 HydrophobicContact SD-CG1 3.59Å; M236-I255 VanDerWaalsContact SD-CG1 3.59Å; L251-I255 VanDerWaalsContact O-CG1 3.31Å; L251-I255 WeakPolarHBondContact O-CG1 3.35Å; L251-I255 PolarHBondContact O-N 3.09Å; L252-I255 PolarHBondContact O-N 3.43Å; I255-R258 PolarHBondContact O-N 3.43Å; I255-S259 PolarHBondContact O-N 3.38Å; I255-S259 VanDerWaalsContact O-N 3.08Å; I255-S259 PolarHBondContact O-OG 3.1Å
256	K	92.7	Very high	91.5	Very high	109 Å²	109	69 Å²	69	47%	0.474	37%	0.367	S	S	.	.	H	α-helix	trans	-60.1	-52.3	176.9	-177.7	-177.6	175.8	-173.3	0	110.9	L252 D253 R258 S259 E260	L252-K256 WeakPolarHBondContact O-CB 3.24Å; L252-K256 PolarHBondContact O-N 3.16Å; D253-K256 PolarHBondContact O-N 3.47Å; K256-R258 VanDerWaalsContact C-N 3.3Å; K256-R258 PolarHBondContact O-N 3.22Å; K256-S259 PolarHBondContact O-N 3.3Å; K256-S259 PolarHBondContact O-OG 3.05Å; K256-E260 VanDerWaalsContact CE-CD 3.4Å; K256-E260 WeakPolarHBondContact CE-OE1 3.34Å; K256-E260 WeakPolarHBondContact CE-OE2 3.35Å; K256-E260 HydrophobicContact CG-CG 4.31Å; K256-E260 PolarHBondContact O-N 2.85Å
257	S	91.2	Very high	91.5	Very high	44 Å²	44	72.2 Å²	72.2	31%	0.308	38%	0.383	S	S	.	.	H	α-helix	trans	-54.1	-45.9	178.1	178.8	0	0	0	0	111.7	D253 S259 E260 S261	D253-S257 VanDerWaalsContact O-CB 3.3Å; D253-S257 WeakPolarHBondContact O-CB 3.29Å; D253-S257 PolarHBondContact O-N 3.4Å; S257-S259 VanDerWaalsContact C-N 3.32Å; S257-S259 PolarHBondContact O-N 3.09Å; S257-E260 PolarHBondContact O-N 2.84Å; S257-S261 WeakPolarHBondContact O-CB 3.09Å; S257-S261 PolarHBondContact O-N 2.75Å; S257-S261 PolarHBondContact O-OG 3.42Å
258	R	89.4	Confident	91.7	Very high	100 Å²	100	72.4 Å²	72.4	38%	0.377	38%	0.377	S	S	.	.	H	α-helix	trans	-61.4	-38.2	176	-177.6	-175.1	173.1	-175.3	7.1	113.3	P229 M231 T232 A254 I255 K256	P229-R258 HydrophobicContact CB-CB 4.26Å; P229-R258 VanDerWaalsContact O-CD 3.3Å; P229-R258 WeakPolarHBondContact O-CD 3.36Å; P229-R258 WeakPolarHBondContact O-CG 3.33Å; M231-R258 VanDerWaalsContact O-CZ 3.31Å; M231-R258 PolarHBondContact O-NH1 3.09Å; T232-R258 VanDerWaalsContact C-NH1 3.28Å; A254-R258 WeakPolarHBondContact O-CB 3.39Å; A254-R258 PolarHBondContact O-N 2.62Å; I255-R258 PolarHBondContact O-N 3.43Å; K256-R258 VanDerWaalsContact C-N 3.3Å; K256-R258 PolarHBondContact O-N 3.22Å
259	S	88.6	Confident	91.9	Very high	91 Å²	91	68.4 Å²	68.4	64%	0.636	35%	0.349	S	S	*	.	H	α-helix	trans	-76.9	-28.8	-177.4	68	0	0	0	0	113.9	I255 K256 S257	I255-S259 PolarHBondContact O-N 3.38Å; I255-S259 VanDerWaalsContact O-N 3.08Å; I255-S259 PolarHBondContact O-OG 3.1Å; K256-S259 PolarHBondContact O-N 3.3Å; K256-S259 PolarHBondContact O-OG 3.05Å; S257-S259 VanDerWaalsContact C-N 3.32Å; S257-S259 PolarHBondContact O-N 3.09Å
260	E	91.4	Very high	92	Very high	136 Å²	136	63 Å²	63	64%	0.636	32%	0.32	S	S	*	.	H	α-helix	trans	-96.7	-27.9	-175.9	-67.4	178.5	172.7	0	0	112.7	K256 S257	K256-E260 VanDerWaalsContact CE-CD 3.4Å; K256-E260 WeakPolarHBondContact CE-OE1 3.34Å; K256-E260 WeakPolarHBondContact CE-OE2 3.35Å; K256-E260 HydrophobicContact CG-CG 4.31Å; K256-E260 PolarHBondContact O-N 2.85Å; S257-E260 PolarHBondContact O-N 2.84Å
261	S	89.6	Confident	92.2	Very high	51 Å²	51	62.4 Å²	62.4	36%	0.357	32%	0.316	S	S	.	.	S	Bend	trans	-77.4	146.9	179.6	-66.5	0	0	0	0	112.4	S257	S257-S261 WeakPolarHBondContact O-CB 3.09Å; S257-S261 PolarHBondContact O-N 2.75Å; S257-S261 PolarHBondContact O-OG 3.42Å
262	R	90.2	Very high	92.3	Very high	127 Å²	127	64.1 Å²	64.1	48%	0.479	33%	0.325	S	S	.	.			trans	-66.6	143.8	162.9	-68.9	-178.6	65.8	-170.2	1.8	109.6	M264 D265 D360 W361	R262-M264 VanDerWaalsContact C-N 3.3Å; R262-M264 PolarHBondContact O-N 2.93Å; R262-D265 HydrophobicContact CB-CB 4.35Å; R262-D265 WeakPolarHBondContact CB-OD2 3.43Å; R262-D265 PolarHBondContact O-N 3.31Å; R262-D360 WeakPolarHBondContact CB-OD2 3.48Å; R262-D360 IonicContact CZ-OD1 3.74Å; R262-D360 IonicContact NE-OD1 2.78Å; R262-D360 PolarHBondContact NE-OD1 2.93Å; R262-D360 IonicContact NE-OD2 3.16Å; R262-D360 IonicContact NH2-OD1 3.68Å; R262-D360 PolarHBondContact NH2-OD1 3.44Å; R262-W361 PolarHBondContact NH2-O 2.97Å
263	N	89.9	Confident	92.3	Very high	36 Å²	36	60.3 Å²	60.3	19%	0.193	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-60	-42.6	-175.4	-166.2	51.6	0	0	0	111.6	D265 L266 Y268 D357 D360	N263-D265 PolarHBondContact O-N 3.42Å; N263-L266 WeakPolarHBondContact O-CB 3.34Å; N263-L266 PolarHBondContact O-N 2.99Å; N263-L266 VanDerWaalsContact O-N 3.16Å; N263-Y268 WeakPolarHBondContact O-CE2 3.22Å; N263-Y268 PolarHBondContact OD1-OH 2.98Å; N263-D357 PolarHBondContact ND2-OD2 3.38Å; N263-D360 HydrophobicContact CB-CB 3.99Å; N263-D360 PolarHBondContact N-OD2 3.03Å; N263-D360 VanDerWaalsContact N-OD2 3.1Å
264	M	91.2	Very high	92.3	Very high	8 Å²	8	58 Å²	58	4%	0.039	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-71.9	-10	180	-69.1	-57.6	-60.2	0	0	114.7	R262 V354 S355 M356 D360 V362 R383	R262-M264 VanDerWaalsContact C-N 3.3Å; R262-M264 PolarHBondContact O-N 2.93Å; M264-V354 HydrophobicContact CE-CG2 4.06Å; M264-S355 VanDerWaalsContact SD-CA 3.55Å; M264-M356 HydrophobicContact CE-CG 4.42Å; M264-M356 HydrophobicContact SD-CB 3.86Å; M264-M356 HydrophobicContact SD-CG 3.7Å; M264-M356 PolarHBondContact SD-N 3.08Å; M264-D360 WeakPolarHBondContact CB-OD2 3.35Å; M264-D360 HydrophobicContact CG-CB 4.21Å; M264-D360 WeakPolarHBondContact CG-O 3.12Å; M264-D360 PolarHBondContact N-OD2 2.86Å; M264-V362 HydrophobicContact CB-CG2 3.48Å; M264-V362 VanDerWaalsContact CB-CG2 3.48Å; M264-V362 HydrophobicContact CG-CG2 3.88Å; M264-R383 PolarHBondContact O-NH2 2.93Å
265	D	91.1	Very high	92.4	Very high	100 Å²	100	61.7 Å²	61.7	54%	0.535	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-90.4	-8.8	175.2	-63.6	-19.9	0	0	0	111.9	R262 N263 R383	R262-D265 HydrophobicContact CB-CB 4.35Å; R262-D265 WeakPolarHBondContact CB-OD2 3.43Å; R262-D265 PolarHBondContact O-N 3.31Å; N263-D265 PolarHBondContact O-N 3.42Å; D265-R383 IonicContact OD1-NH2 2.76Å
266	L	90.8	Very high	92.6	Very high	22 Å²	22	62.4 Å²	62.4	12%	0.115	31%	0.314	C	S	.	.	S	Bend	trans	-73.9	141.2	173.3	-58	174.7	0	0	0	110.6	P229 L230 N263 Y268	P229-L266 HydrophobicContact CB-CD2 4.12Å; L230-L266 HydrophobicContact CD2-CB 3.58Å; L230-L266 HydrophobicContact CD2-CD1 3.91Å; L230-L266 HydrophobicContact CD2-CG 4.33Å; N263-L266 WeakPolarHBondContact O-CB 3.34Å; N263-L266 PolarHBondContact O-N 2.99Å; N263-L266 VanDerWaalsContact O-N 3.16Å; L266-Y268 VanDerWaalsContact C-N 3.3Å; L266-Y268 HydrophobicContact CB-CD2 4.21Å; L266-Y268 HydrophobicContact CB-CE2 3.95Å; L266-Y268 WeakPolarHBondContact O-CD2 3.3Å; L266-Y268 PolarHBondContact O-N 3.32Å
267	N	92.6	Very high	92.7	Very high	92 Å²	92	58.9 Å²	58.9	49%	0.492	30%	0.3	S	S	.	.			trans	-79.4	74	-177.7	-172.7	16.4	0	0	0	111.7	D193 R227 L230	D193-N267 PolarHBondContact OD1-ND2 3.43Å; D193-N267 PolarHBondContact OD1-OD1 3.23Å; R227-N267 WeakPolarHBondContact CD-O 3.48Å; R227-N267 VanDerWaalsContact NH1-CG 3.32Å; R227-N267 PolarHBondContact NH1-ND2 3.38Å; R227-N267 PolarHBondContact NH1-O 2.98Å; R227-N267 PolarHBondContact NH1-OD1 3.06Å; L230-N267 WeakPolarHBondContact CD1-O 3.47Å
268	Y	95	Very high	93	Very high	49 Å²	49	57.2 Å²	57.2	19%	0.192	29%	0.287	C	S	.	.			trans	-62	152	176.6	-78.7	-83.5	0	0	0	113	R227 L230 N263 L266 M356 V384	R227-Y268 PolarHBondContact NH1-O 2.89Å; L230-Y268 HydrophobicContact CD1-CD1 4.1Å; L230-Y268 HydrophobicContact CD1-CG 4.41Å; L230-Y268 HydrophobicContact CD2-CD1 3.73Å; L230-Y268 HydrophobicContact CD2-CD2 4.05Å; L230-Y268 HydrophobicContact CD2-CE1 3.49Å; L230-Y268 VanDerWaalsContact CD2-CE1 3.49Å; L230-Y268 HydrophobicContact CD2-CE2 3.84Å; L230-Y268 HydrophobicContact CD2-CG 4Å; N263-Y268 WeakPolarHBondContact O-CE2 3.22Å; N263-Y268 PolarHBondContact OD1-OH 2.98Å; L266-Y268 VanDerWaalsContact C-N 3.3Å; L266-Y268 HydrophobicContact CB-CD2 4.21Å; L266-Y268 HydrophobicContact CB-CE2 3.95Å; L266-Y268 WeakPolarHBondContact O-CD2 3.3Å; L266-Y268 PolarHBondContact O-N 3.32Å; Y268-M356 HydrophobicContact CD1-CE 3.58Å; Y268-M356 HydrophobicContact CD2-CE 4.35Å; Y268-M356 HydrophobicContact CD2-CG 3.79Å; Y268-M356 HydrophobicContact CE1-CE 3.79Å; Y268-M356 HydrophobicContact CE2-CB 4.17Å; Y268-M356 HydrophobicContact CE2-CG 3.85Å; Y268-M356 HydrophobicContact CG-CE 3.88Å; Y268-M356 HydrophobicContact CG-CG 4.2Å; Y268-M356 HydrophobicContact CG-SD 4.35Å; Y268-V384 WeakPolarHBondContact O-CG2 3.34Å
269	R	96.3	Very high	93.3	Very high	14 Å²	14	52.5 Å²	52.5	5%	0.053	27%	0.27	C	S	.	.			trans	-91.6	146.7	163.5	-61.2	179.6	-166.3	-93.7	5.1	109.7	V190 R192 D193 F195 E199 A225	V190-R269 PolarHBondContact O-NH1 2.75Å; V190-R269 PolarHBondContact O-NH2 2.84Å; R192-R269 PolarHBondContact O-NH1 2.95Å; D193-R269 CarbonylContact O-C 3.57Å; D193-R269 VanDerWaalsContact O-CA 3.22Å; D193-R269 WeakPolarHBondContact O-CA 3.18Å; D193-R269 WeakPolarHBondContact O-CB 3.22Å; F195-R269 VanDerWaalsContact O-CD 3.27Å; F195-R269 WeakPolarHBondContact O-CD 3.36Å; E199-R269 WeakPolarHBondContact OE1-CD 3.45Å; E199-R269 IonicContact OE1-CZ 3.71Å; E199-R269 IonicContact OE1-NE 3.93Å; E199-R269 PolarHBondContact OE1-NE 2.76Å; E199-R269 IonicContact OE1-NH2 3.78Å; A225-R269 PolarHBondContact O-NH2 2.82Å; A225-R269 VanDerWaalsContact O-NH2 3.13Å
270	G	95.4	Very high	93.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.25	C	C	.	.			trans	-149.6	150.2	-178.4	0	0	0	0	0	112	D193 S194 L272 P330	D193-G270 PolarHBondContact O-N 3.49Å; S194-G270 WeakPolarHBondContact CA-O 3.33Å; G270-L272 PolarHBondContact O-N 3.09Å; G270-P330 CarbonylContact C-O 3.55Å; G270-P330 WeakPolarHBondContact CA-O 3.4Å
271	M	95.2	Very high	93.7	Very high	57 Å²	57	50.1 Å²	50.1	28%	0.281	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-60.6	134.2	173.1	-175.6	-161.6	-74.7	0	0	109.6	A196 I273 Q329 P330 S331 I332	A196-M271 HydrophobicContact CB-CB 4.39Å; M271-I273 HydrophobicContact CG-CD1 4.24Å; M271-I273 HydrophobicContact CG-CG1 4.02Å; M271-I273 HydrophobicContact SD-CD1 3.48Å; M271-I273 WeakPolarHBondContact SD-CD1 3.43Å; M271-I273 HydrophobicContact SD-CG1 3.91Å; M271-Q329 HydrophobicContact CE-CB 4.1Å; M271-Q329 HydrophobicContact CE-CG 4.03Å; M271-P330 PolarHBondContact N-O 3.2Å; M271-S331 CarbonylContact O-C 3.6Å; M271-S331 VanDerWaalsContact O-CA 3.23Å; M271-S331 WeakPolarHBondContact O-CA 3.37Å; M271-S331 WeakPolarHBondContact O-CB 3.48Å; M271-I332 PolarHBondContact O-N 2.78Å
272	L	95	Very high	93.8	Very high	48 Å²	48	55.6 Å²	55.6	25%	0.251	27%	0.27	S	S	.	.			trans	-118.7	112.6	177.2	179.3	61.7	0	0	0	109.8	G270 P274 I332 F410	G270-L272 PolarHBondContact O-N 3.09Å; L272-P274 HydrophobicContact CG-CG 4.33Å; L272-I332 HydrophobicContact CB-CB 4.5Å; L272-I332 HydrophobicContact CB-CD1 4.22Å; L272-I332 HydrophobicContact CD1-CB 4.03Å; L272-I332 HydrophobicContact CD1-CG2 4.27Å; L272-F410 HydrophobicContact CD1-CB 3.62Å; L272-F410 HydrophobicContact CD1-CD1 3.55Å; L272-F410 HydrophobicContact CD1-CD2 3.49Å; L272-F410 VanDerWaalsContact CD1-CD2 3.49Å; L272-F410 HydrophobicContact CD1-CE1 3.99Å; L272-F410 HydrophobicContact CD1-CE2 3.94Å; L272-F410 HydrophobicContact CD1-CG 3.26Å; L272-F410 HydrophobicContact CD1-CZ 4.17Å
273	I	93.4	Very high	94	Very high	24 Å²	24	51.6 Å²	51.6	12%	0.123	26%	0.257	C	S	.	.			trans	-125.4	96.3	172.6	-51.1	-179.7	0	0	0	107.8	M271 E276 I278	M271-I273 HydrophobicContact CG-CD1 4.24Å; M271-I273 HydrophobicContact CG-CG1 4.02Å; M271-I273 HydrophobicContact SD-CD1 3.48Å; M271-I273 WeakPolarHBondContact SD-CD1 3.43Å; M271-I273 HydrophobicContact SD-CG1 3.91Å; I273-E276 HydrophobicContact CB-CB 4.45Å; I273-E276 HydrophobicContact CG2-CB 3.6Å; I273-E276 HydrophobicContact CG2-CG 4.38Å; I273-E276 WeakPolarHBondContact CG2-OE2 3.2Å; I273-I278 HydrophobicContact CB-CG2 4.43Å; I273-I278 HydrophobicContact CD1-CG2 4.49Å
274	P	94.1	Very high	94.3	Very high	55 Å²	55	52 Å²	52	36%	0.357	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-63.1	143.1	-179.5	-23	34.6	0	0	0	112.2	L272 E276 F410	L272-P274 HydrophobicContact CG-CG 4.33Å; P274-E276 PolarHBondContact O-N 2.74Å; P274-F410 CarbonylContact C-O 3.58Å; P274-F410 WeakPolarHBondContact CA-O 3.3Å; P274-F410 HydrophobicContact CB-CD1 4.34Å; P274-F410 HydrophobicContact CG-CD1 4.41Å
275	E	95.2	Very high	94.6	Very high	83 Å²	83	51.6 Å²	51.6	39%	0.388	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	13.4	174.6	-47	-68.4	130.9	0	0	115.2	F410 T411 N412 R413	E275-F410 PolarHBondContact N-O 3.35Å; E275-T411 WeakPolarHBondContact OE1-CA 3.21Å; E275-T411 VanDerWaalsContact OE1-CB 3.29Å; E275-T411 WeakPolarHBondContact OE1-CB 3.36Å; E275-T411 PolarHBondContact OE1-OG1 3.28Å; E275-N412 PolarHBondContact OE1-N 3.44Å; E275-N412 VanDerWaalsContact OE1-N 3.09Å; E275-R413 IonicContact OE2-CZ 3.54Å; E275-R413 IonicContact OE2-NE 2.67Å; E275-R413 PolarHBondContact OE2-NE 2.91Å; E275-R413 IonicContact OE2-NH2 3.13Å
276	E	95.4	Very high	94.8	Very high	64 Å²	64	51.4 Å²	51.4	30%	0.299	26%	0.264	S	S	.	.	S	Bend	trans	-112.2	134.8	175.5	-169.3	169	172.7	0	0	110.9	I273 P274 I278 K282 H283 M409	I273-E276 HydrophobicContact CB-CB 4.45Å; I273-E276 HydrophobicContact CG2-CB 3.6Å; I273-E276 HydrophobicContact CG2-CG 4.38Å; I273-E276 WeakPolarHBondContact CG2-OE2 3.2Å; P274-E276 PolarHBondContact O-N 2.74Å; E276-I278 PolarHBondContact O-N 3.16Å; E276-K282 IonicContact OE1-NZ 2.69Å; E276-K282 PolarHBondContact OE1-NZ 3.33Å; E276-H283 VanDerWaalsContact CD-NE2 3.32Å; E276-H283 IonicContact OE1-CD2 3.93Å; E276-H283 IonicContact OE1-CE1 3.06Å; E276-H283 PolarHBondContact OE1-CE1 2.69Å; E276-H283 IonicContact OE1-NE2 3.66Å; E276-H283 PolarHBondContact OE1-NE2 3.18Å; E276-M409 WeakPolarHBondContact O-CB 3.34Å
277	N	96.6	Very high	95.1	Very high	36 Å²	36	51.2 Å²	51.2	19%	0.193	26%	0.263	C	S	.	.			trans	-72.2	107.7	173.6	-178.4	13.3	0	0	0	110.5	A279 T280 H283 E407 C408 M409	N277-A279 WeakPolarHBondContact OD1-CB 3.22Å; N277-A279 PolarHBondContact OD1-N 2.7Å; N277-T280 HydrophobicContact CB-CG2 4.37Å; N277-H283 PolarHBondContact O-CD2 2.9Å; N277-E407 HydrophobicContact CB-CB 4.45Å; N277-E407 WeakPolarHBondContact OD1-CA 3.46Å; N277-C408 PolarHBondContact OD1-N 3.03Å; N277-C408 PolarHBondContact OD1-O 3.4Å; N277-M409 HydrophobicContact CB-CE 3.79Å
278	I	96.6	Very high	95.2	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.041	25%	0.251	C	S	.	.			trans	-86.8	-8.8	177.5	60.9	162	0	0	0	113.1	I273 E276 T280 H283 L327 S331 I333 C408	I273-I278 HydrophobicContact CB-CG2 4.43Å; I273-I278 HydrophobicContact CD1-CG2 4.49Å; E276-I278 PolarHBondContact O-N 3.16Å; I278-T280 PolarHBondContact O-N 2.74Å; I278-H283 WeakPolarHBondContact O-CB 3.2Å; I278-L327 HydrophobicContact CD1-CD1 3.88Å; I278-L327 HydrophobicContact CD1-CD2 4.32Å; I278-L327 HydrophobicContact CG1-CD2 4.37Å; I278-S331 WeakPolarHBondContact CD1-OG 3.26Å; I278-I333 HydrophobicContact CD1-CG2 3.73Å; I278-C408 HydrophobicContact CG1-CB 4.38Å; I278-C408 WeakPolarHBondContact CG1-O 3.08Å; I278-C408 PolarHBondContact N-O 3.48Å
279	A	96.6	Very high	95.2	Very high	1 Å²	1	51 Å²	51	1%	0.008	26%	0.262	C	S	.	.	S	Bend	trans	-83.9	55.2	172.1	0	0	0	0	0	111.2	N277 L297 L327 F406 C408	N277-A279 WeakPolarHBondContact OD1-CB 3.22Å; N277-A279 PolarHBondContact OD1-N 2.7Å; A279-L297 HydrophobicContact CB-CD2 4.28Å; A279-L297 WeakPolarHBondContact O-CD2 3.42Å; A279-L327 HydrophobicContact CB-CD2 4.33Å; A279-F406 HydrophobicContact CB-CD1 3.68Å; A279-F406 HydrophobicContact CB-CE1 3.62Å; A279-C408 HydrophobicContact CB-CB 3.69Å
280	T	95.4	Very high	94.9	Very high	35 Å²	35	51.3 Å²	51.3	22%	0.215	27%	0.27	C	S	.	.	S	Bend	trans	-131.6	159	176.1	62.9	0	0	0	0	111.6	N277 I278 K282 H283 G284 A285	N277-T280 HydrophobicContact CB-CG2 4.37Å; I278-T280 PolarHBondContact O-N 2.74Å; T280-K282 PolarHBondContact O-N 2.94Å; T280-H283 CarbonylContact O-C 3.56Å; T280-H283 PolarHBondContact O-N 3.1Å; T280-H283 VanDerWaalsContact O-N 3.08Å; T280-H283 PolarHBondContact OG1-CD2 3.07Å; T280-G284 PolarHBondContact O-N 2.87Å; T280-A285 WeakPolarHBondContact O-CB 3.35Å; T280-A285 PolarHBondContact O-N 2.94Å
281	M	91.4	Very high	94.8	Very high	143 Å²	143	55.6 Å²	55.6	70%	0.704	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-60	-32.9	175.3	-65.8	-65.7	-71	0	0	112.4	H283 G284 A285	M281-H283 PolarHBondContact O-N 3.04Å; M281-G284 PolarHBondContact O-N 2.87Å; M281-A285 VanDerWaalsContact SD-O 3.36Å
282	K	92.8	Very high	94.4	Very high	166 Å²	166	56.3 Å²	56.3	72%	0.722	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-55.6	-40	174.3	177.3	-167.2	168.7	-161	0	111.6	E276 T280 G284	E276-K282 IonicContact OE1-NZ 2.69Å; E276-K282 PolarHBondContact OE1-NZ 3.33Å; T280-K282 PolarHBondContact O-N 2.94Å; K282-G284 VanDerWaalsContact C-N 3.32Å
283	H	94.2	Very high	94.1	Very high	42 Å²	42	58.8 Å²	58.8	19%	0.194	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-91.8	12	178.9	-72	-64.5	0	0	0	112.9	E276 N277 I278 T280 M281 A285 G328	E276-H283 VanDerWaalsContact CD-NE2 3.32Å; E276-H283 IonicContact OE1-CD2 3.93Å; E276-H283 IonicContact OE1-CE1 3.06Å; E276-H283 PolarHBondContact OE1-CE1 2.69Å; E276-H283 IonicContact OE1-NE2 3.66Å; E276-H283 PolarHBondContact OE1-NE2 3.18Å; N277-H283 PolarHBondContact O-CD2 2.9Å; I278-H283 WeakPolarHBondContact O-CB 3.2Å; T280-H283 CarbonylContact O-C 3.56Å; T280-H283 PolarHBondContact O-N 3.1Å; T280-H283 VanDerWaalsContact O-N 3.08Å; T280-H283 PolarHBondContact OG1-CD2 3.07Å; M281-H283 PolarHBondContact O-N 3.04Å; H283-A285 VanDerWaalsContact C-N 3.29Å; H283-A285 PolarHBondContact O-N 3.42Å; H283-G328 WeakPolarHBondContact O-CA 3.38Å; H283-G328 PolarHBondContact O-N 3.23Å
284	G	95.3	Very high	93.8	Very high	44 Å²	44	62.8 Å²	62.8	45%	0.454	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	15	178.1	0	0	0	0	0	115	T280 M281 K282 G328	T280-G284 PolarHBondContact O-N 2.87Å; M281-G284 PolarHBondContact O-N 2.87Å; K282-G284 VanDerWaalsContact C-N 3.32Å; G284-G328 WeakPolarHBondContact O-CA 3.48Å
285	A	97.3	Very high	93.5	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.008	32%	0.32	C	S	.	.			trans	-74.9	146.6	175.3	0	0	0	0	0	111.5	T280 M281 H283 L297 K326	T280-A285 WeakPolarHBondContact O-CB 3.35Å; T280-A285 PolarHBondContact O-N 2.94Å; M281-A285 VanDerWaalsContact SD-O 3.36Å; H283-A285 VanDerWaalsContact C-N 3.29Å; H283-A285 PolarHBondContact O-N 3.42Å; A285-L297 HydrophobicContact CB-CD1 4.21Å; A285-K326 CarbonylContact C-O 3.58Å; A285-K326 VanDerWaalsContact CA-O 3.23Å; A285-K326 WeakPolarHBondContact CA-O 3.24Å
286	Q	96.7	Very high	93.4	Very high	95 Å²	95	56.7 Å²	56.7	44%	0.444	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	144.9	-178.1	60.9	177.2	30.8	0	0	111.7	V288 V325 K326	Q286-V288 HydrophobicContact CG-CG1 3.97Å; Q286-V288 PolarHBondContact O-N 2.92Å; Q286-V325 WeakPolarHBondContact O-CA 3.05Å; Q286-K326 HydrophobicContact CG-CB 3.95Å; Q286-K326 HydrophobicContact CG-CD 4.42Å; Q286-K326 PolarHBondContact N-O 2.71Å; Q286-K326 PolarHBondContact O-N 3.1Å
287	V	96.5	Very high	93.4	Very high	18 Å²	18	54.4 Å²	54.4	11%	0.109	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	115.4	170.1	-172.6	0	0	0	0	108.8	K289 K293 L296 L297 I323 Q324 V325	V287-K289 VanDerWaalsContact CG1-O 3.3Å; V287-K289 WeakPolarHBondContact CG1-O 3.31Å; V287-K293 HydrophobicContact CB-CB 3.98Å; V287-K293 HydrophobicContact CB-CG 4.29Å; V287-K293 HydrophobicContact CG1-CB 4.12Å; V287-K293 HydrophobicContact CG1-CG 3.97Å; V287-K293 WeakPolarHBondContact CG2-O 3.49Å; V287-L296 HydrophobicContact CG2-CB 3.92Å; V287-L296 HydrophobicContact CG2-CD2 3.88Å; V287-L296 HydrophobicContact CG2-CG 4.4Å; V287-L297 HydrophobicContact CG2-CD1 3.86Å; V287-L297 HydrophobicContact CG2-CD2 4.5Å; V287-L297 HydrophobicContact CG2-CG 3.82Å; V287-I323 HydrophobicContact CG1-CG2 4.23Å; V287-Q324 CarbonylContact C-O 3.06Å; V287-V325 HydrophobicContact CG2-CG2 4.48Å
288	V	95.1	Very high	93.1	Very high	38 Å²	38	57 Å²	57	23%	0.23	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-34.4	-177.7	-64.3	0	0	0	0	112.6	Q286 K293 Q324 K326	Q286-V288 HydrophobicContact CG-CG1 3.97Å; Q286-V288 PolarHBondContact O-N 2.92Å; V288-K293 PolarHBondContact O-NZ 2.92Å; V288-Q324 HydrophobicContact CG2-CB 3.74Å; V288-Q324 HydrophobicContact CG2-CG 3.61Å; V288-Q324 WeakPolarHBondContact CG2-O 3.19Å; V288-Q324 PolarHBondContact N-O 3.26Å; V288-K326 HydrophobicContact CG1-CB 3.76Å; V288-K326 HydrophobicContact CG1-CD 4.43Å
289	K	94.4	Very high	92.7	Very high	98 Å²	98	59.7 Å²	59.7	43%	0.426	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151	176.1	-59.8	-178.1	-176	168	0	111.3	V287 I323 Q324	V287-K289 VanDerWaalsContact CG1-O 3.3Å; V287-K289 WeakPolarHBondContact CG1-O 3.31Å; K289-I323 WeakPolarHBondContact O-CA 3.48Å; K289-Q324 HydrophobicContact CB-CB 3.81Å; K289-Q324 HydrophobicContact CD-CB 4.29Å; K289-Q324 HydrophobicContact CG-CB 4.13Å; K289-Q324 PolarHBondContact N-O 2.86Å; K289-Q324 PolarHBondContact O-N 2.68Å
290	G	91.2	Very high	92.5	Very high	22 Å²	22	62.2 Å²	62.2	23%	0.227	35%	0.349	C	S	.	.	S	Bend	trans	116.6	162.2	-171.8	0	0	0	0	0	112.2	K293	G290-K293 WeakPolarHBondContact O-CE 3.3Å; G290-K293 VanDerWaalsContact O-CG 3.32Å; G290-K293 WeakPolarHBondContact O-CG 3.48Å
291	E	92.1	Very high	92.3	Very high	89 Å²	89	62.1 Å²	62.1	42%	0.416	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-91.1	157.2	171.6	-61.1	177.4	-163	0	0	110.5	K293 S311 R312	E291-K293 VanDerWaalsContact C-N 3.3Å; E291-K293 PolarHBondContact O-N 2.9Å; E291-S311 VanDerWaalsContact O-CA 3.29Å; E291-S311 WeakPolarHBondContact O-CA 3.18Å; E291-S311 WeakPolarHBondContact O-CB 3.37Å; E291-S311 PolarHBondContact O-OG 3.03Å; E291-R312 HydrophobicContact CB-CG 3.89Å; E291-R312 PolarHBondContact N-O 3.32Å; E291-R312 PolarHBondContact O-N 3.1Å; E291-R312 IonicContact OE2-CZ 3.05Å; E291-R312 IonicContact OE2-NE 3.74Å; E291-R312 PolarHBondContact OE2-NE 3.06Å; E291-R312 IonicContact OE2-NH2 3.88Å; E291-R312 PolarHBondContact OE2-NH2 3.48Å
292	L	87.3	Confident	92.4	Very high	73 Å²	73	61.2 Å²	61.2	38%	0.382	34%	0.342	S	S	.	.	S	Bend	trans	54.3	44.1	178.1	-58.8	174.4	0	0	0	113.5	S294 A295 F310 S311	L292-S294 VanDerWaalsContact C-N 3.25Å; L292-S294 PolarHBondContact O-N 3.07Å; L292-S294 VanDerWaalsContact O-N 3.12Å; L292-A295 PolarHBondContact O-N 3.24Å; L292-F310 WeakPolarHBondContact CB-O 3.5Å; L292-F310 HydrophobicContact CD1-CD2 4.39Å; L292-F310 HydrophobicContact CD1-CE2 3.9Å; L292-F310 HydrophobicContact CD1-CZ 4.19Å; L292-S311 PolarHBondContact O-OG 2.91Å
293	K	89.6	Confident	92.2	Very high	99 Å²	99	59 Å²	59	43%	0.43	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-54.8	-31.3	-171	-63.5	-177.6	-175	-172.5	0	115.4	V287 V288 G290 E291 A295	V287-K293 HydrophobicContact CB-CB 3.98Å; V287-K293 HydrophobicContact CB-CG 4.29Å; V287-K293 HydrophobicContact CG1-CB 4.12Å; V287-K293 HydrophobicContact CG1-CG 3.97Å; V287-K293 WeakPolarHBondContact CG2-O 3.49Å; V288-K293 PolarHBondContact O-NZ 2.92Å; G290-K293 WeakPolarHBondContact O-CE 3.3Å; G290-K293 VanDerWaalsContact O-CG 3.32Å; G290-K293 WeakPolarHBondContact O-CG 3.48Å; E291-K293 VanDerWaalsContact C-N 3.3Å; E291-K293 PolarHBondContact O-N 2.9Å; K293-A295 VanDerWaalsContact C-N 3.26Å; K293-A295 PolarHBondContact O-N 2.95Å
294	S	86	Confident	92.2	Very high	108 Å²	108	57.8 Å²	57.8	76%	0.755	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-69.4	-23.7	-175.2	51.8	0	0	0	0	113.5	L292	L292-S294 VanDerWaalsContact C-N 3.25Å; L292-S294 PolarHBondContact O-N 3.07Å; L292-S294 VanDerWaalsContact O-N 3.12Å
295	A	88.6	Confident	92	Very high	8 Å²	8	59.6 Å²	59.6	7%	0.066	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-81.3	-20.9	-173.4	0	0	0	0	0	113.9	L292 K293 D298	L292-A295 PolarHBondContact O-N 3.24Å; K293-A295 VanDerWaalsContact C-N 3.26Å; K293-A295 PolarHBondContact O-N 2.95Å; A295-D298 WeakPolarHBondContact CA-OD2 3.28Å; A295-D298 VanDerWaalsContact O-CG 3.29Å; A295-D298 VanDerWaalsContact O-OD1 3.06Å
296	L	93.6	Very high	91.3	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.01	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-31.3	-168.3	-173.2	61	0	0	0	114.2	V287 I323 V325 L403 F406	V287-L296 HydrophobicContact CG2-CB 3.92Å; V287-L296 HydrophobicContact CG2-CD2 3.88Å; V287-L296 HydrophobicContact CG2-CG 4.4Å; L296-I323 HydrophobicContact CD2-CG2 3.56Å; L296-V325 HydrophobicContact CD2-CG2 3.97Å; L296-L403 HydrophobicContact CD1-CB 4.27Å; L296-L403 HydrophobicContact CD1-CD2 3.55Å; L296-L403 HydrophobicContact CD1-CG 3.53Å; L296-L403 HydrophobicContact CD2-CD2 4.14Å; L296-L403 HydrophobicContact CG-CD2 4.49Å; L296-F406 HydrophobicContact CD1-CB 3.72Å; L296-F406 HydrophobicContact CD2-CB 4.11Å; L296-F406 HydrophobicContact CG-CB 3.79Å; L296-F406 PolarHBondContact O-N 2.94Å
297	L	94.1	Very high	90.7	Very high	17 Å²	17	66.4 Å²	66.4	9%	0.089	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	16.1	-171.8	-47.6	-178.4	0	0	0	112.3	A279 A285 V287 G299 V325 F406	A279-L297 HydrophobicContact CB-CD2 4.28Å; A279-L297 WeakPolarHBondContact O-CD2 3.42Å; A285-L297 HydrophobicContact CB-CD1 4.21Å; V287-L297 HydrophobicContact CG2-CD1 3.86Å; V287-L297 HydrophobicContact CG2-CD2 4.5Å; V287-L297 HydrophobicContact CG2-CG 3.82Å; L297-G299 VanDerWaalsContact C-N 3.33Å; L297-V325 HydrophobicContact CD1-CG1 4.23Å; L297-V325 HydrophobicContact CD2-CG1 4.49Å; L297-F406 HydrophobicContact CD2-CB 4.36Å; L297-F406 HydrophobicContact CD2-CD1 4.02Å
298	D	89.7	Confident	90.4	Very high	90 Å²	90	71.5 Å²	71.5	48%	0.481	39%	0.392	S	S	.	.	S	Bend	trans	-81.1	-14.5	179.8	64.1	10.8	0	0	0	113.2	A295 D300	A295-D298 WeakPolarHBondContact CA-OD2 3.28Å; A295-D298 VanDerWaalsContact O-CG 3.29Å; A295-D298 VanDerWaalsContact O-OD1 3.06Å; D298-D300 VanDerWaalsContact C-N 3.31Å; D298-D300 PolarHBondContact OD1-N 2.91Å
299	G	89.2	Confident	90.1	Very high	65 Å²	65	70.4 Å²	70.4	67%	0.67	39%	0.389	S	S	*	.			trans	83.6	1.7	-179.6	0	0	0	0	0	114.1	L297 T301	L297-G299 VanDerWaalsContact C-N 3.33Å; G299-T301 PolarHBondContact O-N 3.42Å
300	D	91.3	Very high	90.1	Very high	54 Å²	54	65.9 Å²	65.9	29%	0.289	37%	0.369	S	S	.	.			trans	-81.8	115.6	175.3	-162.6	-23.8	0	0	0	110.4	D298 Q302 N303	D298-D300 VanDerWaalsContact C-N 3.31Å; D298-D300 PolarHBondContact OD1-N 2.91Å; D300-Q302 PolarHBondContact OD1-N 2.83Å; D300-N303 PolarHBondContact OD1-N 3.12Å; D300-N303 PolarHBondContact OD1-ND2 2.91Å; D300-N303 VanDerWaalsContact OD2-CB 3.27Å; D300-N303 WeakPolarHBondContact OD2-CB 3.38Å; D300-N303 PolarHBondContact OD2-ND2 2.75Å
301	T	92.9	Very high	90.3	Very high	32 Å²	32	64.8 Å²	64.8	20%	0.196	36%	0.358	C	S	.	.	S	Bend	trans	-115.6	5.7	-178.5	58.4	0	0	0	0	112	G299 Y304 W375 A405	G299-T301 PolarHBondContact O-N 3.42Å; T301-Y304 WeakPolarHBondContact O-CE1 3.41Å; T301-W375 HydrophobicContact CG2-CH2 3.84Å; T301-W375 HydrophobicContact CG2-CZ2 3.52Å; T301-A405 HydrophobicContact CG2-CB 3.85Å
302	Q	91.8	Very high	90.4	Very high	124 Å²	124	64.5 Å²	64.5	58%	0.579	35%	0.353	S	S	*	.	S	Bend	trans	-126	-30.3	-171.6	-61.6	-59.8	-33.4	0	0	112.6	D300 R343	D300-Q302 PolarHBondContact OD1-N 2.83Å; Q302-R343 PolarHBondContact O-NH2 2.61Å
303	N	90.5	Very high	90.8	Very high	119 Å²	119	61.2 Å²	61.2	64%	0.636	34%	0.336	S	S	*	.			trans	-105.2	80	-177.8	-46	-65.1	0	0	0	110.7	D300	D300-N303 PolarHBondContact OD1-N 3.12Å; D300-N303 PolarHBondContact OD1-ND2 2.91Å; D300-N303 VanDerWaalsContact OD2-CB 3.27Å; D300-N303 WeakPolarHBondContact OD2-CB 3.38Å; D300-N303 PolarHBondContact OD2-ND2 2.75Å
304	Y	92.6	Very high	91.1	Very high	17 Å²	17	59 Å²	59	7%	0.067	33%	0.331	C	S	.	.			trans	-136.6	138	172.3	58.6	-78.6	0	0	0	110.2	T301 H308 G309 L339 W341 D342 R343 V404	T301-Y304 WeakPolarHBondContact O-CE1 3.41Å; Y304-H308 WeakPolarHBondContact CA-O 3.41Å; Y304-G309 WeakPolarHBondContact CB-O 3.29Å; Y304-L339 HydrophobicContact CE1-CD2 4.29Å; Y304-W341 AromaticContact CD2-CE3 3.9Å; Y304-W341 HydrophobicContact CD2-CE3 3.9Å; Y304-W341 AromaticContact CD2-CZ3 3.84Å; Y304-W341 HydrophobicContact CD2-CZ3 3.84Å; Y304-W341 HydrophobicContact CE2-CE3 4.32Å; Y304-D342 PolarHBondContact OH-OD1 2.98Å; Y304-R343 HydrophobicContact CD2-CG 4.05Å; Y304-R343 VanDerWaalsContact CE1-NH2 3.26Å; Y304-R343 HydrophobicContact CE2-CG 3.59Å; Y304-V404 HydrophobicContact CD1-CG1 3.56Å; Y304-V404 HydrophobicContact CD2-CG1 4.19Å; Y304-V404 HydrophobicContact CD2-CG2 3.7Å; Y304-V404 HydrophobicContact CE1-CG1 3.9Å; Y304-V404 HydrophobicContact CE2-CG1 4.44Å; Y304-V404 HydrophobicContact CE2-CG2 3.77Å; Y304-V404 HydrophobicContact CG-CG1 3.74Å; Y304-V404 HydrophobicContact CG-CG2 4.11Å
305	D	91.1	Very high	91.5	Very high	82 Å²	82	55.2 Å²	55.2	44%	0.439	30%	0.303	S	S	.	.			trans	-133.7	-172	-177.2	66.8	32.7	0	0	0	110.3	D307 H308 F310 W341	D305-D307 PolarHBondContact O-N 2.84Å; D305-D307 VanDerWaalsContact O-N 3.12Å; D305-D307 PolarHBondContact OD1-N 2.82Å; D305-H308 PolarHBondContact N-O 3.14Å; D305-H308 PolarHBondContact OD1-N 2.83Å; D305-H308 IonicContact OD1-ND1 3.5Å; D305-H308 PolarHBondContact OD1-ND1 3.37Å; D305-H308 IonicContact OD2-ND1 3.99Å; D305-F310 VanDerWaalsContact O-CE1 3.3Å; D305-F310 WeakPolarHBondContact O-CE1 3.36Å; D305-W341 WeakPolarHBondContact O-CH2 3.17Å; D305-W341 WeakPolarHBondContact O-CZ3 3.45Å
306	L	84.2	Confident	91.4	Very high	126 Å²	126	59.4 Å²	59.4	66%	0.66	32%	0.321	S	S	*	.	S	Bend	trans	-62.6	-19.9	-174	-69.9	169.6	0	0	0	113.8	W341	L306-W341 HydrophobicContact CD2-CH2 4.1Å; L306-W341 HydrophobicContact CD2-CZ2 3.86Å
307	D	83.8	Confident	90.4	Very high	114 Å²	114	68.8 Å²	68.8	61%	0.61	37%	0.365	S	S	*	.	S	Bend	trans	-115	-26.1	-172.5	-64	-45.7	0	0	0	113	D305	D305-D307 PolarHBondContact O-N 2.84Å; D305-D307 VanDerWaalsContact O-N 3.12Å; D305-D307 PolarHBondContact OD1-N 2.82Å
308	H	89.1	Confident	89.4	Confident	124 Å²	124	72.4 Å²	72.4	57%	0.574	38%	0.384	S	S	*	.	S	Bend	trans	-135.2	164	-172.4	-50.8	89.6	0	0	0	113.7	Y304 D305 F310	Y304-H308 WeakPolarHBondContact CA-O 3.41Å; D305-H308 PolarHBondContact N-O 3.14Å; D305-H308 PolarHBondContact OD1-N 2.83Å; D305-H308 IonicContact OD1-ND1 3.5Å; D305-H308 PolarHBondContact OD1-ND1 3.37Å; D305-H308 IonicContact OD2-ND1 3.99Å; H308-F310 WeakPolarHBondContact O-CD1 3.49Å
309	G	89.6	Confident	88.4	Confident	16 Å²	16	69.2 Å²	69.2	17%	0.165	37%	0.372	C	S	.	.	S	Bend	trans	83.6	22.1	172	0	0	0	0	0	114.9	Y304 V404	Y304-G309 WeakPolarHBondContact CB-O 3.29Å; G309-V404 WeakPolarHBondContact O-CG1 3.15Å
310	F	93.3	Very high	87.5	Confident	2 Å²	2	75.8 Å²	75.8	1%	0.009	38%	0.377	C	S	.	.			trans	-152.2	156.7	173.2	61.4	-91	0	0	0	111.4	L292 D305 H308 R312 W341 H402 L403 V404	L292-F310 WeakPolarHBondContact CB-O 3.5Å; L292-F310 HydrophobicContact CD1-CD2 4.39Å; L292-F310 HydrophobicContact CD1-CE2 3.9Å; L292-F310 HydrophobicContact CD1-CZ 4.19Å; D305-F310 VanDerWaalsContact O-CE1 3.3Å; D305-F310 WeakPolarHBondContact O-CE1 3.36Å; H308-F310 WeakPolarHBondContact O-CD1 3.49Å; F310-R312 HydrophobicContact CD2-CB 4.21Å; F310-R312 HydrophobicContact CE2-CB 4.17Å; F310-R312 HydrophobicContact CE2-CG 4.14Å; F310-W341 HydrophobicContact CD1-CE3 4.15Å; F310-W341 AromaticContact CD1-CZ3 3.83Å; F310-W341 HydrophobicContact CD1-CZ3 3.83Å; F310-W341 AromaticContact CE1-CZ3 3.96Å; F310-W341 HydrophobicContact CE1-CZ3 3.96Å; F310-H402 HydrophobicContact CD2-CB 4.28Å; F310-H402 AromaticContact CD2-CD2 3.79Å; F310-H402 AromaticContact CE2-CD2 3.45Å; F310-H402 VanDerWaalsContact CE2-CD2 3.45Å; F310-H402 WeakPolarHBondContact CE2-CD2 3.4Å; F310-H402 AromaticContact CZ-CD2 3.95Å; F310-L403 CarbonylContact C-O 3.58Å; F310-L403 WeakPolarHBondContact CA-O 3.42Å; F310-L403 WeakPolarHBondContact CB-O 3.47Å; F310-V404 HydrophobicContact CB-CG2 4.2Å
311	S	95.8	Very high	87.1	Confident	0 Å²	0	74 Å²	74	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	154.3	162.7	-77.7	0	0	0	0	110.9	E291 L292 L403	E291-S311 VanDerWaalsContact O-CA 3.29Å; E291-S311 WeakPolarHBondContact O-CA 3.18Å; E291-S311 WeakPolarHBondContact O-CB 3.37Å; E291-S311 PolarHBondContact O-OG 3.03Å; L292-S311 PolarHBondContact O-OG 2.91Å; S311-L403 PolarHBondContact N-O 3.1Å; S311-L403 PolarHBondContact O-N 3.38Å
312	R	95.2	Very high	87.1	Confident	82 Å²	82	72.9 Å²	72.9	31%	0.309	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	164.8	179.5	64.3	169.2	179	-141.8	1.5	113.7	E291 F310 V400 F401	E291-R312 HydrophobicContact CB-CG 3.89Å; E291-R312 PolarHBondContact N-O 3.32Å; E291-R312 PolarHBondContact O-N 3.1Å; E291-R312 IonicContact OE2-CZ 3.05Å; E291-R312 IonicContact OE2-NE 3.74Å; E291-R312 PolarHBondContact OE2-NE 3.06Å; E291-R312 IonicContact OE2-NH2 3.88Å; E291-R312 PolarHBondContact OE2-NH2 3.48Å; F310-R312 HydrophobicContact CD2-CB 4.21Å; F310-R312 HydrophobicContact CE2-CB 4.17Å; F310-R312 HydrophobicContact CE2-CG 4.14Å; R312-V400 HydrophobicContact CB-CG1 3.94Å; R312-V400 HydrophobicContact CG-CG1 4.32Å; R312-F401 WeakPolarHBondContact CA-O 3.41Å; R312-F401 WeakPolarHBondContact CB-O 3.32Å
313	H	95.8	Very high	87.3	Confident	5 Å²	5	67 Å²	67	2%	0.023	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	152.2	166.7	76.1	100	0	0	0	110.8	S321 G322 I323 G392 F401	H313-S321 PolarHBondContact CE1-O 2.77Å; H313-S321 PolarHBondContact ND1-O 2.98Å; H313-G322 PolarHBondContact ND1-N 3.05Å; H313-I323 HydrophobicContact CB-CG1 4.45Å; H313-G392 PolarHBondContact CE1-N 2.88Å; H313-G392 VanDerWaalsContact CE1-N 3.3Å; H313-G392 PolarHBondContact NE2-N 2.72Å; H313-F401 AromaticContact CD2-CD1 3.74Å; H313-F401 PolarHBondContact N-O 2.82Å; H313-F401 VanDerWaalsContact N-O 3.14Å; H313-F401 WeakPolarHBondContact NE2-CB 3.43Å; H313-F401 AromaticContact NE2-CD1 3.6Å; H313-F401 AromaticContact NE2-CG 3.7Å; H313-F401 PolarHBondContact O-N 2.9Å
314	P	94.9	Very high	87.6	Confident	51 Å²	51	61.4 Å²	61.4	33%	0.331	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	140.7	174.9	28.9	-34.5	0	0	0	111.2	E316 S321	P314-E316 HydrophobicContact CB-CG 4.46Å; P314-E316 HydrophobicContact CG-CG 4.44Å; P314-E316 PolarHBondContact O-N 3.21Å; P314-S321 WeakPolarHBondContact O-CB 3.45Å; P314-S321 PolarHBondContact O-OG 2.97Å
315	I	94.3	Very high	87.8	Confident	29 Å²	29	60.6 Å²	60.6	15%	0.149	30%	0.303	C	S	.	.			trans	-82.8	104.4	175	-59.2	174.6	0	0	0	107.9	T393 N395 K399 F401	I315-T393 WeakPolarHBondContact CG2-O 3.34Å; I315-N395 HydrophobicContact CD1-CB 3.74Å; I315-K399 PolarHBondContact N-O 3.06Å; I315-F401 HydrophobicContact CD1-CB 4.33Å; I315-F401 HydrophobicContact CG1-CB 4.07Å
316	E	86.6	Confident	88.2	Confident	97 Å²	97	59.4 Å²	59.4	45%	0.453	29%	0.294	S	S	.	.			trans	-103.9	151.1	-179.5	-63.6	179.4	-177.2	0	0	110.9	P314 D318 G319	P314-E316 HydrophobicContact CB-CG 4.46Å; P314-E316 HydrophobicContact CG-CG 4.44Å; P314-E316 PolarHBondContact O-N 3.21Å; E316-D318 VanDerWaalsContact C-N 3.25Å; E316-D318 PolarHBondContact O-N 2.97Å; E316-G319 PolarHBondContact O-N 3.49Å
317	E	71.9	Confident	88.8	Confident	199 Å²	199	53.5 Å²	53.5	93%	0.93	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-19.6	-177.8	-69.4	-177.3	-178	0	0	113.2
318	D	74.9	Confident	89.4	Confident	93 Å²	93	48.7 Å²	48.7	50%	0.497	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-6.6	-178.2	75	-5.6	0	0	0	113.9	E316 R320	E316-D318 VanDerWaalsContact C-N 3.25Å; E316-D318 PolarHBondContact O-N 2.97Å; D318-R320 HydrophobicContact CB-CG 4.29Å; D318-R320 PolarHBondContact O-N 2.74Å; D318-R320 WeakPolarHBondContact OD1-CB 3.11Å; D318-R320 PolarHBondContact OD1-N 2.84Å; D318-R320 VanDerWaalsContact OD2-CD 3.26Å; D318-R320 WeakPolarHBondContact OD2-CD 3.31Å; D318-R320 WeakPolarHBondContact OD2-CG 3.18Å; D318-R320 IonicContact OD2-NE 3.59Å
319	G	67.4	Low	89.6	Confident	22 Å²	22	48.1 Å²	48.1	23%	0.227	24%	0.238	C	C	.	.	S	Bend	trans	63.2	15.1	179.7	0	0	0	0	0	114.8	E316 Y351	E316-G319 PolarHBondContact O-N 3.49Å; G319-Y351 PolarHBondContact O-OH 3.21Å
320	R	70.8	Confident	89.9	Confident	204 Å²	204	49 Å²	49	77%	0.77	24%	0.241	S	C	*	.			trans	-85.4	-22.4	-178.5	-64.4	-172.6	-179.1	-172.5	-1.6	112.8	D318	D318-R320 HydrophobicContact CB-CG 4.29Å; D318-R320 PolarHBondContact O-N 2.74Å; D318-R320 WeakPolarHBondContact OD1-CB 3.11Å; D318-R320 PolarHBondContact OD1-N 2.84Å; D318-R320 VanDerWaalsContact OD2-CD 3.26Å; D318-R320 WeakPolarHBondContact OD2-CD 3.31Å; D318-R320 WeakPolarHBondContact OD2-CG 3.18Å; D318-R320 IonicContact OD2-NE 3.59Å
321	S	81.8	Confident	90.1	Very high	16 Å²	16	49.1 Å²	49.1	11%	0.112	24%	0.242	C	C	.	.			trans	-77.5	137.1	173.8	61	0	0	0	0	111	H313 P314 V391	H313-S321 PolarHBondContact CE1-O 2.77Å; H313-S321 PolarHBondContact ND1-O 2.98Å; P314-S321 WeakPolarHBondContact O-CB 3.45Å; P314-S321 PolarHBondContact O-OG 2.97Å; S321-V391 WeakPolarHBondContact O-CG1 3.24Å
322	G	93	Very high	90.2	Very high	9 Å²	9	49.9 Å²	49.9	9%	0.093	25%	0.246	C	C	.	.			trans	-175.7	156.7	-179.6	0	0	0	0	0	112.5	H313 I390	H313-G322 PolarHBondContact ND1-N 3.05Å; G322-I390 WeakPolarHBondContact CA-O 3.48Å
323	I	96.6	Very high	90.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.9	169.1	-64.5	166.4	0	0	0	107	V287 K289 L296 H313 R389 I390 F401 L403	V287-I323 HydrophobicContact CG1-CG2 4.23Å; K289-I323 WeakPolarHBondContact O-CA 3.48Å; L296-I323 HydrophobicContact CD2-CG2 3.56Å; H313-I323 HydrophobicContact CB-CG1 4.45Å; I323-R389 CarbonylContact O-C 3.55Å; I323-R389 WeakPolarHBondContact O-CA 3.34Å; I323-I390 PolarHBondContact N-O 3.21Å; I323-I390 PolarHBondContact O-N 2.83Å; I323-F401 HydrophobicContact CD1-CD1 4.35Å; I323-L403 HydrophobicContact CD1-CB 3.7Å; I323-L403 HydrophobicContact CD1-CD2 4.01Å; I323-L403 HydrophobicContact CD1-CG 4.49Å
324	Q	96.8	Very high	90.4	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.6	-178.5	-170.3	-176.7	-45.2	0	0	109.9	V287 V288 K289 E358 W361 V388	V287-Q324 CarbonylContact C-O 3.06Å; V288-Q324 HydrophobicContact CG2-CB 3.74Å; V288-Q324 HydrophobicContact CG2-CG 3.61Å; V288-Q324 WeakPolarHBondContact CG2-O 3.19Å; V288-Q324 PolarHBondContact N-O 3.26Å; K289-Q324 HydrophobicContact CB-CB 3.81Å; K289-Q324 HydrophobicContact CD-CB 4.29Å; K289-Q324 HydrophobicContact CG-CB 4.13Å; K289-Q324 PolarHBondContact N-O 2.86Å; K289-Q324 PolarHBondContact O-N 2.68Å; Q324-E358 VanDerWaalsContact NE2-CD 3.3Å; Q324-E358 PolarHBondContact NE2-OE1 2.94Å; Q324-W361 HydrophobicContact CG-CH2 4.04Å; Q324-V388 CarbonylContact C-O 3.56Å; Q324-V388 WeakPolarHBondContact CA-O 3.48Å
325	V	97.7	Very high	90.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.4	177.9	-178.1	0	0	0	0	108.3	Q286 V287 L296 L297 Y387 V388 F406	Q286-V325 WeakPolarHBondContact O-CA 3.05Å; V287-V325 HydrophobicContact CG2-CG2 4.48Å; L296-V325 HydrophobicContact CD2-CG2 3.97Å; L297-V325 HydrophobicContact CD1-CG1 4.23Å; L297-V325 HydrophobicContact CD2-CG1 4.49Å; V325-Y387 CarbonylContact O-C 3.58Å; V325-Y387 WeakPolarHBondContact O-CA 3.19Å; V325-V388 PolarHBondContact N-O 2.85Å; V325-V388 PolarHBondContact O-N 2.98Å; V325-F406 HydrophobicContact CB-CD1 4.43Å; V325-F406 HydrophobicContact CB-CE1 4.08Å; V325-F406 HydrophobicContact CG1-CD1 4.33Å; V325-F406 HydrophobicContact CG1-CE1 4.04Å; V325-F406 HydrophobicContact CG2-CD1 3.9Å; V325-F406 HydrophobicContact CG2-CE1 4.01Å
326	K	97.9	Very high	90.8	Very high	58 Å²	58	42.8 Å²	42.8	25%	0.252	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.7	169.3	179.9	-176.4	-175.9	177.1	0	107.1	A285 Q286 V288 Y387	A285-K326 CarbonylContact C-O 3.58Å; A285-K326 VanDerWaalsContact CA-O 3.23Å; A285-K326 WeakPolarHBondContact CA-O 3.24Å; Q286-K326 HydrophobicContact CG-CB 3.95Å; Q286-K326 HydrophobicContact CG-CD 4.42Å; Q286-K326 PolarHBondContact N-O 2.71Å; Q286-K326 PolarHBondContact O-N 3.1Å; V288-K326 HydrophobicContact CG1-CB 3.76Å; V288-K326 HydrophobicContact CG1-CD 4.43Å; K326-Y387 HydrophobicContact CB-CD1 3.76Å; K326-Y387 HydrophobicContact CB-CE1 3.69Å; K326-Y387 HydrophobicContact CD-CE1 3.67Å; K326-Y387 HydrophobicContact CG-CD1 3.87Å; K326-Y387 HydrophobicContact CG-CE1 3.43Å; K326-Y387 VanDerWaalsContact CG-CE1 3.43Å
327	L	97.8	Very high	91.3	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	-178.7	176.4	-60.6	176.8	0	0	0	110.3	I278 A279 R386 C408	I278-L327 HydrophobicContact CD1-CD1 3.88Å; I278-L327 HydrophobicContact CD1-CD2 4.32Å; I278-L327 HydrophobicContact CG1-CD2 4.37Å; A279-L327 HydrophobicContact CB-CD2 4.33Å; L327-R386 PolarHBondContact N-O 2.89Å; L327-R386 PolarHBondContact O-NH1 2.88Å; L327-R386 PolarHBondContact O-NH2 2.91Å; L327-R386 VanDerWaalsContact O-NH2 3.15Å; L327-C408 HydrophobicContact CD2-CB 4.44Å
328	G	95.4	Very high	92.5	Very high	14 Å²	14	31.8 Å²	31.8	14%	0.144	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-31.3	173.4	0	0	0	0	0	116	H283 G284 R386	H283-G328 WeakPolarHBondContact O-CA 3.38Å; H283-G328 PolarHBondContact O-N 3.23Å; G284-G328 WeakPolarHBondContact O-CA 3.48Å; G328-R386 VanDerWaalsContact C-CZ 3.41Å; G328-R386 VanDerWaalsContact O-CZ 3.24Å; G328-R386 PolarHBondContact O-NH1 2.81Å; G328-R386 PolarHBondContact O-NH2 2.89Å
329	Q	93.9	Very high	93.6	Very high	111 Å²	111	27.4 Å²	27.4	52%	0.519	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	167.6	165.2	-66.7	-60.5	-24.4	0	0	111.3	M271 S331 R386	M271-Q329 HydrophobicContact CE-CB 4.1Å; M271-Q329 HydrophobicContact CE-CG 4.03Å; Q329-S331 PolarHBondContact O-N 3.18Å; Q329-S331 PolarHBondContact O-OG 3.19Å; Q329-R386 PolarHBondContact O-NH1 2.78Å
330	P	96.1	Very high	95.1	Very high	35 Å²	35	26.4 Å²	26.4	23%	0.227	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	130.6	161.7	-22.1	33	0	0	0	109.6	G270 M271 M356 V384 C385	G270-P330 CarbonylContact C-O 3.55Å; G270-P330 WeakPolarHBondContact CA-O 3.4Å; M271-P330 PolarHBondContact N-O 3.2Å; P330-M356 HydrophobicContact CB-CE 3.94Å; P330-M356 HydrophobicContact CB-SD 4.39Å; P330-M356 HydrophobicContact CG-CE 4.09Å; P330-V384 HydrophobicContact CB-CG1 4.05Å; P330-C385 WeakPolarHBondContact CA-O 3.37Å
331	S	97	Very high	96.2	Very high	4 Å²	4	17 Å²	17	3%	0.028	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145.2	-173.6	-59.8	0	0	0	0	111.8	M271 I278 Q329 V384 C385	M271-S331 CarbonylContact O-C 3.6Å; M271-S331 VanDerWaalsContact O-CA 3.23Å; M271-S331 WeakPolarHBondContact O-CA 3.37Å; M271-S331 WeakPolarHBondContact O-CB 3.48Å; I278-S331 WeakPolarHBondContact CD1-OG 3.26Å; Q329-S331 PolarHBondContact O-N 3.18Å; Q329-S331 PolarHBondContact O-OG 3.19Å; S331-V384 WeakPolarHBondContact O-CA 3.48Å; S331-C385 PolarHBondContact N-O 3.49Å; S331-C385 PolarHBondContact O-N 2.82Å
332	I	97.9	Very high	96.8	Very high	17 Å²	17	18 Å²	18	9%	0.087	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	121.5	173.3	-54.5	177.6	0	0	0	107.8	D193 M271 L272 P382 R383 V384 F410	D193-I332 HydrophobicContact CB-CD1 3.82Å; M271-I332 PolarHBondContact O-N 2.78Å; L272-I332 HydrophobicContact CB-CB 4.5Å; L272-I332 HydrophobicContact CB-CD1 4.22Å; L272-I332 HydrophobicContact CD1-CB 4.03Å; L272-I332 HydrophobicContact CD1-CG2 4.27Å; I332-P382 HydrophobicContact CG2-CB 4.39Å; I332-R383 WeakPolarHBondContact CA-O 3.4Å; I332-V384 HydrophobicContact CG1-CG2 3.95Å; I332-F410 HydrophobicContact CG2-CD2 3.81Å; I332-F410 HydrophobicContact CG2-CE2 3.83Å
333	I	97.9	Very high	96.8	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	151.1	-178.6	65.2	165.1	0	0	0	110.7	I278 V354 F380 P382 R383 C385 V388 C408	I278-I333 HydrophobicContact CD1-CG2 3.73Å; I333-V354 HydrophobicContact CD1-CG1 4.3Å; I333-F380 HydrophobicContact CB-CZ 4.48Å; I333-F380 HydrophobicContact CD1-CE2 4.32Å; I333-F380 HydrophobicContact CD1-CZ 3.8Å; I333-F380 HydrophobicContact CG1-CE2 4.05Å; I333-F380 HydrophobicContact CG1-CZ 3.87Å; I333-F380 WeakPolarHBondContact O-CE2 3.42Å; I333-P382 WeakPolarHBondContact O-CA 3.38Å; I333-R383 PolarHBondContact N-O 3.18Å; I333-R383 PolarHBondContact O-N 2.86Å; I333-C385 WeakPolarHBondContact CD1-SG 3.38Å; I333-V388 HydrophobicContact CD1-CG2 4.39Å; I333-C408 WeakPolarHBondContact CD1-SG 3.07Å
334	N	97.8	Very high	96.7	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	1.1	175.8	73.4	-11.8	0	0	0	112.7	Y379 F380 P382 M409 F410 T411	N334-Y379 WeakPolarHBondContact O-CA 3.46Å; N334-F380 VanDerWaalsContact CB-O 3.29Å; N334-F380 WeakPolarHBondContact CB-O 3.45Å; N334-F380 PolarHBondContact O-N 2.95Å; N334-F380 VanDerWaalsContact O-N 3.07Å; N334-P382 HydrophobicContact CB-CB 4.23Å; N334-P382 HydrophobicContact CB-CG 3.87Å; N334-M409 PolarHBondContact N-O 2.9Å; N334-F410 HydrophobicContact CB-CD2 4.27Å; N334-F410 HydrophobicContact CB-CE2 4.4Å; N334-F410 VanDerWaalsContact OD1-CA 3.31Å; N334-F410 WeakPolarHBondContact OD1-CA 3.47Å; N334-T411 PolarHBondContact ND2-O 3.23Å; N334-T411 PolarHBondContact OD1-N 2.95Å
335	H	98.4	Very high	96.4	Very high	13 Å²	13	31 Å²	31	6%	0.06	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	125.6	-176.4	179.3	-136.8	0	0	0	110.4	L378 Y379 M409 T411	H335-L378 CarbonylContact C-O 3.55Å; H335-L378 WeakPolarHBondContact CA-O 3.28Å; H335-L378 PolarHBondContact CD2-O 2.95Å; H335-Y379 HydrophobicContact CB-CD1 4.16Å; H335-Y379 HydrophobicContact CB-CE1 4.35Å; H335-Y379 AromaticContact CD2-CD1 3.5Å; H335-Y379 AromaticContact CD2-CE1 3.18Å; H335-Y379 WeakPolarHBondContact CD2-CE1 3.45Å; H335-Y379 AromaticContact CD2-CZ 3.58Å; H335-Y379 AromaticContact CG-CD1 4Å; H335-Y379 AromaticContact CG-CE1 3.76Å; H335-Y379 AromaticContact NE2-CE1 3.54Å; H335-Y379 AromaticContact NE2-CZ 3.52Å; H335-Y379 PolarHBondContact NE2-OH 2.91Å; H335-M409 HydrophobicContact CB-CG 4.02Å; H335-M409 PolarHBondContact N-O 3.17Å; H335-M409 VanDerWaalsContact N-O 3.14Å; H335-M409 WeakPolarHBondContact ND1-CG 3.28Å; H335-M409 PolarHBondContact ND1-SD 2.96Å; H335-M409 VanDerWaalsContact ND1-SD 3.35Å; H335-M409 PolarHBondContact O-N 3.4Å; H335-T411 HydrophobicContact CB-CG2 3.8Å
336	I	98.5	Very high	96.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.8	175.3	-72.4	170.2	0	0	0	108.1	I352 L378 F380 V388 F406 E407	I336-I352 HydrophobicContact CD1-CD1 4.42Å; I336-I352 HydrophobicContact CD1-CG2 4Å; I336-I352 HydrophobicContact CG2-CD1 4.04Å; I336-L378 HydrophobicContact CB-CB 4.43Å; I336-L378 HydrophobicContact CG2-CD1 4.36Å; I336-L378 PolarHBondContact N-O 2.68Å; I336-L378 WeakPolarHBondContact O-CB 3.43Å; I336-L378 PolarHBondContact O-N 2.74Å; I336-F380 HydrophobicContact CB-CE1 4.4Å; I336-F380 HydrophobicContact CD1-CE1 3.73Å; I336-F380 HydrophobicContact CD1-CZ 4.01Å; I336-F380 HydrophobicContact CG1-CE1 3.83Å; I336-F380 HydrophobicContact CG1-CZ 4.22Å; I336-V388 HydrophobicContact CD1-CG1 4.16Å; I336-F406 HydrophobicContact CD1-CE2 4.49Å; I336-F406 HydrophobicContact CG2-CD2 4.16Å; I336-F406 HydrophobicContact CG2-CE2 3.6Å; I336-F406 HydrophobicContact CG2-CZ 4.45Å; I336-E407 WeakPolarHBondContact CA-O 3.38Å
337	R	98.1	Very high	96.2	Very high	65 Å²	65	29.4 Å²	29.4	25%	0.245	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	138.8	166.8	-57.4	178.2	63.1	-133.6	2.7	109.6	W375 Q376 N377 E407	R337-W375 HydrophobicContact CB-CE3 4.25Å; R337-W375 HydrophobicContact CB-CZ3 4.01Å; R337-Q376 WeakPolarHBondContact CA-O 3.37Å; R337-N377 WeakPolarHBondContact CD-OD1 3.16Å; R337-N377 WeakPolarHBondContact CG-OD1 3.39Å; R337-N377 PolarHBondContact NE-OD1 3.18Å; R337-E407 HydrophobicContact CB-CB 4.09Å; R337-E407 HydrophobicContact CB-CG 4.4Å; R337-E407 WeakPolarHBondContact CD-OE2 3.34Å; R337-E407 IonicContact CZ-OE2 2.66Å; R337-E407 PolarHBondContact N-O 2.79Å; R337-E407 IonicContact NE-OE2 3.62Å; R337-E407 IonicContact NH1-OE1 2.82Å; R337-E407 IonicContact NH1-OE2 3.93Å; R337-E407 PolarHBondContact NH1-OE2 3.01Å; R337-E407 PolarHBondContact O-N 3.32Å
338	L	97.3	Very high	96.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	140	177.1	70.3	81.1	0	0	0	110.4	L340 Y350 I352 W375 Q376 L378 L403 A405	L338-L340 HydrophobicContact CD1-CD1 4.27Å; L338-L340 HydrophobicContact CD1-CD2 3.47Å; L338-L340 VanDerWaalsContact CD1-CD2 3.47Å; L338-L340 HydrophobicContact CD1-CG 3.51Å; L338-Y350 HydrophobicContact CD2-CD2 4.44Å; L338-Y350 HydrophobicContact CD2-CE2 3.78Å; L338-I352 HydrophobicContact CD2-CD1 3.69Å; L338-W375 CarbonylContact O-C 3.49Å; L338-W375 WeakPolarHBondContact O-CA 3.32Å; L338-Q376 HydrophobicContact CD1-CB 4.01Å; L338-Q376 HydrophobicContact CD1-CG 3.38Å; L338-Q376 HydrophobicContact CG-CB 3.94Å; L338-Q376 HydrophobicContact CG-CG 3.89Å; L338-Q376 PolarHBondContact N-O 2.86Å; L338-Q376 VanDerWaalsContact N-O 3.1Å; L338-Q376 PolarHBondContact O-N 2.5Å; L338-L378 HydrophobicContact CD2-CD1 3.73Å; L338-L378 HydrophobicContact CG-CD1 4.23Å; L338-L403 HydrophobicContact CB-CD1 3.83Å; L338-L403 HydrophobicContact CD1-CD1 3.96Å; L338-L403 HydrophobicContact CG-CD1 4.39Å; L338-A405 WeakPolarHBondContact CA-O 3.47Å
339	L	98.1	Very high	96.3	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	106.7	176.3	178.4	54.5	0	0	0	108.9	Y304 W375 V404 A405	Y304-L339 HydrophobicContact CE1-CD2 4.29Å; L339-W375 HydrophobicContact CB-CD2 3.94Å; L339-W375 HydrophobicContact CB-CE3 4Å; L339-W375 HydrophobicContact CB-CH2 4.01Å; L339-W375 HydrophobicContact CB-CZ2 3.94Å; L339-W375 HydrophobicContact CB-CZ3 4.03Å; L339-W375 HydrophobicContact CD1-CD2 4.08Å; L339-W375 HydrophobicContact CD1-CG 3.94Å; L339-W375 HydrophobicContact CD2-CZ2 3.92Å; L339-W375 HydrophobicContact CG-CD2 4.44Å; L339-W375 HydrophobicContact CG-CZ2 4.4Å; L339-V404 HydrophobicContact CB-CB 4.09Å; L339-V404 HydrophobicContact CD2-CB 3.91Å; L339-V404 HydrophobicContact CD2-CG1 3.63Å; L339-V404 HydrophobicContact CG-CB 3.79Å; L339-V404 HydrophobicContact CG-CG1 4.11Å; L339-V404 HydrophobicContact CG-CG2 4.28Å; L339-V404 WeakPolarHBondContact O-CB 3.41Å; L339-V404 PolarHBondContact O-N 2.9Å; L339-A405 HydrophobicContact CB-CB 3.94Å; L339-A405 PolarHBondContact N-O 3.38Å
340	L	97.6	Very high	96.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	151.5	170	-59.3	171.5	0	0	0	109.8	L338 D342 Y348 Y350 C372 S374 Q376 F401 L403	L338-L340 HydrophobicContact CD1-CD1 4.27Å; L338-L340 HydrophobicContact CD1-CD2 3.47Å; L338-L340 VanDerWaalsContact CD1-CD2 3.47Å; L338-L340 HydrophobicContact CD1-CG 3.51Å; L340-D342 PolarHBondContact O-N 2.9Å; L340-Y348 HydrophobicContact CB-CD2 3.97Å; L340-Y348 HydrophobicContact CB-CE2 4.34Å; L340-Y348 HydrophobicContact CD1-CD2 4.27Å; L340-Y348 HydrophobicContact CD2-CD2 4.3Å; L340-Y348 HydrophobicContact CD2-CG 4.46Å; L340-Y348 HydrophobicContact CG-CD2 4.41Å; L340-Y350 HydrophobicContact CD1-CD1 4.48Å; L340-Y350 HydrophobicContact CD1-CE1 4.05Å; L340-C372 HydrophobicContact CD1-CB 3.64Å; L340-S374 PolarHBondContact N-O 3.08Å; L340-S374 VanDerWaalsContact N-O 3.08Å; L340-Q376 HydrophobicContact CD1-CG 4Å; L340-Q376 HydrophobicContact CG-CG 4.26Å; L340-F401 HydrophobicContact CD2-CE2 3.93Å; L340-F401 HydrophobicContact CD2-CZ 3.6Å; L340-L403 HydrophobicContact CD2-CD1 4.43Å
341	W	95.3	Very high	96.5	Very high	7 Å²	7	23 Å²	23	3%	0.027	11%	0.114	C	C	.	.			trans	-55	126.8	172.1	177.7	-79.6	0	0	0	111.8	Y304 D305 L306 F310 R343 D344 Y348 H402	Y304-W341 AromaticContact CD2-CE3 3.9Å; Y304-W341 HydrophobicContact CD2-CE3 3.9Å; Y304-W341 AromaticContact CD2-CZ3 3.84Å; Y304-W341 HydrophobicContact CD2-CZ3 3.84Å; Y304-W341 HydrophobicContact CE2-CE3 4.32Å; D305-W341 WeakPolarHBondContact O-CH2 3.17Å; D305-W341 WeakPolarHBondContact O-CZ3 3.45Å; L306-W341 HydrophobicContact CD2-CH2 4.1Å; L306-W341 HydrophobicContact CD2-CZ2 3.86Å; F310-W341 HydrophobicContact CD1-CE3 4.15Å; F310-W341 AromaticContact CD1-CZ3 3.83Å; F310-W341 HydrophobicContact CD1-CZ3 3.83Å; F310-W341 AromaticContact CE1-CZ3 3.96Å; F310-W341 HydrophobicContact CE1-CZ3 3.96Å; W341-R343 HydrophobicContact CH2-CB 4.41Å; W341-R343 HydrophobicContact CH2-CG 4.19Å; W341-R343 HydrophobicContact CZ2-CB 3.67Å; W341-R343 HydrophobicContact CZ2-CG 3.92Å; W341-D344 PolarHBondContact NE1-OD2 3.09Å; W341-D344 VanDerWaalsContact NE1-OD2 3.12Å; W341-Y348 HydrophobicContact CB-CE2 3.95Å; W341-Y348 WeakPolarHBondContact CB-OH 3.12Å; W341-H402 HydrophobicContact CB-CB 4.01Å
342	D	94.4	Very high	96.6	Very high	37 Å²	37	22.9 Å²	22.9	20%	0.198	11%	0.112	C	C	.	.			trans	-138.4	17.5	-173.9	64.2	-3.8	0	0	0	113.7	Y304 L340 D344 R373 S374	Y304-D342 PolarHBondContact OH-OD1 2.98Å; L340-D342 PolarHBondContact O-N 2.9Å; D342-D344 VanDerWaalsContact C-N 3.32Å; D342-D344 PolarHBondContact O-N 2.78Å; D342-R373 HydrophobicContact CB-CG 4.25Å; D342-R373 PolarHBondContact O-NH2 2.88Å; D342-S374 VanDerWaalsContact OD2-CB 3.29Å; D342-S374 WeakPolarHBondContact OD2-CB 3.13Å; D342-S374 PolarHBondContact OD2-OG 2.75Å
343	R	93.6	Very high	96.6	Very high	129 Å²	129	23.2 Å²	23.2	49%	0.487	11%	0.113	S	C	.	.	S	Bend	trans	-75	-17.4	176.4	-60.6	-58.3	-170.3	-177.2	-2.5	114.6	Q302 Y304 W341	Q302-R343 PolarHBondContact O-NH2 2.61Å; Y304-R343 HydrophobicContact CD2-CG 4.05Å; Y304-R343 VanDerWaalsContact CE1-NH2 3.26Å; Y304-R343 HydrophobicContact CE2-CG 3.59Å; W341-R343 HydrophobicContact CH2-CB 4.41Å; W341-R343 HydrophobicContact CH2-CG 4.19Å; W341-R343 HydrophobicContact CZ2-CB 3.67Å; W341-R343 HydrophobicContact CZ2-CG 3.92Å
344	D	92.4	Very high	96.6	Very high	51 Å²	51	23.1 Å²	23.1	27%	0.273	11%	0.113	S	C	.	.	S	Bend	trans	-136.2	173.2	173.3	62.5	47.6	0	0	0	109.3	W341 D342 R346 R373	W341-D344 PolarHBondContact NE1-OD2 3.09Å; W341-D344 VanDerWaalsContact NE1-OD2 3.12Å; D342-D344 VanDerWaalsContact C-N 3.32Å; D342-D344 PolarHBondContact O-N 2.78Å; D344-R346 VanDerWaalsContact CG-NE 3.33Å; D344-R346 PolarHBondContact O-N 3.32Å; D344-R346 WeakPolarHBondContact OD1-CB 3.17Å; D344-R346 WeakPolarHBondContact OD1-CD 3.43Å; D344-R346 WeakPolarHBondContact OD1-CG 3.39Å; D344-R346 IonicContact OD1-CZ 3.68Å; D344-R346 PolarHBondContact OD1-N 2.9Å; D344-R346 IonicContact OD1-NE 2.97Å; D344-R346 PolarHBondContact OD1-NE 3.4Å; D344-R346 IonicContact OD1-NH2 2.76Å; D344-R346 IonicContact OD2-CZ 3.88Å; D344-R346 IonicContact OD2-NE 3.52Å; D344-R346 PolarHBondContact OD2-NE 2.85Å; D344-R346 IonicContact OD2-NH2 3.25Å; D344-R346 PolarHBondContact OD2-NH2 2.96Å; D344-R373 PolarHBondContact O-NH1 3.08Å; D344-R373 PolarHBondContact O-NH2 3.02Å
345	S	90.6	Very high	96.5	Very high	104 Å²	104	23 Å²	23	73%	0.727	11%	0.112	S	C	*	.	S	Bend	trans	-69.1	8	-172.4	56.6	0	0	0	0	116.8	R373	S345-R373 VanDerWaalsContact CA-NH1 3.26Å
346	R	94.8	Very high	96.4	Very high	21 Å²	21	23.5 Å²	23.5	8%	0.079	12%	0.115	C	C	.	.			trans	-64.3	153.4	-179.8	76.7	-174.7	64.6	178.4	1.9	113.4	D344 Y348 R373 T396 V397	D344-R346 VanDerWaalsContact CG-NE 3.33Å; D344-R346 PolarHBondContact O-N 3.32Å; D344-R346 WeakPolarHBondContact OD1-CB 3.17Å; D344-R346 WeakPolarHBondContact OD1-CD 3.43Å; D344-R346 WeakPolarHBondContact OD1-CG 3.39Å; D344-R346 IonicContact OD1-CZ 3.68Å; D344-R346 PolarHBondContact OD1-N 2.9Å; D344-R346 IonicContact OD1-NE 2.97Å; D344-R346 PolarHBondContact OD1-NE 3.4Å; D344-R346 IonicContact OD1-NH2 2.76Å; D344-R346 IonicContact OD2-CZ 3.88Å; D344-R346 IonicContact OD2-NE 3.52Å; D344-R346 PolarHBondContact OD2-NE 2.85Å; D344-R346 IonicContact OD2-NH2 3.25Å; D344-R346 PolarHBondContact OD2-NH2 2.96Å; R346-Y348 WeakPolarHBondContact CD-OH 3.44Å; R346-Y348 HydrophobicContact CG-CE2 3.82Å; R346-R373 PolarHBondContact O-NH1 3.35Å; R346-T396 WeakPolarHBondContact CA-OG1 3.28Å; R346-V397 HydrophobicContact CB-CB 4.26Å; R346-V397 HydrophobicContact CB-CG2 3.49Å; R346-V397 VanDerWaalsContact CB-CG2 3.49Å
347	S	96.9	Very high	96.2	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.021	13%	0.129	C	C	.	.			trans	-131.3	157.9	173.4	-58.7	0	0	0	0	110.4	C372 N395 T396 Q475	S347-C372 CarbonylContact C-O 3.55Å; S347-C372 WeakPolarHBondContact CA-O 3.34Å; S347-N395 WeakPolarHBondContact O-CA 3.49Å; S347-T396 PolarHBondContact N-OG1 2.99Å; S347-T396 PolarHBondContact O-N 2.95Å; S347-T396 VanDerWaalsContact O-N 3.11Å; S347-Q475 PolarHBondContact OG-NE2 3.16Å
348	Y	97.8	Very high	96	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	151.5	-176.7	-61.6	-87.7	0	0	0	112.1	L340 W341 R346 C372 H394 N395 F401 H402	L340-Y348 HydrophobicContact CB-CD2 3.97Å; L340-Y348 HydrophobicContact CB-CE2 4.34Å; L340-Y348 HydrophobicContact CD1-CD2 4.27Å; L340-Y348 HydrophobicContact CD2-CD2 4.3Å; L340-Y348 HydrophobicContact CD2-CG 4.46Å; L340-Y348 HydrophobicContact CG-CD2 4.41Å; W341-Y348 HydrophobicContact CB-CE2 3.95Å; W341-Y348 WeakPolarHBondContact CB-OH 3.12Å; R346-Y348 WeakPolarHBondContact CD-OH 3.44Å; R346-Y348 HydrophobicContact CG-CE2 3.82Å; Y348-C372 PolarHBondContact N-O 3.42Å; Y348-C372 WeakPolarHBondContact O-CB 3.42Å; Y348-C372 PolarHBondContact O-N 3.02Å; Y348-H394 VanDerWaalsContact CA-O 3.3Å; Y348-H394 WeakPolarHBondContact CA-O 3.26Å; Y348-N395 HydrophobicContact CD1-CB 3.7Å; Y348-N395 HydrophobicContact CE1-CB 3.72Å; Y348-N395 VanDerWaalsContact CE1-ND2 3.27Å; Y348-N395 WeakPolarHBondContact CE1-ND2 3.43Å; Y348-F401 AromaticContact CD1-CD2 3.6Å; Y348-F401 HydrophobicContact CD1-CD2 3.6Å; Y348-F401 HydrophobicContact CD1-CE2 4.01Å; Y348-F401 HydrophobicContact CD1-CG 4.45Å; Y348-F401 HydrophobicContact CE1-CD2 4.29Å; Y348-F401 HydrophobicContact CG-CD2 4.17Å; Y348-F401 HydrophobicContact CG-CE2 4.1Å; Y348-H402 AromaticContact CZ-ND1 3.96Å; Y348-H402 WeakPolarHBondContact OH-CB 3.41Å; Y348-H402 PolarHBondContact OH-ND1 3.3Å
349	S	97.4	Very high	95.8	Very high	5 Å²	5	33.3 Å²	33.3	4%	0.035	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.1	164.4	-50.1	0	0	0	0	108.6	H367 S368 Y370 T393 H394	S349-H367 WeakPolarHBondContact CB-O 3.16Å; S349-S368 WeakPolarHBondContact CB-O 3.49Å; S349-Y370 WeakPolarHBondContact CA-O 3.45Å; S349-Y370 VanDerWaalsContact CB-O 3.3Å; S349-Y370 WeakPolarHBondContact CB-O 3.45Å; S349-Y370 PolarHBondContact OG-O 2.89Å; S349-T393 PolarHBondContact O-N 3.15Å; S349-T393 PolarHBondContact O-OG1 3.24Å; S349-H394 PolarHBondContact N-O 3.19Å; S349-H394 PolarHBondContact O-N 2.61Å; S349-H394 VanDerWaalsContact O-N 3.16Å
350	Y	97.6	Very high	95.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	167.5	-173.5	65	-86.6	0	0	0	111.6	L338 L340 I352 I365 H367 S368 C372 Q376 L378 V391 F401	L338-Y350 HydrophobicContact CD2-CD2 4.44Å; L338-Y350 HydrophobicContact CD2-CE2 3.78Å; L340-Y350 HydrophobicContact CD1-CD1 4.48Å; L340-Y350 HydrophobicContact CD1-CE1 4.05Å; Y350-I352 HydrophobicContact CD2-CD1 4.49Å; Y350-I352 HydrophobicContact CD2-CG1 4Å; Y350-I352 HydrophobicContact CE2-CD1 4.02Å; Y350-I352 HydrophobicContact CE2-CG1 3.98Å; Y350-I365 HydrophobicContact CE2-CG2 4.33Å; Y350-H367 HydrophobicContact CD1-CB 4.4Å; Y350-H367 HydrophobicContact CE1-CB 4.17Å; Y350-H367 HydrophobicContact CE2-CB 4.4Å; Y350-H367 AromaticContact CZ-ND1 3.68Å; Y350-H367 PolarHBondContact N-O 3.38Å; Y350-H367 CarbonylContact O-C 3.59Å; Y350-H367 WeakPolarHBondContact O-CA 3.15Å; Y350-H367 VanDerWaalsContact O-CB 3.27Å; Y350-H367 WeakPolarHBondContact O-CB 3.46Å; Y350-H367 PolarHBondContact O-N 3.37Å; Y350-H367 PolarHBondContact OH-ND1 2.96Å; Y350-S368 PolarHBondContact O-N 3.07Å; Y350-S368 VanDerWaalsContact O-N 3.14Å; Y350-C372 HydrophobicContact CD1-CB 4.46Å; Y350-C372 HydrophobicContact CE1-CB 3.79Å; Y350-Q376 HydrophobicContact CE1-CG 4.43Å; Y350-Q376 WeakPolarHBondContact OH-CG 3.47Å; Y350-L378 HydrophobicContact CE2-CD1 4.03Å; Y350-L378 WeakPolarHBondContact OH-CD1 3.18Å; Y350-V391 CarbonylContact C-O 3.59Å; Y350-V391 WeakPolarHBondContact CA-O 3.36Å; Y350-V391 WeakPolarHBondContact CB-O 3.46Å; Y350-F401 HydrophobicContact CD1-CE2 4.25Å; Y350-F401 HydrophobicContact CD1-CZ 4.42Å; Y350-F401 HydrophobicContact CG-CE2 4.22Å; Y350-F401 HydrophobicContact CG-CZ 4.21Å
351	Y	97.8	Very high	95.5	Very high	22 Å²	22	35.9 Å²	35.9	9%	0.086	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	160.5	164.9	63.6	-97.6	0	0	0	109.9	G319 E353 I365 S368 V391 T393	G319-Y351 PolarHBondContact O-OH 3.21Å; Y351-E353 HydrophobicContact CD2-CG 3.78Å; Y351-E353 VanDerWaalsContact CE2-CD 3.48Å; Y351-E353 HydrophobicContact CE2-CG 3.78Å; Y351-E353 WeakPolarHBondContact CE2-OE1 3.29Å; Y351-I365 CarbonylContact C-O 3.59Å; Y351-I365 VanDerWaalsContact CA-O 3.3Å; Y351-I365 WeakPolarHBondContact CA-O 3.23Å; Y351-I365 VanDerWaalsContact CB-O 3.28Å; Y351-I365 WeakPolarHBondContact CB-O 3.45Å; Y351-S368 WeakPolarHBondContact CD1-OG 3.32Å; Y351-V391 HydrophobicContact CD1-CB 4.2Å; Y351-V391 HydrophobicContact CD1-CG1 4.45Å; Y351-V391 HydrophobicContact CD2-CB 4.13Å; Y351-V391 HydrophobicContact CD2-CG2 4.36Å; Y351-V391 HydrophobicContact CE1-CB 3.71Å; Y351-V391 HydrophobicContact CE1-CG1 3.64Å; Y351-V391 HydrophobicContact CE1-CG2 4.46Å; Y351-V391 HydrophobicContact CE2-CB 3.62Å; Y351-V391 HydrophobicContact CE2-CG1 4.3Å; Y351-V391 HydrophobicContact CE2-CG2 3.59Å; Y351-V391 HydrophobicContact CG-CB 4.4Å; Y351-V391 VanDerWaalsContact CZ-CB 3.4Å; Y351-V391 PolarHBondContact N-O 2.86Å; Y351-V391 PolarHBondContact O-N 3.14Å; Y351-V391 WeakPolarHBondContact OH-CG1 3.42Å; Y351-T393 HydrophobicContact CD1-CG2 3.63Å; Y351-T393 HydrophobicContact CE1-CG2 3.65Å
352	I	98.2	Very high	95.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131.7	178.2	-52.5	-179.4	0	0	0	109.1	I336 L338 Y350 R363 V364 I365 L378 V388 R389 I390	I336-I352 HydrophobicContact CD1-CD1 4.42Å; I336-I352 HydrophobicContact CD1-CG2 4Å; I336-I352 HydrophobicContact CG2-CD1 4.04Å; L338-I352 HydrophobicContact CD2-CD1 3.69Å; Y350-I352 HydrophobicContact CD2-CD1 4.49Å; Y350-I352 HydrophobicContact CD2-CG1 4Å; Y350-I352 HydrophobicContact CE2-CD1 4.02Å; Y350-I352 HydrophobicContact CE2-CG1 3.98Å; I352-R363 WeakPolarHBondContact O-CA 3.27Å; I352-V364 HydrophobicContact CB-CG2 4.21Å; I352-V364 HydrophobicContact CG2-CG2 4.05Å; I352-V364 WeakPolarHBondContact O-CG2 3.49Å; I352-V364 PolarHBondContact O-N 2.91Å; I352-I365 HydrophobicContact CB-CB 4.06Å; I352-I365 HydrophobicContact CB-CG1 4.45Å; I352-I365 HydrophobicContact CD1-CB 4.37Å; I352-I365 HydrophobicContact CD1-CG1 4.36Å; I352-I365 HydrophobicContact CG1-CB 4.2Å; I352-I365 PolarHBondContact N-O 3.35Å; I352-I365 PolarHBondContact O-N 2.82Å; I352-L378 HydrophobicContact CD1-CD1 3.5Å; I352-L378 VanDerWaalsContact CD1-CD1 3.5Å; I352-V388 HydrophobicContact CG2-CG1 3.59Å; I352-R389 WeakPolarHBondContact CA-O 3.27Å; I352-I390 HydrophobicContact CG1-CG1 4.4Å
353	E	97.5	Very high	95.7	Very high	24 Å²	24	40.1 Å²	40.1	11%	0.112	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	149.5	174.4	-58.9	176.8	151.2	0	0	110.6	Y351 W361 V362 R363 V388 R389	Y351-E353 HydrophobicContact CD2-CG 3.78Å; Y351-E353 VanDerWaalsContact CE2-CD 3.48Å; Y351-E353 HydrophobicContact CE2-CG 3.78Å; Y351-E353 WeakPolarHBondContact CE2-OE1 3.29Å; E353-W361 HydrophobicContact CB-CB 4.18Å; E353-W361 HydrophobicContact CB-CD2 4.4Å; E353-W361 HydrophobicContact CB-CE3 3.67Å; E353-V362 CarbonylContact C-O 3.56Å; E353-V362 WeakPolarHBondContact CA-O 3.49Å; E353-R363 HydrophobicContact CG-CB 4.22Å; E353-V388 CarbonylContact O-C 3.56Å; E353-V388 WeakPolarHBondContact O-CA 3.32Å; E353-R389 PolarHBondContact N-O 3.47Å; E353-R389 PolarHBondContact O-N 2.83Å; E353-R389 IonicContact OE2-NH1 3.46Å; E353-R389 PolarHBondContact OE2-NH1 2.91Å
354	V	97.8	Very high	95.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150	174.3	-57.5	0	0	0	0	110.4	M264 I333 V362 V364 C385 Y387 V388	M264-V354 HydrophobicContact CE-CG2 4.06Å; I333-V354 HydrophobicContact CD1-CG1 4.3Å; V354-V362 PolarHBondContact N-O 3.2Å; V354-V362 PolarHBondContact O-N 2.8Å; V354-V364 HydrophobicContact CG1-CG1 4.15Å; V354-V364 HydrophobicContact CG1-CG2 3.85Å; V354-V364 HydrophobicContact CG2-CG1 3.64Å; V354-C385 HydrophobicContact CB-CB 3.73Å; V354-C385 HydrophobicContact CG1-CB 4.43Å; V354-C385 HydrophobicContact CG2-CB 4.22Å; V354-Y387 CarbonylContact C-O 3.57Å; V354-Y387 VanDerWaalsContact CA-O 3.29Å; V354-Y387 WeakPolarHBondContact CA-O 3.23Å; V354-V388 HydrophobicContact CG1-CG1 4.49Å; V354-V388 HydrophobicContact CG1-CG2 4.33Å
355	S	97.1	Very high	96.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	155.9	-178.6	-179.1	0	0	0	0	111.8	M264 D357 E358 D360 W361 R386 Y387	M264-S355 VanDerWaalsContact SD-CA 3.55Å; S355-D357 PolarHBondContact OG-N 3.33Å; S355-D357 PolarHBondContact OG-OD1 3.36Å; S355-E358 PolarHBondContact OG-N 2.85Å; S355-D360 WeakPolarHBondContact CB-O 3.47Å; S355-D360 PolarHBondContact OG-O 2.71Å; S355-W361 VanDerWaalsContact CB-CE3 3.49Å; S355-R386 PolarHBondContact O-N 3.09Å; S355-Y387 PolarHBondContact N-O 2.86Å; S355-Y387 PolarHBondContact O-N 2.86Å
356	M	96.2	Very high	96.4	Very high	24 Å²	24	31.7 Å²	31.7	12%	0.118	15%	0.154	C	C	.	.	S	Bend	trans	-94.6	-26.2	170.2	-77.7	-62.1	-59.2	0	0	112.8	M264 Y268 P330 V384 C385 R386 Y387	M264-M356 HydrophobicContact CE-CG 4.42Å; M264-M356 HydrophobicContact SD-CB 3.86Å; M264-M356 HydrophobicContact SD-CG 3.7Å; M264-M356 PolarHBondContact SD-N 3.08Å; Y268-M356 HydrophobicContact CD1-CE 3.58Å; Y268-M356 HydrophobicContact CD2-CE 4.35Å; Y268-M356 HydrophobicContact CD2-CG 3.79Å; Y268-M356 HydrophobicContact CE1-CE 3.79Å; Y268-M356 HydrophobicContact CE2-CB 4.17Å; Y268-M356 HydrophobicContact CE2-CG 3.85Å; Y268-M356 HydrophobicContact CG-CE 3.88Å; Y268-M356 HydrophobicContact CG-CG 4.2Å; Y268-M356 HydrophobicContact CG-SD 4.35Å; P330-M356 HydrophobicContact CB-CE 3.94Å; P330-M356 HydrophobicContact CB-SD 4.39Å; P330-M356 HydrophobicContact CG-CE 4.09Å; M356-V384 HydrophobicContact SD-CG1 3.97Å; M356-C385 VanDerWaalsContact SD-CA 3.55Å; M356-R386 HydrophobicContact SD-CB 4.18Å; M356-Y387 WeakPolarHBondContact O-CE2 3.35Å
357	D	93.3	Very high	96.5	Very high	55 Å²	55	31 Å²	31	29%	0.294	15%	0.151	S	C	.	.	S	Bend	trans	-133.6	1	-167	64.3	1.6	0	0	0	115.2	N263 S355 L359 D360	N263-D357 PolarHBondContact ND2-OD2 3.38Å; S355-D357 PolarHBondContact OG-N 3.33Å; S355-D357 PolarHBondContact OG-OD1 3.36Å; D357-L359 PolarHBondContact O-N 3.27Å; D357-L359 PolarHBondContact OD1-N 2.87Å; D357-D360 PolarHBondContact OD1-N 2.88Å
358	E	94.2	Very high	96.5	Very high	67 Å²	67	32.5 Å²	32.5	31%	0.313	16%	0.162	S	C	.	.	S	Bend	trans	67.8	2.9	-173.8	-47.7	-179.6	58.3	0	0	115.6	Q324 S355 W361 Y387	Q324-E358 VanDerWaalsContact NE2-CD 3.3Å; Q324-E358 PolarHBondContact NE2-OE1 2.94Å; S355-E358 PolarHBondContact OG-N 2.85Å; E358-W361 HydrophobicContact CB-CZ2 4.05Å; E358-W361 HydrophobicContact CG-CZ2 4.47Å; E358-W361 PolarHBondContact O-NE1 2.96Å; E358-Y387 HydrophobicContact CG-CD1 3.61Å; E358-Y387 HydrophobicContact CG-CD2 3.62Å; E358-Y387 HydrophobicContact CG-CE1 3.49Å; E358-Y387 VanDerWaalsContact CG-CE1 3.49Å; E358-Y387 HydrophobicContact CG-CE2 3.57Å; E358-Y387 HydrophobicContact CG-CG 3.64Å; E358-Y387 VanDerWaalsContact CG-CZ 3.47Å; E358-Y387 WeakPolarHBondContact OE2-CE1 3.33Å; E358-Y387 PolarHBondContact OE2-OH 2.88Å
359	L	92.9	Very high	96.3	Very high	150 Å²	150	40.4 Å²	40.4	79%	0.785	20%	0.197	S	C	*	.	S	Bend	trans	-106	-50.1	-179.4	-58.3	177.4	0	0	0	110.8	D357	D357-L359 PolarHBondContact O-N 3.27Å; D357-L359 PolarHBondContact OD1-N 2.87Å
360	D	94.4	Very high	96.3	Very high	25 Å²	25	42.2 Å²	42.2	13%	0.134	20%	0.203	C	C	.	.	S	Bend	trans	-98.9	118	177.3	-173.5	27.3	0	0	0	110.2	R262 N263 M264 S355 D357	R262-D360 WeakPolarHBondContact CB-OD2 3.48Å; R262-D360 IonicContact CZ-OD1 3.74Å; R262-D360 IonicContact NE-OD1 2.78Å; R262-D360 PolarHBondContact NE-OD1 2.93Å; R262-D360 IonicContact NE-OD2 3.16Å; R262-D360 IonicContact NH2-OD1 3.68Å; R262-D360 PolarHBondContact NH2-OD1 3.44Å; N263-D360 HydrophobicContact CB-CB 3.99Å; N263-D360 PolarHBondContact N-OD2 3.03Å; N263-D360 VanDerWaalsContact N-OD2 3.1Å; M264-D360 WeakPolarHBondContact CB-OD2 3.35Å; M264-D360 HydrophobicContact CG-CB 4.21Å; M264-D360 WeakPolarHBondContact CG-O 3.12Å; M264-D360 PolarHBondContact N-OD2 2.86Å; S355-D360 WeakPolarHBondContact CB-O 3.47Å; S355-D360 PolarHBondContact OG-O 2.71Å; D357-D360 PolarHBondContact OD1-N 2.88Å
361	W	95.3	Very high	96.3	Very high	30 Å²	30	43 Å²	43	11%	0.114	21%	0.207	C	C	.	.			trans	-115.9	139.7	-175.8	-67.1	84.6	0	0	0	110.4	R262 Q324 E353 S355 E358 R389	R262-W361 PolarHBondContact NH2-O 2.97Å; Q324-W361 HydrophobicContact CG-CH2 4.04Å; E353-W361 HydrophobicContact CB-CB 4.18Å; E353-W361 HydrophobicContact CB-CD2 4.4Å; E353-W361 HydrophobicContact CB-CE3 3.67Å; S355-W361 VanDerWaalsContact CB-CE3 3.49Å; E358-W361 HydrophobicContact CB-CZ2 4.05Å; E358-W361 HydrophobicContact CG-CZ2 4.47Å; E358-W361 PolarHBondContact O-NE1 2.96Å; W361-R389 HydrophobicContact CE3-CB 3.93Å; W361-R389 HydrophobicContact CH2-CB 3.76Å; W361-R389 HydrophobicContact CZ3-CB 3.37Å
362	V	96.3	Very high	96.3	Very high	21 Å²	21	42 Å²	42	13%	0.127	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.2	172.3	177.4	0	0	0	0	109.4	M264 E353 V354 V364	M264-V362 HydrophobicContact CB-CG2 3.48Å; M264-V362 VanDerWaalsContact CB-CG2 3.48Å; M264-V362 HydrophobicContact CG-CG2 3.88Å; E353-V362 CarbonylContact C-O 3.56Å; E353-V362 WeakPolarHBondContact CA-O 3.49Å; V354-V362 PolarHBondContact N-O 3.2Å; V354-V362 PolarHBondContact O-N 2.8Å; V362-V364 PolarHBondContact O-N 3.25Å
363	R	96.6	Very high	96.2	Very high	112 Å²	112	43.5 Å²	43.5	42%	0.423	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	119.2	172.6	-171	172.9	-61.8	-178.9	-1.6	110	I352 E353 I365 D366	I352-R363 WeakPolarHBondContact O-CA 3.27Å; E353-R363 HydrophobicContact CG-CB 4.22Å; R363-I365 WeakPolarHBondContact CG-O 3.39Å; R363-D366 WeakPolarHBondContact CD-OD2 3.28Å; R363-D366 HydrophobicContact CG-CB 4.38Å; R363-D366 IonicContact CZ-OD2 3.8Å; R363-D366 IonicContact NE-OD2 2.83Å; R363-D366 IonicContact NH1-OD2 3Å; R363-D366 PolarHBondContact NH1-OD2 2.72Å
364	V	97.4	Very high	96.2	Very high	26 Å²	26	42.8 Å²	42.8	16%	0.158	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-26.7	178.2	-68.4	0	0	0	0	112.4	I352 V354 V362 F380	I352-V364 HydrophobicContact CB-CG2 4.21Å; I352-V364 HydrophobicContact CG2-CG2 4.05Å; I352-V364 WeakPolarHBondContact O-CG2 3.49Å; I352-V364 PolarHBondContact O-N 2.91Å; V354-V364 HydrophobicContact CG1-CG1 4.15Å; V354-V364 HydrophobicContact CG1-CG2 3.85Å; V354-V364 HydrophobicContact CG2-CG1 3.64Å; V362-V364 PolarHBondContact O-N 3.25Å; V364-F380 HydrophobicContact CB-CB 4.21Å; V364-F380 HydrophobicContact CB-CD1 4.25Å; V364-F380 HydrophobicContact CB-CD2 3.88Å; V364-F380 HydrophobicContact CB-CE2 4.34Å; V364-F380 HydrophobicContact CB-CG 3.84Å; V364-F380 HydrophobicContact CG1-CD2 3.9Å; V364-F380 HydrophobicContact CG1-CE2 4.21Å; V364-F380 HydrophobicContact CG1-CG 4.37Å; V364-F380 HydrophobicContact CG2-CD1 4.36Å; V364-F380 HydrophobicContact CG2-CE1 4.42Å; V364-F380 HydrophobicContact CG2-CG 4.42Å
365	I	98.1	Very high	96.2	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.041	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.7	175.3	-59.1	-66	0	0	0	108.4	Y350 Y351 I352 R363 L378 F380	Y350-I365 HydrophobicContact CE2-CG2 4.33Å; Y351-I365 CarbonylContact C-O 3.59Å; Y351-I365 VanDerWaalsContact CA-O 3.3Å; Y351-I365 WeakPolarHBondContact CA-O 3.23Å; Y351-I365 VanDerWaalsContact CB-O 3.28Å; Y351-I365 WeakPolarHBondContact CB-O 3.45Å; I352-I365 HydrophobicContact CB-CB 4.06Å; I352-I365 HydrophobicContact CB-CG1 4.45Å; I352-I365 HydrophobicContact CD1-CB 4.37Å; I352-I365 HydrophobicContact CD1-CG1 4.36Å; I352-I365 HydrophobicContact CG1-CB 4.2Å; I352-I365 PolarHBondContact N-O 3.35Å; I352-I365 PolarHBondContact O-N 2.82Å; R363-I365 WeakPolarHBondContact CG-O 3.39Å; I365-L378 HydrophobicContact CD1-CB 3.88Å; I365-L378 HydrophobicContact CG1-CB 4.08Å; I365-L378 HydrophobicContact CG1-CD1 4.29Å; I365-L378 HydrophobicContact CG2-CD1 4.3Å; I365-L378 HydrophobicContact CG2-CD2 4.32Å; I365-F380 HydrophobicContact CD1-CB 4.48Å; I365-F380 HydrophobicContact CD1-CD1 4.24Å; I365-F380 HydrophobicContact CG1-CD1 4.41Å
366	D	97.3	Very high	96.2	Very high	73 Å²	73	44.5 Å²	44.5	39%	0.39	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	93.4	173.7	-165.1	-25.8	0	0	0	110.7	R363 S368	R363-D366 WeakPolarHBondContact CD-OD2 3.28Å; R363-D366 HydrophobicContact CG-CB 4.38Å; R363-D366 IonicContact CZ-OD2 3.8Å; R363-D366 IonicContact NE-OD2 2.83Å; R363-D366 IonicContact NH1-OD2 3Å; R363-D366 PolarHBondContact NH1-OD2 2.72Å; D366-S368 WeakPolarHBondContact OD1-CB 3.36Å; D366-S368 PolarHBondContact OD1-N 3.18Å; D366-S368 VanDerWaalsContact OD1-N 3.09Å; D366-S368 PolarHBondContact OD1-OG 3.34Å
367	H	97.5	Very high	96.3	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.023	22%	0.219	C	C	.	.			trans	-104.4	21.7	174.5	-73.1	-167.8	0	0	0	112	S349 Y350 K369 Y370 L378 P479	S349-H367 WeakPolarHBondContact CB-O 3.16Å; Y350-H367 HydrophobicContact CD1-CB 4.4Å; Y350-H367 HydrophobicContact CE1-CB 4.17Å; Y350-H367 HydrophobicContact CE2-CB 4.4Å; Y350-H367 AromaticContact CZ-ND1 3.68Å; Y350-H367 PolarHBondContact N-O 3.38Å; Y350-H367 CarbonylContact O-C 3.59Å; Y350-H367 WeakPolarHBondContact O-CA 3.15Å; Y350-H367 VanDerWaalsContact O-CB 3.27Å; Y350-H367 WeakPolarHBondContact O-CB 3.46Å; Y350-H367 PolarHBondContact O-N 3.37Å; Y350-H367 PolarHBondContact OH-ND1 2.96Å; H367-K369 PolarHBondContact O-N 2.81Å; H367-K369 VanDerWaalsContact O-N 3.1Å; H367-Y370 HydrophobicContact CB-CD2 4.28Å; H367-Y370 PolarHBondContact O-N 2.9Å; H367-Y370 VanDerWaalsContact O-N 3.16Å; H367-L378 VanDerWaalsContact CE1-CD2 3.46Å; H367-L378 WeakPolarHBondContact CE1-CD2 3.16Å; H367-P479 WeakPolarHBondContact CE1-CG 3.5Å
368	S	95.1	Very high	96.5	Very high	36 Å²	36	43 Å²	43	25%	0.252	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.2	-175	-74.1	0	0	0	0	114.6	S349 Y350 Y351 D366 T393	S349-S368 WeakPolarHBondContact CB-O 3.49Å; Y350-S368 PolarHBondContact O-N 3.07Å; Y350-S368 VanDerWaalsContact O-N 3.14Å; Y351-S368 WeakPolarHBondContact CD1-OG 3.32Å; D366-S368 WeakPolarHBondContact OD1-CB 3.36Å; D366-S368 PolarHBondContact OD1-N 3.18Å; D366-S368 VanDerWaalsContact OD1-N 3.09Å; D366-S368 PolarHBondContact OD1-OG 3.34Å; S368-T393 WeakPolarHBondContact OG-CG2 3.41Å; S368-T393 PolarHBondContact OG-OG1 2.84Å
369	K	94.4	Very high	96.7	Very high	166 Å²	166	42 Å²	42	72%	0.722	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.1	3.8	179.4	-61.4	-179.1	-176.5	175	0	113.8	H367	H367-K369 PolarHBondContact O-N 2.81Å; H367-K369 VanDerWaalsContact O-N 3.1Å
370	Y	96.9	Very high	96.9	Very high	42 Å²	42	35.2 Å²	35.2	17%	0.165	16%	0.163	C	C	.	.	S	Bend	trans	-120.5	145.5	-172	-52.5	-93.8	0	0	0	110.6	S349 H367 L421 P479 T505 P533	S349-Y370 WeakPolarHBondContact CA-O 3.45Å; S349-Y370 VanDerWaalsContact CB-O 3.3Å; S349-Y370 WeakPolarHBondContact CB-O 3.45Å; S349-Y370 PolarHBondContact OG-O 2.89Å; H367-Y370 HydrophobicContact CB-CD2 4.28Å; H367-Y370 PolarHBondContact O-N 2.9Å; H367-Y370 VanDerWaalsContact O-N 3.16Å; Y370-L421 HydrophobicContact CE1-CD1 4.09Å; Y370-P479 HydrophobicContact CD1-CB 3.41Å; Y370-P479 VanDerWaalsContact CD1-CB 3.41Å; Y370-P479 HydrophobicContact CD1-CG 3.95Å; Y370-P479 HydrophobicContact CD2-CG 4.29Å; Y370-P479 HydrophobicContact CE1-CB 3.89Å; Y370-P479 HydrophobicContact CG-CB 3.81Å; Y370-P479 HydrophobicContact CG-CG 3.8Å; Y370-T505 WeakPolarHBondContact CA-O 3.14Å; Y370-T505 HydrophobicContact CD1-CG2 3.53Å; Y370-T505 HydrophobicContact CE1-CG2 3.5Å; Y370-T505 VanDerWaalsContact CE1-CG2 3.5Å; Y370-P533 HydrophobicContact CE1-CB 4.2Å
371	L	97.6	Very high	96.9	Very high	18 Å²	18	39 Å²	39	9%	0.094	19%	0.187	C	C	.	.			trans	-93.3	109.6	172	-63.7	178.5	0	0	0	109.6	T396 T505 N506 F536	L371-T396 HydrophobicContact CD1-CG2 4.4Å; L371-T396 HydrophobicContact CD2-CG2 3.84Å; L371-T505 PolarHBondContact N-O 2.82Å; L371-N506 WeakPolarHBondContact CD1-O 3.47Å; L371-F536 HydrophobicContact CB-CE2 3.8Å; L371-F536 HydrophobicContact CB-CZ 3.77Å; L371-F536 HydrophobicContact CD1-CE2 4.16Å; L371-F536 HydrophobicContact CD1-CZ 4.1Å; L371-F536 HydrophobicContact CG-CE2 4.45Å
372	C	97.9	Very high	97	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-107.7	152.8	-176.2	-54.5	0	0	0	0	110.8	L340 S347 Y348 Y350 P479	L340-C372 HydrophobicContact CD1-CB 3.64Å; S347-C372 CarbonylContact C-O 3.55Å; S347-C372 WeakPolarHBondContact CA-O 3.34Å; Y348-C372 PolarHBondContact N-O 3.42Å; Y348-C372 WeakPolarHBondContact O-CB 3.42Å; Y348-C372 PolarHBondContact O-N 3.02Å; Y350-C372 HydrophobicContact CD1-CB 4.46Å; Y350-C372 HydrophobicContact CE1-CB 3.79Å; C372-P479 VanDerWaalsContact SG-CD 3.6Å
373	R	96.2	Very high	97	Very high	32 Å²	32	43.1 Å²	43.1	12%	0.121	21%	0.209	C	C	.	.			trans	-154.4	146.4	-177	-178.8	-170.5	179.4	78.5	4.6	111.9	D342 D344 S345 R346 Q376 A477	D342-R373 HydrophobicContact CB-CG 4.25Å; D342-R373 PolarHBondContact O-NH2 2.88Å; D344-R373 PolarHBondContact O-NH1 3.08Å; D344-R373 PolarHBondContact O-NH2 3.02Å; S345-R373 VanDerWaalsContact CA-NH1 3.26Å; R346-R373 PolarHBondContact O-NH1 3.35Å; R373-Q376 VanDerWaalsContact C-NE2 3.33Å; R373-Q376 PolarHBondContact O-NE2 2.99Å; R373-A477 PolarHBondContact N-O 3.01Å; R373-A477 CarbonylContact O-C 3.58Å; R373-A477 WeakPolarHBondContact O-CA 3.4Å
374	S	97.3	Very high	97	Very high	8 Å²	8	38.6 Å²	38.6	6%	0.056	19%	0.194	C	C	.	.	S	Bend	trans	60.3	-150.7	176.3	-163.4	0	0	0	0	111.6	L340 D342 Q376 C434	L340-S374 PolarHBondContact N-O 3.08Å; L340-S374 VanDerWaalsContact N-O 3.08Å; D342-S374 VanDerWaalsContact OD2-CB 3.29Å; D342-S374 WeakPolarHBondContact OD2-CB 3.13Å; D342-S374 PolarHBondContact OD2-OG 2.75Å; S374-Q376 PolarHBondContact O-N 3.49Å; S374-Q376 PolarHBondContact O-NE2 3.38Å; S374-C434 PolarHBondContact OG-SG 3.24Å
375	W	97.9	Very high	97	Very high	36 Å²	36	37.4 Å²	37.4	14%	0.136	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	129.6	179.9	-79.7	106.3	0	0	0	112.7	T301 R337 L338 L339 A405 A477	T301-W375 HydrophobicContact CG2-CH2 3.84Å; T301-W375 HydrophobicContact CG2-CZ2 3.52Å; R337-W375 HydrophobicContact CB-CE3 4.25Å; R337-W375 HydrophobicContact CB-CZ3 4.01Å; L338-W375 CarbonylContact O-C 3.49Å; L338-W375 WeakPolarHBondContact O-CA 3.32Å; L339-W375 HydrophobicContact CB-CD2 3.94Å; L339-W375 HydrophobicContact CB-CE3 4Å; L339-W375 HydrophobicContact CB-CH2 4.01Å; L339-W375 HydrophobicContact CB-CZ2 3.94Å; L339-W375 HydrophobicContact CB-CZ3 4.03Å; L339-W375 HydrophobicContact CD1-CD2 4.08Å; L339-W375 HydrophobicContact CD1-CG 3.94Å; L339-W375 HydrophobicContact CD2-CZ2 3.92Å; L339-W375 HydrophobicContact CG-CD2 4.44Å; L339-W375 HydrophobicContact CG-CZ2 4.4Å; W375-A405 HydrophobicContact CH2-CB 4.03Å; W375-A477 WeakPolarHBondContact O-CB 3.47Å
376	Q	98	Very high	97	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134	170.1	-40.6	-68.3	-70.5	0	0	108.2	R337 L338 L340 Y350 R373 S374 L378 A477	R337-Q376 WeakPolarHBondContact CA-O 3.37Å; L338-Q376 HydrophobicContact CD1-CB 4.01Å; L338-Q376 HydrophobicContact CD1-CG 3.38Å; L338-Q376 HydrophobicContact CG-CB 3.94Å; L338-Q376 HydrophobicContact CG-CG 3.89Å; L338-Q376 PolarHBondContact N-O 2.86Å; L338-Q376 VanDerWaalsContact N-O 3.1Å; L338-Q376 PolarHBondContact O-N 2.5Å; L340-Q376 HydrophobicContact CD1-CG 4Å; L340-Q376 HydrophobicContact CG-CG 4.26Å; Y350-Q376 HydrophobicContact CE1-CG 4.43Å; Y350-Q376 WeakPolarHBondContact OH-CG 3.47Å; R373-Q376 VanDerWaalsContact C-NE2 3.33Å; R373-Q376 PolarHBondContact O-NE2 2.99Å; S374-Q376 PolarHBondContact O-N 3.49Å; S374-Q376 PolarHBondContact O-NE2 3.38Å; Q376-L378 HydrophobicContact CB-CD1 4.23Å; Q376-L378 HydrophobicContact CB-CD2 3.99Å; Q376-L378 HydrophobicContact CB-CG 3.96Å; Q376-A477 PolarHBondContact NE2-O 2.98Å; Q376-A477 PolarHBondContact OE1-O 3.02Å
377	N	97.4	Very high	97	Very high	46 Å²	46	36.7 Å²	36.7	25%	0.246	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	103.1	172.6	-57.2	-68.4	0	0	0	107.9	R337 Y379 Q478	R337-N377 WeakPolarHBondContact CD-OD1 3.16Å; R337-N377 WeakPolarHBondContact CG-OD1 3.39Å; R337-N377 PolarHBondContact NE-OD1 3.18Å; N377-Y379 HydrophobicContact CB-CE2 4.11Å; N377-Q478 PolarHBondContact O-NE2 2.8Å; N377-Q478 PolarHBondContact O-OE1 2.87Å
378	L	98.1	Very high	97	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.2	-165.5	-54.5	171.9	0	0	0	109.9	H335 I336 L338 Y350 I352 I365 H367 Q376	H335-L378 CarbonylContact C-O 3.55Å; H335-L378 WeakPolarHBondContact CA-O 3.28Å; H335-L378 PolarHBondContact CD2-O 2.95Å; I336-L378 HydrophobicContact CB-CB 4.43Å; I336-L378 HydrophobicContact CG2-CD1 4.36Å; I336-L378 PolarHBondContact N-O 2.68Å; I336-L378 WeakPolarHBondContact O-CB 3.43Å; I336-L378 PolarHBondContact O-N 2.74Å; L338-L378 HydrophobicContact CD2-CD1 3.73Å; L338-L378 HydrophobicContact CG-CD1 4.23Å; Y350-L378 HydrophobicContact CE2-CD1 4.03Å; Y350-L378 WeakPolarHBondContact OH-CD1 3.18Å; I352-L378 HydrophobicContact CD1-CD1 3.5Å; I352-L378 VanDerWaalsContact CD1-CD1 3.5Å; I365-L378 HydrophobicContact CD1-CB 3.88Å; I365-L378 HydrophobicContact CG1-CB 4.08Å; I365-L378 HydrophobicContact CG1-CD1 4.29Å; I365-L378 HydrophobicContact CG2-CD1 4.3Å; I365-L378 HydrophobicContact CG2-CD2 4.32Å; H367-L378 VanDerWaalsContact CE1-CD2 3.46Å; H367-L378 WeakPolarHBondContact CE1-CD2 3.16Å; Q376-L378 HydrophobicContact CB-CD1 4.23Å; Q376-L378 HydrophobicContact CB-CD2 3.99Å; Q376-L378 HydrophobicContact CB-CG 3.96Å
379	Y	98	Very high	97.1	Very high	44 Å²	44	36.6 Å²	36.6	17%	0.173	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	145.9	-177.9	-52.6	-93.5	0	0	0	110.2	N334 H335 N377 T411 Y415 L417 V422	N334-Y379 WeakPolarHBondContact O-CA 3.46Å; H335-Y379 HydrophobicContact CB-CD1 4.16Å; H335-Y379 HydrophobicContact CB-CE1 4.35Å; H335-Y379 AromaticContact CD2-CD1 3.5Å; H335-Y379 AromaticContact CD2-CE1 3.18Å; H335-Y379 WeakPolarHBondContact CD2-CE1 3.45Å; H335-Y379 AromaticContact CD2-CZ 3.58Å; H335-Y379 AromaticContact CG-CD1 4Å; H335-Y379 AromaticContact CG-CE1 3.76Å; H335-Y379 AromaticContact NE2-CE1 3.54Å; H335-Y379 AromaticContact NE2-CZ 3.52Å; H335-Y379 PolarHBondContact NE2-OH 2.91Å; N377-Y379 HydrophobicContact CB-CE2 4.11Å; Y379-T411 HydrophobicContact CD1-CG2 4.01Å; Y379-T411 HydrophobicContact CE1-CG2 3.94Å; Y379-Y415 AromaticContact CD1-CD1 3.43Å; Y379-Y415 HydrophobicContact CD1-CD1 3.43Å; Y379-Y415 VanDerWaalsContact CD1-CD1 3.43Å; Y379-Y415 AromaticContact CD1-CE1 3.83Å; Y379-Y415 HydrophobicContact CD1-CE1 3.83Å; Y379-Y415 AromaticContact CD1-CG 3.83Å; Y379-Y415 HydrophobicContact CD1-CG 3.83Å; Y379-Y415 HydrophobicContact CE1-CD1 4.16Å; Y379-Y415 AromaticContact CG-CD1 3.88Å; Y379-Y415 HydrophobicContact CG-CD1 3.88Å; Y379-Y415 HydrophobicContact CG-CD2 4.17Å; Y379-Y415 HydrophobicContact CG-CE1 4.3Å; Y379-Y415 AromaticContact CG-CG 3.81Å; Y379-Y415 HydrophobicContact CG-CG 3.81Å; Y379-L417 WeakPolarHBondContact O-CD1 3.35Å; Y379-V422 HydrophobicContact CD2-CG2 3.65Å; Y379-V422 HydrophobicContact CE2-CG2 4.21Å
380	F	97.6	Very high	97.3	Very high	8 Å²	8	28.7 Å²	28.7	4%	0.035	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	164.7	179.9	53.8	-86.8	0	0	0	109.6	I333 N334 I336 V364 I365 Y415	I333-F380 HydrophobicContact CB-CZ 4.48Å; I333-F380 HydrophobicContact CD1-CE2 4.32Å; I333-F380 HydrophobicContact CD1-CZ 3.8Å; I333-F380 HydrophobicContact CG1-CE2 4.05Å; I333-F380 HydrophobicContact CG1-CZ 3.87Å; I333-F380 WeakPolarHBondContact O-CE2 3.42Å; N334-F380 VanDerWaalsContact CB-O 3.29Å; N334-F380 WeakPolarHBondContact CB-O 3.45Å; N334-F380 PolarHBondContact O-N 2.95Å; N334-F380 VanDerWaalsContact O-N 3.07Å; I336-F380 HydrophobicContact CB-CE1 4.4Å; I336-F380 HydrophobicContact CD1-CE1 3.73Å; I336-F380 HydrophobicContact CD1-CZ 4.01Å; I336-F380 HydrophobicContact CG1-CE1 3.83Å; I336-F380 HydrophobicContact CG1-CZ 4.22Å; V364-F380 HydrophobicContact CB-CB 4.21Å; V364-F380 HydrophobicContact CB-CD1 4.25Å; V364-F380 HydrophobicContact CB-CD2 3.88Å; V364-F380 HydrophobicContact CB-CE2 4.34Å; V364-F380 HydrophobicContact CB-CG 3.84Å; V364-F380 HydrophobicContact CG1-CD2 3.9Å; V364-F380 HydrophobicContact CG1-CE2 4.21Å; V364-F380 HydrophobicContact CG1-CG 4.37Å; V364-F380 HydrophobicContact CG2-CD1 4.36Å; V364-F380 HydrophobicContact CG2-CE1 4.42Å; V364-F380 HydrophobicContact CG2-CG 4.42Å; I365-F380 HydrophobicContact CD1-CB 4.48Å; I365-F380 HydrophobicContact CD1-CD1 4.24Å; I365-F380 HydrophobicContact CG1-CD1 4.41Å; F380-Y415 PolarHBondContact O-OH 2.76Å
381	T	95.2	Very high	97.3	Very high	105 Å²	105	26.8 Å²	26.8	64%	0.644	13%	0.13	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-54.7	133.7	179.7	-52.3	0	0	0	0	111.4	R383	T381-R383 PolarHBondContact O-N 3.19Å
382	P	96.5	Very high	97.3	Very high	63 Å²	63	26 Å²	26	41%	0.409	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.1	129.8	178.3	-29.6	35.5	0	0	0	113.5	I332 I333 N334 F410	I332-P382 HydrophobicContact CG2-CB 4.39Å; I333-P382 WeakPolarHBondContact O-CA 3.38Å; N334-P382 HydrophobicContact CB-CB 4.23Å; N334-P382 HydrophobicContact CB-CG 3.87Å; P382-F410 HydrophobicContact CB-CE2 3.99Å; P382-F410 HydrophobicContact CG-CE2 4.04Å
383	R	95.6	Very high	97.1	Very high	74 Å²	74	28.3 Å²	28.3	28%	0.279	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	153.6	175.5	-64.9	-174.3	78.8	141.8	1.6	111.1	M264 D265 I332 I333 T381	M264-R383 PolarHBondContact O-NH2 2.93Å; D265-R383 IonicContact OD1-NH2 2.76Å; I332-R383 WeakPolarHBondContact CA-O 3.4Å; I333-R383 PolarHBondContact N-O 3.18Å; I333-R383 PolarHBondContact O-N 2.86Å; T381-R383 PolarHBondContact O-N 3.19Å
384	V	97.1	Very high	97.1	Very high	18 Å²	18	31 Å²	31	11%	0.109	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	131.2	170.5	-168.4	0	0	0	0	109.3	Y268 P330 S331 I332 M356	Y268-V384 WeakPolarHBondContact O-CG2 3.34Å; P330-V384 HydrophobicContact CB-CG1 4.05Å; S331-V384 WeakPolarHBondContact O-CA 3.48Å; I332-V384 HydrophobicContact CG1-CG2 3.95Å; M356-V384 HydrophobicContact SD-CG1 3.97Å
385	C	97.3	Very high	97.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	164	170.1	74.2	0	0	0	0	112.1	P330 S331 I333 V354 M356	P330-C385 WeakPolarHBondContact CA-O 3.37Å; S331-C385 PolarHBondContact N-O 3.49Å; S331-C385 PolarHBondContact O-N 2.82Å; I333-C385 WeakPolarHBondContact CD1-SG 3.38Å; V354-C385 HydrophobicContact CB-CB 3.73Å; V354-C385 HydrophobicContact CG1-CB 4.43Å; V354-C385 HydrophobicContact CG2-CB 4.22Å; M356-C385 VanDerWaalsContact SD-CA 3.55Å
386	R	97.4	Very high	97	Very high	41 Å²	41	32.5 Å²	32.5	16%	0.155	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-31.2	175.2	-172.2	80.7	-175.3	102.6	4.5	111.5	L327 G328 Q329 S355 M356	L327-R386 PolarHBondContact N-O 2.89Å; L327-R386 PolarHBondContact O-NH1 2.88Å; L327-R386 PolarHBondContact O-NH2 2.91Å; L327-R386 VanDerWaalsContact O-NH2 3.15Å; G328-R386 VanDerWaalsContact C-CZ 3.41Å; G328-R386 VanDerWaalsContact O-CZ 3.24Å; G328-R386 PolarHBondContact O-NH1 2.81Å; G328-R386 PolarHBondContact O-NH2 2.89Å; Q329-R386 PolarHBondContact O-NH1 2.78Å; S355-R386 PolarHBondContact O-N 3.09Å; M356-R386 HydrophobicContact SD-CB 4.18Å
387	Y	98.1	Very high	96.8	Very high	26 Å²	26	36.5 Å²	36.5	10%	0.102	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.8	-174	-60.1	-85.5	0	0	0	110.2	V325 K326 V354 S355 M356 E358	V325-Y387 CarbonylContact O-C 3.58Å; V325-Y387 WeakPolarHBondContact O-CA 3.19Å; K326-Y387 HydrophobicContact CB-CD1 3.76Å; K326-Y387 HydrophobicContact CB-CE1 3.69Å; K326-Y387 HydrophobicContact CD-CE1 3.67Å; K326-Y387 HydrophobicContact CG-CD1 3.87Å; K326-Y387 HydrophobicContact CG-CE1 3.43Å; K326-Y387 VanDerWaalsContact CG-CE1 3.43Å; V354-Y387 CarbonylContact C-O 3.57Å; V354-Y387 VanDerWaalsContact CA-O 3.29Å; V354-Y387 WeakPolarHBondContact CA-O 3.23Å; S355-Y387 PolarHBondContact N-O 2.86Å; S355-Y387 PolarHBondContact O-N 2.86Å; M356-Y387 WeakPolarHBondContact O-CE2 3.35Å; E358-Y387 HydrophobicContact CG-CD1 3.61Å; E358-Y387 HydrophobicContact CG-CD2 3.62Å; E358-Y387 HydrophobicContact CG-CE1 3.49Å; E358-Y387 VanDerWaalsContact CG-CE1 3.49Å; E358-Y387 HydrophobicContact CG-CE2 3.57Å; E358-Y387 HydrophobicContact CG-CG 3.64Å; E358-Y387 VanDerWaalsContact CG-CZ 3.47Å; E358-Y387 WeakPolarHBondContact OE2-CE1 3.33Å; E358-Y387 PolarHBondContact OE2-OH 2.88Å
388	V	98.2	Very high	96.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.4	172.6	-172.9	0	0	0	0	108.1	Q324 V325 I333 I336 I352 E353 V354 I390 F406	Q324-V388 CarbonylContact C-O 3.56Å; Q324-V388 WeakPolarHBondContact CA-O 3.48Å; V325-V388 PolarHBondContact N-O 2.85Å; V325-V388 PolarHBondContact O-N 2.98Å; I333-V388 HydrophobicContact CD1-CG2 4.39Å; I336-V388 HydrophobicContact CD1-CG1 4.16Å; I352-V388 HydrophobicContact CG2-CG1 3.59Å; E353-V388 CarbonylContact O-C 3.56Å; E353-V388 WeakPolarHBondContact O-CA 3.32Å; V354-V388 HydrophobicContact CG1-CG1 4.49Å; V354-V388 HydrophobicContact CG1-CG2 4.33Å; V388-I390 HydrophobicContact CG1-CD1 4.21Å; V388-F406 HydrophobicContact CB-CZ 4.01Å; V388-F406 HydrophobicContact CG1-CE2 4.11Å; V388-F406 HydrophobicContact CG1-CZ 3.77Å; V388-F406 HydrophobicContact CG2-CZ 4.22Å
389	R	97.1	Very high	96.5	Very high	39 Å²	39	44.7 Å²	44.7	15%	0.147	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.4	176.9	-178.6	-168.3	-68.3	166.4	-7.4	109.2	I323 I352 E353 W361 V391	I323-R389 CarbonylContact O-C 3.55Å; I323-R389 WeakPolarHBondContact O-CA 3.34Å; I352-R389 WeakPolarHBondContact CA-O 3.27Å; E353-R389 PolarHBondContact N-O 3.47Å; E353-R389 PolarHBondContact O-N 2.83Å; E353-R389 IonicContact OE2-NH1 3.46Å; E353-R389 PolarHBondContact OE2-NH1 2.91Å; W361-R389 HydrophobicContact CE3-CB 3.93Å; W361-R389 HydrophobicContact CH2-CB 3.76Å; W361-R389 HydrophobicContact CZ3-CB 3.37Å; R389-V391 HydrophobicContact CG-CG2 3.72Å
390	I	97.7	Very high	96.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.8	175.5	-54.1	90.5	0	0	0	107.8	G322 I323 I352 V388 F401 L403 F406	G322-I390 WeakPolarHBondContact CA-O 3.48Å; I323-I390 PolarHBondContact N-O 3.21Å; I323-I390 PolarHBondContact O-N 2.83Å; I352-I390 HydrophobicContact CG1-CG1 4.4Å; V388-I390 HydrophobicContact CG1-CD1 4.21Å; I390-F401 HydrophobicContact CG2-CE1 3.77Å; I390-F401 HydrophobicContact CG2-CZ 4.01Å; I390-L403 HydrophobicContact CD1-CD2 4.49Å; I390-L403 HydrophobicContact CG1-CD2 4.48Å; I390-F406 HydrophobicContact CD1-CD2 4.01Å; I390-F406 HydrophobicContact CD1-CE2 3.88Å; I390-F406 HydrophobicContact CD1-CZ 4.44Å; I390-F406 HydrophobicContact CG1-CD2 4.44Å; I390-F406 HydrophobicContact CG1-CE2 4.32Å
391	V	97	Very high	96.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.1	-178.1	-177.6	0	0	0	0	109.5	S321 Y350 Y351 R389	S321-V391 WeakPolarHBondContact O-CG1 3.24Å; Y350-V391 CarbonylContact C-O 3.59Å; Y350-V391 WeakPolarHBondContact CA-O 3.36Å; Y350-V391 WeakPolarHBondContact CB-O 3.46Å; Y351-V391 HydrophobicContact CD1-CB 4.2Å; Y351-V391 HydrophobicContact CD1-CG1 4.45Å; Y351-V391 HydrophobicContact CD2-CB 4.13Å; Y351-V391 HydrophobicContact CD2-CG2 4.36Å; Y351-V391 HydrophobicContact CE1-CB 3.71Å; Y351-V391 HydrophobicContact CE1-CG1 3.64Å; Y351-V391 HydrophobicContact CE1-CG2 4.46Å; Y351-V391 HydrophobicContact CE2-CB 3.62Å; Y351-V391 HydrophobicContact CE2-CG1 4.3Å; Y351-V391 HydrophobicContact CE2-CG2 3.59Å; Y351-V391 HydrophobicContact CG-CB 4.4Å; Y351-V391 VanDerWaalsContact CZ-CB 3.4Å; Y351-V391 PolarHBondContact N-O 2.86Å; Y351-V391 PolarHBondContact O-N 3.14Å; Y351-V391 WeakPolarHBondContact OH-CG1 3.42Å; R389-V391 HydrophobicContact CG-CG2 3.72Å
392	G	96.8	Very high	96.3	Very high	2 Å²	2	40 Å²	40	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	132.8	172.3	0	0	0	0	0	109.9	H313	H313-G392 PolarHBondContact CE1-N 2.88Å; H313-G392 VanDerWaalsContact CE1-N 3.3Å; H313-G392 PolarHBondContact NE2-N 2.72Å
393	T	95.8	Very high	96.3	Very high	48 Å²	48	37 Å²	37	29%	0.294	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-23.1	-176.6	54.3	0	0	0	0	112.6	I315 S349 Y351 S368	I315-T393 WeakPolarHBondContact CG2-O 3.34Å; S349-T393 PolarHBondContact O-N 3.15Å; S349-T393 PolarHBondContact O-OG1 3.24Å; Y351-T393 HydrophobicContact CD1-CG2 3.63Å; Y351-T393 HydrophobicContact CE1-CG2 3.65Å; S368-T393 WeakPolarHBondContact OG-CG2 3.41Å; S368-T393 PolarHBondContact OG-OG1 2.84Å
394	H	95.8	Very high	96.4	Very high	89 Å²	89	33.4 Å²	33.4	41%	0.412	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	147.8	175.4	-169.1	72.4	0	0	0	110.9	Y348 S349	Y348-H394 VanDerWaalsContact CA-O 3.3Å; Y348-H394 WeakPolarHBondContact CA-O 3.26Å; S349-H394 PolarHBondContact N-O 3.19Å; S349-H394 PolarHBondContact O-N 2.61Å; S349-H394 VanDerWaalsContact O-N 3.16Å
395	N	95.7	Very high	96.4	Very high	10 Å²	10	32.9 Å²	32.9	5%	0.053	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	130.5	165.9	166.9	-7.7	0	0	0	107.3	I315 S347 Y348 V397 N398 V400	I315-N395 HydrophobicContact CD1-CB 3.74Å; S347-N395 WeakPolarHBondContact O-CA 3.49Å; Y348-N395 HydrophobicContact CD1-CB 3.7Å; Y348-N395 HydrophobicContact CE1-CB 3.72Å; Y348-N395 VanDerWaalsContact CE1-ND2 3.27Å; Y348-N395 WeakPolarHBondContact CE1-ND2 3.43Å; N395-V397 PolarHBondContact O-N 2.98Å; N395-V397 PolarHBondContact OD1-N 2.82Å; N395-N398 WeakPolarHBondContact CB-O 3.15Å; N395-N398 PolarHBondContact ND2-OD1 2.8Å; N395-V400 PolarHBondContact ND2-O 2.99Å
396	T	95.9	Very high	96.4	Very high	65 Å²	65	33 Å²	33	40%	0.399	17%	0.167	S	C	.	.	S	Bend	trans	-70.4	-10.2	-174.1	59.1	0	0	0	0	114.6	R346 S347 L371	R346-T396 WeakPolarHBondContact CA-OG1 3.28Å; S347-T396 PolarHBondContact N-OG1 2.99Å; S347-T396 PolarHBondContact O-N 2.95Å; S347-T396 VanDerWaalsContact O-N 3.11Å; L371-T396 HydrophobicContact CD1-CG2 4.4Å; L371-T396 HydrophobicContact CD2-CG2 3.84Å
397	V	95.4	Very high	96.4	Very high	85 Å²	85	32.9 Å²	32.9	52%	0.515	17%	0.169	S	C	.	.	S	Bend	trans	-111.8	-41.1	-176.7	174.8	0	0	0	0	112.8	R346 N395	R346-V397 HydrophobicContact CB-CB 4.26Å; R346-V397 HydrophobicContact CB-CG2 3.49Å; R346-V397 VanDerWaalsContact CB-CG2 3.49Å; N395-V397 PolarHBondContact O-N 2.98Å; N395-V397 PolarHBondContact OD1-N 2.82Å
398	N	93.7	Very high	96.4	Very high	63 Å²	63	31.7 Å²	31.7	34%	0.337	16%	0.164	S	C	.	.	S	Bend	trans	-154.1	-177	-177.1	63.3	43.8	0	0	0	111.7	N395 V400	N395-N398 WeakPolarHBondContact CB-O 3.15Å; N395-N398 PolarHBondContact ND2-OD1 2.8Å; N398-V400 VanDerWaalsContact C-N 3.34Å; N398-V400 PolarHBondContact O-N 2.8Å; N398-V400 WeakPolarHBondContact OD1-CB 3.22Å; N398-V400 PolarHBondContact OD1-N 2.83Å; N398-V400 PolarHBondContact OD1-O 2.9Å
399	K	93.9	Very high	96.3	Very high	157 Å²	157	32.5 Å²	32.5	68%	0.683	17%	0.168	S	C	*	.	S	Bend	trans	-93.6	34	-179.2	-63.2	-167.7	175.3	-168.6	0	113.9	I315	I315-K399 PolarHBondContact N-O 3.06Å
400	V	94.6	Very high	96.4	Very high	42 Å²	42	31.9 Å²	31.9	26%	0.255	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	129.9	-179.2	180	0	0	0	0	110	R312 N395 N398 H402	R312-V400 HydrophobicContact CB-CG1 3.94Å; R312-V400 HydrophobicContact CG-CG1 4.32Å; N395-V400 PolarHBondContact ND2-O 2.99Å; N398-V400 VanDerWaalsContact C-N 3.34Å; N398-V400 PolarHBondContact O-N 2.8Å; N398-V400 WeakPolarHBondContact OD1-CB 3.22Å; N398-V400 PolarHBondContact OD1-N 2.83Å; N398-V400 PolarHBondContact OD1-O 2.9Å; V400-H402 VanDerWaalsContact CG1-CE1 3.43Å; V400-H402 WeakPolarHBondContact CG1-CE1 3.47Å; V400-H402 PolarHBondContact O-CE1 3.41Å; V400-H402 PolarHBondContact O-ND1 2.84Å; V400-H402 VanDerWaalsContact O-ND1 3.15Å
401	F	96.2	Very high	96.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.9	174.1	-175.3	-97	0	0	0	110	R312 H313 I315 I323 L340 Y348 Y350 I390 L403	R312-F401 WeakPolarHBondContact CA-O 3.41Å; R312-F401 WeakPolarHBondContact CB-O 3.32Å; H313-F401 AromaticContact CD2-CD1 3.74Å; H313-F401 PolarHBondContact N-O 2.82Å; H313-F401 VanDerWaalsContact N-O 3.14Å; H313-F401 WeakPolarHBondContact NE2-CB 3.43Å; H313-F401 AromaticContact NE2-CD1 3.6Å; H313-F401 AromaticContact NE2-CG 3.7Å; H313-F401 PolarHBondContact O-N 2.9Å; I315-F401 HydrophobicContact CD1-CB 4.33Å; I315-F401 HydrophobicContact CG1-CB 4.07Å; I323-F401 HydrophobicContact CD1-CD1 4.35Å; L340-F401 HydrophobicContact CD2-CE2 3.93Å; L340-F401 HydrophobicContact CD2-CZ 3.6Å; Y348-F401 AromaticContact CD1-CD2 3.6Å; Y348-F401 HydrophobicContact CD1-CD2 3.6Å; Y348-F401 HydrophobicContact CD1-CE2 4.01Å; Y348-F401 HydrophobicContact CD1-CG 4.45Å; Y348-F401 HydrophobicContact CE1-CD2 4.29Å; Y348-F401 HydrophobicContact CG-CD2 4.17Å; Y348-F401 HydrophobicContact CG-CE2 4.1Å; Y350-F401 HydrophobicContact CD1-CE2 4.25Å; Y350-F401 HydrophobicContact CD1-CZ 4.42Å; Y350-F401 HydrophobicContact CG-CE2 4.22Å; Y350-F401 HydrophobicContact CG-CZ 4.21Å; I390-F401 HydrophobicContact CG2-CE1 3.77Å; I390-F401 HydrophobicContact CG2-CZ 4.01Å; F401-L403 HydrophobicContact CE1-CB 4.05Å
402	H	96	Very high	96.2	Very high	16 Å²	16	37.7 Å²	37.7	7%	0.074	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.2	-178.5	-53.2	74.3	0	0	0	109.9	F310 W341 Y348 V400	F310-H402 HydrophobicContact CD2-CB 4.28Å; F310-H402 AromaticContact CD2-CD2 3.79Å; F310-H402 AromaticContact CE2-CD2 3.45Å; F310-H402 VanDerWaalsContact CE2-CD2 3.45Å; F310-H402 WeakPolarHBondContact CE2-CD2 3.4Å; F310-H402 AromaticContact CZ-CD2 3.95Å; W341-H402 HydrophobicContact CB-CB 4.01Å; Y348-H402 AromaticContact CZ-ND1 3.96Å; Y348-H402 WeakPolarHBondContact OH-CB 3.41Å; Y348-H402 PolarHBondContact OH-ND1 3.3Å; V400-H402 VanDerWaalsContact CG1-CE1 3.43Å; V400-H402 WeakPolarHBondContact CG1-CE1 3.47Å; V400-H402 PolarHBondContact O-CE1 3.41Å; V400-H402 PolarHBondContact O-ND1 2.84Å; V400-H402 VanDerWaalsContact O-ND1 3.15Å
403	L	97.1	Very high	96.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	115.1	-178.6	-178	65.2	0	0	0	109.4	L296 F310 S311 I323 L338 L340 I390 F401 F406	L296-L403 HydrophobicContact CD1-CB 4.27Å; L296-L403 HydrophobicContact CD1-CD2 3.55Å; L296-L403 HydrophobicContact CD1-CG 3.53Å; L296-L403 HydrophobicContact CD2-CD2 4.14Å; L296-L403 HydrophobicContact CG-CD2 4.49Å; F310-L403 CarbonylContact C-O 3.58Å; F310-L403 WeakPolarHBondContact CA-O 3.42Å; F310-L403 WeakPolarHBondContact CB-O 3.47Å; S311-L403 PolarHBondContact N-O 3.1Å; S311-L403 PolarHBondContact O-N 3.38Å; I323-L403 HydrophobicContact CD1-CB 3.7Å; I323-L403 HydrophobicContact CD1-CD2 4.01Å; I323-L403 HydrophobicContact CD1-CG 4.49Å; L338-L403 HydrophobicContact CB-CD1 3.83Å; L338-L403 HydrophobicContact CD1-CD1 3.96Å; L338-L403 HydrophobicContact CG-CD1 4.39Å; L340-L403 HydrophobicContact CD2-CD1 4.43Å; I390-L403 HydrophobicContact CD1-CD2 4.49Å; I390-L403 HydrophobicContact CG1-CD2 4.48Å; F401-L403 HydrophobicContact CE1-CB 4.05Å; L403-F406 HydrophobicContact CD2-CB 4.4Å
404	V	97.1	Very high	96.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-54.2	-174.6	178.1	0	0	0	0	109.9	Y304 G309 F310 L339	Y304-V404 HydrophobicContact CD1-CG1 3.56Å; Y304-V404 HydrophobicContact CD2-CG1 4.19Å; Y304-V404 HydrophobicContact CD2-CG2 3.7Å; Y304-V404 HydrophobicContact CE1-CG1 3.9Å; Y304-V404 HydrophobicContact CE2-CG1 4.44Å; Y304-V404 HydrophobicContact CE2-CG2 3.77Å; Y304-V404 HydrophobicContact CG-CG1 3.74Å; Y304-V404 HydrophobicContact CG-CG2 4.11Å; G309-V404 WeakPolarHBondContact O-CG1 3.15Å; F310-V404 HydrophobicContact CB-CG2 4.2Å; L339-V404 HydrophobicContact CB-CB 4.09Å; L339-V404 HydrophobicContact CD2-CB 3.91Å; L339-V404 HydrophobicContact CD2-CG1 3.63Å; L339-V404 HydrophobicContact CG-CB 3.79Å; L339-V404 HydrophobicContact CG-CG1 4.11Å; L339-V404 HydrophobicContact CG-CG2 4.28Å; L339-V404 WeakPolarHBondContact O-CB 3.41Å; L339-V404 PolarHBondContact O-N 2.9Å
405	A	97.1	Very high	96	Very high	6 Å²	6	48.3 Å²	48.3	5%	0.05	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	150.8	-177.1	0	0	0	0	0	111.6	T301 L338 L339 W375	T301-A405 HydrophobicContact CG2-CB 3.85Å; L338-A405 WeakPolarHBondContact CA-O 3.47Å; L339-A405 HydrophobicContact CB-CB 3.94Å; L339-A405 PolarHBondContact N-O 3.38Å; W375-A405 HydrophobicContact CH2-CB 4.03Å
406	F	97.8	Very high	96.1	Very high	3 Å²	3	52.1 Å²	52.1	1%	0.013	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	129.1	175.3	174.2	-100.3	0	0	0	110.6	A279 L296 L297 V325 I336 V388 I390 L403 C408	A279-F406 HydrophobicContact CB-CD1 3.68Å; A279-F406 HydrophobicContact CB-CE1 3.62Å; L296-F406 HydrophobicContact CD1-CB 3.72Å; L296-F406 HydrophobicContact CD2-CB 4.11Å; L296-F406 HydrophobicContact CG-CB 3.79Å; L296-F406 PolarHBondContact O-N 2.94Å; L297-F406 HydrophobicContact CD2-CB 4.36Å; L297-F406 HydrophobicContact CD2-CD1 4.02Å; V325-F406 HydrophobicContact CB-CD1 4.43Å; V325-F406 HydrophobicContact CB-CE1 4.08Å; V325-F406 HydrophobicContact CG1-CD1 4.33Å; V325-F406 HydrophobicContact CG1-CE1 4.04Å; V325-F406 HydrophobicContact CG2-CD1 3.9Å; V325-F406 HydrophobicContact CG2-CE1 4.01Å; I336-F406 HydrophobicContact CD1-CE2 4.49Å; I336-F406 HydrophobicContact CG2-CD2 4.16Å; I336-F406 HydrophobicContact CG2-CE2 3.6Å; I336-F406 HydrophobicContact CG2-CZ 4.45Å; V388-F406 HydrophobicContact CB-CZ 4.01Å; V388-F406 HydrophobicContact CG1-CE2 4.11Å; V388-F406 HydrophobicContact CG1-CZ 3.77Å; V388-F406 HydrophobicContact CG2-CZ 4.22Å; I390-F406 HydrophobicContact CD1-CD2 4.01Å; I390-F406 HydrophobicContact CD1-CE2 3.88Å; I390-F406 HydrophobicContact CD1-CZ 4.44Å; I390-F406 HydrophobicContact CG1-CD2 4.44Å; I390-F406 HydrophobicContact CG1-CE2 4.32Å; L403-F406 HydrophobicContact CD2-CB 4.4Å; F406-C408 HydrophobicContact CE1-CB 3.85Å; F406-C408 HydrophobicContact CZ-CB 3.92Å
407	E	98	Very high	96.1	Very high	39 Å²	39	51.9 Å²	51.9	18%	0.182	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.6	175.3	-47.8	-178.1	161	0	0	109.3	N277 I336 R337 M409	N277-E407 HydrophobicContact CB-CB 4.45Å; N277-E407 WeakPolarHBondContact OD1-CA 3.46Å; I336-E407 WeakPolarHBondContact CA-O 3.38Å; R337-E407 HydrophobicContact CB-CB 4.09Å; R337-E407 HydrophobicContact CB-CG 4.4Å; R337-E407 WeakPolarHBondContact CD-OE2 3.34Å; R337-E407 IonicContact CZ-OE2 2.66Å; R337-E407 PolarHBondContact N-O 2.79Å; R337-E407 IonicContact NE-OE2 3.62Å; R337-E407 IonicContact NH1-OE1 2.82Å; R337-E407 IonicContact NH1-OE2 3.93Å; R337-E407 PolarHBondContact NH1-OE2 3.01Å; R337-E407 PolarHBondContact O-N 3.32Å; E407-M409 HydrophobicContact CB-CE 4.11Å
408	C	97.3	Very high	96.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	128.7	-179.9	-169.3	0	0	0	0	108.4	N277 I278 A279 L327 I333 F406	N277-C408 PolarHBondContact OD1-N 3.03Å; N277-C408 PolarHBondContact OD1-O 3.4Å; I278-C408 HydrophobicContact CG1-CB 4.38Å; I278-C408 WeakPolarHBondContact CG1-O 3.08Å; I278-C408 PolarHBondContact N-O 3.48Å; A279-C408 HydrophobicContact CB-CB 3.69Å; L327-C408 HydrophobicContact CD2-CB 4.44Å; I333-C408 WeakPolarHBondContact CD1-SG 3.07Å; F406-C408 HydrophobicContact CE1-CB 3.85Å; F406-C408 HydrophobicContact CZ-CB 3.92Å
409	M	97.3	Very high	96.1	Very high	18 Å²	18	55.4 Å²	55.4	9%	0.089	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	174.4	-174.9	58.4	-168.4	55	0	0	112.3	E276 N277 N334 H335 E407	E276-M409 WeakPolarHBondContact O-CB 3.34Å; N277-M409 HydrophobicContact CB-CE 3.79Å; N334-M409 PolarHBondContact N-O 2.9Å; H335-M409 HydrophobicContact CB-CG 4.02Å; H335-M409 PolarHBondContact N-O 3.17Å; H335-M409 VanDerWaalsContact N-O 3.14Å; H335-M409 WeakPolarHBondContact ND1-CG 3.28Å; H335-M409 PolarHBondContact ND1-SD 2.96Å; H335-M409 VanDerWaalsContact ND1-SD 3.35Å; H335-M409 PolarHBondContact O-N 3.4Å; E407-M409 HydrophobicContact CB-CE 4.11Å
410	F	97.6	Very high	96.1	Very high	26 Å²	26	50.1 Å²	50.1	11%	0.114	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-107.5	138.1	165	-172.5	-87.5	0	0	0	109.4	L272 P274 E275 I332 N334 P382 N412	L272-F410 HydrophobicContact CD1-CB 3.62Å; L272-F410 HydrophobicContact CD1-CD1 3.55Å; L272-F410 HydrophobicContact CD1-CD2 3.49Å; L272-F410 VanDerWaalsContact CD1-CD2 3.49Å; L272-F410 HydrophobicContact CD1-CE1 3.99Å; L272-F410 HydrophobicContact CD1-CE2 3.94Å; L272-F410 HydrophobicContact CD1-CG 3.26Å; L272-F410 HydrophobicContact CD1-CZ 4.17Å; P274-F410 CarbonylContact C-O 3.58Å; P274-F410 WeakPolarHBondContact CA-O 3.3Å; P274-F410 HydrophobicContact CB-CD1 4.34Å; P274-F410 HydrophobicContact CG-CD1 4.41Å; E275-F410 PolarHBondContact N-O 3.35Å; I332-F410 HydrophobicContact CG2-CD2 3.81Å; I332-F410 HydrophobicContact CG2-CE2 3.83Å; N334-F410 HydrophobicContact CB-CD2 4.27Å; N334-F410 HydrophobicContact CB-CE2 4.4Å; N334-F410 VanDerWaalsContact OD1-CA 3.31Å; N334-F410 WeakPolarHBondContact OD1-CA 3.47Å; P382-F410 HydrophobicContact CB-CE2 3.99Å; P382-F410 HydrophobicContact CG-CE2 4.04Å; F410-N412 WeakPolarHBondContact CE1-OD1 3.44Å
411	T	97.1	Very high	96.2	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.025	26%	0.259	C	S	.	.			trans	-122.8	139.4	173.7	-169.3	0	0	0	0	112.2	E275 N334 H335 Y379 R413 Y415	E275-T411 WeakPolarHBondContact OE1-CA 3.21Å; E275-T411 VanDerWaalsContact OE1-CB 3.29Å; E275-T411 WeakPolarHBondContact OE1-CB 3.36Å; E275-T411 PolarHBondContact OE1-OG1 3.28Å; N334-T411 PolarHBondContact ND2-O 3.23Å; N334-T411 PolarHBondContact OD1-N 2.95Å; H335-T411 HydrophobicContact CB-CG2 3.8Å; Y379-T411 HydrophobicContact CD1-CG2 4.01Å; Y379-T411 HydrophobicContact CE1-CG2 3.94Å; T411-R413 VanDerWaalsContact C-N 3.35Å; T411-R413 WeakPolarHBondContact OG1-CB 3.36Å; T411-R413 WeakPolarHBondContact OG1-CG 3.29Å; T411-R413 PolarHBondContact OG1-N 2.81Å; T411-R413 VanDerWaalsContact OG1-N 3.09Å; T411-Y415 HydrophobicContact CG2-CD1 4.35Å; T411-Y415 HydrophobicContact CG2-CE1 4.2Å
412	N	95.2	Very high	96.3	Very high	119 Å²	119	49.4 Å²	49.4	64%	0.636	27%	0.265	S	S	*	.			trans	-90.8	-4.8	168.9	-73.7	-43.9	0	0	0	112	E275 F410	E275-N412 PolarHBondContact OE1-N 3.44Å; E275-N412 VanDerWaalsContact OE1-N 3.09Å; F410-N412 WeakPolarHBondContact CE1-OD1 3.44Å
413	R	94.2	Very high	96.4	Very high	163 Å²	163	50.4 Å²	50.4	62%	0.615	27%	0.272	S	S	*	.	S	Bend	trans	-65.8	131.5	179	-62.3	178.7	-168.2	-144.4	-0.9	108.8	E275 T411 Y415	E275-R413 IonicContact OE2-CZ 3.54Å; E275-R413 IonicContact OE2-NE 2.67Å; E275-R413 PolarHBondContact OE2-NE 2.91Å; E275-R413 IonicContact OE2-NH2 3.13Å; T411-R413 VanDerWaalsContact C-N 3.35Å; T411-R413 WeakPolarHBondContact OG1-CB 3.36Å; T411-R413 WeakPolarHBondContact OG1-CG 3.29Å; T411-R413 PolarHBondContact OG1-N 2.81Å; T411-R413 VanDerWaalsContact OG1-N 3.09Å; R413-Y415 WeakPolarHBondContact O-CD1 3.46Å
414	P	94.4	Very high	96.3	Very high	134 Å²	134	51.2 Å²	51.2	87%	0.87	28%	0.277	S	S	*	.			trans	-66.1	138.8	178.5	28.1	-33.9	0	0	0	109.9
415	Y	95.2	Very high	96.1	Very high	64 Å²	64	56 Å²	56	25%	0.251	31%	0.311	S	S	.	.			trans	-140.9	152.2	172.1	57.3	-97.4	0	0	0	109	Y379 F380 T411 R413 L417	Y379-Y415 AromaticContact CD1-CD1 3.43Å; Y379-Y415 HydrophobicContact CD1-CD1 3.43Å; Y379-Y415 VanDerWaalsContact CD1-CD1 3.43Å; Y379-Y415 AromaticContact CD1-CE1 3.83Å; Y379-Y415 HydrophobicContact CD1-CE1 3.83Å; Y379-Y415 AromaticContact CD1-CG 3.83Å; Y379-Y415 HydrophobicContact CD1-CG 3.83Å; Y379-Y415 HydrophobicContact CE1-CD1 4.16Å; Y379-Y415 AromaticContact CG-CD1 3.88Å; Y379-Y415 HydrophobicContact CG-CD1 3.88Å; Y379-Y415 HydrophobicContact CG-CD2 4.17Å; Y379-Y415 HydrophobicContact CG-CE1 4.3Å; Y379-Y415 AromaticContact CG-CG 3.81Å; Y379-Y415 HydrophobicContact CG-CG 3.81Å; F380-Y415 PolarHBondContact O-OH 2.76Å; T411-Y415 HydrophobicContact CG2-CD1 4.35Å; T411-Y415 HydrophobicContact CG2-CE1 4.2Å; R413-Y415 WeakPolarHBondContact O-CD1 3.46Å; Y415-L417 HydrophobicContact CD2-CD1 4.28Å; Y415-L417 HydrophobicContact CD2-CD2 4.32Å; Y415-L417 HydrophobicContact CD2-CG 3.91Å; Y415-L417 HydrophobicContact CE2-CD1 3.94Å; Y415-L417 HydrophobicContact CE2-CG 4.07Å
416	T	96.8	Very high	96	Very high	90 Å²	90	62.6 Å²	62.6	55%	0.552	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.6	176	-59	0	0	0	0	108.8	V423	T416-V423 HydrophobicContact CG2-CB 4.17Å; T416-V423 HydrophobicContact CG2-CG2 4.08Å; T416-V423 PolarHBondContact O-N 3.31Å
417	L	96.8	Very high	95.9	Very high	60 Å²	60	63.9 Å²	63.9	31%	0.314	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.3	175.9	-62	177.5	0	0	0	110	Y379 Y415 L421 V422	Y379-L417 WeakPolarHBondContact O-CD1 3.35Å; Y415-L417 HydrophobicContact CD2-CD1 4.28Å; Y415-L417 HydrophobicContact CD2-CD2 4.32Å; Y415-L417 HydrophobicContact CD2-CG 3.91Å; Y415-L417 HydrophobicContact CE2-CD1 3.94Å; Y415-L417 HydrophobicContact CE2-CG 4.07Å; L417-L421 CarbonylContact C-O 3.58Å; L417-L421 VanDerWaalsContact CA-O 3.28Å; L417-L421 WeakPolarHBondContact CA-O 3.32Å; L417-V422 HydrophobicContact CD2-CG2 3.97Å
418	E	96.2	Very high	95.9	Very high	64 Å²	64	62.8 Å²	62.8	30%	0.299	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.3	170.3	-176.2	175.7	-167	0	0	108.3	G420 L421 V423 S481 N531	E418-G420 PolarHBondContact O-N 3.3Å; E418-G420 VanDerWaalsContact O-N 3.1Å; E418-L421 PolarHBondContact N-O 2.95Å; E418-L421 PolarHBondContact O-N 3.33Å; E418-V423 HydrophobicContact CB-CG2 3.73Å; E418-S481 PolarHBondContact OE2-OG 3.08Å; E418-N531 WeakPolarHBondContact OE2-CB 3.15Å; E418-N531 PolarHBondContact OE2-ND2 3.07Å
419	N	93.6	Very high	95.9	Very high	158 Å²	158	62.8 Å²	62.8	85%	0.845	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	34.3	-174.9	-58.4	-45.8	0	0	0	113.7	L421	N419-L421 VanDerWaalsContact C-N 3.34Å
420	G	93.4	Very high	95.9	Very high	46 Å²	46	63.6 Å²	63.6	47%	0.474	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-0.1	-179.1	0	0	0	0	0	115.4	E418	E418-G420 PolarHBondContact O-N 3.3Å; E418-G420 VanDerWaalsContact O-N 3.1Å
421	L	97.1	Very high	95.8	Very high	8 Å²	8	66.1 Å²	66.1	4%	0.042	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	145.9	175.5	-61.1	-178	0	0	0	111.4	Y370 L417 E418 N419 V423 P479 P533	Y370-L421 HydrophobicContact CE1-CD1 4.09Å; L417-L421 CarbonylContact C-O 3.58Å; L417-L421 VanDerWaalsContact CA-O 3.28Å; L417-L421 WeakPolarHBondContact CA-O 3.32Å; E418-L421 PolarHBondContact N-O 2.95Å; E418-L421 PolarHBondContact O-N 3.33Å; N419-L421 VanDerWaalsContact C-N 3.34Å; L421-V423 PolarHBondContact O-N 2.88Å; L421-P479 HydrophobicContact CD1-CB 4.31Å; L421-P479 HydrophobicContact CD2-CB 3.76Å; L421-P479 HydrophobicContact CD2-CG 3.72Å; L421-P533 HydrophobicContact CD1-CB 3.54Å
422	V	97.4	Very high	95.7	Very high	19 Å²	19	70.5 Å²	70.5	12%	0.115	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	128.3	176	179.3	0	0	0	0	109.7	Y379 L417 P424 Y480 S481	Y379-V422 HydrophobicContact CD2-CG2 3.65Å; Y379-V422 HydrophobicContact CE2-CG2 4.21Å; L417-V422 HydrophobicContact CD2-CG2 3.97Å; V422-P424 VanDerWaalsContact O-CD 3.3Å; V422-P424 WeakPolarHBondContact O-CD 3.43Å; V422-Y480 HydrophobicContact CB-CD1 4.02Å; V422-Y480 HydrophobicContact CB-CE1 4.32Å; V422-Y480 HydrophobicContact CG1-CD1 4.3Å; V422-Y480 HydrophobicContact CG1-CE1 4.43Å; V422-Y480 WeakPolarHBondContact O-CA 3.36Å; V422-S481 PolarHBondContact O-N 2.99Å
423	V	97.6	Very high	95.7	Very high	38 Å²	38	66.1 Å²	66.1	23%	0.23	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	103.9	163.5	-176.7	0	0	0	0	106.6	T416 E418 L421	T416-V423 HydrophobicContact CG2-CB 4.17Å; T416-V423 HydrophobicContact CG2-CG2 4.08Å; T416-V423 PolarHBondContact O-N 3.31Å; E418-V423 HydrophobicContact CB-CG2 3.73Å; L421-V423 PolarHBondContact O-N 2.88Å
424	P	96.1	Very high	95.8	Very high	17 Å²	17	60 Å²	60	11%	0.11	36%	0.362	C	S	.	.			trans	-69.9	142.8	-176	29.4	-33.7	0	0	0	110.8	V422 V428 Y480 S481 I482 P558	V422-P424 VanDerWaalsContact O-CD 3.3Å; V422-P424 WeakPolarHBondContact O-CD 3.43Å; P424-V428 HydrophobicContact CB-CG1 3.62Å; P424-V428 HydrophobicContact CB-CG2 4.33Å; P424-V428 HydrophobicContact CG-CG1 4.37Å; P424-V428 HydrophobicContact CG-CG2 4.19Å; P424-Y480 HydrophobicContact CB-CD1 4.34Å; P424-Y480 HydrophobicContact CG-CD1 4.26Å; P424-Y480 HydrophobicContact CG-CG 4.49Å; P424-S481 VanDerWaalsContact CD-O 3.31Å; P424-S481 WeakPolarHBondContact CD-O 3.32Å; P424-I482 HydrophobicContact CG-CG2 4.33Å; P424-P558 HydrophobicContact CB-CG 4.39Å; P424-P558 HydrophobicContact CG-CG 4.21Å; P424-P558 WeakPolarHBondContact O-CG 3.46Å
425	S	92.6	Very high	96	Very high	101 Å²	101	53.9 Å²	53.9	71%	0.706	32%	0.323	S	S	*	.	S	Bend	trans	-96	-25	168.7	54.9	0	0	0	0	112.6	Q560	S425-Q560 PolarHBondContact O-NE2 3.39Å
426	E	94.4	Very high	96	Very high	144 Å²	144	52.3 Å²	52.3	67%	0.673	32%	0.322	S	S	*	.	S	Bend	trans	-115.3	158.3	-177.5	-62.8	-177.2	171.4	0	0	110.9	V428 P558	E426-V428 PolarHBondContact O-N 2.94Å; E426-P558 WeakPolarHBondContact O-CD 3.11Å
427	N	96.4	Very high	96	Very high	29 Å²	29	50 Å²	50	16%	0.155	31%	0.307	C	S	.	.			trans	-60.6	109.5	-178.4	-178.3	18.8	0	0	0	112.3	A429 T430 E556 C557 Q560	N427-A429 WeakPolarHBondContact OD1-CA 3.45Å; N427-A429 WeakPolarHBondContact OD1-CB 3.28Å; N427-A429 PolarHBondContact OD1-N 3.17Å; N427-T430 HydrophobicContact CB-CG2 4.26Å; N427-T430 VanDerWaalsContact ND2-CG2 3.26Å; N427-T430 WeakPolarHBondContact ND2-CG2 3.5Å; N427-E556 HydrophobicContact CB-CB 4.16Å; N427-E556 WeakPolarHBondContact ND2-CB 3.29Å; N427-E556 WeakPolarHBondContact OD1-CA 3.45Å; N427-E556 WeakPolarHBondContact OD1-CB 3.07Å; N427-C557 CarbonylContact C-O 3.29Å; N427-C557 WeakPolarHBondContact CA-O 3.16Å; N427-C557 PolarHBondContact OD1-N 3.35Å; N427-C557 PolarHBondContact OD1-O 2.66Å; N427-Q560 HydrophobicContact CB-CG 4.05Å
428	V	97.3	Very high	95.9	Very high	16 Å²	16	50.2 Å²	50.2	10%	0.097	31%	0.308	C	S	.	.			trans	-90.2	-6.1	175.9	-63.9	0	0	0	0	113.1	P424 E426 T430 A433 L476 Y480 C557	P424-V428 HydrophobicContact CB-CG1 3.62Å; P424-V428 HydrophobicContact CB-CG2 4.33Å; P424-V428 HydrophobicContact CG-CG1 4.37Å; P424-V428 HydrophobicContact CG-CG2 4.19Å; E426-V428 PolarHBondContact O-N 2.94Å; V428-T430 VanDerWaalsContact C-N 3.3Å; V428-T430 PolarHBondContact O-N 2.74Å; V428-A433 WeakPolarHBondContact O-CB 3.39Å; V428-L476 HydrophobicContact CG2-CD1 4.47Å; V428-L476 HydrophobicContact CG2-CD2 4.49Å; V428-Y480 HydrophobicContact CB-CD2 4.36Å; V428-Y480 HydrophobicContact CB-CE1 4.34Å; V428-Y480 HydrophobicContact CB-CE2 3.81Å; V428-Y480 HydrophobicContact CG1-CD1 4.35Å; V428-Y480 HydrophobicContact CG1-CE1 3.78Å; V428-Y480 HydrophobicContact CG1-CE2 4.17Å; V428-Y480 HydrophobicContact CG2-CD2 3.82Å; V428-Y480 HydrophobicContact CG2-CE2 3.78Å; V428-Y480 HydrophobicContact CG2-CG 4.17Å; V428-C557 WeakPolarHBondContact CG2-O 3.3Å; V428-C557 PolarHBondContact N-O 3.12Å
429	A	97.4	Very high	95.9	Very high	0 Å²	0	51 Å²	51	0%	0	31%	0.312	C	S	.	.	S	Bend	trans	-91.1	61.8	172.8	0	0	0	0	0	110.8	N427 L449 L476 F555 C557	N427-A429 WeakPolarHBondContact OD1-CA 3.45Å; N427-A429 WeakPolarHBondContact OD1-CB 3.28Å; N427-A429 PolarHBondContact OD1-N 3.17Å; A429-L449 HydrophobicContact CB-CD2 4.2Å; A429-L449 WeakPolarHBondContact O-CD2 3.37Å; A429-L476 HydrophobicContact CB-CD2 4Å; A429-F555 HydrophobicContact CB-CD1 3.59Å; A429-F555 HydrophobicContact CB-CE1 3.54Å; A429-C557 HydrophobicContact CB-CB 4.18Å
430	T	97.2	Very high	95.9	Very high	35 Å²	35	45.2 Å²	45.2	22%	0.215	29%	0.289	C	S	.	.	S	Bend	trans	-133.3	159.6	176.6	66.5	0	0	0	0	111.3	N427 V428 A432 A433 C434 A435	N427-T430 HydrophobicContact CB-CG2 4.26Å; N427-T430 VanDerWaalsContact ND2-CG2 3.26Å; N427-T430 WeakPolarHBondContact ND2-CG2 3.5Å; V428-T430 VanDerWaalsContact C-N 3.3Å; V428-T430 PolarHBondContact O-N 2.74Å; T430-A432 VanDerWaalsContact C-N 3.26Å; T430-A432 PolarHBondContact O-N 3.49Å; T430-A433 CarbonylContact O-C 3.53Å; T430-A433 PolarHBondContact O-N 2.99Å; T430-A433 VanDerWaalsContact OG1-CB 3.28Å; T430-A433 WeakPolarHBondContact OG1-CB 3.4Å; T430-A433 PolarHBondContact OG1-N 2.88Å; T430-A433 VanDerWaalsContact OG1-N 3.08Å; T430-C434 PolarHBondContact O-N 3.41Å; T430-A435 WeakPolarHBondContact O-CB 3.21Å; T430-A435 PolarHBondContact O-N 3.4Å
431	I	95.2	Very high	95.9	Very high	80 Å²	80	47.8 Å²	47.8	41%	0.41	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-39.7	173.8	-55.3	162.5	0	0	0	110.7	A433 C434 N446 L449 N450	I431-A433 VanDerWaalsContact C-N 3.29Å; I431-A433 PolarHBondContact O-N 3Å; I431-C434 WeakPolarHBondContact O-CA 3.21Å; I431-C434 PolarHBondContact O-N 3.43Å; I431-N446 HydrophobicContact CD1-CB 3.44Å; I431-N446 VanDerWaalsContact CD1-CB 3.44Å; I431-N446 HydrophobicContact CG1-CB 3.81Å; I431-L449 HydrophobicContact CG1-CB 4.41Å; I431-L449 PolarHBondContact N-O 2.81Å; I431-N450 HydrophobicContact CD1-CB 4.15Å
432	A	95.1	Very high	95.7	Very high	96 Å²	96	49.5 Å²	49.5	79%	0.793	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-32.4	179	0	0	0	0	0	112.4	T430 C434	T430-A432 VanDerWaalsContact C-N 3.26Å; T430-A432 PolarHBondContact O-N 3.49Å; A432-C434 PolarHBondContact O-N 3.21Å
433	A	96.1	Very high	95.3	Very high	27 Å²	27	57 Å²	57	22%	0.223	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	13.2	172.1	0	0	0	0	0	113.3	V428 T430 I431 A435 A477	V428-A433 WeakPolarHBondContact O-CB 3.39Å; T430-A433 CarbonylContact O-C 3.53Å; T430-A433 PolarHBondContact O-N 2.99Å; T430-A433 VanDerWaalsContact OG1-CB 3.28Å; T430-A433 WeakPolarHBondContact OG1-CB 3.4Å; T430-A433 PolarHBondContact OG1-N 2.88Å; T430-A433 VanDerWaalsContact OG1-N 3.08Å; I431-A433 VanDerWaalsContact C-N 3.29Å; I431-A433 PolarHBondContact O-N 3Å; A433-A435 PolarHBondContact O-N 3.31Å; A433-A477 WeakPolarHBondContact O-CB 3.49Å
434	C	96.4	Very high	94.8	Very high	33 Å²	33	57.2 Å²	57.2	22%	0.223	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	22.4	178.3	-55.1	0	0	0	0	114.9	S374 T430 I431 A432 A477	S374-C434 PolarHBondContact OG-SG 3.24Å; T430-C434 PolarHBondContact O-N 3.41Å; I431-C434 WeakPolarHBondContact O-CA 3.21Å; I431-C434 PolarHBondContact O-N 3.43Å; A432-C434 PolarHBondContact O-N 3.21Å; C434-A477 HydrophobicContact CB-CB 3.8Å
435	A	97	Very high	94.3	Very high	7 Å²	7	67 Å²	67	6%	0.058	37%	0.372	C	S	.	.			trans	-75	152.2	169.7	0	0	0	0	0	111.2	T430 A433 L449 Q475 L476	T430-A435 WeakPolarHBondContact O-CB 3.21Å; T430-A435 PolarHBondContact O-N 3.4Å; A433-A435 PolarHBondContact O-N 3.31Å; A435-L449 HydrophobicContact CB-CD1 4.03Å; A435-Q475 CarbonylContact C-O 3.58Å; A435-Q475 VanDerWaalsContact CA-O 3.28Å; A435-Q475 WeakPolarHBondContact CA-O 3.44Å; A435-L476 HydrophobicContact CB-CD2 4.29Å
436	S	95.8	Very high	94.1	Very high	31 Å²	31	64.9 Å²	64.9	22%	0.217	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	151.9	-179.2	62.4	0	0	0	0	112.1	I474 Q475	S436-I474 CarbonylContact O-C 3.59Å; S436-I474 WeakPolarHBondContact O-CA 3.39Å; S436-Q475 PolarHBondContact N-O 2.81Å; S436-Q475 PolarHBondContact O-N 2.78Å
437	V	96.5	Very high	94.1	Very high	41 Å²	41	58.1 Å²	58.1	25%	0.248	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117.5	171.2	-178.3	0	0	0	0	107.9	E439 L448 L449 T463 I472 V473 I474	V437-E439 WeakPolarHBondContact CG1-O 3.36Å; V437-L448 HydrophobicContact CG2-CB 4.02Å; V437-L448 HydrophobicContact CG2-CD2 3.88Å; V437-L449 HydrophobicContact CG2-CD1 3.87Å; V437-L449 HydrophobicContact CG2-CG 4.02Å; V437-T463 HydrophobicContact CG1-CG2 4.25Å; V437-I472 HydrophobicContact CG1-CG2 4.39Å; V437-V473 CarbonylContact C-O 3.57Å; V437-V473 WeakPolarHBondContact CA-O 3.29Å; V437-I474 HydrophobicContact CG2-CG1 4.41Å
438	I	95	Very high	94.1	Very high	65 Å²	65	56.7 Å²	56.7	33%	0.333	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-21	-176.9	63.5	169.2	0	0	0	112.9	V473 Q475 F536	I438-V473 HydrophobicContact CD1-CB 4.4Å; I438-V473 HydrophobicContact CD1-CG1 3.71Å; I438-V473 HydrophobicContact CG1-CB 3.83Å; I438-V473 HydrophobicContact CG1-CG1 3.62Å; I438-V473 WeakPolarHBondContact CG1-O 2.94Å; I438-V473 PolarHBondContact N-O 2.81Å; I438-Q475 HydrophobicContact CD1-CB 4.37Å; I438-Q475 HydrophobicContact CG2-CB 3.92Å; I438-F536 HydrophobicContact CD1-CD1 3.93Å; I438-F536 HydrophobicContact CD1-CE1 3.97Å
439	E	95.8	Very high	94.1	Very high	80 Å²	80	56.1 Å²	56.1	37%	0.374	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.3	169	-61.4	178.8	-155.7	0	0	110	V437 I472 V473	V437-E439 WeakPolarHBondContact CG1-O 3.36Å; E439-I472 WeakPolarHBondContact O-CA 3.34Å; E439-V473 HydrophobicContact CB-CB 3.77Å; E439-V473 HydrophobicContact CB-CG2 3.79Å; E439-V473 VanDerWaalsContact CD-CG2 3.49Å; E439-V473 HydrophobicContact CG-CB 4.01Å; E439-V473 HydrophobicContact CG-CG2 3.94Å; E439-V473 PolarHBondContact N-O 3.34Å; E439-V473 PolarHBondContact O-N 2.82Å; E439-V473 WeakPolarHBondContact OE2-CG2 3.38Å
440	G	93.8	Very high	93.9	Very high	37 Å²	37	59.7 Å²	59.7	38%	0.381	33%	0.33	S	S	.	.	S	Bend	trans	119.4	154.9	-173.2	0	0	0	0	0	111.5	A471	G440-A471 PolarHBondContact N-O 2.79Å
441	V	94.1	Very high	93.7	Very high	99 Å²	99	60.2 Å²	60.2	60%	0.6	34%	0.342	S	S	*	.	B	Isolated β-bridge	trans	-109.1	131.3	-179.1	-177.4	0	0	0	0	108.8	T463 C464	V441-T463 CarbonylContact O-C 3.56Å; V441-T463 WeakPolarHBondContact O-CA 3.41Å; V441-C464 PolarHBondContact N-O 2.71Å; V441-C464 PolarHBondContact O-N 3Å; V441-C464 PolarHBondContact O-SG 2.67Å
442	S	92.4	Very high	93.5	Very high	45 Å²	45	58.9 Å²	58.9	32%	0.315	34%	0.336	S	S	.	.			trans	-143.2	141.2	171.3	177.4	0	0	0	0	109.7	S444 Y462	S442-S444 WeakPolarHBondContact CB-O 3.44Å; S442-S444 PolarHBondContact OG-N 3.13Å; S442-S444 VanDerWaalsContact OG-N 3.08Å; S442-S444 PolarHBondContact OG-O 3.1Å; S442-Y462 PolarHBondContact OG-O 3.48Å; S442-Y462 VanDerWaalsContact OG-O 3.11Å
443	R	89.3	Confident	93.4	Very high	177 Å²	177	56.3 Å²	56.3	67%	0.668	31%	0.31	S	S	*	.	S	Bend	trans	-76.7	-27.2	170.5	-68.5	172.9	173.2	-169.2	10.7	111.7	D459	R443-D459 WeakPolarHBondContact CD-O 3.46Å; R443-D459 IonicContact CZ-OD1 2.7Å; R443-D459 PolarHBondContact NH1-O 3.1Å; R443-D459 IonicContact NH1-OD1 3.9Å; R443-D459 PolarHBondContact NH1-OD1 2.95Å
444	S	87.8	Confident	93.2	Very high	41 Å²	41	64.9 Å²	64.9	29%	0.287	34%	0.336	S	S	.	.	S	Bend	trans	-105	122.5	177.9	-62.1	0	0	0	0	110.3	S442 N446 A447	S442-S444 WeakPolarHBondContact CB-O 3.44Å; S442-S444 PolarHBondContact OG-N 3.13Å; S442-S444 VanDerWaalsContact OG-N 3.08Å; S442-S444 PolarHBondContact OG-O 3.1Å; S444-N446 PolarHBondContact O-N 2.87Å; S444-A447 WeakPolarHBondContact O-CB 3.23Å; S444-A447 PolarHBondContact O-N 3.12Å
445	R	84.5	Confident	93	Very high	223 Å²	223	69 Å²	69	84%	0.842	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	131.5	177.7	-173.1	-176.9	-68.7	-177.4	-1.2	109.7	A447	R445-A447 PolarHBondContact O-N 3.31Å
446	N	89.1	Confident	92.8	Very high	57 Å²	57	70.5 Å²	70.5	31%	0.305	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	20.5	177.1	-50.4	-29.2	0	0	0	115.7	I431 S444 L448 L449 N450	I431-N446 HydrophobicContact CD1-CB 3.44Å; I431-N446 VanDerWaalsContact CD1-CB 3.44Å; I431-N446 HydrophobicContact CG1-CB 3.81Å; S444-N446 PolarHBondContact O-N 2.87Å; N446-L448 PolarHBondContact O-N 2.96Å; N446-L448 VanDerWaalsContact O-N 3.08Å; N446-L449 PolarHBondContact O-N 3.08Å; N446-N450 WeakPolarHBondContact O-CB 3.42Å; N446-N450 PolarHBondContact O-N 3.34Å; N446-N450 VanDerWaalsContact O-N 3.12Å
447	A	93.7	Very high	92.7	Very high	1 Å²	1	72.8 Å²	72.8	1%	0.008	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-47.8	-41.7	-178	0	0	0	0	0	113.3	S444 R445 L449 N450	S444-A447 WeakPolarHBondContact O-CB 3.23Å; S444-A447 PolarHBondContact O-N 3.12Å; R445-A447 PolarHBondContact O-N 3.31Å; A447-L449 VanDerWaalsContact C-N 3.29Å; A447-L449 PolarHBondContact O-N 2.97Å; A447-N450 PolarHBondContact O-OD1 3.34Å
448	L	96.3	Very high	92.1	Very high	0 Å²	0	77 Å²	77	0%	0	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-66.7	-25.6	-177.8	-166.8	65.2	0	0	0	114.9	V437 N446 T463 I472 I474 C552 F555	V437-L448 HydrophobicContact CG2-CB 4.02Å; V437-L448 HydrophobicContact CG2-CD2 3.88Å; N446-L448 PolarHBondContact O-N 2.96Å; N446-L448 VanDerWaalsContact O-N 3.08Å; L448-T463 WeakPolarHBondContact CB-OG1 3.38Å; L448-I472 HydrophobicContact CD2-CG2 3.51Å; L448-I474 HydrophobicContact CD2-CD1 3.79Å; L448-I474 HydrophobicContact CD2-CG1 3.79Å; L448-C552 HydrophobicContact CD1-CB 3.88Å; L448-C552 VanDerWaalsContact CD1-SG 3.59Å; L448-F555 HydrophobicContact CD1-CB 3.88Å; L448-F555 HydrophobicContact CD2-CB 4.24Å; L448-F555 HydrophobicContact CG-CB 3.78Å; L448-F555 PolarHBondContact O-N 3Å
449	L	96.6	Very high	91.8	Very high	3 Å²	3	78.4 Å²	78.4	2%	0.016	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-123.3	9.4	-166.9	-51.9	179.2	0	0	0	112.9	A429 I431 A435 V437 N446 A447 I474 F555	A429-L449 HydrophobicContact CB-CD2 4.2Å; A429-L449 WeakPolarHBondContact O-CD2 3.37Å; I431-L449 HydrophobicContact CG1-CB 4.41Å; I431-L449 PolarHBondContact N-O 2.81Å; A435-L449 HydrophobicContact CB-CD1 4.03Å; V437-L449 HydrophobicContact CG2-CD1 3.87Å; V437-L449 HydrophobicContact CG2-CG 4.02Å; N446-L449 PolarHBondContact O-N 3.08Å; A447-L449 VanDerWaalsContact C-N 3.29Å; A447-L449 PolarHBondContact O-N 2.97Å; L449-I474 HydrophobicContact CD1-CG2 4.34Å; L449-I474 HydrophobicContact CD2-CG1 4.5Å; L449-I474 HydrophobicContact CD2-CG2 4.33Å; L449-F555 HydrophobicContact CD2-CD1 4.19Å
450	N	93.9	Very high	91.6	Very high	76 Å²	76	76.6 Å²	76.6	41%	0.406	39%	0.386	S	S	.	.	S	Bend	trans	-87	-9.1	-176.6	69.3	0.8	0	0	0	113.3	I431 N446 A447 D452	I431-N450 HydrophobicContact CD1-CB 4.15Å; N446-N450 WeakPolarHBondContact O-CB 3.42Å; N446-N450 PolarHBondContact O-N 3.34Å; N446-N450 VanDerWaalsContact O-N 3.12Å; A447-N450 PolarHBondContact O-OD1 3.34Å; N450-D452 VanDerWaalsContact C-N 3.29Å; N450-D452 PolarHBondContact O-N 3.11Å; N450-D452 WeakPolarHBondContact OD1-CB 3.15Å; N450-D452 PolarHBondContact OD1-N 3.41Å
451	G	92.7	Very high	91.5	Very high	46 Å²	46	75.3 Å²	75.3	47%	0.474	37%	0.373	S	S	.	.			trans	79.7	2.7	-178.3	0	0	0	0	0	115.1	T453	G451-T453 PolarHBondContact O-N 3.25Å
452	D	92.4	Very high	91.6	Very high	52 Å²	52	71.8 Å²	71.8	28%	0.278	35%	0.349	S	S	.	.			trans	-80.2	112.7	175.6	-163.8	-21	0	0	0	110.3	N450 R454 N455	N450-D452 VanDerWaalsContact C-N 3.29Å; N450-D452 PolarHBondContact O-N 3.11Å; N450-D452 WeakPolarHBondContact OD1-CB 3.15Å; N450-D452 PolarHBondContact OD1-N 3.41Å; D452-R454 PolarHBondContact OD1-N 2.61Å; D452-N455 PolarHBondContact OD1-N 2.97Å; D452-N455 PolarHBondContact OD1-ND2 3.3Å; D452-N455 WeakPolarHBondContact OD2-CB 3.44Å; D452-N455 PolarHBondContact OD2-ND2 2.79Å
453	T	93.2	Very high	91.8	Very high	41 Å²	41	69.8 Å²	69.8	25%	0.252	34%	0.335	S	S	.	.	S	Bend	trans	-116.3	13.5	-177.7	53.7	0	0	0	0	112	G451 Y456 L488 W524 H554	G451-T453 PolarHBondContact O-N 3.25Å; T453-Y456 WeakPolarHBondContact O-CE1 3.28Å; T453-L488 HydrophobicContact CG2-CD2 4.42Å; T453-W524 HydrophobicContact CG2-CH2 3.59Å; T453-W524 HydrophobicContact CG2-CZ2 3.58Å; T453-H554 HydrophobicContact CG2-CB 3.88Å
454	R	91.8	Very high	92.1	Very high	207 Å²	207	62.3 Å²	62.3	78%	0.781	31%	0.31	S	S	*	.	S	Bend	trans	-135.9	-29.9	-174.2	-62.9	-176.2	-176.4	172.4	1.8	113.8	D452	D452-R454 PolarHBondContact OD1-N 2.61Å
455	N	91	Very high	92.6	Very high	121 Å²	121	60.8 Å²	60.8	65%	0.647	30%	0.298	S	S	*	.			trans	-104.8	80.2	-177.8	-42.1	-68.2	0	0	0	110.1	D452	D452-N455 PolarHBondContact OD1-N 2.97Å; D452-N455 PolarHBondContact OD1-ND2 3.3Å; D452-N455 WeakPolarHBondContact OD2-CB 3.44Å; D452-N455 PolarHBondContact OD2-ND2 2.79Å
456	Y	93.4	Very high	93.2	Very high	37 Å²	37	55.3 Å²	55.3	15%	0.145	28%	0.282	C	S	.	.			trans	-141	147	172.3	54	-83	0	0	0	109.9	T453 S460 L488 W490 D491 C492 V553	T453-Y456 WeakPolarHBondContact O-CE1 3.28Å; Y456-S460 WeakPolarHBondContact CA-O 3.39Å; Y456-L488 HydrophobicContact CE1-CD2 4.1Å; Y456-W490 HydrophobicContact CD2-CE3 4.24Å; Y456-W490 HydrophobicContact CD2-CZ3 4.16Å; Y456-D491 WeakPolarHBondContact CE2-OD1 3.46Å; Y456-D491 PolarHBondContact OH-OD1 3.47Å; Y456-C492 VanDerWaalsContact CD2-SG 3.6Å; Y456-C492 WeakPolarHBondContact CE2-SG 3.27Å; Y456-V553 HydrophobicContact CD1-CG1 3.43Å; Y456-V553 VanDerWaalsContact CD1-CG1 3.43Å; Y456-V553 HydrophobicContact CD1-CG2 4.47Å; Y456-V553 HydrophobicContact CD2-CG1 4.21Å; Y456-V553 HydrophobicContact CD2-CG2 3.74Å; Y456-V553 HydrophobicContact CE1-CG1 3.69Å; Y456-V553 HydrophobicContact CE2-CG1 4.4Å; Y456-V553 HydrophobicContact CE2-CG2 3.81Å; Y456-V553 HydrophobicContact CG-CG1 3.73Å; Y456-V553 HydrophobicContact CG-CG2 4.09Å
457	D	92.4	Very high	93.5	Very high	80 Å²	80	54.4 Å²	54.4	43%	0.428	28%	0.277	S	S	.	.			trans	-149	-173.4	-178.9	64.6	20	0	0	0	109.8	D459 S460 Y462 W490	D457-D459 PolarHBondContact O-N 2.92Å; D457-D459 VanDerWaalsContact O-N 3.11Å; D457-D459 WeakPolarHBondContact OD1-CA 3.48Å; D457-D459 PolarHBondContact OD1-N 3.16Å; D457-S460 PolarHBondContact N-O 3.14Å; D457-S460 PolarHBondContact O-N 3.03Å; D457-S460 PolarHBondContact OD1-N 3.38Å; D457-S460 PolarHBondContact OD1-OG 3.46Å; D457-Y462 WeakPolarHBondContact O-CE1 3.32Å; D457-W490 WeakPolarHBondContact O-CH2 3.48Å; D457-W490 WeakPolarHBondContact O-CZ3 3.48Å
458	W	85.7	Confident	93.3	Very high	130 Å²	130	58.6 Å²	58.6	49%	0.492	32%	0.32	S	S	.	.	S	Bend	trans	-62.3	-24.8	-174.2	-162.4	-101.1	0	0	0	112.6	Y462 W490 R495	W458-Y462 PolarHBondContact O-OH 2.96Å; W458-W490 HydrophobicContact CE3-CH2 4Å; W458-W490 AromaticContact CE3-CZ2 3.63Å; W458-W490 HydrophobicContact CE3-CZ2 3.63Å; W458-W490 HydrophobicContact CZ3-CZ2 4.02Å; W458-R495 VanDerWaalsContact CH2-NH2 3.28Å
459	D	87.3	Confident	93.1	Very high	94 Å²	94	62.7 Å²	62.7	50%	0.503	35%	0.349	S	S	.	.	S	Bend	trans	-94.7	-22.1	-174.6	-75.7	-43.5	0	0	0	113.5	R443 D457	R443-D459 WeakPolarHBondContact CD-O 3.46Å; R443-D459 IonicContact CZ-OD1 2.7Å; R443-D459 PolarHBondContact NH1-O 3.1Å; R443-D459 IonicContact NH1-OD1 3.9Å; R443-D459 PolarHBondContact NH1-OD1 2.95Å; D457-D459 PolarHBondContact O-N 2.92Å; D457-D459 VanDerWaalsContact O-N 3.11Å; D457-D459 WeakPolarHBondContact OD1-CA 3.48Å; D457-D459 PolarHBondContact OD1-N 3.16Å
460	S	91.9	Very high	92.9	Very high	41 Å²	41	64 Å²	64	29%	0.287	36%	0.363	S	S	.	.	S	Bend	trans	-160.4	167.1	-174.3	68.6	0	0	0	0	114.7	Y456 D457	Y456-S460 WeakPolarHBondContact CA-O 3.39Å; D457-S460 PolarHBondContact N-O 3.14Å; D457-S460 PolarHBondContact O-N 3.03Å; D457-S460 PolarHBondContact OD1-N 3.38Å; D457-S460 PolarHBondContact OD1-OG 3.46Å
461	G	92.4	Very high	93	Very high	10 Å²	10	60.8 Å²	60.8	10%	0.103	35%	0.347	C	S	.	.	S	Bend	trans	91.7	15.9	171.6	0	0	0	0	0	115.6
462	Y	94.9	Very high	93.3	Very high	25 Å²	25	58.6 Å²	58.6	10%	0.098	33%	0.325	C	S	.	.			trans	-142.6	160.2	172.8	60.9	-92.8	0	0	0	111.6	S442 D457 W458 C464 W490 H551 C552	S442-Y462 PolarHBondContact OG-O 3.48Å; S442-Y462 VanDerWaalsContact OG-O 3.11Å; D457-Y462 WeakPolarHBondContact O-CE1 3.32Å; W458-Y462 PolarHBondContact O-OH 2.96Å; Y462-C464 HydrophobicContact CD2-CB 3.98Å; Y462-C464 HydrophobicContact CE2-CB 4.02Å; Y462-W490 AromaticContact CD1-CE3 3.91Å; Y462-W490 HydrophobicContact CD1-CE3 3.91Å; Y462-W490 AromaticContact CD1-CZ3 3.62Å; Y462-W490 HydrophobicContact CD1-CZ3 3.62Å; Y462-W490 HydrophobicContact CE1-CE3 4.33Å; Y462-W490 AromaticContact CE1-CZ3 3.8Å; Y462-W490 HydrophobicContact CE1-CZ3 3.8Å; Y462-W490 HydrophobicContact CG-CE3 4.47Å; Y462-H551 HydrophobicContact CD2-CB 4.33Å; Y462-H551 AromaticContact CD2-CD2 3.56Å; Y462-H551 AromaticContact CE2-CD2 3.31Å; Y462-H551 WeakPolarHBondContact CE2-CD2 3.38Å; Y462-H551 AromaticContact CZ-CD2 3.77Å; Y462-C552 WeakPolarHBondContact CA-O 3.46Å
463	T	97.1	Very high	93.5	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.2	166.3	-56.8	0	0	0	0	109.2	V437 V441 L448 I472 C552	V437-T463 HydrophobicContact CG1-CG2 4.25Å; V441-T463 CarbonylContact O-C 3.56Å; V441-T463 WeakPolarHBondContact O-CA 3.41Å; L448-T463 WeakPolarHBondContact CB-OG1 3.38Å; T463-I472 HydrophobicContact CG2-CD1 4.06Å; T463-I472 HydrophobicContact CG2-CG1 3.96Å; T463-I472 HydrophobicContact CG2-CG2 4.16Å; T463-I472 WeakPolarHBondContact O-CD1 3.44Å; T463-C552 PolarHBondContact N-O 2.99Å; T463-C552 PolarHBondContact O-N 2.99Å
464	C	96.3	Very high	93.8	Very high	20 Å²	20	54.1 Å²	54.1	14%	0.135	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	166.2	-175.7	67.5	0	0	0	0	113.7	V441 Y462 V549 F550	V441-C464 PolarHBondContact N-O 2.71Å; V441-C464 PolarHBondContact O-N 3Å; V441-C464 PolarHBondContact O-SG 2.67Å; Y462-C464 HydrophobicContact CD2-CB 3.98Å; Y462-C464 HydrophobicContact CE2-CB 4.02Å; C464-V549 HydrophobicContact CB-CG1 3.63Å; C464-F550 WeakPolarHBondContact CA-O 3Å; C464-F550 WeakPolarHBondContact CB-O 3.46Å
465	H	97.5	Very high	94.1	Very high	9 Å²	9	44.5 Å²	44.5	4%	0.042	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	157.3	167.5	74.9	88.7	0	0	0	110.4	G470 G541 V549 F550	H465-G470 PolarHBondContact CE1-O 3.02Å; H465-G470 PolarHBondContact ND1-O 3.2Å; H465-G541 PolarHBondContact CE1-N 2.82Å; H465-G541 PolarHBondContact NE2-N 3.37Å; H465-V549 WeakPolarHBondContact O-CA 3.38Å; H465-F550 AromaticContact CD2-CD1 3.9Å; H465-F550 PolarHBondContact N-O 2.89Å; H465-F550 VanDerWaalsContact N-O 3.15Å; H465-F550 AromaticContact NE2-CD1 3.77Å; H465-F550 AromaticContact NE2-CG 3.81Å; H465-F550 PolarHBondContact O-N 3Å
466	Q	96.8	Very high	94.4	Very high	109 Å²	109	38.8 Å²	38.8	51%	0.509	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	138.3	174.4	-173.4	173.8	20.5	0	0	110.6	S469 G470	Q466-S469 PolarHBondContact OE1-OG 2.83Å; Q466-G470 PolarHBondContact O-N 2.9Å
467	L	95.7	Very high	94.5	Very high	37 Å²	37	37 Å²	37	19%	0.194	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	136.9	176.9	-63.1	-178.1	0	0	0	110.5	S469 G541 N544 E548 F550	L467-S469 VanDerWaalsContact C-N 3.27Å; L467-S469 PolarHBondContact O-N 3.16Å; L467-G541 VanDerWaalsContact CD2-C 3.44Å; L467-G541 VanDerWaalsContact CD2-O 3.28Å; L467-G541 WeakPolarHBondContact CD2-O 3.27Å; L467-N544 HydrophobicContact CD1-CB 4.11Å; L467-E548 WeakPolarHBondContact CG-O 3.44Å; L467-E548 PolarHBondContact N-O 2.79Å; L467-F550 HydrophobicContact CD2-CB 3.85Å
468	G	90.9	Very high	94.8	Very high	89 Å²	89	33.4 Å²	33.4	92%	0.918	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.2	-9.3	177.3	0	0	0	0	0	116.2
469	S	90.7	Very high	95.3	Very high	86 Å²	86	27.2 Å²	27.2	60%	0.601	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.7	-4.6	-176.9	63.6	0	0	0	0	115.7	Q466 L467	Q466-S469 PolarHBondContact OE1-OG 2.83Å; L467-S469 VanDerWaalsContact C-N 3.27Å; L467-S469 PolarHBondContact O-N 3.16Å
470	G	92.4	Very high	95.9	Very high	31 Å²	31	23.3 Å²	23.3	32%	0.32	16%	0.161	S	C	.	.			trans	-146.3	-178.4	-178	0	0	0	0	0	114.3	H465 Q466	H465-G470 PolarHBondContact CE1-O 3.02Å; H465-G470 PolarHBondContact ND1-O 3.2Å; Q466-G470 PolarHBondContact O-N 2.9Å
471	A	97.1	Very high	96.1	Very high	8 Å²	8	21.7 Å²	21.7	7%	0.066	15%	0.15	C	C	.	.			trans	-151.3	168.2	173.8	0	0	0	0	0	110	G440 V473 R538 V540	G440-A471 PolarHBondContact N-O 2.79Å; A471-V473 HydrophobicContact CB-CG2 4.39Å; A471-R538 HydrophobicContact CB-CG 3.71Å; A471-V540 HydrophobicContact CB-CG2 3.95Å
472	I	98.1	Very high	96.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.2	163.2	-65	165.2	0	0	0	107.1	V437 E439 L448 T463 R538 I539 F550 C552	V437-I472 HydrophobicContact CG1-CG2 4.39Å; E439-I472 WeakPolarHBondContact O-CA 3.34Å; L448-I472 HydrophobicContact CD2-CG2 3.51Å; T463-I472 HydrophobicContact CG2-CD1 4.06Å; T463-I472 HydrophobicContact CG2-CG1 3.96Å; T463-I472 HydrophobicContact CG2-CG2 4.16Å; T463-I472 WeakPolarHBondContact O-CD1 3.44Å; I472-R538 CarbonylContact O-C 3.54Å; I472-R538 WeakPolarHBondContact O-CA 3.38Å; I472-I539 HydrophobicContact CB-CB 4.4Å; I472-I539 PolarHBondContact N-O 2.94Å; I472-I539 PolarHBondContact O-N 2.83Å; I472-F550 HydrophobicContact CD1-CD1 4.2Å; I472-F550 HydrophobicContact CD1-CE1 4.45Å; I472-C552 HydrophobicContact CD1-CB 3.87Å
473	V	97.8	Very high	96.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.7	178.8	-175.9	0	0	0	0	109.6	V437 I438 E439 A471 W510 V537 R538	V437-V473 CarbonylContact C-O 3.57Å; V437-V473 WeakPolarHBondContact CA-O 3.29Å; I438-V473 HydrophobicContact CD1-CB 4.4Å; I438-V473 HydrophobicContact CD1-CG1 3.71Å; I438-V473 HydrophobicContact CG1-CB 3.83Å; I438-V473 HydrophobicContact CG1-CG1 3.62Å; I438-V473 WeakPolarHBondContact CG1-O 2.94Å; I438-V473 PolarHBondContact N-O 2.81Å; E439-V473 HydrophobicContact CB-CB 3.77Å; E439-V473 HydrophobicContact CB-CG2 3.79Å; E439-V473 VanDerWaalsContact CD-CG2 3.49Å; E439-V473 HydrophobicContact CG-CB 4.01Å; E439-V473 HydrophobicContact CG-CG2 3.94Å; E439-V473 PolarHBondContact N-O 3.34Å; E439-V473 PolarHBondContact O-N 2.82Å; E439-V473 WeakPolarHBondContact OE2-CG2 3.38Å; A471-V473 HydrophobicContact CB-CG2 4.39Å; V473-W510 HydrophobicContact CG1-CH2 3.98Å; V473-V537 CarbonylContact C-O 3.58Å; V473-V537 WeakPolarHBondContact CA-O 3.44Å; V473-R538 HydrophobicContact CG2-CB 4.05Å; V473-R538 HydrophobicContact CG2-CG 3.87Å
474	I	98	Very high	96.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.2	176.3	-60.8	135.2	0	0	0	107.9	S436 V437 L448 L449 L476 F536 V537 I539 F555	S436-I474 CarbonylContact O-C 3.59Å; S436-I474 WeakPolarHBondContact O-CA 3.39Å; V437-I474 HydrophobicContact CG2-CG1 4.41Å; L448-I474 HydrophobicContact CD2-CD1 3.79Å; L448-I474 HydrophobicContact CD2-CG1 3.79Å; L449-I474 HydrophobicContact CD1-CG2 4.34Å; L449-I474 HydrophobicContact CD2-CG1 4.5Å; L449-I474 HydrophobicContact CD2-CG2 4.33Å; I474-L476 HydrophobicContact CG2-CD2 4.27Å; I474-F536 CarbonylContact O-C 3.56Å; I474-F536 WeakPolarHBondContact O-CA 3.26Å; I474-V537 PolarHBondContact N-O 3.24Å; I474-V537 PolarHBondContact O-N 3.39Å; I474-I539 HydrophobicContact CD1-CD1 4.14Å; I474-F555 HydrophobicContact CD1-CB 4.3Å; I474-F555 HydrophobicContact CD1-CD1 3.5Å; I474-F555 VanDerWaalsContact CD1-CD1 3.5Å; I474-F555 HydrophobicContact CD1-CD2 4.06Å; I474-F555 HydrophobicContact CD1-CE1 3.67Å; I474-F555 HydrophobicContact CD1-CE2 4.2Å; I474-F555 HydrophobicContact CD1-CG 3.69Å; I474-F555 HydrophobicContact CD1-CZ 4Å; I474-F555 HydrophobicContact CG1-CD1 4.43Å
475	Q	97.7	Very high	96.5	Very high	5 Å²	5	20.7 Å²	20.7	2%	0.023	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.4	167.1	178.3	169.9	22.5	0	0	109	S347 A435 S436 I438 F536	S347-Q475 PolarHBondContact OG-NE2 3.16Å; A435-Q475 CarbonylContact C-O 3.58Å; A435-Q475 VanDerWaalsContact CA-O 3.28Å; A435-Q475 WeakPolarHBondContact CA-O 3.44Å; S436-Q475 PolarHBondContact N-O 2.81Å; S436-Q475 PolarHBondContact O-N 2.78Å; I438-Q475 HydrophobicContact CD1-CB 4.37Å; I438-Q475 HydrophobicContact CG2-CB 3.92Å; Q475-F536 HydrophobicContact CB-CD1 3.8Å; Q475-F536 HydrophobicContact CB-CE1 3.67Å; Q475-F536 HydrophobicContact CG-CD1 3.99Å; Q475-F536 HydrophobicContact CG-CE1 3.44Å; Q475-F536 VanDerWaalsContact CG-CE1 3.44Å; Q475-F536 HydrophobicContact CG-CZ 4.11Å
476	L	97.9	Very high	96.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	155.9	167.9	-55.5	179	0	0	0	109.4	V428 A429 A435 I474 Q478 Y480 S535	V428-L476 HydrophobicContact CG2-CD1 4.47Å; V428-L476 HydrophobicContact CG2-CD2 4.49Å; A429-L476 HydrophobicContact CB-CD2 4Å; A435-L476 HydrophobicContact CB-CD2 4.29Å; I474-L476 HydrophobicContact CG2-CD2 4.27Å; L476-Q478 VanDerWaalsContact C-N 3.32Å; L476-Q478 PolarHBondContact O-N 2.83Å; L476-Y480 HydrophobicContact CB-CD2 4.17Å; L476-Y480 HydrophobicContact CB-CE2 4.18Å; L476-Y480 HydrophobicContact CD1-CD2 3.8Å; L476-Y480 HydrophobicContact CD1-CE2 4.47Å; L476-S535 PolarHBondContact N-O 3.25Å
477	A	96.3	Very high	96.4	Very high	1 Å²	1	16 Å²	16	1%	0.008	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	-39	-178	0	0	0	0	0	112.9	R373 W375 Q376 A433 C434	R373-A477 PolarHBondContact N-O 3.01Å; R373-A477 CarbonylContact O-C 3.58Å; R373-A477 WeakPolarHBondContact O-CA 3.4Å; W375-A477 WeakPolarHBondContact O-CB 3.47Å; Q376-A477 PolarHBondContact NE2-O 2.98Å; Q376-A477 PolarHBondContact OE1-O 3.02Å; A433-A477 WeakPolarHBondContact O-CB 3.49Å; C434-A477 HydrophobicContact CB-CB 3.8Å
478	Q	97.4	Very high	96.4	Very high	3 Å²	3	14.2 Å²	14.2	1%	0.014	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	165.9	-177.8	71.1	-176.1	56.9	0	0	109.8	N377 L476 Y480	N377-Q478 PolarHBondContact O-NE2 2.8Å; N377-Q478 PolarHBondContact O-OE1 2.87Å; L476-Q478 VanDerWaalsContact C-N 3.32Å; L476-Q478 PolarHBondContact O-N 2.83Å; Q478-Y480 HydrophobicContact CG-CD1 4.37Å; Q478-Y480 HydrophobicContact CG-CD2 4.11Å; Q478-Y480 HydrophobicContact CG-CE1 3.75Å; Q478-Y480 HydrophobicContact CG-CE2 3.49Å; Q478-Y480 VanDerWaalsContact CG-CE2 3.49Å; Q478-Y480 WeakPolarHBondContact CG-OH 3.48Å; Q478-Y480 WeakPolarHBondContact O-CD2 3.46Å; Q478-Y480 WeakPolarHBondContact O-CE2 3.45Å
479	P	97.7	Very high	96.7	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	136	169.3	28.9	-36.6	0	0	0	111.8	H367 Y370 C372 L421 A534	H367-P479 WeakPolarHBondContact CE1-CG 3.5Å; Y370-P479 HydrophobicContact CD1-CB 3.41Å; Y370-P479 VanDerWaalsContact CD1-CB 3.41Å; Y370-P479 HydrophobicContact CD1-CG 3.95Å; Y370-P479 HydrophobicContact CD2-CG 4.29Å; Y370-P479 HydrophobicContact CE1-CB 3.89Å; Y370-P479 HydrophobicContact CG-CB 3.81Å; Y370-P479 HydrophobicContact CG-CG 3.8Å; C372-P479 VanDerWaalsContact SG-CD 3.6Å; L421-P479 HydrophobicContact CD1-CB 4.31Å; L421-P479 HydrophobicContact CD2-CB 3.76Å; L421-P479 HydrophobicContact CD2-CG 3.72Å; P479-A534 WeakPolarHBondContact CA-O 3.27Å
480	Y	98.2	Very high	96.9	Very high	13 Å²	13	6.1 Å²	6.1	5%	0.051	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	155.8	173.3	-65.3	-79.7	0	0	0	110.2	V422 P424 V428 L476 Q478 P533 A534	V422-Y480 HydrophobicContact CB-CD1 4.02Å; V422-Y480 HydrophobicContact CB-CE1 4.32Å; V422-Y480 HydrophobicContact CG1-CD1 4.3Å; V422-Y480 HydrophobicContact CG1-CE1 4.43Å; V422-Y480 WeakPolarHBondContact O-CA 3.36Å; P424-Y480 HydrophobicContact CB-CD1 4.34Å; P424-Y480 HydrophobicContact CG-CD1 4.26Å; P424-Y480 HydrophobicContact CG-CG 4.49Å; V428-Y480 HydrophobicContact CB-CD2 4.36Å; V428-Y480 HydrophobicContact CB-CE1 4.34Å; V428-Y480 HydrophobicContact CB-CE2 3.81Å; V428-Y480 HydrophobicContact CG1-CD1 4.35Å; V428-Y480 HydrophobicContact CG1-CE1 3.78Å; V428-Y480 HydrophobicContact CG1-CE2 4.17Å; V428-Y480 HydrophobicContact CG2-CD2 3.82Å; V428-Y480 HydrophobicContact CG2-CE2 3.78Å; V428-Y480 HydrophobicContact CG2-CG 4.17Å; L476-Y480 HydrophobicContact CB-CD2 4.17Å; L476-Y480 HydrophobicContact CB-CE2 4.18Å; L476-Y480 HydrophobicContact CD1-CD2 3.8Å; L476-Y480 HydrophobicContact CD1-CE2 4.47Å; Q478-Y480 HydrophobicContact CG-CD1 4.37Å; Q478-Y480 HydrophobicContact CG-CD2 4.11Å; Q478-Y480 HydrophobicContact CG-CE1 3.75Å; Q478-Y480 HydrophobicContact CG-CE2 3.49Å; Q478-Y480 VanDerWaalsContact CG-CE2 3.49Å; Q478-Y480 WeakPolarHBondContact CG-OH 3.48Å; Q478-Y480 WeakPolarHBondContact O-CD2 3.46Å; Q478-Y480 WeakPolarHBondContact O-CE2 3.45Å; Y480-P533 CarbonylContact O-C 3.56Å; Y480-P533 WeakPolarHBondContact O-CA 3.47Å; Y480-A534 PolarHBondContact N-O 2.9Å; Y480-A534 PolarHBondContact O-N 2.66Å
481	S	97.7	Very high	97	Very high	7 Å²	7	7.3 Å²	7.3	5%	0.049	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	108.1	164.3	-169.3	0	0	0	0	108.4	E418 V422 P424 N531	E418-S481 PolarHBondContact OE2-OG 3.08Å; V422-S481 PolarHBondContact O-N 2.99Å; P424-S481 VanDerWaalsContact CD-O 3.31Å; P424-S481 WeakPolarHBondContact CD-O 3.32Å; S481-N531 WeakPolarHBondContact OG-CB 3.43Å
482	I	96.9	Very high	96.7	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.01	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.1	-171.9	63.9	168.2	0	0	0	110.7	P424 L485 V503 F529 N531 Q532 A534 V537 C557	P424-I482 HydrophobicContact CG-CG2 4.33Å; I482-L485 HydrophobicContact CD1-CD2 4.32Å; I482-V503 HydrophobicContact CD1-CG1 4Å; I482-F529 HydrophobicContact CD1-CZ 4.43Å; I482-F529 HydrophobicContact CG1-CE2 4.38Å; I482-F529 HydrophobicContact CG1-CZ 4.37Å; I482-F529 VanDerWaalsContact O-CE2 3.24Å; I482-F529 WeakPolarHBondContact O-CE2 3.42Å; I482-N531 CarbonylContact O-C 3.57Å; I482-N531 WeakPolarHBondContact O-CA 3.2Å; I482-Q532 WeakPolarHBondContact CG1-O 3.43Å; I482-Q532 PolarHBondContact N-O 2.96Å; I482-Q532 PolarHBondContact O-N 3.35Å; I482-A534 HydrophobicContact CD1-CB 3.39Å; I482-A534 HydrophobicContact CG1-CB 3.66Å; I482-V537 HydrophobicContact CD1-CG2 4.13Å; I482-C557 WeakPolarHBondContact CG2-SG 3.46Å
483	G	96.4	Very high	96.4	Very high	14 Å²	14	13.1 Å²	13.1	14%	0.144	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	5.5	177.7	0	0	0	0	0	114.1	K528 F529 N531	G483-K528 WeakPolarHBondContact O-CA 3.3Å; G483-F529 CarbonylContact C-O 3.49Å; G483-F529 WeakPolarHBondContact CA-O 3.45Å; G483-F529 PolarHBondContact O-N 2.83Å; G483-N531 WeakPolarHBondContact CA-OD1 3.4Å; G483-N531 PolarHBondContact N-OD1 2.78Å
484	S	97.3	Very high	96.1	Very high	21 Å²	21	21 Å²	21	15%	0.147	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	150.9	174.9	70.8	0	0	0	0	111.6	L527 P558 A559	S484-L527 CarbonylContact C-O 3.54Å; S484-L527 WeakPolarHBondContact CA-O 3.46Å; S484-L527 WeakPolarHBondContact CB-O 3.43Å; S484-P558 WeakPolarHBondContact O-CA 3.34Å; S484-P558 VanDerWaalsContact OG-CB 3.24Å; S484-P558 WeakPolarHBondContact OG-CB 3.49Å; S484-A559 PolarHBondContact OG-N 3.49Å
485	L	96.9	Very high	95.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.7	179.6	-65.9	174.4	0	0	0	108.3	I482 I501 L527 F529 V537 F555 C557	I482-L485 HydrophobicContact CD1-CD2 4.32Å; L485-I501 HydrophobicContact CD1-CD1 4Å; L485-I501 HydrophobicContact CD1-CG2 3.81Å; L485-L527 HydrophobicContact CB-CB 4.4Å; L485-L527 PolarHBondContact N-O 2.79Å; L485-L527 PolarHBondContact O-N 3.01Å; L485-F529 HydrophobicContact CB-CE1 4.33Å; L485-F529 HydrophobicContact CD1-CE1 3.64Å; L485-F529 HydrophobicContact CD1-CZ 3.83Å; L485-F529 HydrophobicContact CG-CE1 3.62Å; L485-F529 HydrophobicContact CG-CZ 3.83Å; L485-V537 HydrophobicContact CD1-CG1 4.3Å; L485-F555 HydrophobicContact CB-CE2 4.45Å; L485-F555 HydrophobicContact CD1-CE2 4.44Å; L485-F555 HydrophobicContact CD2-CE2 3.83Å; L485-F555 HydrophobicContact CD2-CZ 3.49Å; L485-F555 VanDerWaalsContact CD2-CZ 3.49Å; L485-F555 HydrophobicContact CG-CE2 4.48Å; L485-C557 HydrophobicContact CD2-CB 3.42Å; L485-C557 VanDerWaalsContact CD2-CB 3.42Å; L485-C557 WeakPolarHBondContact CD2-SG 3.45Å
486	R	96.1	Very high	95.9	Very high	19 Å²	19	22 Å²	22	7%	0.072	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138.8	169.9	-168.9	-172.4	-170.9	-169.1	-5.4	109.8	W524 Q525 E556 A559 Q560 V565	R486-W524 HydrophobicContact CG-CE3 3.73Å; R486-W524 HydrophobicContact CG-CZ3 3.88Å; R486-Q525 VanDerWaalsContact CA-O 3.26Å; R486-Q525 WeakPolarHBondContact CA-O 3.41Å; R486-Q525 WeakPolarHBondContact CG-O 3.3Å; R486-E556 HydrophobicContact CB-CG 3.62Å; R486-E556 WeakPolarHBondContact CD-OE1 3.14Å; R486-E556 HydrophobicContact CG-CG 4.45Å; R486-E556 PolarHBondContact N-O 2.83Å; R486-E556 IonicContact NH1-OE1 3.24Å; R486-E556 PolarHBondContact O-N 2.82Å; R486-A559 HydrophobicContact CB-CB 3.77Å; R486-Q560 PolarHBondContact NH1-O 3.04Å; R486-V565 VanDerWaalsContact NH2-CG2 3.32Å
487	L	96.4	Very high	95.9	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145	179.4	61.2	95.9	0	0	0	110.8	L489 Y499 I501 W524 Q525 L527 H554 F555	L487-L489 HydrophobicContact CD1-CD1 4.35Å; L487-L489 HydrophobicContact CD1-CD2 3.38Å; L487-L489 HydrophobicContact CD1-CG 3.54Å; L487-Y499 HydrophobicContact CD2-CE2 3.95Å; L487-I501 HydrophobicContact CD2-CD1 3.69Å; L487-W524 WeakPolarHBondContact O-CA 3.43Å; L487-Q525 HydrophobicContact CD1-CB 3.99Å; L487-Q525 HydrophobicContact CD1-CG 4Å; L487-Q525 HydrophobicContact CG-CB 4.06Å; L487-Q525 PolarHBondContact N-O 3.28Å; L487-Q525 PolarHBondContact O-N 3.31Å; L487-L527 HydrophobicContact CD2-CD1 3.93Å; L487-H554 CarbonylContact C-O 3.5Å; L487-H554 VanDerWaalsContact CA-O 3.24Å; L487-H554 WeakPolarHBondContact CA-O 3.09Å; L487-F555 HydrophobicContact CB-CD2 4.37Å
488	L	96.8	Very high	95.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	108.4	172.2	177.3	53.4	0	0	0	108.1	T453 Y456 W524 V553 H554	T453-L488 HydrophobicContact CG2-CD2 4.42Å; Y456-L488 HydrophobicContact CE1-CD2 4.1Å; L488-W524 HydrophobicContact CB-CD2 4.01Å; L488-W524 HydrophobicContact CB-CE3 3.93Å; L488-W524 HydrophobicContact CB-CH2 4.02Å; L488-W524 HydrophobicContact CB-CZ2 4.05Å; L488-W524 HydrophobicContact CB-CZ3 3.94Å; L488-W524 HydrophobicContact CD1-CD2 3.95Å; L488-W524 HydrophobicContact CD1-CG 3.91Å; L488-W524 HydrophobicContact CD2-CH2 4.48Å; L488-W524 HydrophobicContact CD2-CZ2 3.85Å; L488-W524 HydrophobicContact CG-CD2 4.43Å; L488-W524 HydrophobicContact CG-CZ2 4.36Å; L488-V553 HydrophobicContact CB-CB 4.16Å; L488-V553 HydrophobicContact CD2-CB 4Å; L488-V553 HydrophobicContact CD2-CG1 3.75Å; L488-V553 HydrophobicContact CG-CB 3.86Å; L488-V553 HydrophobicContact CG-CG1 4.2Å; L488-V553 HydrophobicContact CG-CG2 4.35Å; L488-V553 WeakPolarHBondContact O-CB 3.48Å; L488-V553 PolarHBondContact O-N 3.32Å; L488-H554 HydrophobicContact CB-CB 3.98Å; L488-H554 PolarHBondContact N-O 3Å
489	L	96.9	Very high	96	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	153.9	168.2	-60	172.8	0	0	0	109.4	L487 D491 Y497 Y499 C521 S523 Q525 F550	L487-L489 HydrophobicContact CD1-CD1 4.35Å; L487-L489 HydrophobicContact CD1-CD2 3.38Å; L487-L489 HydrophobicContact CD1-CG 3.54Å; L489-D491 PolarHBondContact O-N 2.78Å; L489-Y497 HydrophobicContact CB-CD2 3.96Å; L489-Y497 HydrophobicContact CB-CE2 4.24Å; L489-Y497 HydrophobicContact CD1-CD2 4.07Å; L489-Y497 HydrophobicContact CD1-CG 4.48Å; L489-Y497 HydrophobicContact CD2-CD2 4.33Å; L489-Y497 HydrophobicContact CG-CD2 4.35Å; L489-Y499 HydrophobicContact CD1-CE1 4.08Å; L489-C521 HydrophobicContact CD1-CB 3.57Å; L489-S523 WeakPolarHBondContact CB-O 3.43Å; L489-S523 PolarHBondContact N-O 2.84Å; L489-Q525 HydrophobicContact CD1-CG 3.78Å; L489-Q525 HydrophobicContact CG-CG 4.17Å; L489-F550 HydrophobicContact CD2-CE1 4.41Å; L489-F550 HydrophobicContact CD2-CE2 3.99Å; L489-F550 HydrophobicContact CD2-CZ 3.58Å
490	W	95	Very high	96	Very high	5 Å²	5	24.8 Å²	24.8	2%	0.019	13%	0.131	C	C	.	.			trans	-53.1	126.9	171.4	175.6	-78.9	0	0	0	111.5	Y456 D457 W458 Y462 C492 D493 R495 Y497 H551	Y456-W490 HydrophobicContact CD2-CE3 4.24Å; Y456-W490 HydrophobicContact CD2-CZ3 4.16Å; D457-W490 WeakPolarHBondContact O-CH2 3.48Å; D457-W490 WeakPolarHBondContact O-CZ3 3.48Å; W458-W490 HydrophobicContact CE3-CH2 4Å; W458-W490 AromaticContact CE3-CZ2 3.63Å; W458-W490 HydrophobicContact CE3-CZ2 3.63Å; W458-W490 HydrophobicContact CZ3-CZ2 4.02Å; Y462-W490 AromaticContact CD1-CE3 3.91Å; Y462-W490 HydrophobicContact CD1-CE3 3.91Å; Y462-W490 AromaticContact CD1-CZ3 3.62Å; Y462-W490 HydrophobicContact CD1-CZ3 3.62Å; Y462-W490 HydrophobicContact CE1-CE3 4.33Å; Y462-W490 AromaticContact CE1-CZ3 3.8Å; Y462-W490 HydrophobicContact CE1-CZ3 3.8Å; Y462-W490 HydrophobicContact CG-CE3 4.47Å; W490-C492 HydrophobicContact CH2-CB 4.18Å; W490-C492 HydrophobicContact CZ2-CB 3.5Å; W490-C492 VanDerWaalsContact CZ2-CB 3.5Å; W490-D493 PolarHBondContact NE1-OD2 2.87Å; W490-D493 VanDerWaalsContact NE1-OD2 3.1Å; W490-R495 VanDerWaalsContact CD1-CD 3.44Å; W490-Y497 HydrophobicContact CB-CE2 4.03Å; W490-Y497 WeakPolarHBondContact CB-OH 3.46Å; W490-H551 HydrophobicContact CB-CB 3.87Å
491	D	93.6	Very high	96	Very high	55 Å²	55	24.1 Å²	24.1	29%	0.294	13%	0.129	S	C	.	.			trans	-137.7	18.8	-175.8	64.2	-5.3	0	0	0	113.5	Y456 L489 D493 S523	Y456-D491 WeakPolarHBondContact CE2-OD1 3.46Å; Y456-D491 PolarHBondContact OH-OD1 3.47Å; L489-D491 PolarHBondContact O-N 2.78Å; D491-D493 PolarHBondContact O-N 2.63Å; D491-S523 WeakPolarHBondContact OD2-CB 3.43Å; D491-S523 PolarHBondContact OD2-OG 3.47Å
492	C	92.4	Very high	96	Very high	72 Å²	72	25.3 Å²	25.3	49%	0.486	13%	0.134	S	C	.	.	S	Bend	trans	-71.3	-7.9	171.4	-55	0	0	0	0	113.3	Y456 W490	Y456-C492 VanDerWaalsContact CD2-SG 3.6Å; Y456-C492 WeakPolarHBondContact CE2-SG 3.27Å; W490-C492 HydrophobicContact CH2-CB 4.18Å; W490-C492 HydrophobicContact CZ2-CB 3.5Å; W490-C492 VanDerWaalsContact CZ2-CB 3.5Å
493	D	91.9	Very high	96.1	Very high	59 Å²	59	25.4 Å²	25.4	32%	0.316	14%	0.135	S	C	.	.	S	Bend	trans	-148.7	176.1	174.3	63.9	56.9	0	0	0	110.6	W490 D491 R495	W490-D493 PolarHBondContact NE1-OD2 2.87Å; W490-D493 VanDerWaalsContact NE1-OD2 3.1Å; D491-D493 PolarHBondContact O-N 2.63Å; D493-R495 PolarHBondContact O-N 2.84Å; D493-R495 VanDerWaalsContact O-N 3.08Å; D493-R495 WeakPolarHBondContact OD1-CB 3.3Å; D493-R495 WeakPolarHBondContact OD1-CD 3.12Å; D493-R495 WeakPolarHBondContact OD1-CG 3.19Å; D493-R495 IonicContact OD1-CZ 3.93Å; D493-R495 PolarHBondContact OD1-N 2.94Å; D493-R495 IonicContact OD1-NE 3.18Å; D493-R495 PolarHBondContact OD1-NE 3.08Å; D493-R495 IonicContact OD1-NH2 2.82Å; D493-R495 IonicContact OD2-CZ 3.02Å; D493-R495 IonicContact OD2-NE 2.88Å; D493-R495 PolarHBondContact OD2-NE 3.36Å; D493-R495 VanDerWaalsContact OD2-NE 3.13Å; D493-R495 IonicContact OD2-NH2 2.64Å; D493-R495 PolarHBondContact OD2-NH2 3.25Å
494	E	91.4	Very high	96.2	Very high	166 Å²	166	25 Å²	25	78%	0.776	13%	0.129	S	C	*	.	S	Bend	trans	-74.8	9.6	-172.4	-58.9	-64.9	152.9	0	0	114.8	Q522	E494-Q522 PolarHBondContact O-NE2 2.96Å
495	R	94	Very high	96.2	Very high	15 Å²	15	25.1 Å²	25.1	6%	0.057	13%	0.129	C	C	.	.			trans	-65.4	153.6	-179.4	73	-173.8	58.5	179.1	-7.6	111.8	W458 W490 D493 Y497 Q522 T545 A546	W458-R495 VanDerWaalsContact CH2-NH2 3.28Å; W490-R495 VanDerWaalsContact CD1-CD 3.44Å; D493-R495 PolarHBondContact O-N 2.84Å; D493-R495 VanDerWaalsContact O-N 3.08Å; D493-R495 WeakPolarHBondContact OD1-CB 3.3Å; D493-R495 WeakPolarHBondContact OD1-CD 3.12Å; D493-R495 WeakPolarHBondContact OD1-CG 3.19Å; D493-R495 IonicContact OD1-CZ 3.93Å; D493-R495 PolarHBondContact OD1-N 2.94Å; D493-R495 IonicContact OD1-NE 3.18Å; D493-R495 PolarHBondContact OD1-NE 3.08Å; D493-R495 IonicContact OD1-NH2 2.82Å; D493-R495 IonicContact OD2-CZ 3.02Å; D493-R495 IonicContact OD2-NE 2.88Å; D493-R495 PolarHBondContact OD2-NE 3.36Å; D493-R495 VanDerWaalsContact OD2-NE 3.13Å; D493-R495 IonicContact OD2-NH2 2.64Å; D493-R495 PolarHBondContact OD2-NH2 3.25Å; R495-Y497 VanDerWaalsContact CD-CZ 3.46Å; R495-Y497 WeakPolarHBondContact CD-OH 3.35Å; R495-Y497 HydrophobicContact CG-CE2 3.74Å; R495-Q522 WeakPolarHBondContact O-CG 3.48Å; R495-Q522 PolarHBondContact O-NE2 3.04Å; R495-T545 WeakPolarHBondContact CA-OG1 3.32Å; R495-A546 HydrophobicContact CB-CB 3.87Å
496	S	95.9	Very high	96	Very high	10 Å²	10	26.8 Å²	26.8	7%	0.07	14%	0.138	C	C	.	.			trans	-127.5	159.1	170.6	69.1	0	0	0	0	111.6	S520 C521 N544 T545	S496-S520 WeakPolarHBondContact CB-OG 2.93Å; S496-S520 PolarHBondContact OG-OG 3.44Å; S496-C521 CarbonylContact C-O 3.51Å; S496-C521 WeakPolarHBondContact CA-O 3.39Å; S496-C521 WeakPolarHBondContact CB-O 3Å; S496-N544 WeakPolarHBondContact O-CA 3.44Å; S496-T545 PolarHBondContact N-OG1 3.41Å; S496-T545 PolarHBondContact O-N 2.96Å; S496-T545 VanDerWaalsContact OG-CG2 3.23Å; S496-T545 WeakPolarHBondContact OG-CG2 3.43Å
497	Y	97.8	Very high	95.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	156.3	-176.8	-60.7	-87.1	0	0	0	111.6	L489 W490 R495 C521 H543 N544 F550 H551	L489-Y497 HydrophobicContact CB-CD2 3.96Å; L489-Y497 HydrophobicContact CB-CE2 4.24Å; L489-Y497 HydrophobicContact CD1-CD2 4.07Å; L489-Y497 HydrophobicContact CD1-CG 4.48Å; L489-Y497 HydrophobicContact CD2-CD2 4.33Å; L489-Y497 HydrophobicContact CG-CD2 4.35Å; W490-Y497 HydrophobicContact CB-CE2 4.03Å; W490-Y497 WeakPolarHBondContact CB-OH 3.46Å; R495-Y497 VanDerWaalsContact CD-CZ 3.46Å; R495-Y497 WeakPolarHBondContact CD-OH 3.35Å; R495-Y497 HydrophobicContact CG-CE2 3.74Å; Y497-C521 PolarHBondContact N-O 3.49Å; Y497-C521 WeakPolarHBondContact O-CB 3.44Å; Y497-C521 PolarHBondContact O-N 3.45Å; Y497-H543 VanDerWaalsContact CA-O 3.28Å; Y497-H543 WeakPolarHBondContact CA-O 3.48Å; Y497-N544 HydrophobicContact CD1-CB 3.7Å; Y497-N544 HydrophobicContact CE1-CB 3.71Å; Y497-N544 VanDerWaalsContact CE1-CG 3.42Å; Y497-N544 VanDerWaalsContact CE1-ND2 3.34Å; Y497-N544 WeakPolarHBondContact CE1-ND2 3.13Å; Y497-F550 AromaticContact CD1-CD2 3.63Å; Y497-F550 HydrophobicContact CD1-CD2 3.63Å; Y497-F550 HydrophobicContact CD1-CE2 4.03Å; Y497-F550 HydrophobicContact CD1-CG 4.45Å; Y497-F550 HydrophobicContact CE1-CD2 4.34Å; Y497-F550 HydrophobicContact CG-CD2 4.2Å; Y497-F550 HydrophobicContact CG-CE2 4.13Å; Y497-H551 WeakPolarHBondContact OH-CB 3.32Å; Y497-H551 PolarHBondContact OH-ND1 3.38Å; Y497-H551 VanDerWaalsContact OH-ND1 3.17Å
498	S	97.8	Very high	95.8	Very high	9 Å²	9	37.1 Å²	37.1	6%	0.063	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.2	163.1	-53.3	0	0	0	0	108.5	C516 V519 T542 H543	S498-C516 WeakPolarHBondContact CB-O 3.47Å; S498-V519 WeakPolarHBondContact CB-O 3.35Å; S498-V519 PolarHBondContact OG-O 3.04Å; S498-T542 PolarHBondContact O-N 3.32Å; S498-T542 PolarHBondContact O-OG1 2.83Å; S498-H543 PolarHBondContact N-O 2.89Å; S498-H543 PolarHBondContact O-N 2.68Å; S498-H543 VanDerWaalsContact O-N 3.17Å
499	Y	98.2	Very high	95.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	169.5	-173.1	61.4	-85.9	0	0	0	111.7	L487 L489 I501 C516 T517 C521 Q525 L527 V540 F550	L487-Y499 HydrophobicContact CD2-CE2 3.95Å; L489-Y499 HydrophobicContact CD1-CE1 4.08Å; Y499-I501 HydrophobicContact CD2-CD1 4.4Å; Y499-I501 HydrophobicContact CD2-CG1 3.96Å; Y499-I501 HydrophobicContact CE2-CD1 4Å; Y499-I501 HydrophobicContact CE2-CG1 4.03Å; Y499-C516 HydrophobicContact CD1-CB 4.39Å; Y499-C516 HydrophobicContact CE1-CB 4.2Å; Y499-C516 HydrophobicContact CE2-CB 4.36Å; Y499-C516 PolarHBondContact N-O 2.64Å; Y499-C516 CarbonylContact O-C 3.51Å; Y499-C516 WeakPolarHBondContact O-CA 3.43Å; Y499-C516 VanDerWaalsContact O-CB 3.28Å; Y499-C516 WeakPolarHBondContact O-CB 3.37Å; Y499-C516 PolarHBondContact O-N 2.98Å; Y499-T517 PolarHBondContact O-N 3.16Å; Y499-C521 HydrophobicContact CD1-CB 4.48Å; Y499-C521 HydrophobicContact CE1-CB 3.76Å; Y499-Q525 HydrophobicContact CE1-CG 4.49Å; Y499-Q525 WeakPolarHBondContact OH-CB 3.47Å; Y499-Q525 WeakPolarHBondContact OH-CG 3.44Å; Y499-L527 HydrophobicContact CE2-CD1 4.12Å; Y499-V540 CarbonylContact C-O 3Å; Y499-V540 WeakPolarHBondContact CA-O 3.28Å; Y499-V540 VanDerWaalsContact CB-O 3.28Å; Y499-V540 WeakPolarHBondContact CB-O 3.2Å; Y499-F550 HydrophobicContact CD1-CE2 4.04Å; Y499-F550 HydrophobicContact CD1-CZ 4.22Å; Y499-F550 HydrophobicContact CG-CE2 4.13Å; Y499-F550 HydrophobicContact CG-CZ 4.13Å
500	Y	98.3	Very high	95.8	Very high	53 Å²	53	46.6 Å²	46.6	21%	0.208	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.8	163.2	65.1	-89.5	0	0	0	109.8	E502 K512 V514 T517 V540 T542	Y500-E502 HydrophobicContact CD2-CG 3.81Å; Y500-E502 HydrophobicContact CE2-CG 3.71Å; Y500-K512 HydrophobicContact CD2-CD 4.42Å; Y500-K512 HydrophobicContact CD2-CG 4.29Å; Y500-V514 VanDerWaalsContact CA-O 3.32Å; Y500-V514 WeakPolarHBondContact CA-O 3.49Å; Y500-V514 VanDerWaalsContact CB-O 3.27Å; Y500-V514 WeakPolarHBondContact CB-O 3.05Å; Y500-T517 HydrophobicContact CD1-CG2 3.82Å; Y500-T517 HydrophobicContact CG-CG2 4.42Å; Y500-V540 HydrophobicContact CD1-CB 4.09Å; Y500-V540 HydrophobicContact CD1-CG1 4.5Å; Y500-V540 HydrophobicContact CD2-CB 4.35Å; Y500-V540 HydrophobicContact CD2-CG2 4.44Å; Y500-V540 HydrophobicContact CE1-CB 3.58Å; Y500-V540 HydrophobicContact CE1-CG1 3.65Å; Y500-V540 HydrophobicContact CE1-CG2 4.27Å; Y500-V540 HydrophobicContact CE2-CB 3.86Å; Y500-V540 HydrophobicContact CE2-CG2 3.71Å; Y500-V540 HydrophobicContact CG-CB 4.45Å; Y500-V540 VanDerWaalsContact CZ-CB 3.46Å; Y500-V540 PolarHBondContact N-O 3.25Å; Y500-V540 PolarHBondContact O-N 2.79Å; Y500-T542 HydrophobicContact CD1-CG2 3.75Å; Y500-T542 HydrophobicContact CE1-CG2 3.84Å
501	I	98.5	Very high	95.9	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.1	179	-54.2	-179	0	0	0	109.3	L485 L487 Y499 K512 V513 V514 L527 V537 R538 I539	L485-I501 HydrophobicContact CD1-CD1 4Å; L485-I501 HydrophobicContact CD1-CG2 3.81Å; L487-I501 HydrophobicContact CD2-CD1 3.69Å; Y499-I501 HydrophobicContact CD2-CD1 4.4Å; Y499-I501 HydrophobicContact CD2-CG1 3.96Å; Y499-I501 HydrophobicContact CE2-CD1 4Å; Y499-I501 HydrophobicContact CE2-CG1 4.03Å; I501-K512 WeakPolarHBondContact O-CA 3.44Å; I501-V513 HydrophobicContact CB-CG2 4.3Å; I501-V513 HydrophobicContact CG2-CG2 4.13Å; I501-V513 WeakPolarHBondContact O-CG2 3.41Å; I501-V513 PolarHBondContact O-N 3.29Å; I501-V514 HydrophobicContact CB-CB 4.13Å; I501-V514 HydrophobicContact CG1-CB 4.36Å; I501-V514 PolarHBondContact N-O 2.92Å; I501-V514 PolarHBondContact O-N 3.38Å; I501-L527 HydrophobicContact CD1-CD1 3.54Å; I501-V537 HydrophobicContact CG2-CG1 3.57Å; I501-R538 CarbonylContact C-O 3.56Å; I501-R538 VanDerWaalsContact CA-O 3.32Å; I501-R538 WeakPolarHBondContact CA-O 3.43Å; I501-R538 WeakPolarHBondContact CG2-O 3.36Å; I501-I539 HydrophobicContact CG1-CG1 4.4Å; I501-I539 HydrophobicContact CG1-CG2 4.48Å
502	E	98.4	Very high	96.1	Very high	31 Å²	31	53.2 Å²	53.2	15%	0.145	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150.5	173.2	-54.4	178.7	144.2	0	0	110.7	Y500 W510 M511 K512 V537 R538	Y500-E502 HydrophobicContact CD2-CG 3.81Å; Y500-E502 HydrophobicContact CE2-CG 3.71Å; E502-W510 HydrophobicContact CB-CB 4.2Å; E502-W510 HydrophobicContact CB-CD2 4.49Å; E502-W510 HydrophobicContact CB-CE3 3.72Å; E502-M511 CarbonylContact C-O 3.54Å; E502-M511 WeakPolarHBondContact CA-O 3.43Å; E502-K512 HydrophobicContact CG-CB 4.26Å; E502-V537 WeakPolarHBondContact O-CA 3.45Å; E502-R538 HydrophobicContact CB-CB 4.42Å; E502-R538 PolarHBondContact N-O 3.34Å; E502-R538 PolarHBondContact O-N 2.5Å; E502-R538 IonicContact OE2-NH1 3.18Å; E502-R538 PolarHBondContact OE2-NH1 2.7Å; E502-R538 VanDerWaalsContact OE2-NH1 3.16Å
503	V	98.3	Very high	96.3	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.03	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	152.5	171.7	-58.4	0	0	0	0	110.3	I482 M511 V513 Q532 A534 F536 V537	I482-V503 HydrophobicContact CD1-CG1 4Å; V503-M511 HydrophobicContact CG2-CB 4.36Å; V503-M511 PolarHBondContact N-O 3.24Å; V503-M511 PolarHBondContact O-N 3.22Å; V503-V513 HydrophobicContact CG1-CG1 4.15Å; V503-V513 HydrophobicContact CG1-CG2 3.84Å; V503-V513 HydrophobicContact CG2-CG1 3.64Å; V503-Q532 HydrophobicContact CG2-CB 4.03Å; V503-A534 HydrophobicContact CB-CB 3.9Å; V503-A534 HydrophobicContact CG1-CB 4.18Å; V503-F536 WeakPolarHBondContact CA-O 3.37Å; V503-V537 HydrophobicContact CG1-CG2 4.4Å
504	S	98.1	Very high	96.6	Very high	4 Å²	4	49 Å²	49	3%	0.028	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	154.5	176.9	-175.1	0	0	0	0	111.2	N506 Q507 Q509 S535 F536	S504-N506 PolarHBondContact OG-N 2.81Å; S504-N506 PolarHBondContact OG-OD1 3.5Å; S504-Q507 WeakPolarHBondContact OG-CA 3.49Å; S504-Q507 PolarHBondContact OG-N 3.45Å; S504-Q509 WeakPolarHBondContact CB-O 3.29Å; S504-Q509 PolarHBondContact OG-O 3.08Å; S504-S535 PolarHBondContact O-N 2.61Å; S504-F536 PolarHBondContact N-O 3.02Å; S504-F536 PolarHBondContact O-N 3.15Å
505	T	97	Very high	96.9	Very high	25 Å²	25	45 Å²	45	15%	0.153	22%	0.216	C	C	.	.	S	Bend	trans	-100.1	-17.5	171.8	55.5	0	0	0	0	112.6	Y370 L371 P533	Y370-T505 WeakPolarHBondContact CA-O 3.14Å; Y370-T505 HydrophobicContact CD1-CG2 3.53Å; Y370-T505 HydrophobicContact CE1-CG2 3.5Å; Y370-T505 VanDerWaalsContact CE1-CG2 3.5Å; L371-T505 PolarHBondContact N-O 2.82Å; T505-P533 HydrophobicContact CG2-CB 3.97Å; T505-P533 HydrophobicContact CG2-CG 4.29Å; T505-P533 WeakPolarHBondContact CG2-O 3.38Å
506	N	93.8	Very high	97	Very high	34 Å²	34	44.7 Å²	44.7	18%	0.182	22%	0.216	C	C	.	.	S	Bend	trans	-143	5.1	-167.7	64.7	17.3	0	0	0	115.1	L371 S504 Q508 Q509	L371-N506 WeakPolarHBondContact CD1-O 3.47Å; S504-N506 PolarHBondContact OG-N 2.81Å; S504-N506 PolarHBondContact OG-OD1 3.5Å; N506-Q508 PolarHBondContact O-N 2.85Å; N506-Q508 PolarHBondContact OD1-N 3.01Å; N506-Q509 PolarHBondContact OD1-N 3.11Å
507	Q	94.4	Very high	97	Very high	68 Å²	68	46.4 Å²	46.4	32%	0.318	23%	0.226	S	C	.	.	S	Bend	trans	61.8	-2.3	-174.4	-55.8	-174.4	44.9	0	0	116.5	S504 W510 F536	S504-Q507 WeakPolarHBondContact OG-CA 3.49Å; S504-Q507 PolarHBondContact OG-N 3.45Å; Q507-W510 HydrophobicContact CB-CZ2 4.21Å; Q507-W510 HydrophobicContact CG-CZ2 4.4Å; Q507-W510 PolarHBondContact O-NE1 2.63Å; Q507-F536 HydrophobicContact CG-CD1 3.67Å; Q507-F536 HydrophobicContact CG-CD2 3.63Å; Q507-F536 HydrophobicContact CG-CE1 3.6Å; Q507-F536 HydrophobicContact CG-CE2 3.58Å; Q507-F536 HydrophobicContact CG-CG 3.7Å; Q507-F536 HydrophobicContact CG-CZ 3.57Å
508	Q	93	Very high	96.9	Very high	169 Å²	169	58 Å²	58	79%	0.79	27%	0.27	S	S	*	.	S	Bend	trans	-96.1	-44.3	178.5	-62.8	179	4.1	0	0	111	N506	N506-Q508 PolarHBondContact O-N 2.85Å; N506-Q508 PolarHBondContact OD1-N 3.01Å
509	Q	95.7	Very high	96.8	Very high	143 Å²	143	59.8 Å²	59.8	67%	0.668	28%	0.281	S	S	*	.	S	Bend	trans	-105	123.3	179.8	-66.8	177.3	-23.6	0	0	109.4	S504 N506	S504-Q509 WeakPolarHBondContact CB-O 3.29Å; S504-Q509 PolarHBondContact OG-O 3.08Å; N506-Q509 PolarHBondContact OD1-N 3.11Å
510	W	97.5	Very high	96.6	Very high	55 Å²	55	63.6 Å²	63.6	21%	0.208	31%	0.307	C	S	.	.			trans	-118.2	133.7	-178.1	-68.1	87.6	0	0	0	109.8	V473 E502 Q507 F536 R538	V473-W510 HydrophobicContact CG1-CH2 3.98Å; E502-W510 HydrophobicContact CB-CB 4.2Å; E502-W510 HydrophobicContact CB-CD2 4.49Å; E502-W510 HydrophobicContact CB-CE3 3.72Å; Q507-W510 HydrophobicContact CB-CZ2 4.21Å; Q507-W510 HydrophobicContact CG-CZ2 4.4Å; Q507-W510 PolarHBondContact O-NE1 2.63Å; W510-F536 HydrophobicContact CH2-CB 3.71Å; W510-F536 HydrophobicContact CZ3-CB 4.14Å; W510-R538 VanDerWaalsContact CD2-NH1 3.27Å; W510-R538 VanDerWaalsContact CE2-NH1 3.29Å; W510-R538 HydrophobicContact CE3-CB 3.84Å; W510-R538 VanDerWaalsContact CG-NH1 3.33Å; W510-R538 HydrophobicContact CH2-CB 3.77Å; W510-R538 VanDerWaalsContact CZ2-CZ 3.44Å; W510-R538 HydrophobicContact CZ3-CB 3.3Å; W510-R538 HydrophobicContact CZ3-CG 4.5Å
511	M	97.5	Very high	96.5	Very high	98 Å²	98	61.1 Å²	61.1	48%	0.483	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.6	175	-178.1	-179.6	-67.2	0	0	108.9	E502 V503 V513 Q532	E502-M511 CarbonylContact C-O 3.54Å; E502-M511 WeakPolarHBondContact CA-O 3.43Å; V503-M511 HydrophobicContact CG2-CB 4.36Å; V503-M511 PolarHBondContact N-O 3.24Å; V503-M511 PolarHBondContact O-N 3.22Å; M511-V513 PolarHBondContact O-N 2.9Å; M511-Q532 VanDerWaalsContact SD-CD 3.59Å; M511-Q532 HydrophobicContact SD-CG 3.97Å; M511-Q532 PolarHBondContact SD-OE1 3.47Å; M511-Q532 VanDerWaalsContact SD-OE1 3.4Å
512	K	97.9	Very high	96.3	Very high	102 Å²	102	64.6 Å²	64.6	44%	0.443	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	119	172.5	-171.5	-171.8	-67.3	-178.7	0	109.7	Y500 I501 E502 D515	Y500-K512 HydrophobicContact CD2-CD 4.42Å; Y500-K512 HydrophobicContact CD2-CG 4.29Å; I501-K512 WeakPolarHBondContact O-CA 3.44Å; E502-K512 HydrophobicContact CG-CB 4.26Å; K512-D515 HydrophobicContact CD-CB 3.91Å; K512-D515 WeakPolarHBondContact CD-OD2 3.06Å; K512-D515 IonicContact NZ-OD2 3.87Å; K512-D515 PolarHBondContact NZ-OD2 3.49Å
513	V	97.9	Very high	96.1	Very high	27 Å²	27	64.1 Å²	64.1	16%	0.164	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-23	-179.6	-68.9	0	0	0	0	113	I501 V503 M511 F529 Q532	I501-V513 HydrophobicContact CB-CG2 4.3Å; I501-V513 HydrophobicContact CG2-CG2 4.13Å; I501-V513 WeakPolarHBondContact O-CG2 3.41Å; I501-V513 PolarHBondContact O-N 3.29Å; V503-V513 HydrophobicContact CG1-CG1 4.15Å; V503-V513 HydrophobicContact CG1-CG2 3.84Å; V503-V513 HydrophobicContact CG2-CG1 3.64Å; M511-V513 PolarHBondContact O-N 2.9Å; V513-F529 HydrophobicContact CB-CD1 4.28Å; V513-F529 HydrophobicContact CB-CD2 3.69Å; V513-F529 HydrophobicContact CB-CE1 4.44Å; V513-F529 HydrophobicContact CB-CE2 3.89Å; V513-F529 HydrophobicContact CB-CG 3.93Å; V513-F529 HydrophobicContact CB-CZ 4.27Å; V513-F529 HydrophobicContact CG1-CD2 3.88Å; V513-F529 HydrophobicContact CG1-CE2 3.94Å; V513-F529 HydrophobicContact CG2-CD1 4.44Å; V513-F529 HydrophobicContact CG2-CD2 4.36Å; V513-F529 HydrophobicContact CG2-CE1 4.19Å; V513-F529 HydrophobicContact CG2-CE2 4.12Å; V513-F529 HydrophobicContact CG2-CZ 4.04Å; V513-Q532 HydrophobicContact CG1-CB 4.42Å; V513-Q532 HydrophobicContact CG1-CG 3.93Å
514	V	97.6	Very high	96	Very high	15 Å²	15	65.2 Å²	65.2	9%	0.091	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.4	177	176.6	0	0	0	0	109.3	Y500 I501 L527 F529	Y500-V514 VanDerWaalsContact CA-O 3.32Å; Y500-V514 WeakPolarHBondContact CA-O 3.49Å; Y500-V514 VanDerWaalsContact CB-O 3.27Å; Y500-V514 WeakPolarHBondContact CB-O 3.05Å; I501-V514 HydrophobicContact CB-CB 4.13Å; I501-V514 HydrophobicContact CG1-CB 4.36Å; I501-V514 PolarHBondContact N-O 2.92Å; I501-V514 PolarHBondContact O-N 3.38Å; V514-L527 HydrophobicContact CG1-CD1 4.1Å; V514-L527 HydrophobicContact CG1-CD2 4.06Å; V514-L527 HydrophobicContact CG2-CB 4.12Å; V514-L527 HydrophobicContact CG2-CD1 4.19Å; V514-F529 HydrophobicContact CG2-CD1 3.93Å; V514-F529 HydrophobicContact CG2-CE1 4.35Å
515	D	97.4	Very high	95.9	Very high	81 Å²	81	65.3 Å²	65.3	43%	0.433	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	100.2	173.5	-160.4	-38.1	0	0	0	110.9	K512 T517	K512-D515 HydrophobicContact CD-CB 3.91Å; K512-D515 WeakPolarHBondContact CD-OD2 3.06Å; K512-D515 IonicContact NZ-OD2 3.87Å; K512-D515 PolarHBondContact NZ-OD2 3.49Å; D515-T517 VanDerWaalsContact OD1-CB 3.29Å; D515-T517 WeakPolarHBondContact OD1-CB 3.31Å; D515-T517 WeakPolarHBondContact OD1-CG2 3.46Å; D515-T517 PolarHBondContact OD1-N 3.17Å; D515-T517 VanDerWaalsContact OD1-N 3.09Å; D515-T517 PolarHBondContact OD1-OG1 2.96Å
516	C	96.9	Very high	95.8	Very high	9 Å²	9	66.3 Å²	66.3	6%	0.061	32%	0.324	C	S	.	.			trans	-109.4	24.8	174.5	-65.2	0	0	0	0	111.1	S498 Y499 R518 V519	S498-C516 WeakPolarHBondContact CB-O 3.47Å; Y499-C516 HydrophobicContact CD1-CB 4.39Å; Y499-C516 HydrophobicContact CE1-CB 4.2Å; Y499-C516 HydrophobicContact CE2-CB 4.36Å; Y499-C516 PolarHBondContact N-O 2.64Å; Y499-C516 CarbonylContact O-C 3.51Å; Y499-C516 WeakPolarHBondContact O-CA 3.43Å; Y499-C516 VanDerWaalsContact O-CB 3.28Å; Y499-C516 WeakPolarHBondContact O-CB 3.37Å; Y499-C516 PolarHBondContact O-N 2.98Å; C516-R518 PolarHBondContact O-N 2.77Å; C516-R518 VanDerWaalsContact O-N 3.14Å; C516-V519 HydrophobicContact CB-CB 4.22Å; C516-V519 PolarHBondContact O-N 3.3Å; C516-V519 VanDerWaalsContact O-N 3.12Å
517	T	96.1	Very high	95.9	Very high	47 Å²	47	65.6 Å²	65.6	29%	0.288	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.5	-173.7	56.7	0	0	0	0	114.1	Y499 Y500 D515 T542	Y499-T517 PolarHBondContact O-N 3.16Å; Y500-T517 HydrophobicContact CD1-CG2 3.82Å; Y500-T517 HydrophobicContact CG-CG2 4.42Å; D515-T517 VanDerWaalsContact OD1-CB 3.29Å; D515-T517 WeakPolarHBondContact OD1-CB 3.31Å; D515-T517 WeakPolarHBondContact OD1-CG2 3.46Å; D515-T517 PolarHBondContact OD1-N 3.17Å; D515-T517 VanDerWaalsContact OD1-N 3.09Å; D515-T517 PolarHBondContact OD1-OG1 2.96Å; T517-T542 HydrophobicContact CG2-CG2 3.86Å
518	R	94.5	Very high	96	Very high	242 Å²	242	69.9 Å²	69.9	91%	0.913	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	8.9	177.9	-57.6	-177.5	-176	-171.2	0.6	113	C516	C516-R518 PolarHBondContact O-N 2.77Å; C516-R518 VanDerWaalsContact O-N 3.14Å
519	V	95.2	Very high	96.1	Very high	47 Å²	47	63.5 Å²	63.5	29%	0.285	31%	0.307	S	S	.	.	S	Bend	trans	-109.3	136.4	-177.5	-174.4	0	0	0	0	108.4	S498 C516	S498-V519 WeakPolarHBondContact CB-O 3.35Å; S498-V519 PolarHBondContact OG-O 3.04Å; C516-V519 HydrophobicContact CB-CB 4.22Å; C516-V519 PolarHBondContact O-N 3.3Å; C516-V519 VanDerWaalsContact O-N 3.12Å
520	S	94.9	Very high	96.1	Very high	80 Å²	80	64.3 Å²	64.3	56%	0.559	31%	0.311	S	S	*	.			trans	-86.1	107.1	170.6	177.3	0	0	0	0	108.1	S496	S496-S520 WeakPolarHBondContact CB-OG 2.93Å; S496-S520 PolarHBondContact OG-OG 3.44Å
521	C	95.7	Very high	96.1	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.007	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-107.8	140.8	-176.5	-65.1	0	0	0	0	110.8	L489 S496 Y497 Y499 Q525	L489-C521 HydrophobicContact CD1-CB 3.57Å; S496-C521 CarbonylContact C-O 3.51Å; S496-C521 WeakPolarHBondContact CA-O 3.39Å; S496-C521 WeakPolarHBondContact CB-O 3Å; Y497-C521 PolarHBondContact N-O 3.49Å; Y497-C521 WeakPolarHBondContact O-CB 3.44Å; Y497-C521 PolarHBondContact O-N 3.45Å; Y499-C521 HydrophobicContact CD1-CB 4.48Å; Y499-C521 HydrophobicContact CE1-CB 3.76Å; C521-Q525 HydrophobicContact CB-CG 4.28Å; C521-Q525 PolarHBondContact SG-OE1 2.85Å; C521-Q525 VanDerWaalsContact SG-OE1 3.37Å
522	Q	94.8	Very high	96	Very high	74 Å²	74	62.1 Å²	62.1	35%	0.346	30%	0.304	S	S	.	.			trans	-142.7	149.3	179.2	-65.7	-172.9	-23.1	0	0	110.8	E494 R495 W524 Q525	E494-Q522 PolarHBondContact O-NE2 2.96Å; R495-Q522 WeakPolarHBondContact O-CG 3.48Å; R495-Q522 PolarHBondContact O-NE2 3.04Å; Q522-W524 PolarHBondContact O-N 3.11Å; Q522-Q525 PolarHBondContact O-NE2 2.96Å
523	S	95.1	Very high	96	Very high	21 Å²	21	59.5 Å²	59.5	15%	0.147	30%	0.297	C	S	.	.	S	Bend	trans	51.3	-140.3	178.1	-167.8	0	0	0	0	112	L489 D491	L489-S523 WeakPolarHBondContact CB-O 3.43Å; L489-S523 PolarHBondContact N-O 2.84Å; D491-S523 WeakPolarHBondContact OD2-CB 3.43Å; D491-S523 PolarHBondContact OD2-OG 3.47Å
524	W	95.6	Very high	96	Very high	28 Å²	28	58.2 Å²	58.2	11%	0.106	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	130.6	-177.5	-74.7	97.9	0	0	0	113.9	T453 R486 L487 L488 Q522 H554 V565	T453-W524 HydrophobicContact CG2-CH2 3.59Å; T453-W524 HydrophobicContact CG2-CZ2 3.58Å; R486-W524 HydrophobicContact CG-CE3 3.73Å; R486-W524 HydrophobicContact CG-CZ3 3.88Å; L487-W524 WeakPolarHBondContact O-CA 3.43Å; L488-W524 HydrophobicContact CB-CD2 4.01Å; L488-W524 HydrophobicContact CB-CE3 3.93Å; L488-W524 HydrophobicContact CB-CH2 4.02Å; L488-W524 HydrophobicContact CB-CZ2 4.05Å; L488-W524 HydrophobicContact CB-CZ3 3.94Å; L488-W524 HydrophobicContact CD1-CD2 3.95Å; L488-W524 HydrophobicContact CD1-CG 3.91Å; L488-W524 HydrophobicContact CD2-CH2 4.48Å; L488-W524 HydrophobicContact CD2-CZ2 3.85Å; L488-W524 HydrophobicContact CG-CD2 4.43Å; L488-W524 HydrophobicContact CG-CZ2 4.36Å; Q522-W524 PolarHBondContact O-N 3.11Å; W524-H554 AromaticContact CH2-CD2 3.56Å; W524-H554 AromaticContact CZ3-CD2 3.82Å; W524-V565 HydrophobicContact CB-CG1 4.07Å; W524-V565 HydrophobicContact CD2-CG1 4.23Å; W524-V565 HydrophobicContact CG-CG1 3.52Å
525	Q	95.8	Very high	96	Very high	5 Å²	5	57.5 Å²	57.5	2%	0.023	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	116.4	176.4	-54.6	-64.4	-63.7	0	0	109	R486 L487 L489 Y499 C521 Q522 G568	R486-Q525 VanDerWaalsContact CA-O 3.26Å; R486-Q525 WeakPolarHBondContact CA-O 3.41Å; R486-Q525 WeakPolarHBondContact CG-O 3.3Å; L487-Q525 HydrophobicContact CD1-CB 3.99Å; L487-Q525 HydrophobicContact CD1-CG 4Å; L487-Q525 HydrophobicContact CG-CB 4.06Å; L487-Q525 PolarHBondContact N-O 3.28Å; L487-Q525 PolarHBondContact O-N 3.31Å; L489-Q525 HydrophobicContact CD1-CG 3.78Å; L489-Q525 HydrophobicContact CG-CG 4.17Å; Y499-Q525 HydrophobicContact CE1-CG 4.49Å; Y499-Q525 WeakPolarHBondContact OH-CB 3.47Å; Y499-Q525 WeakPolarHBondContact OH-CG 3.44Å; C521-Q525 HydrophobicContact CB-CG 4.28Å; C521-Q525 PolarHBondContact SG-OE1 2.85Å; C521-Q525 VanDerWaalsContact SG-OE1 3.37Å; Q522-Q525 PolarHBondContact O-NE2 2.96Å; Q525-G568 PolarHBondContact NE2-O 3.12Å; Q525-G568 VanDerWaalsContact NE2-O 3.1Å
526	T	95.6	Very high	96.1	Very high	47 Å²	47	53.6 Å²	53.6	29%	0.288	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.6	175.1	-57	0	0	0	0	108.7	A559	T526-A559 HydrophobicContact CG2-CB 4.1Å
527	L	95.5	Very high	96.1	Very high	19 Å²	19	53.2 Å²	53.2	10%	0.099	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.3	-169.6	-54.3	167.6	0	0	0	109.3	S484 L485 L487 Y499 I501 V514	S484-L527 CarbonylContact C-O 3.54Å; S484-L527 WeakPolarHBondContact CA-O 3.46Å; S484-L527 WeakPolarHBondContact CB-O 3.43Å; L485-L527 HydrophobicContact CB-CB 4.4Å; L485-L527 PolarHBondContact N-O 2.79Å; L485-L527 PolarHBondContact O-N 3.01Å; L487-L527 HydrophobicContact CD2-CD1 3.93Å; Y499-L527 HydrophobicContact CE2-CD1 4.12Å; I501-L527 HydrophobicContact CD1-CD1 3.54Å; V514-L527 HydrophobicContact CG1-CD1 4.1Å; V514-L527 HydrophobicContact CG1-CD2 4.06Å; V514-L527 HydrophobicContact CG2-CB 4.12Å; V514-L527 HydrophobicContact CG2-CD1 4.19Å
528	K	95.6	Very high	96.2	Very high	157 Å²	157	53.3 Å²	53.3	68%	0.683	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.4	176.1	-65.3	-176.7	-179.4	178.3	0	109.7	G483	G483-K528 WeakPolarHBondContact O-CA 3.3Å
529	F	96.3	Very high	96.4	Very high	35 Å²	35	41.8 Å²	41.8	15%	0.154	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	171.3	179.1	49.8	-86.3	0	0	0	109.3	I482 G483 L485 V513 V514	I482-F529 HydrophobicContact CD1-CZ 4.43Å; I482-F529 HydrophobicContact CG1-CE2 4.38Å; I482-F529 HydrophobicContact CG1-CZ 4.37Å; I482-F529 VanDerWaalsContact O-CE2 3.24Å; I482-F529 WeakPolarHBondContact O-CE2 3.42Å; G483-F529 CarbonylContact C-O 3.49Å; G483-F529 WeakPolarHBondContact CA-O 3.45Å; G483-F529 PolarHBondContact O-N 2.83Å; L485-F529 HydrophobicContact CB-CE1 4.33Å; L485-F529 HydrophobicContact CD1-CE1 3.64Å; L485-F529 HydrophobicContact CD1-CZ 3.83Å; L485-F529 HydrophobicContact CG-CE1 3.62Å; L485-F529 HydrophobicContact CG-CZ 3.83Å; V513-F529 HydrophobicContact CB-CD1 4.28Å; V513-F529 HydrophobicContact CB-CD2 3.69Å; V513-F529 HydrophobicContact CB-CE1 4.44Å; V513-F529 HydrophobicContact CB-CE2 3.89Å; V513-F529 HydrophobicContact CB-CG 3.93Å; V513-F529 HydrophobicContact CB-CZ 4.27Å; V513-F529 HydrophobicContact CG1-CD2 3.88Å; V513-F529 HydrophobicContact CG1-CE2 3.94Å; V513-F529 HydrophobicContact CG2-CD1 4.44Å; V513-F529 HydrophobicContact CG2-CD2 4.36Å; V513-F529 HydrophobicContact CG2-CE1 4.19Å; V513-F529 HydrophobicContact CG2-CE2 4.12Å; V513-F529 HydrophobicContact CG2-CZ 4.04Å; V514-F529 HydrophobicContact CG2-CD1 3.93Å; V514-F529 HydrophobicContact CG2-CE1 4.35Å
530	E	95.4	Very high	96.6	Very high	161 Å²	161	40.3 Å²	40.3	75%	0.752	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60	141.9	174.5	-66.7	-174.9	167.7	0	0	110.6	Q532	E530-Q532 WeakPolarHBondContact O-CG 3.33Å; E530-Q532 PolarHBondContact O-N 2.91Å
531	N	96.3	Very high	96.7	Very high	65 Å²	65	36.6 Å²	36.6	35%	0.348	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	124.8	-180	-79.1	-3.6	0	0	0	111.3	E418 S481 I482 G483	E418-N531 WeakPolarHBondContact OE2-CB 3.15Å; E418-N531 PolarHBondContact OE2-ND2 3.07Å; S481-N531 WeakPolarHBondContact OG-CB 3.43Å; I482-N531 CarbonylContact O-C 3.57Å; I482-N531 WeakPolarHBondContact O-CA 3.2Å; G483-N531 WeakPolarHBondContact CA-OD1 3.4Å; G483-N531 PolarHBondContact N-OD1 2.78Å
532	Q	97	Very high	96.8	Very high	41 Å²	41	39.3 Å²	39.3	19%	0.192	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.6	177.2	-66.2	-55.3	-38.9	0	0	111	I482 V503 M511 V513 E530 A534	I482-Q532 WeakPolarHBondContact CG1-O 3.43Å; I482-Q532 PolarHBondContact N-O 2.96Å; I482-Q532 PolarHBondContact O-N 3.35Å; V503-Q532 HydrophobicContact CG2-CB 4.03Å; M511-Q532 VanDerWaalsContact SD-CD 3.59Å; M511-Q532 HydrophobicContact SD-CG 3.97Å; M511-Q532 PolarHBondContact SD-OE1 3.47Å; M511-Q532 VanDerWaalsContact SD-OE1 3.4Å; V513-Q532 HydrophobicContact CG1-CB 4.42Å; V513-Q532 HydrophobicContact CG1-CG 3.93Å; E530-Q532 WeakPolarHBondContact O-CG 3.33Å; E530-Q532 PolarHBondContact O-N 2.91Å; Q532-A534 PolarHBondContact O-N 2.78Å
533	P	97.4	Very high	96.9	Very high	47 Å²	47	40.2 Å²	40.2	31%	0.305	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	125.9	171.9	28.7	-34	0	0	0	110.6	Y370 L421 Y480 T505	Y370-P533 HydrophobicContact CE1-CB 4.2Å; L421-P533 HydrophobicContact CD1-CB 3.54Å; Y480-P533 CarbonylContact O-C 3.56Å; Y480-P533 WeakPolarHBondContact O-CA 3.47Å; T505-P533 HydrophobicContact CG2-CB 3.97Å; T505-P533 HydrophobicContact CG2-CG 4.29Å; T505-P533 WeakPolarHBondContact CG2-O 3.38Å
534	A	97.7	Very high	96.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	129.5	-179.2	0	0	0	0	0	112.2	P479 Y480 I482 V503 Q532	P479-A534 WeakPolarHBondContact CA-O 3.27Å; Y480-A534 PolarHBondContact N-O 2.9Å; Y480-A534 PolarHBondContact O-N 2.66Å; I482-A534 HydrophobicContact CD1-CB 3.39Å; I482-A534 HydrophobicContact CG1-CB 3.66Å; V503-A534 HydrophobicContact CB-CB 3.9Å; V503-A534 HydrophobicContact CG1-CB 4.18Å; Q532-A534 PolarHBondContact O-N 2.78Å
535	S	97.6	Very high	97	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-19.1	161.9	-56.6	0	0	0	0	111.1	L476 S504	L476-S535 PolarHBondContact N-O 3.25Å; S504-S535 PolarHBondContact O-N 2.61Å
536	F	98.4	Very high	96.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144.8	178.7	-53.9	-88.8	0	0	0	110.6	L371 I438 I474 Q475 V503 S504 Q507 W510	L371-F536 HydrophobicContact CB-CE2 3.8Å; L371-F536 HydrophobicContact CB-CZ 3.77Å; L371-F536 HydrophobicContact CD1-CE2 4.16Å; L371-F536 HydrophobicContact CD1-CZ 4.1Å; L371-F536 HydrophobicContact CG-CE2 4.45Å; I438-F536 HydrophobicContact CD1-CD1 3.93Å; I438-F536 HydrophobicContact CD1-CE1 3.97Å; I474-F536 CarbonylContact O-C 3.56Å; I474-F536 WeakPolarHBondContact O-CA 3.26Å; Q475-F536 HydrophobicContact CB-CD1 3.8Å; Q475-F536 HydrophobicContact CB-CE1 3.67Å; Q475-F536 HydrophobicContact CG-CD1 3.99Å; Q475-F536 HydrophobicContact CG-CE1 3.44Å; Q475-F536 VanDerWaalsContact CG-CE1 3.44Å; Q475-F536 HydrophobicContact CG-CZ 4.11Å; V503-F536 WeakPolarHBondContact CA-O 3.37Å; S504-F536 PolarHBondContact N-O 3.02Å; S504-F536 PolarHBondContact O-N 3.15Å; Q507-F536 HydrophobicContact CG-CD1 3.67Å; Q507-F536 HydrophobicContact CG-CD2 3.63Å; Q507-F536 HydrophobicContact CG-CE1 3.6Å; Q507-F536 HydrophobicContact CG-CE2 3.58Å; Q507-F536 HydrophobicContact CG-CG 3.7Å; Q507-F536 HydrophobicContact CG-CZ 3.57Å; W510-F536 HydrophobicContact CH2-CB 3.71Å; W510-F536 HydrophobicContact CZ3-CB 4.14Å
537	V	98.5	Very high	96.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.2	171.1	-175.1	0	0	0	0	108.1	V473 I474 I482 L485 I501 E502 V503 F555	V473-V537 CarbonylContact C-O 3.58Å; V473-V537 WeakPolarHBondContact CA-O 3.44Å; I474-V537 PolarHBondContact N-O 3.24Å; I474-V537 PolarHBondContact O-N 3.39Å; I482-V537 HydrophobicContact CD1-CG2 4.13Å; L485-V537 HydrophobicContact CD1-CG1 4.3Å; I501-V537 HydrophobicContact CG2-CG1 3.57Å; E502-V537 WeakPolarHBondContact O-CA 3.45Å; V503-V537 HydrophobicContact CG1-CG2 4.4Å; V537-F555 HydrophobicContact CB-CZ 4.07Å; V537-F555 HydrophobicContact CG1-CE2 4.08Å; V537-F555 HydrophobicContact CG1-CZ 3.77Å; V537-F555 HydrophobicContact CG2-CZ 4.13Å
538	R	98.4	Very high	96.8	Very high	49 Å²	49	50.5 Å²	50.5	19%	0.185	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.6	177.1	177.6	-174.3	-71.1	154.4	-6.3	109.5	A471 I472 V473 I501 E502 W510 V540	A471-R538 HydrophobicContact CB-CG 3.71Å; I472-R538 CarbonylContact O-C 3.54Å; I472-R538 WeakPolarHBondContact O-CA 3.38Å; V473-R538 HydrophobicContact CG2-CB 4.05Å; V473-R538 HydrophobicContact CG2-CG 3.87Å; I501-R538 CarbonylContact C-O 3.56Å; I501-R538 VanDerWaalsContact CA-O 3.32Å; I501-R538 WeakPolarHBondContact CA-O 3.43Å; I501-R538 WeakPolarHBondContact CG2-O 3.36Å; E502-R538 HydrophobicContact CB-CB 4.42Å; E502-R538 PolarHBondContact N-O 3.34Å; E502-R538 PolarHBondContact O-N 2.5Å; E502-R538 IonicContact OE2-NH1 3.18Å; E502-R538 PolarHBondContact OE2-NH1 2.7Å; E502-R538 VanDerWaalsContact OE2-NH1 3.16Å; W510-R538 VanDerWaalsContact CD2-NH1 3.27Å; W510-R538 VanDerWaalsContact CE2-NH1 3.29Å; W510-R538 HydrophobicContact CE3-CB 3.84Å; W510-R538 VanDerWaalsContact CG-NH1 3.33Å; W510-R538 HydrophobicContact CH2-CB 3.77Å; W510-R538 VanDerWaalsContact CZ2-CZ 3.44Å; W510-R538 HydrophobicContact CZ3-CB 3.3Å; W510-R538 HydrophobicContact CZ3-CG 4.5Å; R538-V540 HydrophobicContact CG-CG2 3.73Å
539	I	98.4	Very high	96.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.4	174.6	-51.3	172	0	0	0	107.5	I472 I474 I501 F550 F555	I472-I539 HydrophobicContact CB-CB 4.4Å; I472-I539 PolarHBondContact N-O 2.94Å; I472-I539 PolarHBondContact O-N 2.83Å; I474-I539 HydrophobicContact CD1-CD1 4.14Å; I501-I539 HydrophobicContact CG1-CG1 4.4Å; I501-I539 HydrophobicContact CG1-CG2 4.48Å; I539-F550 HydrophobicContact CG2-CE1 3.68Å; I539-F550 HydrophobicContact CG2-CZ 3.93Å; I539-F555 HydrophobicContact CD1-CD2 3.76Å; I539-F555 HydrophobicContact CD1-CE2 4.11Å
540	V	98.2	Very high	96.8	Very high	17 Å²	17	43.4 Å²	43.4	10%	0.103	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	108.4	179.6	-171.1	0	0	0	0	109.5	A471 Y499 Y500 R538	A471-V540 HydrophobicContact CB-CG2 3.95Å; Y499-V540 CarbonylContact C-O 3Å; Y499-V540 WeakPolarHBondContact CA-O 3.28Å; Y499-V540 VanDerWaalsContact CB-O 3.28Å; Y499-V540 WeakPolarHBondContact CB-O 3.2Å; Y500-V540 HydrophobicContact CD1-CB 4.09Å; Y500-V540 HydrophobicContact CD1-CG1 4.5Å; Y500-V540 HydrophobicContact CD2-CB 4.35Å; Y500-V540 HydrophobicContact CD2-CG2 4.44Å; Y500-V540 HydrophobicContact CE1-CB 3.58Å; Y500-V540 HydrophobicContact CE1-CG1 3.65Å; Y500-V540 HydrophobicContact CE1-CG2 4.27Å; Y500-V540 HydrophobicContact CE2-CB 3.86Å; Y500-V540 HydrophobicContact CE2-CG2 3.71Å; Y500-V540 HydrophobicContact CG-CB 4.45Å; Y500-V540 VanDerWaalsContact CZ-CB 3.46Å; Y500-V540 PolarHBondContact N-O 3.25Å; Y500-V540 PolarHBondContact O-N 2.79Å; R538-V540 HydrophobicContact CG-CG2 3.73Å
541	G	97.4	Very high	96.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	132.7	168.2	0	0	0	0	0	111.7	H465 L467	H465-G541 PolarHBondContact CE1-N 2.82Å; H465-G541 PolarHBondContact NE2-N 3.37Å; L467-G541 VanDerWaalsContact CD2-C 3.44Å; L467-G541 VanDerWaalsContact CD2-O 3.28Å; L467-G541 WeakPolarHBondContact CD2-O 3.27Å
542	T	97.3	Very high	96.9	Very high	59 Å²	59	33 Å²	33	36%	0.362	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-21.4	177.3	60.5	0	0	0	0	113	S498 Y500 T517	S498-T542 PolarHBondContact O-N 3.32Å; S498-T542 PolarHBondContact O-OG1 2.83Å; Y500-T542 HydrophobicContact CD1-CG2 3.75Å; Y500-T542 HydrophobicContact CE1-CG2 3.84Å; T517-T542 HydrophobicContact CG2-CG2 3.86Å
543	H	97.1	Very high	96.9	Very high	92 Å²	92	31.1 Å²	31.1	43%	0.426	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	148.1	178.4	-169.8	67.9	0	0	0	111.5	Y497 S498	Y497-H543 VanDerWaalsContact CA-O 3.28Å; Y497-H543 WeakPolarHBondContact CA-O 3.48Å; S498-H543 PolarHBondContact N-O 2.89Å; S498-H543 PolarHBondContact O-N 2.68Å; S498-H543 VanDerWaalsContact O-N 3.17Å
544	N	96.4	Very high	96.9	Very high	9 Å²	9	29.1 Å²	29.1	5%	0.048	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	130.7	166.1	172.1	-1	0	0	0	107.7	L467 S496 Y497 A546 N547 V549	L467-N544 HydrophobicContact CD1-CB 4.11Å; S496-N544 WeakPolarHBondContact O-CA 3.44Å; Y497-N544 HydrophobicContact CD1-CB 3.7Å; Y497-N544 HydrophobicContact CE1-CB 3.71Å; Y497-N544 VanDerWaalsContact CE1-CG 3.42Å; Y497-N544 VanDerWaalsContact CE1-ND2 3.34Å; Y497-N544 WeakPolarHBondContact CE1-ND2 3.13Å; N544-A546 VanDerWaalsContact C-N 3.28Å; N544-A546 PolarHBondContact O-N 2.95Å; N544-A546 PolarHBondContact OD1-N 2.74Å; N544-N547 VanDerWaalsContact CB-O 3.29Å; N544-N547 WeakPolarHBondContact CB-O 3.18Å; N544-N547 PolarHBondContact ND2-OD1 3.22Å; N544-V549 PolarHBondContact ND2-O 2.86Å
545	T	96.6	Very high	96.9	Very high	79 Å²	79	29.1 Å²	29.1	49%	0.485	16%	0.159	S	C	.	.	S	Bend	trans	-73.6	-14.5	-177.5	56.4	0	0	0	0	114.5	R495 S496	R495-T545 WeakPolarHBondContact CA-OG1 3.32Å; S496-T545 PolarHBondContact N-OG1 3.41Å; S496-T545 PolarHBondContact O-N 2.96Å; S496-T545 VanDerWaalsContact OG-CG2 3.23Å; S496-T545 WeakPolarHBondContact OG-CG2 3.43Å
546	A	94.2	Very high	96.8	Very high	57 Å²	57	30 Å²	30	47%	0.471	16%	0.163	S	C	.	.	S	Bend	trans	-102.2	-36.5	-176.1	0	0	0	0	0	114.2	R495 N544	R495-A546 HydrophobicContact CB-CB 3.87Å; N544-A546 VanDerWaalsContact C-N 3.28Å; N544-A546 PolarHBondContact O-N 2.95Å; N544-A546 PolarHBondContact OD1-N 2.74Å
547	N	93.2	Very high	96.7	Very high	52 Å²	52	30 Å²	30	28%	0.278	16%	0.163	S	C	.	.	S	Bend	trans	-162.1	-175	-176.7	61.3	49.3	0	0	0	111.9	N544 V549	N544-N547 VanDerWaalsContact CB-O 3.29Å; N544-N547 WeakPolarHBondContact CB-O 3.18Å; N544-N547 PolarHBondContact ND2-OD1 3.22Å; N547-V549 VanDerWaalsContact C-N 3.32Å; N547-V549 PolarHBondContact O-N 3.14Å; N547-V549 WeakPolarHBondContact OD1-CB 3.02Å; N547-V549 PolarHBondContact OD1-N 2.9Å; N547-V549 PolarHBondContact OD1-O 3.42Å
548	E	94.8	Very high	96.6	Very high	140 Å²	140	30.6 Å²	30.6	65%	0.654	17%	0.167	S	C	*	.	S	Bend	trans	-90.7	25.4	-177.6	-59.6	-171.7	159.6	0	0	114.5	L467	L467-E548 WeakPolarHBondContact CG-O 3.44Å; L467-E548 PolarHBondContact N-O 2.79Å
549	V	95.7	Very high	96.3	Very high	43 Å²	43	29 Å²	29	26%	0.261	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130	-177.1	179.8	0	0	0	0	110.6	C464 H465 N544 N547 H551	C464-V549 HydrophobicContact CB-CG1 3.63Å; H465-V549 WeakPolarHBondContact O-CA 3.38Å; N544-V549 PolarHBondContact ND2-O 2.86Å; N547-V549 VanDerWaalsContact C-N 3.32Å; N547-V549 PolarHBondContact O-N 3.14Å; N547-V549 WeakPolarHBondContact OD1-CB 3.02Å; N547-V549 PolarHBondContact OD1-N 2.9Å; N547-V549 PolarHBondContact OD1-O 3.42Å; V549-H551 VanDerWaalsContact CG1-CE1 3.41Å; V549-H551 WeakPolarHBondContact CG1-CE1 3.21Å; V549-H551 PolarHBondContact O-CE1 3.35Å; V549-H551 PolarHBondContact O-ND1 3.15Å
550	F	97.4	Very high	95.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.5	171.9	-176.1	-96.3	0	0	0	110.1	C464 H465 L467 I472 L489 Y497 Y499 I539 C552	C464-F550 WeakPolarHBondContact CA-O 3Å; C464-F550 WeakPolarHBondContact CB-O 3.46Å; H465-F550 AromaticContact CD2-CD1 3.9Å; H465-F550 PolarHBondContact N-O 2.89Å; H465-F550 VanDerWaalsContact N-O 3.15Å; H465-F550 AromaticContact NE2-CD1 3.77Å; H465-F550 AromaticContact NE2-CG 3.81Å; H465-F550 PolarHBondContact O-N 3Å; L467-F550 HydrophobicContact CD2-CB 3.85Å; I472-F550 HydrophobicContact CD1-CD1 4.2Å; I472-F550 HydrophobicContact CD1-CE1 4.45Å; L489-F550 HydrophobicContact CD2-CE1 4.41Å; L489-F550 HydrophobicContact CD2-CE2 3.99Å; L489-F550 HydrophobicContact CD2-CZ 3.58Å; Y497-F550 AromaticContact CD1-CD2 3.63Å; Y497-F550 HydrophobicContact CD1-CD2 3.63Å; Y497-F550 HydrophobicContact CD1-CE2 4.03Å; Y497-F550 HydrophobicContact CD1-CG 4.45Å; Y497-F550 HydrophobicContact CE1-CD2 4.34Å; Y497-F550 HydrophobicContact CG-CD2 4.2Å; Y497-F550 HydrophobicContact CG-CE2 4.13Å; Y499-F550 HydrophobicContact CD1-CE2 4.04Å; Y499-F550 HydrophobicContact CD1-CZ 4.22Å; Y499-F550 HydrophobicContact CG-CE2 4.13Å; Y499-F550 HydrophobicContact CG-CZ 4.13Å; I539-F550 HydrophobicContact CG2-CE1 3.68Å; I539-F550 HydrophobicContact CG2-CZ 3.93Å; F550-C552 HydrophobicContact CE1-CB 4.11Å
551	H	96.6	Very high	94.3	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.037	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128	-177.9	-54.4	72.4	0	0	0	110.6	Y462 W490 Y497 V549	Y462-H551 HydrophobicContact CD2-CB 4.33Å; Y462-H551 AromaticContact CD2-CD2 3.56Å; Y462-H551 AromaticContact CE2-CD2 3.31Å; Y462-H551 WeakPolarHBondContact CE2-CD2 3.38Å; Y462-H551 AromaticContact CZ-CD2 3.77Å; W490-H551 HydrophobicContact CB-CB 3.87Å; Y497-H551 WeakPolarHBondContact OH-CB 3.32Å; Y497-H551 PolarHBondContact OH-ND1 3.38Å; Y497-H551 VanDerWaalsContact OH-ND1 3.17Å; V549-H551 VanDerWaalsContact CG1-CE1 3.41Å; V549-H551 WeakPolarHBondContact CG1-CE1 3.21Å; V549-H551 PolarHBondContact O-CE1 3.35Å; V549-H551 PolarHBondContact O-ND1 3.15Å
552	C	97.1	Very high	92.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.4	175.2	-165.3	0	0	0	0	109.2	L448 Y462 T463 I472 F550	L448-C552 HydrophobicContact CD1-CB 3.88Å; L448-C552 VanDerWaalsContact CD1-SG 3.59Å; Y462-C552 WeakPolarHBondContact CA-O 3.46Å; T463-C552 PolarHBondContact N-O 2.99Å; T463-C552 PolarHBondContact O-N 2.99Å; I472-C552 HydrophobicContact CD1-CB 3.87Å; F550-C552 HydrophobicContact CE1-CB 4.11Å
553	V	97	Very high	89.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-51.9	-176.2	175	0	0	0	0	110	Y456 L488	Y456-V553 HydrophobicContact CD1-CG1 3.43Å; Y456-V553 VanDerWaalsContact CD1-CG1 3.43Å; Y456-V553 HydrophobicContact CD1-CG2 4.47Å; Y456-V553 HydrophobicContact CD2-CG1 4.21Å; Y456-V553 HydrophobicContact CD2-CG2 3.74Å; Y456-V553 HydrophobicContact CE1-CG1 3.69Å; Y456-V553 HydrophobicContact CE2-CG1 4.4Å; Y456-V553 HydrophobicContact CE2-CG2 3.81Å; Y456-V553 HydrophobicContact CG-CG1 3.73Å; Y456-V553 HydrophobicContact CG-CG2 4.09Å; L488-V553 HydrophobicContact CB-CB 4.16Å; L488-V553 HydrophobicContact CD2-CB 4Å; L488-V553 HydrophobicContact CD2-CG1 3.75Å; L488-V553 HydrophobicContact CG-CB 3.86Å; L488-V553 HydrophobicContact CG-CG1 4.2Å; L488-V553 HydrophobicContact CG-CG2 4.35Å; L488-V553 WeakPolarHBondContact O-CB 3.48Å; L488-V553 PolarHBondContact O-N 3.32Å
554	H	97.2	Very high	87.1	Confident	6 Å²	6	54.4 Å²	54.4	3%	0.028	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	147.4	-174.9	177.8	76.9	0	0	0	110.8	T453 L487 L488 W524 E556	T453-H554 HydrophobicContact CG2-CB 3.88Å; L487-H554 CarbonylContact C-O 3.5Å; L487-H554 VanDerWaalsContact CA-O 3.24Å; L487-H554 WeakPolarHBondContact CA-O 3.09Å; L488-H554 HydrophobicContact CB-CB 3.98Å; L488-H554 PolarHBondContact N-O 3Å; W524-H554 AromaticContact CH2-CD2 3.56Å; W524-H554 AromaticContact CZ3-CD2 3.82Å; H554-E556 IonicContact CD2-OE2 3.3Å; H554-E556 IonicContact NE2-OE2 3.13Å; H554-E556 PolarHBondContact NE2-OE2 3.24Å
555	F	97.6	Very high	84.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	139.2	173.4	174.9	-93.7	0	0	0	110.6	A429 L448 L449 I474 L485 L487 V537 I539 C557	A429-F555 HydrophobicContact CB-CD1 3.59Å; A429-F555 HydrophobicContact CB-CE1 3.54Å; L448-F555 HydrophobicContact CD1-CB 3.88Å; L448-F555 HydrophobicContact CD2-CB 4.24Å; L448-F555 HydrophobicContact CG-CB 3.78Å; L448-F555 PolarHBondContact O-N 3Å; L449-F555 HydrophobicContact CD2-CD1 4.19Å; I474-F555 HydrophobicContact CD1-CB 4.3Å; I474-F555 HydrophobicContact CD1-CD1 3.5Å; I474-F555 VanDerWaalsContact CD1-CD1 3.5Å; I474-F555 HydrophobicContact CD1-CD2 4.06Å; I474-F555 HydrophobicContact CD1-CE1 3.67Å; I474-F555 HydrophobicContact CD1-CE2 4.2Å; I474-F555 HydrophobicContact CD1-CG 3.69Å; I474-F555 HydrophobicContact CD1-CZ 4Å; I474-F555 HydrophobicContact CG1-CD1 4.43Å; L485-F555 HydrophobicContact CB-CE2 4.45Å; L485-F555 HydrophobicContact CD1-CE2 4.44Å; L485-F555 HydrophobicContact CD2-CE2 3.83Å; L485-F555 HydrophobicContact CD2-CZ 3.49Å; L485-F555 VanDerWaalsContact CD2-CZ 3.49Å; L485-F555 HydrophobicContact CG-CE2 4.48Å; L487-F555 HydrophobicContact CB-CD2 4.37Å; V537-F555 HydrophobicContact CB-CZ 4.07Å; V537-F555 HydrophobicContact CG1-CE2 4.08Å; V537-F555 HydrophobicContact CG1-CZ 3.77Å; V537-F555 HydrophobicContact CG2-CZ 4.13Å; I539-F555 HydrophobicContact CD1-CD2 3.76Å; I539-F555 HydrophobicContact CD1-CE2 4.11Å; F555-C557 HydrophobicContact CE1-CB 3.89Å; F555-C557 HydrophobicContact CZ-CB 3.99Å
556	E	96.2	Very high	82.2	Confident	18 Å²	18	59.1 Å²	59.1	8%	0.084	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	146.8	172.6	60.4	-175.5	-144.1	0	0	112.1	N427 R486 H554 Q560	N427-E556 HydrophobicContact CB-CB 4.16Å; N427-E556 WeakPolarHBondContact ND2-CB 3.29Å; N427-E556 WeakPolarHBondContact OD1-CA 3.45Å; N427-E556 WeakPolarHBondContact OD1-CB 3.07Å; R486-E556 HydrophobicContact CB-CG 3.62Å; R486-E556 WeakPolarHBondContact CD-OE1 3.14Å; R486-E556 HydrophobicContact CG-CG 4.45Å; R486-E556 PolarHBondContact N-O 2.83Å; R486-E556 IonicContact NH1-OE1 3.24Å; R486-E556 PolarHBondContact O-N 2.82Å; H554-E556 IonicContact CD2-OE2 3.3Å; H554-E556 IonicContact NE2-OE2 3.13Å; H554-E556 PolarHBondContact NE2-OE2 3.24Å; E556-Q560 WeakPolarHBondContact OE1-CB 3.42Å; E556-Q560 PolarHBondContact OE1-N 3.12Å
557	C	95.3	Very high	80	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.317	C	S	.	.	S	Bend	trans	-147.8	121.1	179.9	177.3	0	0	0	0	108.3	N427 V428 A429 I482 L485 F555	N427-C557 CarbonylContact C-O 3.29Å; N427-C557 WeakPolarHBondContact CA-O 3.16Å; N427-C557 PolarHBondContact OD1-N 3.35Å; N427-C557 PolarHBondContact OD1-O 2.66Å; V428-C557 WeakPolarHBondContact CG2-O 3.3Å; V428-C557 PolarHBondContact N-O 3.12Å; A429-C557 HydrophobicContact CB-CB 4.18Å; I482-C557 WeakPolarHBondContact CG2-SG 3.46Å; L485-C557 HydrophobicContact CD2-CB 3.42Å; L485-C557 VanDerWaalsContact CD2-CB 3.42Å; L485-C557 WeakPolarHBondContact CD2-SG 3.45Å; F555-C557 HydrophobicContact CE1-CB 3.89Å; F555-C557 HydrophobicContact CZ-CB 3.99Å
558	P	95.8	Very high	77.9	Confident	12 Å²	12	61.1 Å²	61.1	8%	0.078	32%	0.32	C	S	.	.	S	Bend	cis	-69.7	164.7	-5.6	34.6	-33.3	0	0	0	111.3	P424 E426 S484 Q560	P424-P558 HydrophobicContact CB-CG 4.39Å; P424-P558 HydrophobicContact CG-CG 4.21Å; P424-P558 WeakPolarHBondContact O-CG 3.46Å; E426-P558 WeakPolarHBondContact O-CD 3.11Å; S484-P558 WeakPolarHBondContact O-CA 3.34Å; S484-P558 VanDerWaalsContact OG-CB 3.24Å; S484-P558 WeakPolarHBondContact OG-CB 3.49Å; P558-Q560 PolarHBondContact O-N 3.49Å; P558-Q560 PolarHBondContact O-NE2 3.25Å; P558-Q560 VanDerWaalsContact O-NE2 3.1Å
559	A	93.1	Very high	75.6	Confident	15 Å²	15	56.9 Å²	56.9	12%	0.124	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-57	126.3	174.1	0	0	0	0	0	111.2	S484 R486 T526	S484-A559 PolarHBondContact OG-N 3.49Å; R486-A559 HydrophobicContact CB-CB 3.77Å; T526-A559 HydrophobicContact CG2-CB 4.1Å
560	Q	89.4	Confident	72.7	Confident	58 Å²	58	60.2 Å²	60.2	27%	0.271	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-93	123.2	176	-56.9	-62.2	-64.1	0	0	109.1	S425 N427 R486 E556 P558	S425-Q560 PolarHBondContact O-NE2 3.39Å; N427-Q560 HydrophobicContact CB-CG 4.05Å; R486-Q560 PolarHBondContact NH1-O 3.04Å; E556-Q560 WeakPolarHBondContact OE1-CB 3.42Å; E556-Q560 PolarHBondContact OE1-N 3.12Å; P558-Q560 PolarHBondContact O-N 3.49Å; P558-Q560 PolarHBondContact O-NE2 3.25Å; P558-Q560 VanDerWaalsContact O-NE2 3.1Å
561	L	65.3	Low	70	Confident	118 Å²	118	65.1 Å²	65.1	62%	0.618	35%	0.354	S	S	*	.			trans	-90.5	-0	-169.4	-83.2	165.6	0	0	0	115.6
562	D	56.3	Low	67.2	Low	152 Å²	152	69.2 Å²	69.2	81%	0.813	38%	0.384	S	S	*	.			trans	-115.5	115.7	-177	-88.8	-36	0	0	0	115
563	M	41.8	Very low	64	Low	154 Å²	154	75.8 Å²	75.8	76%	0.759	42%	0.419	S	S	*	.	S	Bend	trans	160.2	88.4	139.7	-80.1	-114.4	91.3	0	0	108.3	V565	M563-V565 WeakPolarHBondContact O-CG2 3.44Å; M563-V565 PolarHBondContact O-N 2.76Å
564	K	41.4	Very low	61	Low	222 Å²	222	81.9 Å²	81.9	97%	0.965	45%	0.451	S	S	*	.			trans	12.5	79.4	170.9	-73	-176.4	177.1	178.7	0	115.1
565	V	48.4	Very low	58	Low	50 Å²	50	91.9 Å²	91.9	30%	0.303	50%	0.495	S	S	.	.			trans	-111.2	130.2	173.3	178.7	0	0	0	0	107.8	R486 W524 M563 E567	R486-V565 VanDerWaalsContact NH2-CG2 3.32Å; W524-V565 HydrophobicContact CB-CG1 4.07Å; W524-V565 HydrophobicContact CD2-CG1 4.23Å; W524-V565 HydrophobicContact CG-CG1 3.52Å; M563-V565 WeakPolarHBondContact O-CG2 3.44Å; M563-V565 PolarHBondContact O-N 2.76Å; V565-E567 PolarHBondContact O-N 2.86Å
566	T	42	Very low	54.7	Low	136 Å²	136	99.3 Å²	99.3	83%	0.834	54%	0.535	S	S	*	.			trans	-68.5	101.8	171.6	-37.5	0	0	0	0	107.8
567	E	48.3	Very low	51.5	Low	117 Å²	117	104.3 Å²	104.3	55%	0.547	57%	0.572	S	S	.	*			trans	-69.2	133.6	179.4	-63.4	-172.6	150.8	0	0	110.6	V565	V565-E567 PolarHBondContact O-N 2.86Å
568	G	48.6	Very low	48.2	Very low	34 Å²	34	107.9 Å²	107.9	35%	0.351	61%	0.609	S	S	.	*			trans	-108.1	68.6	177	0	0	0	0	0	111.8	Q525	Q525-G568 PolarHBondContact NE2-O 3.12Å; Q525-G568 VanDerWaalsContact NE2-O 3.1Å
569	S	46.8	Very low	44.9	Very low	52 Å²	52	112.9 Å²	112.9	36%	0.364	64%	0.644	S	S	.	*			trans	-164.4	151.8	168.2	-176.2	0	0	0	0	113.8	L571	S569-L571 PolarHBondContact O-N 3.5Å
570	P	34.7	Very low	41.7	Very low	113 Å²	113	116.9 Å²	116.9	73%	0.734	68%	0.677	S	S	*	*	S	Bend	trans	-85.7	9.5	-180	3.8	16.1	0	0	0	115.3
571	L	40.7	Very low	38.8	Very low	102 Å²	102	122 Å²	122	53%	0.534	71%	0.706	S	S	.	*	G	3₁₀ helix	trans	-94.1	14.6	-166.9	-79.6	164.7	0	0	0	115.9	S569 D573 L574	S569-L571 PolarHBondContact O-N 3.5Å; L571-D573 PolarHBondContact O-N 2.84Å; L571-L574 HydrophobicContact CD2-CD1 4.41Å
572	S	38.4	Very low	37	Very low	95 Å²	95	124.7 Å²	124.7	66%	0.664	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-68.7	-16.6	177.4	63.6	0	0	0	0	114.7
573	D	30.9	Very low	35.6	Very low	138 Å²	138	125.6 Å²	125.6	74%	0.738	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-112.1	17.2	-161.5	-72.6	8.5	0	0	0	115.5	L571	L571-D573 PolarHBondContact O-N 2.84Å
574	L	33	Very low	34.9	Very low	128 Å²	128	126.5 Å²	126.5	67%	0.67	72%	0.717	S	S	*	*	S	Bend	trans	-116.5	24.3	-175.7	-79.3	171.1	0	0	0	115.9	L571	L571-L574 HydrophobicContact CD2-CD1 4.41Å
575	F	33.5	Very low	34.1	Very low	216 Å²	216	127.1 Å²	127.1	95%	0.947	71%	0.713	S	S	*	*	S	Bend	trans	-152.4	63.3	161.4	-70.9	-73	0	0	0	111.5
576	D	29.8	Very low	33.1	Very low	155 Å²	155	133 Å²	133	83%	0.829	74%	0.742	S	S	*	*			trans	-134	92.3	156.6	-161.7	11.1	0	0	0	109.8
577	S	27.5	Very low	32.2	Very low	124 Å²	124	134.3 Å²	134.3	87%	0.867	74%	0.739	S	S	*	*			trans	-137.5	99.1	165.4	65.5	0	0	0	0	109
578	G	25.8	Very low	31.1	Very low	75 Å²	75	139.6 Å²	139.6	77%	0.773	75%	0.754	S	S	*	*			trans	143.9	64.4	152.4	0	0	0	0	0	117.3
579	S	26.9	Very low	30.2	Very low	117 Å²	117	143.9 Å²	143.9	82%	0.818	78%	0.775	S	S	*	*			trans	-158.3	111	136.3	57.2	0	0	0	0	111
580	A	27.1	Very low	29.3	Very low	99 Å²	99	146.2 Å²	146.2	82%	0.818	79%	0.792	S	S	*	*			trans	-78.7	125.6	169.1	0	0	0	0	0	108.8
581	N	27.4	Very low	28.9	Very low	166 Å²	166	153 Å²	153	89%	0.888	80%	0.803	S	S	*	*			trans	-151.6	136.4	146	-111.6	-16.8	0	0	0	112.6
582	Q	27.7	Very low	28.1	Very low	174 Å²	174	153.8 Å²	153.8	81%	0.813	81%	0.812	S	S	*	*			trans	-62.7	143.9	-176	-66.5	166.9	-3.7	0	0	112.3
583	Q	27	Very low	27.7	Very low	170 Å²	170	156.9 Å²	156.9	79%	0.794	82%	0.816	S	S	*	*				-175.5	127.3	114.2	-98.8	166.5	16.7	0	0	114.5
584	Q	27.6	Very low	27.4	Very low	173 Å²	173	156.3 Å²	156.3	81%	0.808	82%	0.823	S	S	*	*			trans	61.8	97.7	139.6	-67.8	-179.2	7.3	0	0	121.6
585	R	24.8	Very low	27.2	Very low	235 Å²	235	157.1 Å²	157.1	89%	0.887	83%	0.827	S	S	*	*			trans	-49.4	127.2	147.6	-129	176.5	-177.7	-170.2	1.9	112.2
586	L	25.9	Very low	26.9	Very low	173 Å²	173	154.8 Å²	154.8	91%	0.906	82%	0.821	S	S	*	*			trans	-129.7	140.1	153.2	-91.4	163.4	0	0	0	109.8
587	Q	24	Very low	27.4	Very low	165 Å²	165	152.4 Å²	152.4	77%	0.771	81%	0.814	S	S	*	*			trans	-95.9	140.2	-161.7	-61	175	-4.1	0	0	113.1
588	R	23.9	Very low	27.4	Very low	228 Å²	228	152.1 Å²	152.1	86%	0.86	81%	0.807	S	S	*	*			trans	58.1	166.6	135.1	-78.4	-173.4	177.9	-170.1	-0.3	119.3
589	P	30.7	Very low	27.4	Very low	123 Å²	123	157.1 Å²	157.1	80%	0.799	81%	0.81	S	S	*	*			cis	-136.5	167.5	12.5	32.6	-9.8	0	0	0	118
590	S	26.9	Very low	28.1	Very low	102 Å²	102	156.4 Å²	156.4	71%	0.713	80%	0.803	S	S	*	*			trans	-72	148.6	166.8	-18.8	0	0	0	0	112.7
591	R	26.5	Very low	28.1	Very low	255 Å²	255	156.9 Å²	156.9	96%	0.962	80%	0.8	S	S	*	*			trans	-148.5	144.1	149.4	-90.3	-167.5	178.6	178.7	-0.9	111.8
592	T	25.6	Very low	28.2	Very low	119 Å²	119	154.3 Å²	154.3	73%	0.73	80%	0.795	S	S	*	*			trans	-110.2	158.1	-163.1	36.7	0	0	0	0	113.8
593	H	28.6	Very low	28.2	Very low	160 Å²	160	150.9 Å²	150.9	74%	0.741	79%	0.79	S	S	*	*			trans	67.8	131.1	147.6	-76.6	-63.2	0	0	0	122
594	S	25.5	Very low	28.4	Very low	126 Å²	126	148.2 Å²	148.2	88%	0.881	79%	0.791	S	S	*	*				-169.3	149.8	113.5	-74.3	0	0	0	0	112.6
595	L	27.7	Very low	29.3	Very low	144 Å²	144	145.8 Å²	145.8	75%	0.754	79%	0.79	S	S	*	*			trans	-107.4	140.6	-167	-81.3	134.2	0	0	0	113.4
596	M	27.7	Very low	29.6	Very low	168 Å²	168	140.7 Å²	140.7	83%	0.828	79%	0.79	S	S	*	*			trans	52.4	170.6	134.2	-68.8	-110	171.1	0	0	121.1
597	P	39.8	Very low	29.9	Very low	105 Å²	105	137.3 Å²	137.3	68%	0.682	78%	0.781	S	S	*	*			cis	-144.6	169.4	8.8	35.2	-11.1	0	0	0	119.9
598	T	29	Very low	30.2	Very low	118 Å²	118	134 Å²	134	72%	0.724	78%	0.777	S	S	*	*			trans	64.2	114.7	137.6	54.6	0	0	0	0	127.2
599	Q	25.6	Very low	30.6	Very low	179 Å²	179	128 Å²	128	84%	0.836	77%	0.77	S	S	*	*				60.6	165.4	123.1	-77.8	-160.1	-3.7	0	0	123.6
600	P	41.3	Very low	30.8	Very low	102 Å²	102	130.3 Å²	130.3	66%	0.662	77%	0.769	S	S	*	*			cis	-140.6	179.4	-24	33.8	-11.7	0	0	0	116.8
601	S	27.2	Very low	31.2	Very low	110 Å²	110	129.5 Å²	129.5	77%	0.769	76%	0.764	S	S	*	*			trans	64.7	124.1	146.9	65.3	0	0	0	0	123.6
602	S	29.2	Very low	31.7	Very low	111 Å²	111	125.4 Å²	125.4	78%	0.776	76%	0.755	S	S	*	*				175.8	125.7	112.4	61.8	0	0	0	0	114.8
603	S	28.6	Very low	32.3	Very low	102 Å²	102	132.1 Å²	132.1	71%	0.713	78%	0.778	S	S	*	*			trans	-7.7	129.9	151.3	51.8	0	0	0	0	123.6
604	S	30.8	Very low	32.5	Very low	114 Å²	114	130.7 Å²	130.7	80%	0.797	78%	0.78	S	S	*	*				68.4	170.1	124.1	-40.6	0	0	0	0	121.1
605	P	47	Very low	32.9	Very low	123 Å²	123	130.9 Å²	130.9	80%	0.799	77%	0.774	S	S	*	*				-130.9	167.6	-70	38.2	-22.2	0	0	0	112.3
606	S	30.5	Very low	33.1	Very low	127 Å²	127	130.2 Å²	130.2	89%	0.888	78%	0.775	S	S	*	*			trans	-153.9	129.9	151.6	58.2	0	0	0	0	112.4
607	S	31.1	Very low	33.5	Very low	103 Å²	103	128 Å²	128	72%	0.72	77%	0.772	S	S	*	*			trans	-102.7	147.2	-176.8	49.2	0	0	0	0	111.2
608	S	31.6	Very low	33.1	Very low	96 Å²	96	129.4 Å²	129.4	67%	0.671	78%	0.778	S	S	*	*			trans	69.2	137.8	134.1	61	0	0	0	0	122.4
609	S	32.2	Very low	33.3	Very low	102 Å²	102	130.2 Å²	130.2	71%	0.713	78%	0.782	S	S	*	*			trans	73.2	142.4	144.3	56.3	0	0	0	0	117.4
610	Q	33.9	Very low	33.9	Very low	170 Å²	170	126.7 Å²	126.7	79%	0.794	78%	0.778	S	S	*	*			cis	-169.8	133.6	13.9	-125.2	168	4	0	0	106.9
611	S	36.5	Very low	33.3	Very low	86 Å²	86	128.6 Å²	128.6	60%	0.601	79%	0.787	S	S	*	*				62.1	135.1	117.6	72.6	0	0	0	0	120.9
612	H	36.9	Very low	33.8	Very low	169 Å²	169	130.2 Å²	130.2	78%	0.782	79%	0.788	S	S	*	*			trans	98.8	123.8	152.1	-68.8	-67.6	0	0	0	120.2
613	H	37.7	Very low	34.3	Very low	259 Å²	259	131.9 Å²	131.9	100%	1.199	79%	0.789	S	S	*	*			trans	86.9	0	167.2	-71.3	-60.8	0	0	0	119.3

Retrieved 613 of 613 residues in 996 ms (Link to these results)

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