A0A096NXG3_PAPAN Loading...

Protein-glutamine gamma-glutamyltransferase 2

AlphaFold DB , UniProt , Accession A0A096NXG3, Species PAPAN (Papio anubis, Olive baboon), Gene TGM2, Length 687 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	61.9	Low	86.6	Confident	238 Å²	238	85 Å²	85	100%	1.172	43%	0.433	S	S	*	.				0	123.2	0	-67.5	-160.9	-78.2	0	0	105
2	A	69.8	Low	87.4	Confident	49 Å²	49	80.1 Å²	80.1	41%	0.405	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-67.3	133.8	175.1	0	0	0	0	0	107.7	V54 T123	A2-V54 HydrophobicContact CB-CB 4.26Å; A2-V54 HydrophobicContact CB-CG1 4.47Å; A2-V54 HydrophobicContact CB-CG2 4.38Å; A2-T123 HydrophobicContact CB-CG2 3.69Å
3	E	79.1	Confident	88.2	Confident	146 Å²	146	77.9 Å²	77.9	68%	0.682	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-69.7	142.1	175.4	-69	-176.6	165.6	0	0	109.6	R48	E3-R48 VanDerWaalsContact O-CZ 3.26Å; E3-R48 PolarHBondContact O-NE 3.31Å; E3-R48 PolarHBondContact O-NH2 3.18Å
4	D	83.8	Confident	88.9	Confident	67 Å²	67	75.5 Å²	75.5	36%	0.358	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-57.8	143.4	179.1	-81.2	-18.5	0	0	0	111.4	V6 Q126	D4-V6 PolarHBondContact O-N 3.32Å; D4-Q126 VanDerWaalsContact OD1-CB 3.28Å; D4-Q126 WeakPolarHBondContact OD1-CB 3.44Å; D4-Q126 PolarHBondContact OD1-OE1 3.43Å
5	L	88.5	Confident	89.4	Confident	5 Å²	5	80.2 Å²	80.2	3%	0.026	40%	0.404	C	S	.	.			trans	-73.6	113	175.3	-154.3	75.7	0	0	0	110.1	F45 R48 L57 T123	L5-F45 HydrophobicContact CD1-CD1 4.31Å; L5-F45 HydrophobicContact CD1-CG 4.44Å; L5-F45 HydrophobicContact CD2-CD1 3.87Å; L5-F45 HydrophobicContact CD2-CE1 3.35Å; L5-F45 HydrophobicContact CD2-CE2 4.3Å; L5-F45 HydrophobicContact CD2-CZ 3.6Å; L5-F45 HydrophobicContact CG-CD1 3.66Å; L5-F45 HydrophobicContact CG-CE1 3.69Å; L5-F45 HydrophobicContact CG-CG 4.27Å; L5-F45 HydrophobicContact CG-CZ 4.3Å; L5-R48 HydrophobicContact CD1-CG 4.43Å; L5-L57 HydrophobicContact CD2-CD1 4.36Å; L5-L57 HydrophobicContact CD2-CD2 3.9Å; L5-T123 PolarHBondContact N-OG1 2.7Å
6	V	91	Very high	89.9	Confident	70 Å²	70	78.3 Å²	78.3	42%	0.424	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	111.1	-178.3	-177.7	0	0	0	0	110	D4 E8 F45 E46	D4-V6 PolarHBondContact O-N 3.32Å; V6-E8 PolarHBondContact O-N 2.78Å; V6-F45 CarbonylContact O-C 3.58Å; V6-F45 VanDerWaalsContact O-CA 3.26Å; V6-F45 WeakPolarHBondContact O-CA 2.99Å; V6-E46 HydrophobicContact CB-CB 4.39Å; V6-E46 HydrophobicContact CG1-CB 4.3Å; V6-E46 PolarHBondContact O-N 3.08Å
7	L	94.2	Very high	90.4	Very high	31 Å²	31	73.6 Å²	73.6	16%	0.162	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	114.4	176.2	-177	72.6	0	0	0	110.3	L43 F45 F130 L132	L7-L43 HydrophobicContact CD1-CB 4.04Å; L7-L43 HydrophobicContact CD1-CD2 4.03Å; L7-L43 HydrophobicContact CD1-CG 4.48Å; L7-F45 HydrophobicContact CB-CD1 4.46Å; L7-F45 HydrophobicContact CB-CE1 4.43Å; L7-F45 HydrophobicContact CD1-CD1 4.2Å; L7-F45 HydrophobicContact CD1-CE1 3.87Å; L7-F45 HydrophobicContact CD1-CZ 4.48Å; L7-F130 HydrophobicContact CB-CD2 4.29Å; L7-F130 HydrophobicContact CB-CE2 4.25Å; L7-F130 HydrophobicContact CB-CG 4.45Å; L7-F130 HydrophobicContact CB-CZ 4.4Å; L7-F130 HydrophobicContact CD2-CB 4Å; L7-F130 HydrophobicContact CD2-CD2 4.32Å; L7-F130 HydrophobicContact CD2-CG 4.08Å; L7-L132 HydrophobicContact CD2-CD2 3.3Å
8	E	94.6	Very high	90.8	Very high	130 Å²	130	69.6 Å²	69.6	61%	0.607	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	-53.5	177.3	-177.4	-174.2	-171.4	0	0	110.8	V6 H44	V6-E8 PolarHBondContact O-N 2.78Å; E8-H44 WeakPolarHBondContact CB-O 3.48Å; E8-H44 PolarHBondContact N-O 3.21Å
9	R	95.5	Very high	91.2	Very high	117 Å²	117	72.9 Å²	72.9	44%	0.442	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	159.9	176.4	67.6	174.4	-171.2	102.7	-0.7	111.7	D11 H44	R9-D11 IonicContact NH1-OD2 2.72Å; R9-D11 PolarHBondContact NH1-OD2 3.15Å; R9-H44 HydrophobicContact CG-CB 3.67Å; R9-H44 VanDerWaalsContact CZ-NE2 3.34Å; R9-H44 PolarHBondContact N-O 2.78Å; R9-H44 PolarHBondContact NH2-CE1 2.92Å; R9-H44 PolarHBondContact NH2-NE2 2.95Å; R9-H44 PolarHBondContact O-N 3.48Å
10	C	96.9	Very high	91.6	Very high	32 Å²	32	72.7 Å²	72.7	22%	0.216	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.3	171.8	177.3	0	0	0	0	109	L41 L43 L132	C10-L41 WeakPolarHBondContact SG-CD1 3.25Å; C10-L43 HydrophobicContact CB-CD2 4.09Å; C10-L132 HydrophobicContact CB-CB 4.33Å; C10-L132 HydrophobicContact CB-CD2 4.16Å
11	D	96.9	Very high	91.9	Very high	50 Å²	50	69.2 Å²	69.2	27%	0.267	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.1	170.6	-149.8	-43.1	0	0	0	109.7	R9 E13 T42	R9-D11 IonicContact NH1-OD2 2.72Å; R9-D11 PolarHBondContact NH1-OD2 3.15Å; D11-E13 VanDerWaalsContact C-N 3.35Å; D11-E13 PolarHBondContact OD1-N 2.77Å; D11-T42 PolarHBondContact N-O 2.91Å; D11-T42 PolarHBondContact O-N 2.93Å
12	L	97.1	Very high	93.7	Very high	26 Å²	26	60.9 Å²	60.9	14%	0.136	30%	0.302	C	S	.	.			trans	-92.3	2.6	178.9	-64.5	-179.6	0	0	0	112.2	L14 N17 L31 L41	L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 HydrophobicContact CB-CD1 3.57Å; L12-L14 PolarHBondContact O-N 2.93Å; L12-N17 PolarHBondContact O-ND2 2.98Å; L12-L31 HydrophobicContact CB-CB 4.19Å; L12-L31 HydrophobicContact CB-CD2 4.07Å; L12-L31 HydrophobicContact CD1-CB 4.12Å; L12-L31 HydrophobicContact CD2-CD2 4.43Å; L12-L41 HydrophobicContact CD2-CD1 3.51Å
13	E	97.3	Very high	95	Very high	52 Å²	52	58.6 Å²	58.6	24%	0.243	28%	0.283	C	S	.	.			trans	53.3	45	171.9	-58.8	-64.5	154.1	0	0	113.3	D11 E15 T16 N17 W40 T42	D11-E13 VanDerWaalsContact C-N 3.35Å; D11-E13 PolarHBondContact OD1-N 2.77Å; E13-E15 VanDerWaalsContact C-N 3.31Å; E13-E15 PolarHBondContact O-N 3.32Å; E13-T16 PolarHBondContact O-N 2.76Å; E13-N17 WeakPolarHBondContact O-CB 3.29Å; E13-N17 PolarHBondContact O-N 3.33Å; E13-N17 PolarHBondContact O-ND2 2.84Å; E13-W40 HydrophobicContact CB-CB 4Å; E13-W40 HydrophobicContact CG-CB 4.02Å; E13-T42 WeakPolarHBondContact OE1-CB 3.09Å; E13-T42 PolarHBondContact OE1-OG1 3.41Å
14	L	97.7	Very high	95.9	Very high	44 Å²	44	54.3 Å²	54.3	23%	0.23	27%	0.273	C	S	.	.	H	α-helix	trans	-52	-43.3	-169.4	-91.7	64.4	0	0	0	113.6	L12 G18 C27 L31	L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 HydrophobicContact CB-CD1 3.57Å; L12-L14 PolarHBondContact O-N 2.93Å; L14-G18 WeakPolarHBondContact O-CA 3.4Å; L14-G18 PolarHBondContact O-N 3.28Å; L14-C27 HydrophobicContact CB-CB 4.43Å; L14-L31 HydrophobicContact CD1-CB 4.11Å; L14-L31 HydrophobicContact CG-CB 4.47Å
15	E	96.4	Very high	96.5	Very high	146 Å²	146	53.7 Å²	53.7	68%	0.682	27%	0.269	S	S	*	.	H	α-helix	trans	-69.6	-49.1	-175.4	-168.5	-171.6	152.8	0	0	111.8	E13 R19	E13-E15 VanDerWaalsContact C-N 3.31Å; E13-E15 PolarHBondContact O-N 3.32Å; E15-R19 WeakPolarHBondContact O-CB 3.45Å; E15-R19 PolarHBondContact O-N 3.1Å; E15-R19 IonicContact OE1-NH2 3.59Å; E15-R19 PolarHBondContact OE1-NH2 3.27Å
16	T	97.6	Very high	96.9	Very high	49 Å²	49	54.4 Å²	54.4	30%	0.301	27%	0.273	S	S	.	.	H	α-helix	trans	-65.7	-50.8	-179.4	-56.7	0	0	0	0	110.2	E13 G18 R19 D20	E13-T16 PolarHBondContact O-N 2.76Å; T16-G18 PolarHBondContact O-N 2.92Å; T16-R19 PolarHBondContact O-N 2.75Å; T16-D20 PolarHBondContact O-N 2.92Å
17	N	98.5	Very high	97.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-42.9	177.7	-74.5	-31.3	0	0	0	111.9	L12 E13 R19 D20 H21 L31 V33 W40	L12-N17 PolarHBondContact O-ND2 2.98Å; E13-N17 WeakPolarHBondContact O-CB 3.29Å; E13-N17 PolarHBondContact O-N 3.33Å; E13-N17 PolarHBondContact O-ND2 2.84Å; N17-R19 VanDerWaalsContact C-N 3.29Å; N17-R19 PolarHBondContact O-N 2.89Å; N17-D20 PolarHBondContact O-N 3Å; N17-H21 VanDerWaalsContact O-CB 3.28Å; N17-H21 WeakPolarHBondContact O-CB 3.26Å; N17-H21 PolarHBondContact O-CD2 2.91Å; N17-H21 VanDerWaalsContact O-CD2 3.25Å; N17-H21 PolarHBondContact O-N 3.19Å; N17-L31 HydrophobicContact CB-CD1 3.64Å; N17-V33 HydrophobicContact CB-CG1 4.41Å; N17-W40 PolarHBondContact ND2-O 2.82Å; N17-W40 WeakPolarHBondContact OD1-CB 3.3Å; N17-W40 PolarHBondContact OD1-N 3Å
18	G	98.2	Very high	97	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-39.9	178	0	0	0	0	0	112.4	L14 T16 H22 T23 A24	L14-G18 WeakPolarHBondContact O-CA 3.4Å; L14-G18 PolarHBondContact O-N 3.28Å; T16-G18 PolarHBondContact O-N 2.92Å; G18-H22 PolarHBondContact O-N 2.74Å; G18-T23 CarbonylContact O-C 3.08Å; G18-T23 PolarHBondContact O-N 3.18Å; G18-T23 PolarHBondContact O-OG1 3.26Å; G18-A24 PolarHBondContact O-N 3.45Å
19	R	98.1	Very high	96.9	Very high	133 Å²	133	57.2 Å²	57.2	50%	0.502	28%	0.278	S	S	.	.	H	α-helix	trans	-66.5	-50.5	175.8	-165.6	-173.3	-52.5	120.2	1.6	111.6	E15 T16 N17 H21 H22	E15-R19 WeakPolarHBondContact O-CB 3.45Å; E15-R19 PolarHBondContact O-N 3.1Å; E15-R19 IonicContact OE1-NH2 3.59Å; E15-R19 PolarHBondContact OE1-NH2 3.27Å; T16-R19 PolarHBondContact O-N 2.75Å; N17-R19 VanDerWaalsContact C-N 3.29Å; N17-R19 PolarHBondContact O-N 2.89Å; R19-H21 VanDerWaalsContact C-N 3.32Å; R19-H21 PolarHBondContact O-N 3.47Å; R19-H22 PolarHBondContact O-N 2.89Å
20	D	98.5	Very high	96.9	Very high	69 Å²	69	55.7 Å²	55.7	37%	0.369	28%	0.275	S	S	.	.	H	α-helix	trans	-68.2	-31.4	-174.9	-66.8	-11.5	0	0	0	112.4	T16 N17 Q37	T16-D20 PolarHBondContact O-N 2.92Å; N17-D20 PolarHBondContact O-N 3Å; D20-Q37 PolarHBondContact O-NE2 3.48Å
21	H	98.7	Very high	97	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	5	177.3	-75.2	-91.2	0	0	0	113.8	N17 R19 T23 R34 Q37 P38 F39	N17-H21 VanDerWaalsContact O-CB 3.28Å; N17-H21 WeakPolarHBondContact O-CB 3.26Å; N17-H21 PolarHBondContact O-CD2 2.91Å; N17-H21 VanDerWaalsContact O-CD2 3.25Å; N17-H21 PolarHBondContact O-N 3.19Å; R19-H21 VanDerWaalsContact C-N 3.32Å; R19-H21 PolarHBondContact O-N 3.47Å; H21-T23 VanDerWaalsContact C-N 3.25Å; H21-T23 HydrophobicContact CB-CG2 4.43Å; H21-T23 PolarHBondContact O-N 2.84Å; H21-R34 HydrophobicContact CB-CG 4.4Å; H21-R34 PolarHBondContact ND1-N 2.91Å; H21-R34 VanDerWaalsContact ND1-N 3.14Å; H21-R34 WeakPolarHBondContact O-CD 3.38Å; H21-R34 PolarHBondContact O-NE 3.02Å; H21-Q37 VanDerWaalsContact CE1-CG 3.46Å; H21-Q37 WeakPolarHBondContact CE1-CG 3.48Å; H21-Q37 PolarHBondContact ND1-OE1 2.91Å; H21-P38 PolarHBondContact NE2-O 2.94Å; H21-P38 VanDerWaalsContact NE2-O 3.11Å; H21-F39 WeakPolarHBondContact NE2-CB 3.24Å
22	H	98.6	Very high	97.1	Very high	62 Å²	62	51.8 Å²	51.8	29%	0.287	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	43.2	-176.6	-49.1	-87.2	0	0	0	112.4	G18 R19 R34 W142 L161	G18-H22 PolarHBondContact O-N 2.74Å; R19-H22 PolarHBondContact O-N 2.89Å; H22-R34 PolarHBondContact O-NH2 2.66Å; H22-W142 HydrophobicContact CB-CH2 4.07Å; H22-W142 HydrophobicContact CB-CZ2 4.06Å; H22-W142 HydrophobicContact CB-CZ3 4.35Å; H22-W142 AromaticContact CD2-CD1 3.65Å; H22-W142 AromaticContact CD2-CD2 3.61Å; H22-W142 AromaticContact CD2-CE2 3.57Å; H22-W142 AromaticContact CD2-CG 3.78Å; H22-W142 AromaticContact CD2-NE1 3.64Å; H22-W142 AromaticContact CE1-CD1 3.9Å; H22-W142 AromaticContact CE1-NE1 3.58Å; H22-W142 AromaticContact CG-CE2 3.77Å; H22-W142 AromaticContact CG-CZ2 3.89Å; H22-W142 AromaticContact ND1-NE1 4Å; H22-W142 AromaticContact NE2-CD1 3.24Å; H22-W142 AromaticContact NE2-CE2 3.8Å; H22-W142 AromaticContact NE2-CG 3.81Å; H22-W142 AromaticContact NE2-NE1 3.35Å; H22-W142 PolarHBondContact NE2-NE1 3.12Å; H22-L161 HydrophobicContact CB-CD1 4.12Å; H22-L161 HydrophobicContact CB-CD2 4.18Å; H22-L161 WeakPolarHBondContact O-CD2 3.25Å
23	T	98.6	Very high	97.2	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.012	25%	0.246	C	C	.	.			trans	-131.6	19.9	-179.2	50.4	0	0	0	0	111.4	G18 H21 D25 L26 C27 V32 R34 L138	G18-T23 CarbonylContact O-C 3.08Å; G18-T23 PolarHBondContact O-N 3.18Å; G18-T23 PolarHBondContact O-OG1 3.26Å; H21-T23 VanDerWaalsContact C-N 3.25Å; H21-T23 HydrophobicContact CB-CG2 4.43Å; H21-T23 PolarHBondContact O-N 2.84Å; T23-D25 VanDerWaalsContact C-N 3.32Å; T23-D25 PolarHBondContact O-N 2.7Å; T23-L26 HydrophobicContact CG2-CD1 4.29Å; T23-L26 WeakPolarHBondContact O-CA 3.45Å; T23-L26 WeakPolarHBondContact O-CB 3.23Å; T23-L26 PolarHBondContact O-N 2.98Å; T23-C27 PolarHBondContact O-N 2.8Å; T23-C27 PolarHBondContact O-SG 2.83Å; T23-V32 WeakPolarHBondContact CB-O 3.31Å; T23-V32 HydrophobicContact CG2-CG1 4.02Å; T23-V32 PolarHBondContact OG1-O 3.45Å; T23-R34 HydrophobicContact CG2-CG 4.15Å; T23-L138 HydrophobicContact CG2-CD1 4.42Å
24	A	97.6	Very high	97.2	Very high	56 Å²	56	48.1 Å²	48.1	46%	0.463	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-45.1	-175.4	0	0	0	0	0	112.8	G18 L26 C27	G18-A24 PolarHBondContact O-N 3.45Å; A24-L26 PolarHBondContact O-N 2.84Å; A24-C27 PolarHBondContact O-N 2.74Å
25	D	95.6	Very high	97.3	Very high	54 Å²	54	46.2 Å²	46.2	29%	0.289	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-22.9	179.5	-62.6	-19.1	0	0	0	113	T23 F185 H658	T23-D25 VanDerWaalsContact C-N 3.32Å; T23-D25 PolarHBondContact O-N 2.7Å; D25-F185 HydrophobicContact CB-CB 3.76Å; D25-F185 HydrophobicContact CB-CD2 4.19Å; D25-F185 HydrophobicContact CB-CG 4.27Å; D25-H658 IonicContact OD1-CD2 2.82Å; D25-H658 PolarHBondContact OD1-CD2 3.23Å; D25-H658 VanDerWaalsContact OD1-CD2 3.29Å; D25-H658 IonicContact OD1-NE2 2.59Å
26	L	97.6	Very high	97.3	Very high	19 Å²	19	40.2 Å²	40.2	10%	0.099	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-25.1	176.4	-68.2	173	0	0	0	112.5	T23 A24 R28 V32 L138 F185 L190	T23-L26 HydrophobicContact CG2-CD1 4.29Å; T23-L26 WeakPolarHBondContact O-CA 3.45Å; T23-L26 WeakPolarHBondContact O-CB 3.23Å; T23-L26 PolarHBondContact O-N 2.98Å; A24-L26 PolarHBondContact O-N 2.84Å; L26-R28 PolarHBondContact O-N 2.82Å; L26-V32 HydrophobicContact CB-CB 4.11Å; L26-V32 HydrophobicContact CB-CG1 4.3Å; L26-V32 HydrophobicContact CB-CG2 4.01Å; L26-V32 HydrophobicContact CD1-CG1 4.09Å; L26-L138 HydrophobicContact CD1-CD1 3.98Å; L26-F185 HydrophobicContact CD1-CD1 3.67Å; L26-F185 HydrophobicContact CD1-CE1 3.81Å; L26-F185 HydrophobicContact CD2-CB 4.07Å; L26-F185 HydrophobicContact CD2-CD1 3.67Å; L26-F185 HydrophobicContact CD2-CG 4.25Å; L26-F185 HydrophobicContact CG-CB 4.27Å; L26-F185 HydrophobicContact CG-CD1 3.57Å; L26-F185 HydrophobicContact CG-CE1 4.2Å; L26-F185 HydrophobicContact CG-CG 4.11Å; L26-L190 HydrophobicContact CD1-CD2 4.3Å; L26-L190 HydrophobicContact CD2-CB 3.99Å; L26-L190 HydrophobicContact CD2-CD2 4.1Å
27	C	95.8	Very high	97.3	Very high	17 Å²	17	39.8 Å²	39.8	12%	0.115	20%	0.196	C	C	.	.			trans	-81.9	62.9	-178.6	-67.3	0	0	0	0	111.7	L14 T23 A24 V32	L14-C27 HydrophobicContact CB-CB 4.43Å; T23-C27 PolarHBondContact O-N 2.8Å; T23-C27 PolarHBondContact O-SG 2.83Å; A24-C27 PolarHBondContact O-N 2.74Å; C27-V32 PolarHBondContact SG-N 2.63Å; C27-V32 PolarHBondContact SG-O 2.59Å
28	R	90.8	Very high	97.3	Very high	91 Å²	91	42.4 Å²	42.4	34%	0.343	21%	0.213	S	C	.	.	S	Bend	trans	-82.8	-69.3	175.4	-62.5	-175.8	179.3	-149.7	-1.5	111.5	L26 D187 E631	L26-R28 PolarHBondContact O-N 2.82Å; R28-D187 IonicContact NH1-OD1 3.51Å; R28-D187 IonicContact NH1-OD2 2.67Å; R28-E631 IonicContact CZ-OE2 2.85Å; R28-E631 IonicContact NH1-OE2 2.7Å; R28-E631 PolarHBondContact NH1-OE2 2.86Å; R28-E631 IonicContact NH2-OE1 3.32Å; R28-E631 IonicContact NH2-OE2 3.16Å; R28-E631 PolarHBondContact NH2-OE2 2.79Å
29	E	92.9	Very high	97.3	Very high	182 Å²	182	42.5 Å²	42.5	85%	0.85	21%	0.214	S	C	*	.	S	Bend	trans	-118.1	-10.9	-179.4	-62	-178.3	168.9	0	0	112.9
30	K	95.4	Very high	97.3	Very high	85 Å²	85	39.8 Å²	39.8	37%	0.37	20%	0.204	S	C	.	.	S	Bend	trans	-126.4	142.9	-176.5	-60.8	173.9	-176	168.6	0	108.9	V32 I136 D191	K30-V32 PolarHBondContact O-N 2.98Å; K30-I136 HydrophobicContact CD-CD1 4.46Å; K30-D191 IonicContact NZ-OD1 3.08Å; K30-D191 PolarHBondContact NZ-OD1 2.82Å; K30-D191 IonicContact NZ-OD2 3.63Å; K30-D191 PolarHBondContact NZ-OD2 2.88Å
31	L	98.6	Very high	97.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	127.3	170.1	177.6	63.4	0	0	0	109.5	L12 L14 N17 V33 F39 F135 I136	L12-L31 HydrophobicContact CB-CB 4.19Å; L12-L31 HydrophobicContact CB-CD2 4.07Å; L12-L31 HydrophobicContact CD1-CB 4.12Å; L12-L31 HydrophobicContact CD2-CD2 4.43Å; L14-L31 HydrophobicContact CD1-CB 4.11Å; L14-L31 HydrophobicContact CG-CB 4.47Å; N17-L31 HydrophobicContact CB-CD1 3.64Å; L31-V33 HydrophobicContact CD1-CG1 3.76Å; L31-V33 HydrophobicContact CD2-CG1 4.22Å; L31-V33 HydrophobicContact CG-CG1 3.93Å; L31-F39 HydrophobicContact CD2-CD2 4.04Å; L31-F39 HydrophobicContact CD2-CE2 4.16Å; L31-F135 HydrophobicContact CB-CB 4Å; L31-F135 HydrophobicContact CD2-CB 3.94Å; L31-F135 HydrophobicContact CG-CB 4.02Å; L31-F135 CarbonylContact O-C 3.59Å; L31-F135 VanDerWaalsContact O-CA 3.25Å; L31-F135 WeakPolarHBondContact O-CA 3.46Å; L31-I136 PolarHBondContact O-N 2.85Å
32	V	98.9	Very high	97.2	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	120.8	173.6	-173.3	0	0	0	0	108.5	T23 L26 C27 K30 I136 L138 L190	T23-V32 WeakPolarHBondContact CB-O 3.31Å; T23-V32 HydrophobicContact CG2-CG1 4.02Å; T23-V32 PolarHBondContact OG1-O 3.45Å; L26-V32 HydrophobicContact CB-CB 4.11Å; L26-V32 HydrophobicContact CB-CG1 4.3Å; L26-V32 HydrophobicContact CB-CG2 4.01Å; L26-V32 HydrophobicContact CD1-CG1 4.09Å; C27-V32 PolarHBondContact SG-N 2.63Å; C27-V32 PolarHBondContact SG-O 2.59Å; K30-V32 PolarHBondContact O-N 2.98Å; V32-I136 WeakPolarHBondContact CA-O 3.36Å; V32-I136 HydrophobicContact CG1-CB 4.25Å; V32-I136 HydrophobicContact CG1-CG2 4.42Å; V32-I136 HydrophobicContact CG2-CB 4.25Å; V32-I136 HydrophobicContact CG2-CD1 4.34Å; V32-L138 HydrophobicContact CG1-CD1 3.58Å; V32-L138 HydrophobicContact CG1-CG 3.9Å; V32-L190 HydrophobicContact CG1-CD2 3.95Å; V32-L190 HydrophobicContact CG2-CD2 3.79Å
33	V	98.9	Very high	97.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	164.5	-176.1	-71	0	0	0	0	110.4	N17 L31 F39 F135 I136 L137 L138	N17-V33 HydrophobicContact CB-CG1 4.41Å; L31-V33 HydrophobicContact CD1-CG1 3.76Å; L31-V33 HydrophobicContact CD2-CG1 4.22Å; L31-V33 HydrophobicContact CG-CG1 3.93Å; V33-F39 HydrophobicContact CG1-CB 3.87Å; V33-F39 HydrophobicContact CG1-CD1 4.42Å; V33-F39 HydrophobicContact CG1-CG 4.09Å; V33-F39 HydrophobicContact CG2-CD1 4.27Å; V33-F39 HydrophobicContact CG2-CE1 4.46Å; V33-F135 HydrophobicContact CG2-CD2 3.73Å; V33-F135 HydrophobicContact CG2-CE2 4.32Å; V33-I136 PolarHBondContact N-O 2.9Å; V33-L137 HydrophobicContact CG2-CD1 3.78Å; V33-L137 WeakPolarHBondContact O-CA 3.48Å; V33-L138 PolarHBondContact O-N 3.27Å
34	R	98.9	Very high	97.1	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	140.6	179.2	-57.2	-173.5	-175.7	-79.2	-4.4	110.3	H21 H22 T23 L138 F139 N140	H21-R34 HydrophobicContact CB-CG 4.4Å; H21-R34 PolarHBondContact ND1-N 2.91Å; H21-R34 VanDerWaalsContact ND1-N 3.14Å; H21-R34 WeakPolarHBondContact O-CD 3.38Å; H21-R34 PolarHBondContact O-NE 3.02Å; H22-R34 PolarHBondContact O-NH2 2.66Å; T23-R34 HydrophobicContact CG2-CG 4.15Å; R34-L138 WeakPolarHBondContact CA-O 3.26Å; R34-L138 HydrophobicContact CG-CB 4.47Å; R34-F139 PolarHBondContact NH1-O 3.36Å; R34-F139 VanDerWaalsContact NH1-O 3.17Å; R34-N140 HydrophobicContact CB-CB 3.65Å; R34-N140 VanDerWaalsContact CB-CG 3.46Å; R34-N140 WeakPolarHBondContact CB-ND2 3.45Å
35	R	98.7	Very high	97	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.011	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	158.5	-177.2	70.3	-172.1	-175.2	162.7	10.5	113	Q37 T106 A108 A110 L137 L138 F139 N140 D146 S215	R35-Q37 PolarHBondContact O-N 3.02Å; R35-T106 VanDerWaalsContact CA-OG1 3.24Å; R35-T106 WeakPolarHBondContact CA-OG1 3.25Å; R35-A108 VanDerWaalsContact CD-O 3.31Å; R35-A108 WeakPolarHBondContact CD-O 3.42Å; R35-A108 PolarHBondContact NE-O 3.35Å; R35-A108 PolarHBondContact NH2-O 3.43Å; R35-A110 HydrophobicContact CB-CB 4.25Å; R35-A110 WeakPolarHBondContact CD-O 3.29Å; R35-A110 PolarHBondContact NH1-O 2.96Å; R35-L137 HydrophobicContact CB-CD1 4.14Å; R35-L137 HydrophobicContact CB-CD2 4.02Å; R35-L137 HydrophobicContact CB-CG 3.98Å; R35-L138 PolarHBondContact N-O 3.44Å; R35-F139 VanDerWaalsContact CZ-CE1 3.46Å; R35-F139 VanDerWaalsContact NH2-CD1 3.26Å; R35-F139 VanDerWaalsContact NH2-CE1 3.32Å; R35-N140 HydrophobicContact CG-CB 4.4Å; R35-N140 WeakPolarHBondContact O-CB 3.37Å; R35-N140 PolarHBondContact O-ND2 3.49Å; R35-D146 VanDerWaalsContact CG-OD2 3.23Å; R35-D146 WeakPolarHBondContact CG-OD2 3.49Å; R35-D146 IonicContact CZ-OD1 2.86Å; R35-D146 IonicContact CZ-OD2 2.98Å; R35-D146 IonicContact NE-OD1 3.69Å; R35-D146 PolarHBondContact NE-OD1 3.02Å; R35-D146 IonicContact NE-OD2 2.75Å; R35-D146 PolarHBondContact NE-OD2 2.87Å; R35-D146 IonicContact NH2-OD1 2.84Å; R35-D146 PolarHBondContact NH2-OD1 3.29Å; R35-D146 IonicContact NH2-OD2 2.75Å; R35-S215 PolarHBondContact NH1-O 3.24Å
36	G	97.4	Very high	96.9	Very high	21 Å²	21	37 Å²	37	22%	0.216	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	9	177.6	0	0	0	0	0	115	T106 C143	G36-T106 WeakPolarHBondContact CA-O 3.45Å; G36-T106 PolarHBondContact N-O 3.29Å; G36-T106 VanDerWaalsContact N-O 3.16Å; G36-T106 PolarHBondContact N-OG1 3.23Å; G36-C143 PolarHBondContact O-SG 2.81Å; G36-C143 VanDerWaalsContact O-SG 3.32Å
37	Q	97.6	Very high	96.6	Very high	40 Å²	40	39.3 Å²	39.3	19%	0.187	21%	0.206	C	C	.	.	S	Bend	trans	-132.2	139.3	-179.9	-179.5	179.9	-4.7	0	0	109.7	D20 H21 R35 N140	D20-Q37 PolarHBondContact O-NE2 3.48Å; H21-Q37 VanDerWaalsContact CE1-CG 3.46Å; H21-Q37 WeakPolarHBondContact CE1-CG 3.48Å; H21-Q37 PolarHBondContact ND1-OE1 2.91Å; R35-Q37 PolarHBondContact O-N 3.02Å; Q37-N140 PolarHBondContact OE1-ND2 3.42Å
38	P	97.4	Very high	96.4	Very high	55 Å²	55	40.3 Å²	40.3	36%	0.357	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	144.5	176.8	29	-35.3	0	0	0	111.8	H21 Q103 L104	H21-P38 PolarHBondContact NE2-O 2.94Å; H21-P38 VanDerWaalsContact NE2-O 3.11Å; P38-Q103 HydrophobicContact CB-CB 4.46Å; P38-Q103 HydrophobicContact CB-CG 4.49Å; P38-L104 CarbonylContact C-O 3.59Å; P38-L104 VanDerWaalsContact CA-O 3.26Å; P38-L104 WeakPolarHBondContact CA-O 3.39Å
39	F	98.4	Very high	96.6	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.6	172.5	65	-88.7	0	0	0	111.4	H21 L31 V33 Q103 L104 T106	H21-F39 WeakPolarHBondContact NE2-CB 3.24Å; L31-F39 HydrophobicContact CD2-CD2 4.04Å; L31-F39 HydrophobicContact CD2-CE2 4.16Å; V33-F39 HydrophobicContact CG1-CB 3.87Å; V33-F39 HydrophobicContact CG1-CD1 4.42Å; V33-F39 HydrophobicContact CG1-CG 4.09Å; V33-F39 HydrophobicContact CG2-CD1 4.27Å; V33-F39 HydrophobicContact CG2-CE1 4.46Å; F39-Q103 WeakPolarHBondContact O-CA 3.45Å; F39-L104 HydrophobicContact CD1-CB 4.2Å; F39-L104 VanDerWaalsContact CD1-O 3.25Å; F39-L104 WeakPolarHBondContact CD1-O 2.92Å; F39-L104 HydrophobicContact CD2-CB 4.36Å; F39-L104 HydrophobicContact CE1-CB 3.67Å; F39-L104 HydrophobicContact CE2-CB 3.85Å; F39-L104 HydrophobicContact CE2-CD2 4.07Å; F39-L104 HydrophobicContact CZ-CB 3.47Å; F39-L104 VanDerWaalsContact CZ-CB 3.47Å; F39-L104 HydrophobicContact CZ-CD2 3.75Å; F39-L104 HydrophobicContact CZ-CG 4.26Å; F39-L104 PolarHBondContact N-O 2.78Å; F39-L104 PolarHBondContact O-N 3.24Å; F39-T106 HydrophobicContact CE1-CG2 3.92Å
40	W	98.3	Very high	96.6	Very high	77 Å²	77	29 Å²	29	29%	0.292	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	144.3	-178.8	-62.2	100.3	0	0	0	112.4	E13 N17 V93 L102 Q103	E13-W40 HydrophobicContact CB-CB 4Å; E13-W40 HydrophobicContact CG-CB 4.02Å; N17-W40 PolarHBondContact ND2-O 2.82Å; N17-W40 WeakPolarHBondContact OD1-CB 3.3Å; N17-W40 PolarHBondContact OD1-N 3Å; W40-V93 HydrophobicContact CH2-CB 4.48Å; W40-V93 HydrophobicContact CH2-CG1 3.83Å; W40-V93 HydrophobicContact CH2-CG2 4.43Å; W40-V93 HydrophobicContact CZ3-CB 3.87Å; W40-V93 HydrophobicContact CZ3-CG1 3.67Å; W40-V93 HydrophobicContact CZ3-CG2 3.86Å; W40-L102 WeakPolarHBondContact CA-O 3.27Å; W40-Q103 HydrophobicContact CD2-CG 4.14Å; W40-Q103 HydrophobicContact CE3-CG 3.86Å; W40-Q103 HydrophobicContact CH2-CG 4.35Å; W40-Q103 HydrophobicContact CZ3-CG 3.98Å
41	L	98.1	Very high	96.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	127.4	174.4	-177.1	75.5	0	0	0	108.6	C10 L12 L43 F59 L102 L104 L117 L132	C10-L41 WeakPolarHBondContact SG-CD1 3.25Å; L12-L41 HydrophobicContact CD2-CD1 3.51Å; L41-L43 HydrophobicContact CD2-CD2 4.33Å; L41-L43 HydrophobicContact CG-CD2 4.4Å; L41-F59 HydrophobicContact CD2-CE1 3.91Å; L41-F59 HydrophobicContact CD2-CZ 4.47Å; L41-L102 HydrophobicContact CB-CB 4.26Å; L41-L102 HydrophobicContact CD2-CD1 4.23Å; L41-L102 PolarHBondContact N-O 3.37Å; L41-L102 WeakPolarHBondContact O-CB 3.33Å; L41-L102 PolarHBondContact O-N 2.95Å; L41-L104 HydrophobicContact CB-CD1 4Å; L41-L104 HydrophobicContact CD2-CD1 3.65Å; L41-L104 HydrophobicContact CD2-CD2 4.12Å; L41-L104 HydrophobicContact CG-CD1 4.49Å; L41-L117 HydrophobicContact CD1-CD2 4.31Å; L41-L117 HydrophobicContact CD2-CD2 4.16Å; L41-L132 HydrophobicContact CD2-CD1 4.07Å
42	T	98.1	Very high	96.1	Very high	15 Å²	15	32.3 Å²	32.3	9%	0.092	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.1	179.3	-50.5	0	0	0	0	109.7	D11 E13	D11-T42 PolarHBondContact N-O 2.91Å; D11-T42 PolarHBondContact O-N 2.93Å; E13-T42 WeakPolarHBondContact OE1-CB 3.09Å; E13-T42 PolarHBondContact OE1-OG1 3.41Å
43	L	97.8	Very high	95.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.2	174.1	-57	-178.4	0	0	0	109.6	L7 C10 L41 F45 F59 T99 L100 L102 L119 L132	L7-L43 HydrophobicContact CD1-CB 4.04Å; L7-L43 HydrophobicContact CD1-CD2 4.03Å; L7-L43 HydrophobicContact CD1-CG 4.48Å; C10-L43 HydrophobicContact CB-CD2 4.09Å; L41-L43 HydrophobicContact CD2-CD2 4.33Å; L41-L43 HydrophobicContact CG-CD2 4.4Å; L43-F45 HydrophobicContact CB-CE1 4.49Å; L43-F45 HydrophobicContact CB-CE2 3.82Å; L43-F45 HydrophobicContact CB-CZ 3.74Å; L43-F45 HydrophobicContact CD1-CZ 3.88Å; L43-F45 HydrophobicContact CG-CZ 4.47Å; L43-F59 HydrophobicContact CD1-CZ 4.39Å; L43-T99 WeakPolarHBondContact O-CA 3.39Å; L43-L100 HydrophobicContact CB-CB 4.41Å; L43-L100 PolarHBondContact N-O 2.65Å; L43-L100 PolarHBondContact O-N 2.91Å; L43-L102 HydrophobicContact CD1-CD1 3.73Å; L43-L102 HydrophobicContact CG-CD1 4.03Å; L43-L119 HydrophobicContact CD1-CD2 4.03Å; L43-L132 HydrophobicContact CD2-CD1 4.03Å; L43-L132 HydrophobicContact CD2-CD2 4.14Å
44	H	97.3	Very high	95.3	Very high	30 Å²	30	40.1 Å²	40.1	14%	0.139	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125.9	173.8	-65.6	-94.8	0	0	0	109	E8 R9 T99	E8-H44 WeakPolarHBondContact CB-O 3.48Å; E8-H44 PolarHBondContact N-O 3.21Å; R9-H44 HydrophobicContact CG-CB 3.67Å; R9-H44 VanDerWaalsContact CZ-NE2 3.34Å; R9-H44 PolarHBondContact N-O 2.78Å; R9-H44 PolarHBondContact NH2-CE1 2.92Å; R9-H44 PolarHBondContact NH2-NE2 2.95Å; R9-H44 PolarHBondContact O-N 3.48Å; H44-T99 VanDerWaalsContact ND1-CG2 3.31Å; H44-T99 WeakPolarHBondContact ND1-CG2 3.37Å
45	F	95.5	Very high	95	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.022	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	149.6	-179.7	-59.9	-73.5	0	0	0	111.4	L5 V6 L7 L43 R48 C98 L100	L5-F45 HydrophobicContact CD1-CD1 4.31Å; L5-F45 HydrophobicContact CD1-CG 4.44Å; L5-F45 HydrophobicContact CD2-CD1 3.87Å; L5-F45 HydrophobicContact CD2-CE1 3.35Å; L5-F45 HydrophobicContact CD2-CE2 4.3Å; L5-F45 HydrophobicContact CD2-CZ 3.6Å; L5-F45 HydrophobicContact CG-CD1 3.66Å; L5-F45 HydrophobicContact CG-CE1 3.69Å; L5-F45 HydrophobicContact CG-CG 4.27Å; L5-F45 HydrophobicContact CG-CZ 4.3Å; V6-F45 CarbonylContact O-C 3.58Å; V6-F45 VanDerWaalsContact O-CA 3.26Å; V6-F45 WeakPolarHBondContact O-CA 2.99Å; L7-F45 HydrophobicContact CB-CD1 4.46Å; L7-F45 HydrophobicContact CB-CE1 4.43Å; L7-F45 HydrophobicContact CD1-CD1 4.2Å; L7-F45 HydrophobicContact CD1-CE1 3.87Å; L7-F45 HydrophobicContact CD1-CZ 4.48Å; L43-F45 HydrophobicContact CB-CE1 4.49Å; L43-F45 HydrophobicContact CB-CE2 3.82Å; L43-F45 HydrophobicContact CB-CZ 3.74Å; L43-F45 HydrophobicContact CD1-CZ 3.88Å; L43-F45 HydrophobicContact CG-CZ 4.47Å; F45-R48 VanDerWaalsContact CB-O 3.23Å; F45-R48 WeakPolarHBondContact CB-O 3.12Å; F45-C98 PolarHBondContact N-O 2.84Å; F45-C98 VanDerWaalsContact O-CB 3.25Å; F45-C98 WeakPolarHBondContact O-CB 3.37Å; F45-L100 HydrophobicContact CE2-CB 3.86Å; F45-L100 HydrophobicContact CE2-CD2 4.26Å
46	E	93.5	Very high	94.7	Very high	134 Å²	134	43 Å²	43	63%	0.626	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.7	170.7	-169.1	178.3	-178.4	0	0	110.1	V6 R48	V6-E46 HydrophobicContact CB-CB 4.39Å; V6-E46 HydrophobicContact CG1-CB 4.3Å; V6-E46 PolarHBondContact O-N 3.08Å; E46-R48 PolarHBondContact O-N 3.1Å; E46-R48 VanDerWaalsContact O-N 3.08Å
47	G	90.6	Very high	94.6	Very high	68 Å²	68	42.1 Å²	42.1	70%	0.701	25%	0.25	S	C	*	.	S	Bend	trans	85.1	-67.8	174.9	0	0	0	0	0	114.2
48	R	92.1	Very high	94.6	Very high	37 Å²	37	41.2 Å²	41.2	14%	0.14	25%	0.247	C	C	.	.	S	Bend	trans	-133.7	156	-179.3	72.7	176.1	-172.5	81	1.5	112.4	E3 L5 F45 E46 D55	E3-R48 VanDerWaalsContact O-CZ 3.26Å; E3-R48 PolarHBondContact O-NE 3.31Å; E3-R48 PolarHBondContact O-NH2 3.18Å; L5-R48 HydrophobicContact CD1-CG 4.43Å; F45-R48 VanDerWaalsContact CB-O 3.23Å; F45-R48 WeakPolarHBondContact CB-O 3.12Å; E46-R48 PolarHBondContact O-N 3.1Å; E46-R48 VanDerWaalsContact O-N 3.08Å; R48-D55 IonicContact CZ-OD1 2.93Å; R48-D55 IonicContact CZ-OD2 2.92Å; R48-D55 IonicContact NH1-OD1 3.32Å; R48-D55 IonicContact NH1-OD2 2.74Å; R48-D55 PolarHBondContact NH1-OD2 3.05Å; R48-D55 VanDerWaalsContact NH2-CG 3.34Å; R48-D55 IonicContact NH2-OD1 3.7Å; R48-D55 PolarHBondContact NH2-OD1 2.94Å; R48-D55 IonicContact NH2-OD2 3.39Å; R48-D55 PolarHBondContact NH2-OD2 3.43Å
49	N	93.3	Very high	94.6	Very high	14 Å²	14	38.6 Å²	38.6	8%	0.075	23%	0.23	C	C	.	.			trans	-84.6	172.8	175	-151.5	-26.5	0	0	0	111.5	E51 Q95 D97 T99	N49-E51 PolarHBondContact O-N 2.66Å; N49-Q95 WeakPolarHBondContact ND2-CG 3.28Å; N49-Q95 PolarHBondContact OD1-NE2 2.82Å; N49-D97 VanDerWaalsContact CB-O 3.29Å; N49-D97 WeakPolarHBondContact CB-O 3.35Å; N49-D97 PolarHBondContact ND2-O 3.39Å; N49-T99 PolarHBondContact ND2-N 3.47Å; N49-T99 PolarHBondContact ND2-O 2.93Å
50	Y	93.4	Very high	94.6	Very high	21 Å²	21	39.2 Å²	39.2	8%	0.082	23%	0.234	C	C	.	.			trans	-55.6	129.8	173	168.7	-112.4	0	0	0	111.5	A52 D55 L57 L79 V92 Q95 L100	Y50-A52 HydrophobicContact CE1-CB 3.82Å; Y50-A52 WeakPolarHBondContact OH-CA 3.18Å; Y50-A52 WeakPolarHBondContact OH-CB 3.46Å; Y50-D55 HydrophobicContact CD2-CB 3.7Å; Y50-D55 HydrophobicContact CE2-CB 3.73Å; Y50-D55 WeakPolarHBondContact CE2-O 3.35Å; Y50-L57 HydrophobicContact CD2-CD1 3.7Å; Y50-L57 HydrophobicContact CD2-CG 3.9Å; Y50-L57 HydrophobicContact CE2-CD1 4.11Å; Y50-L57 HydrophobicContact CE2-CG 3.93Å; Y50-L57 HydrophobicContact CG-CD1 4.26Å; Y50-L79 HydrophobicContact CD1-CD2 4.3Å; Y50-L79 HydrophobicContact CE1-CD2 3.84Å; Y50-L79 HydrophobicContact CE2-CD2 4.18Å; Y50-V92 HydrophobicContact CE1-CG2 4.35Å; Y50-Q95 PolarHBondContact O-NE2 2.9Å; Y50-L100 HydrophobicContact CD1-CD1 4.18Å; Y50-L100 HydrophobicContact CD1-CD2 4.15Å; Y50-L100 HydrophobicContact CG-CD2 4.04Å
51	E	92.6	Very high	94.6	Very high	89 Å²	89	35.6 Å²	35.6	42%	0.416	22%	0.22	S	C	.	.			trans	-121.5	104.9	174.9	-74.5	179.9	-152	0	0	109.4	N49 S53 V54 D55	N49-E51 PolarHBondContact O-N 2.66Å; E51-S53 PolarHBondContact O-N 2.94Å; E51-V54 HydrophobicContact CB-CG2 3.42Å; E51-V54 VanDerWaalsContact CB-CG2 3.42Å; E51-V54 HydrophobicContact CG-CG2 4.4Å; E51-V54 PolarHBondContact O-N 2.97Å; E51-D55 PolarHBondContact N-OD2 2.73Å; E51-D55 PolarHBondContact O-N 2.84Å
52	A	90.7	Very high	94.6	Very high	67 Å²	67	36.6 Å²	36.6	55%	0.554	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-24.6	-174.9	0	0	0	0	0	114.8	Y50	Y50-A52 HydrophobicContact CE1-CB 3.82Å; Y50-A52 WeakPolarHBondContact OH-CA 3.18Å; Y50-A52 WeakPolarHBondContact OH-CB 3.46Å
53	S	90	Very high	94.6	Very high	110 Å²	110	36.4 Å²	36.4	77%	0.769	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-20.6	176.7	49.9	0	0	0	0	114.7	E51	E51-S53 PolarHBondContact O-N 2.94Å
54	V	91.3	Very high	94.6	Very high	54 Å²	54	38 Å²	38	33%	0.327	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-24.5	-174.8	-62.3	0	0	0	0	113.8	A2 E51 G124	A2-V54 HydrophobicContact CB-CB 4.26Å; A2-V54 HydrophobicContact CB-CG1 4.47Å; A2-V54 HydrophobicContact CB-CG2 4.38Å; E51-V54 HydrophobicContact CB-CG2 3.42Å; E51-V54 VanDerWaalsContact CB-CG2 3.42Å; E51-V54 HydrophobicContact CG-CG2 4.4Å; E51-V54 PolarHBondContact O-N 2.97Å; V54-G124 PolarHBondContact O-N 3.37Å
55	D	92.4	Very high	94.6	Very high	8 Å²	8	40.8 Å²	40.8	4%	0.043	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.6	-177.9	-59.8	-43	0	0	0	111.7	R48 Y50 E51 S122 T123	R48-D55 IonicContact CZ-OD1 2.93Å; R48-D55 IonicContact CZ-OD2 2.92Å; R48-D55 IonicContact NH1-OD1 3.32Å; R48-D55 IonicContact NH1-OD2 2.74Å; R48-D55 PolarHBondContact NH1-OD2 3.05Å; R48-D55 VanDerWaalsContact NH2-CG 3.34Å; R48-D55 IonicContact NH2-OD1 3.7Å; R48-D55 PolarHBondContact NH2-OD1 2.94Å; R48-D55 IonicContact NH2-OD2 3.39Å; R48-D55 PolarHBondContact NH2-OD2 3.43Å; Y50-D55 HydrophobicContact CD2-CB 3.7Å; Y50-D55 HydrophobicContact CE2-CB 3.73Å; Y50-D55 WeakPolarHBondContact CE2-O 3.35Å; E51-D55 PolarHBondContact N-OD2 2.73Å; E51-D55 PolarHBondContact O-N 2.84Å; D55-S122 WeakPolarHBondContact CA-O 3.49Å; D55-T123 WeakPolarHBondContact OD1-CB 3.43Å; D55-T123 WeakPolarHBondContact OD1-CG2 3.36Å; D55-T123 PolarHBondContact OD1-OG1 2.91Å
56	S	93.4	Very high	94.7	Very high	58 Å²	58	43.3 Å²	43.3	41%	0.406	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.9	166.4	-170.4	0	0	0	0	109.5	S122	S56-S122 WeakPolarHBondContact CB-OG 3.42Å; S56-S122 PolarHBondContact N-O 3.26Å; S56-S122 PolarHBondContact O-N 2.91Å; S56-S122 PolarHBondContact O-OG 2.91Å
57	L	95.6	Very high	94.9	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.8	177.1	-62.5	-171	0	0	0	109.1	L5 Y50 L79 L100 L119 A121	L5-L57 HydrophobicContact CD2-CD1 4.36Å; L5-L57 HydrophobicContact CD2-CD2 3.9Å; Y50-L57 HydrophobicContact CD2-CD1 3.7Å; Y50-L57 HydrophobicContact CD2-CG 3.9Å; Y50-L57 HydrophobicContact CE2-CD1 4.11Å; Y50-L57 HydrophobicContact CE2-CG 3.93Å; Y50-L57 HydrophobicContact CG-CD1 4.26Å; L57-L79 HydrophobicContact CB-CB 4Å; L57-L79 HydrophobicContact CB-CD2 4.1Å; L57-L79 HydrophobicContact CD1-CD2 3.88Å; L57-L79 HydrophobicContact CG-CD2 4.37Å; L57-L79 PolarHBondContact O-N 3.08Å; L57-L100 HydrophobicContact CD1-CD2 4.16Å; L57-L119 HydrophobicContact CB-CD1 4.01Å; L57-L119 HydrophobicContact CD2-CD1 4.24Å; L57-L119 HydrophobicContact CD2-CD2 4.5Å; L57-A121 HydrophobicContact CD2-CB 3.41Å; L57-A121 VanDerWaalsContact CD2-CB 3.41Å
58	T	96	Very high	95.2	Very high	21 Å²	21	38.2 Å²	38.2	13%	0.129	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	123.2	175	-57.9	0	0	0	0	110.5	R76 E120	T58-R76 HydrophobicContact CG2-CG 3.46Å; T58-R76 VanDerWaalsContact CG2-CG 3.46Å; T58-R76 VanDerWaalsContact CG2-NE 3.34Å; T58-E120 PolarHBondContact N-O 2.9Å; T58-E120 PolarHBondContact O-N 2.87Å
59	F	97.8	Very high	95.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	148.9	175.6	-64.9	-88.4	0	0	0	110.4	L41 L43 R76 F77 L79 A90 L102 L117 S118 L119 L132	L41-F59 HydrophobicContact CD2-CE1 3.91Å; L41-F59 HydrophobicContact CD2-CZ 4.47Å; L43-F59 HydrophobicContact CD1-CZ 4.39Å; F59-R76 CarbonylContact O-C 3.57Å; F59-R76 VanDerWaalsContact O-CA 3.25Å; F59-R76 WeakPolarHBondContact O-CA 3.39Å; F59-F77 HydrophobicContact CB-CD2 3.91Å; F59-F77 HydrophobicContact CB-CE1 4.19Å; F59-F77 HydrophobicContact CB-CE2 3.52Å; F59-F77 HydrophobicContact CB-CG 4.42Å; F59-F77 HydrophobicContact CB-CZ 3.66Å; F59-F77 HydrophobicContact CD2-CD2 4.5Å; F59-F77 HydrophobicContact CD2-CE2 4.31Å; F59-F77 HydrophobicContact CG-CE2 4.08Å; F59-F77 PolarHBondContact N-O 2.72Å; F59-F77 PolarHBondContact O-N 2.79Å; F59-L79 HydrophobicContact CE2-CB 4.36Å; F59-L79 HydrophobicContact CE2-CD1 4.36Å; F59-A90 HydrophobicContact CD2-CB 3.46Å; F59-A90 VanDerWaalsContact CD2-CB 3.46Å; F59-A90 HydrophobicContact CE2-CB 3.56Å; F59-A90 HydrophobicContact CG-CB 4.37Å; F59-L102 HydrophobicContact CE1-CD1 4.39Å; F59-L102 HydrophobicContact CE2-CD1 4.25Å; F59-L102 HydrophobicContact CZ-CD1 3.53Å; F59-L117 HydrophobicContact CD1-CD1 4.12Å; F59-S118 CarbonylContact C-O 3.53Å; F59-S118 WeakPolarHBondContact CA-O 3.45Å; F59-L119 HydrophobicContact CD1-CD1 4.12Å; F59-L119 HydrophobicContact CE1-CD1 3.86Å; F59-L119 HydrophobicContact CE2-CD1 4.28Å; F59-L119 HydrophobicContact CG-CD1 4.46Å; F59-L119 HydrophobicContact CZ-CD1 3.92Å; F59-L132 HydrophobicContact CD1-CD1 4.12Å; F59-L132 HydrophobicContact CE1-CD1 3.73Å
60	S	98	Very high	95.5	Very high	14 Å²	14	51 Å²	51	10%	0.098	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	138.4	166.6	65.9	0	0	0	0	111.2	A75 S118	S60-A75 CarbonylContact C-O 3.39Å; S60-A75 VanDerWaalsContact CA-O 3.26Å; S60-A75 WeakPolarHBondContact CA-O 3.4Å; S60-S118 PolarHBondContact N-O 2.85Å; S60-S118 PolarHBondContact O-N 2.88Å
61	V	98.6	Very high	95.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.2	178.5	-63.8	0	0	0	0	109.5	K74 A75 F77 W88 Y115 R116 L117 F135	V61-K74 VanDerWaalsContact O-CA 3.28Å; V61-K74 WeakPolarHBondContact O-CA 3.47Å; V61-A75 HydrophobicContact CG2-CB 3.78Å; V61-A75 PolarHBondContact N-O 3.36Å; V61-A75 PolarHBondContact O-N 2.92Å; V61-F77 HydrophobicContact CG1-CE1 4.09Å; V61-F77 HydrophobicContact CG1-CZ 4.19Å; V61-F77 HydrophobicContact CG2-CE1 4.02Å; V61-W88 HydrophobicContact CB-CH2 4.31Å; V61-W88 HydrophobicContact CB-CZ3 4.25Å; V61-W88 HydrophobicContact CG1-CE3 4.27Å; V61-W88 HydrophobicContact CG1-CH2 4.34Å; V61-W88 HydrophobicContact CG1-CZ3 3.85Å; V61-W88 HydrophobicContact CG2-CD2 3.86Å; V61-W88 HydrophobicContact CG2-CE3 3.84Å; V61-W88 HydrophobicContact CG2-CH2 3.8Å; V61-W88 HydrophobicContact CG2-CZ2 3.82Å; V61-W88 HydrophobicContact CG2-CZ3 3.8Å; V61-Y115 HydrophobicContact CB-CD1 4.03Å; V61-Y115 HydrophobicContact CG2-CD1 4.35Å; V61-Y115 HydrophobicContact CG2-CE1 4.46Å; V61-R116 WeakPolarHBondContact CA-O 3.36Å; V61-L117 HydrophobicContact CG1-CD1 3.48Å; V61-L117 VanDerWaalsContact CG1-CD1 3.48Å; V61-F135 HydrophobicContact CG1-CE1 4.22Å; V61-F135 HydrophobicContact CG1-CZ 4.28Å
62	V	98.6	Very high	95.8	Very high	22 Å²	22	48.6 Å²	48.6	13%	0.133	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	139.5	176.6	-67.6	0	0	0	0	110.8	P67 T73 K74 Y115 R116	V62-P67 HydrophobicContact CB-CB 3.78Å; V62-P67 HydrophobicContact CB-CG 3.75Å; V62-P67 HydrophobicContact CG1-CB 3.71Å; V62-P67 HydrophobicContact CG1-CG 4.05Å; V62-T73 WeakPolarHBondContact CA-O 3.32Å; V62-K74 HydrophobicContact CG1-CB 4.07Å; V62-K74 HydrophobicContact CG1-CD 3.97Å; V62-K74 HydrophobicContact CG1-CG 3.74Å; V62-Y115 WeakPolarHBondContact O-CA 3.38Å; V62-R116 HydrophobicContact CG2-CB 3.96Å; V62-R116 PolarHBondContact N-O 2.86Å; V62-R116 VanDerWaalsContact N-O 3.16Å; V62-R116 PolarHBondContact O-N 2.84Å
63	T	98.6	Very high	96.2	Very high	10 Å²	10	45.5 Å²	45.5	6%	0.061	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	153.8	169.8	-170.8	0	0	0	0	110.6	T73 L114 Y115	T63-T73 HydrophobicContact CG2-CG2 3.99Å; T63-T73 PolarHBondContact N-O 2.88Å; T63-L114 WeakPolarHBondContact CB-O 3.42Å; T63-L114 PolarHBondContact OG1-O 3.47Å; T63-Y115 HydrophobicContact CG2-CD1 4.24Å; T63-Y115 HydrophobicContact CG2-CE1 3.54Å; T63-Y115 HydrophobicContact CG2-CE2 3.86Å; T63-Y115 WeakPolarHBondContact CG2-OH 3.26Å
64	G	97.1	Very high	96.6	Very high	33 Å²	33	44.6 Å²	44.6	34%	0.34	27%	0.272	S	S	.	.	S	Bend	trans	72.4	170.9	-178.1	0	0	0	0	0	114.5
65	P	97.4	Very high	96.9	Very high	89 Å²	89	42.7 Å²	42.7	58%	0.578	26%	0.262	S	S	*	.	S	Bend	trans	-79.8	-17.5	-175.3	30.8	-35.2	0	0	0	113.9	F203 A207	P65-F203 HydrophobicContact CG-CE2 4.29Å; P65-F203 HydrophobicContact CG-CZ 3.98Å; P65-A207 HydrophobicContact CG-CB 3.48Å; P65-A207 VanDerWaalsContact CG-CB 3.48Å
66	A	97.4	Very high	97.1	Very high	58 Å²	58	48 Å²	48	48%	0.479	28%	0.281	S	S	.	.	S	Bend	trans	-128.5	73.5	177.5	0	0	0	0	0	111.1
67	P	97.3	Very high	97.1	Very high	53 Å²	53	45.7 Å²	45.7	34%	0.344	26%	0.264	S	S	.	.			trans	-68.7	133.4	-175.3	-18.1	32.1	0	0	0	112.5	V62 T73 K74	V62-P67 HydrophobicContact CB-CB 3.78Å; V62-P67 HydrophobicContact CB-CG 3.75Å; V62-P67 HydrophobicContact CG1-CB 3.71Å; V62-P67 HydrophobicContact CG1-CG 4.05Å; P67-T73 WeakPolarHBondContact CA-OG1 3.4Å; P67-K74 HydrophobicContact CB-CB 3.92Å
68	S	97.8	Very high	97.1	Very high	42 Å²	42	48.1 Å²	48.1	29%	0.294	28%	0.28	S	S	.	.			trans	-142.1	140.6	177.9	171.5	0	0	0	0	111.1	E70 A71 G72 T73 K74	S68-E70 PolarHBondContact OG-N 2.79Å; S68-A71 PolarHBondContact O-N 2.87Å; S68-G72 PolarHBondContact O-N 2.97Å; S68-T73 PolarHBondContact N-OG1 2.71Å; S68-T73 PolarHBondContact O-N 3.12Å; S68-T73 PolarHBondContact O-OG1 2.88Å; S68-K74 PolarHBondContact O-N 2.84Å; S68-K74 VanDerWaalsContact O-N 3.08Å
69	Q	95.9	Very high	97	Very high	125 Å²	125	48 Å²	48	58%	0.584	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-44.3	176.5	-72.2	-179.6	-52.2	0	0	111.4	A71 G72 K74	Q69-A71 PolarHBondContact O-N 2.92Å; Q69-G72 PolarHBondContact O-N 3Å; Q69-K74 WeakPolarHBondContact CA-O 3.31Å; Q69-K74 HydrophobicContact CG-CB 4.29Å; Q69-K74 HydrophobicContact CG-CD 4.48Å; Q69-K74 HydrophobicContact CG-CG 4.12Å; Q69-K74 WeakPolarHBondContact CG-O 3.19Å
70	E	95.8	Very high	96.4	Very high	194 Å²	194	53.6 Å²	53.6	91%	0.907	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.9	176.5	-63.9	172.8	-179.2	0	0	112.2	S68 G72	S68-E70 PolarHBondContact OG-N 2.79Å; E70-G72 VanDerWaalsContact C-N 3.32Å
71	A	95.9	Very high	95.3	Very high	28 Å²	28	59.7 Å²	59.7	23%	0.231	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-3.8	178.7	0	0	0	0	0	113.5	S68 Q69 T73 S212	S68-A71 PolarHBondContact O-N 2.87Å; Q69-A71 PolarHBondContact O-N 2.92Å; A71-T73 PolarHBondContact O-N 3.38Å; A71-S212 WeakPolarHBondContact O-CB 3.47Å; A71-S212 PolarHBondContact O-OG 2.76Å
72	G	96.9	Very high	94	Very high	33 Å²	33	63 Å²	63	34%	0.34	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	3.4	-175.6	0	0	0	0	0	115	S68 Q69 E70 P111	S68-G72 PolarHBondContact O-N 2.97Å; Q69-G72 PolarHBondContact O-N 3Å; E70-G72 VanDerWaalsContact C-N 3.32Å; G72-P111 WeakPolarHBondContact O-CD 3.44Å
73	T	98.3	Very high	92.9	Very high	1 Å²	1	66 Å²	66	1%	0.006	38%	0.376	C	S	.	.	S	Bend	trans	-90.2	-3.6	-179.2	55.7	0	0	0	0	113.3	V62 T63 P67 S68 A71 P111 C211	V62-T73 WeakPolarHBondContact CA-O 3.32Å; T63-T73 HydrophobicContact CG2-CG2 3.99Å; T63-T73 PolarHBondContact N-O 2.88Å; P67-T73 WeakPolarHBondContact CA-OG1 3.4Å; S68-T73 PolarHBondContact N-OG1 2.71Å; S68-T73 PolarHBondContact O-N 3.12Å; S68-T73 PolarHBondContact O-OG1 2.88Å; A71-T73 PolarHBondContact O-N 3.38Å; T73-P111 HydrophobicContact CG2-CG 4.34Å; T73-C211 HydrophobicContact CG2-CB 4.04Å
74	K	98.3	Very high	91.4	Very high	91 Å²	91	70.3 Å²	70.3	40%	0.396	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.7	170.8	177.1	172.3	-178	-176.9	0	109.8	V61 V62 P67 S68 Q69	V61-K74 VanDerWaalsContact O-CA 3.28Å; V61-K74 WeakPolarHBondContact O-CA 3.47Å; V62-K74 HydrophobicContact CG1-CB 4.07Å; V62-K74 HydrophobicContact CG1-CD 3.97Å; V62-K74 HydrophobicContact CG1-CG 3.74Å; P67-K74 HydrophobicContact CB-CB 3.92Å; S68-K74 PolarHBondContact O-N 2.84Å; S68-K74 VanDerWaalsContact O-N 3.08Å; Q69-K74 WeakPolarHBondContact CA-O 3.31Å; Q69-K74 HydrophobicContact CG-CB 4.29Å; Q69-K74 HydrophobicContact CG-CD 4.48Å; Q69-K74 HydrophobicContact CG-CG 4.12Å; Q69-K74 WeakPolarHBondContact CG-O 3.19Å
75	A	97.3	Very high	89.8	Confident	14 Å²	14	78 Å²	78	12%	0.116	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150.7	169	0	0	0	0	0	110.4	S60 V61 F77 W88	S60-A75 CarbonylContact C-O 3.39Å; S60-A75 VanDerWaalsContact CA-O 3.26Å; S60-A75 WeakPolarHBondContact CA-O 3.4Å; V61-A75 HydrophobicContact CG2-CB 3.78Å; V61-A75 PolarHBondContact N-O 3.36Å; V61-A75 PolarHBondContact O-N 2.92Å; A75-F77 HydrophobicContact CB-CD1 4.28Å; A75-F77 HydrophobicContact CB-CE1 4.48Å; A75-W88 HydrophobicContact CB-CB 4.15Å; A75-W88 HydrophobicContact CB-CD2 4.16Å; A75-W88 HydrophobicContact CB-CG 3.63Å
76	R	96.1	Very high	88.3	Confident	120 Å²	120	76.6 Å²	76.6	45%	0.453	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	123.6	175.5	-177.7	-172.3	177.8	109.9	4.3	107.8	T58 F59 E120	T58-R76 HydrophobicContact CG2-CG 3.46Å; T58-R76 VanDerWaalsContact CG2-CG 3.46Å; T58-R76 VanDerWaalsContact CG2-NE 3.34Å; F59-R76 CarbonylContact O-C 3.57Å; F59-R76 VanDerWaalsContact O-CA 3.25Å; F59-R76 WeakPolarHBondContact O-CA 3.39Å; R76-E120 IonicContact CZ-OE1 2.7Å; R76-E120 IonicContact CZ-OE2 2.85Å; R76-E120 IonicContact NH1-OE1 3.79Å; R76-E120 PolarHBondContact NH1-OE1 2.82Å; R76-E120 IonicContact NH1-OE2 3.81Å; R76-E120 PolarHBondContact NH1-OE2 2.93Å; R76-E120 IonicContact NH2-OE1 3.85Å; R76-E120 IonicContact NH2-OE2 3.92Å; R76-E120 PolarHBondContact NH2-OE2 3.26Å
77	F	95.4	Very high	87.6	Confident	9 Å²	9	79.1 Å²	79.1	4%	0.039	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	131.2	-170.6	48	-82	0	0	0	110.5	F59 V61 A75 W88 A90 L104	F59-F77 HydrophobicContact CB-CD2 3.91Å; F59-F77 HydrophobicContact CB-CE1 4.19Å; F59-F77 HydrophobicContact CB-CE2 3.52Å; F59-F77 HydrophobicContact CB-CG 4.42Å; F59-F77 HydrophobicContact CB-CZ 3.66Å; F59-F77 HydrophobicContact CD2-CD2 4.5Å; F59-F77 HydrophobicContact CD2-CE2 4.31Å; F59-F77 HydrophobicContact CG-CE2 4.08Å; F59-F77 PolarHBondContact N-O 2.72Å; F59-F77 PolarHBondContact O-N 2.79Å; V61-F77 HydrophobicContact CG1-CE1 4.09Å; V61-F77 HydrophobicContact CG1-CZ 4.19Å; V61-F77 HydrophobicContact CG2-CE1 4.02Å; A75-F77 HydrophobicContact CB-CD1 4.28Å; A75-F77 HydrophobicContact CB-CE1 4.48Å; F77-W88 HydrophobicContact CB-CB 4.41Å; F77-W88 VanDerWaalsContact CB-O 3.31Å; F77-W88 WeakPolarHBondContact CB-O 3.44Å; F77-W88 HydrophobicContact CD1-CB 3.37Å; F77-W88 HydrophobicContact CD1-CG 4.14Å; F77-W88 HydrophobicContact CD2-CB 4.43Å; F77-W88 HydrophobicContact CE1-CB 3.6Å; F77-W88 AromaticContact CE1-CD2 3.96Å; F77-W88 HydrophobicContact CE1-CD2 3.96Å; F77-W88 AromaticContact CE1-CE3 3.63Å; F77-W88 HydrophobicContact CE1-CE3 3.63Å; F77-W88 AromaticContact CE1-CG 3.99Å; F77-W88 HydrophobicContact CE1-CG 3.99Å; F77-W88 HydrophobicContact CG-CB 3.84Å; F77-W88 HydrophobicContact CZ-CB 4.21Å; F77-W88 HydrophobicContact CZ-CD2 4.43Å; F77-W88 AromaticContact CZ-CE3 3.69Å; F77-W88 HydrophobicContact CZ-CE3 3.69Å; F77-W88 HydrophobicContact CZ-CZ3 4.48Å; F77-A90 HydrophobicContact CD2-CB 3.96Å; F77-A90 HydrophobicContact CE2-CB 3.9Å; F77-L104 HydrophobicContact CE2-CD2 4.47Å; F77-L104 HydrophobicContact CE2-CG 4.36Å; F77-L104 HydrophobicContact CZ-CD2 4.46Å
78	P	94.9	Very high	87.5	Confident	53 Å²	53	77.8 Å²	77.8	34%	0.344	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	157.7	179.3	32.9	-35.4	0	0	0	111.3	R80	P78-R80 HydrophobicContact CG-CG 4.38Å
79	L	93.4	Very high	87.3	Confident	19 Å²	19	76.3 Å²	76.3	10%	0.099	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	134.1	166.8	-176.4	62.8	0	0	0	110	Y50 L57 F59 A90 V92 L100 L102	Y50-L79 HydrophobicContact CD1-CD2 4.3Å; Y50-L79 HydrophobicContact CE1-CD2 3.84Å; Y50-L79 HydrophobicContact CE2-CD2 4.18Å; L57-L79 HydrophobicContact CB-CB 4Å; L57-L79 HydrophobicContact CB-CD2 4.1Å; L57-L79 HydrophobicContact CD1-CD2 3.88Å; L57-L79 HydrophobicContact CG-CD2 4.37Å; L57-L79 PolarHBondContact O-N 3.08Å; F59-L79 HydrophobicContact CE2-CB 4.36Å; F59-L79 HydrophobicContact CE2-CD1 4.36Å; L79-A90 HydrophobicContact CD1-CB 4.13Å; L79-V92 HydrophobicContact CD1-CG2 3.79Å; L79-V92 HydrophobicContact CD2-CG2 3.76Å; L79-V92 HydrophobicContact CG-CG2 3.91Å; L79-L100 HydrophobicContact CD2-CD2 4.24Å; L79-L102 HydrophobicContact CD1-CD2 3.6Å; L79-L102 HydrophobicContact CD2-CD2 4.39Å
80	R	85.1	Confident	87.4	Confident	118 Å²	118	70.4 Å²	70.4	45%	0.445	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	164.8	-179.8	-64.2	-170.5	178.1	-145.9	15.6	112.2	P78 E84 A90 T91 V92	P78-R80 HydrophobicContact CG-CG 4.38Å; R80-E84 IonicContact CZ-OE1 2.88Å; R80-E84 IonicContact NH1-OE1 3.89Å; R80-E84 PolarHBondContact NH1-OE1 2.91Å; R80-E84 IonicContact NH2-OE1 3.81Å; R80-A90 PolarHBondContact N-O 3.15Å; R80-T91 VanDerWaalsContact O-CA 3.24Å; R80-T91 WeakPolarHBondContact O-CA 3.42Å; R80-V92 PolarHBondContact O-N 2.96Å
81	D	75.3	Confident	87.3	Confident	142 Å²	142	61.7 Å²	61.7	76%	0.759	34%	0.34	S	S	*	.	S	Bend	trans	-84.3	-17.3	177.2	-57.6	-34.7	0	0	0	113.2
82	A	71.9	Confident	87.3	Confident	69 Å²	69	62.2 Å²	62.2	57%	0.57	34%	0.34	S	S	*	.	S	Bend	trans	-137.4	150.9	-177.4	0	0	0	0	0	112
83	V	74.4	Confident	87.1	Confident	85 Å²	85	63.9 Å²	63.9	52%	0.515	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-76.6	129.2	-179.7	-178.9	0	0	0	0	110.1	T91	V83-T91 HydrophobicContact CG2-CG2 3.9Å
84	E	67.2	Low	86.9	Confident	101 Å²	101	67.9 Å²	67.9	47%	0.472	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-93.6	124.6	160.8	-74.2	177.8	-179	0	0	108.1	R80 T89	R80-E84 IonicContact CZ-OE1 2.88Å; R80-E84 IonicContact NH1-OE1 3.89Å; R80-E84 PolarHBondContact NH1-OE1 2.91Å; R80-E84 IonicContact NH2-OE1 3.81Å; E84-T89 HydrophobicContact CB-CG2 4.35Å; E84-T89 VanDerWaalsContact O-CG2 3.28Å; E84-T89 WeakPolarHBondContact O-CG2 3.29Å
85	E	63.4	Low	86.8	Confident	193 Å²	193	67.6 Å²	67.6	90%	0.902	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	137.1	-177.7	-71.6	-178.5	179	0	0	111.7
86	G	66.8	Low	86.6	Confident	60 Å²	60	72.5 Å²	72.5	62%	0.619	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.6	-9.2	166.3	0	0	0	0	0	116.7	P107	G86-P107 WeakPolarHBondContact O-CB 3.34Å
87	D	81.8	Confident	86.4	Confident	111 Å²	111	73.1 Å²	73.1	59%	0.594	40%	0.398	S	S	*	.	S	Bend	trans	-126.1	178.4	-179.2	-81.7	-33.1	0	0	0	112.6	T89	D87-T89 PolarHBondContact O-N 2.84Å
88	W	94.6	Very high	86.4	Confident	25 Å²	25	74.9 Å²	74.9	10%	0.095	41%	0.411	C	S	.	.			trans	-67.5	127	170.1	-73.3	82	0	0	0	110.7	V61 A75 F77 T105 T106 P107 A110 Y115 F135 L137	V61-W88 HydrophobicContact CB-CH2 4.31Å; V61-W88 HydrophobicContact CB-CZ3 4.25Å; V61-W88 HydrophobicContact CG1-CE3 4.27Å; V61-W88 HydrophobicContact CG1-CH2 4.34Å; V61-W88 HydrophobicContact CG1-CZ3 3.85Å; V61-W88 HydrophobicContact CG2-CD2 3.86Å; V61-W88 HydrophobicContact CG2-CE3 3.84Å; V61-W88 HydrophobicContact CG2-CH2 3.8Å; V61-W88 HydrophobicContact CG2-CZ2 3.82Å; V61-W88 HydrophobicContact CG2-CZ3 3.8Å; A75-W88 HydrophobicContact CB-CB 4.15Å; A75-W88 HydrophobicContact CB-CD2 4.16Å; A75-W88 HydrophobicContact CB-CG 3.63Å; F77-W88 HydrophobicContact CB-CB 4.41Å; F77-W88 VanDerWaalsContact CB-O 3.31Å; F77-W88 WeakPolarHBondContact CB-O 3.44Å; F77-W88 HydrophobicContact CD1-CB 3.37Å; F77-W88 HydrophobicContact CD1-CG 4.14Å; F77-W88 HydrophobicContact CD2-CB 4.43Å; F77-W88 HydrophobicContact CE1-CB 3.6Å; F77-W88 AromaticContact CE1-CD2 3.96Å; F77-W88 HydrophobicContact CE1-CD2 3.96Å; F77-W88 AromaticContact CE1-CE3 3.63Å; F77-W88 HydrophobicContact CE1-CE3 3.63Å; F77-W88 AromaticContact CE1-CG 3.99Å; F77-W88 HydrophobicContact CE1-CG 3.99Å; F77-W88 HydrophobicContact CG-CB 3.84Å; F77-W88 HydrophobicContact CZ-CB 4.21Å; F77-W88 HydrophobicContact CZ-CD2 4.43Å; F77-W88 AromaticContact CZ-CE3 3.69Å; F77-W88 HydrophobicContact CZ-CE3 3.69Å; F77-W88 HydrophobicContact CZ-CZ3 4.48Å; W88-T105 WeakPolarHBondContact CA-O 3.48Å; W88-T106 HydrophobicContact CE3-CG2 3.93Å; W88-T106 HydrophobicContact CH2-CG2 3.55Å; W88-T106 HydrophobicContact CZ2-CG2 4.23Å; W88-T106 HydrophobicContact CZ3-CG2 3.4Å; W88-P107 HydrophobicContact CG-CG 4.45Å; W88-A110 HydrophobicContact CZ2-CB 4.43Å; W88-Y115 HydrophobicContact CH2-CD1 4.34Å; W88-Y115 HydrophobicContact CH2-CE1 4.22Å; W88-Y115 HydrophobicContact CZ2-CD1 4.49Å; W88-Y115 AromaticContact CZ2-CE1 3.93Å; W88-Y115 HydrophobicContact CZ2-CE1 3.93Å; W88-F135 HydrophobicContact CH2-CE2 4.22Å; W88-F135 AromaticContact CH2-CZ 3.79Å; W88-F135 HydrophobicContact CH2-CZ 3.79Å; W88-F135 AromaticContact CZ3-CZ 3.93Å; W88-F135 HydrophobicContact CZ3-CZ 3.93Å; W88-L137 HydrophobicContact CH2-CD2 4.25Å; W88-L137 HydrophobicContact CZ2-CD2 4.3Å
89	T	95.5	Very high	86.4	Confident	12 Å²	12	74.1 Å²	74.1	7%	0.074	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	153.5	179.2	64.4	0	0	0	0	111.8	E84 D87 L104 T105	E84-T89 HydrophobicContact CB-CG2 4.35Å; E84-T89 VanDerWaalsContact O-CG2 3.28Å; E84-T89 WeakPolarHBondContact O-CG2 3.29Å; D87-T89 PolarHBondContact O-N 2.84Å; T89-L104 CarbonylContact O-C 3.49Å; T89-L104 VanDerWaalsContact O-CA 3.31Å; T89-L104 WeakPolarHBondContact O-CA 3.39Å; T89-T105 PolarHBondContact N-O 3.29Å; T89-T105 PolarHBondContact O-N 3.03Å; T89-T105 VanDerWaalsContact OG1-CB 3.27Å; T89-T105 WeakPolarHBondContact OG1-CB 3.28Å; T89-T105 PolarHBondContact OG1-OG1 3.28Å
90	A	96.1	Very high	86.6	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.008	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127.7	168	0	0	0	0	0	108.3	F59 F77 L79 R80 Q103 L104	F59-A90 HydrophobicContact CD2-CB 3.46Å; F59-A90 VanDerWaalsContact CD2-CB 3.46Å; F59-A90 HydrophobicContact CE2-CB 3.56Å; F59-A90 HydrophobicContact CG-CB 4.37Å; F77-A90 HydrophobicContact CD2-CB 3.96Å; F77-A90 HydrophobicContact CE2-CB 3.9Å; L79-A90 HydrophobicContact CD1-CB 4.13Å; R80-A90 PolarHBondContact N-O 3.15Å; A90-Q103 WeakPolarHBondContact CA-O 3.27Å; A90-L104 HydrophobicContact CB-CD1 4.09Å; A90-L104 HydrophobicContact CB-CG 4.23Å
91	T	95.1	Very high	87.2	Confident	11 Å²	11	68.7 Å²	68.7	7%	0.067	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	141.8	-179.1	54.3	0	0	0	0	112.3	R80 V83 L102 Q103	R80-T91 VanDerWaalsContact O-CA 3.24Å; R80-T91 WeakPolarHBondContact O-CA 3.42Å; V83-T91 HydrophobicContact CG2-CG2 3.9Å; T91-L102 WeakPolarHBondContact O-CA 3.09Å; T91-Q103 PolarHBondContact N-O 3.33Å; T91-Q103 PolarHBondContact O-N 3.19Å
92	V	94.9	Very high	88.2	Confident	38 Å²	38	62 Å²	62	23%	0.23	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	126.6	171.6	-177.2	0	0	0	0	108.9	Y50 L79 R80 L100 L102	Y50-V92 HydrophobicContact CE1-CG2 4.35Å; L79-V92 HydrophobicContact CD1-CG2 3.79Å; L79-V92 HydrophobicContact CD2-CG2 3.76Å; L79-V92 HydrophobicContact CG-CG2 3.91Å; R80-V92 PolarHBondContact O-N 2.96Å; V92-L100 HydrophobicContact CG1-CD1 3.75Å; V92-L100 HydrophobicContact CG2-CD1 4.19Å; V92-L102 HydrophobicContact CB-CD2 4.43Å; V92-L102 HydrophobicContact CG2-CD2 3.99Å
93	V	94	Very high	89.4	Confident	69 Å²	69	61 Å²	61	42%	0.418	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-44.6	174.4	-178.8	0	0	0	0	111	W40 S101 Q103	W40-V93 HydrophobicContact CH2-CB 4.48Å; W40-V93 HydrophobicContact CH2-CG1 3.83Å; W40-V93 HydrophobicContact CH2-CG2 4.43Å; W40-V93 HydrophobicContact CZ3-CB 3.87Å; W40-V93 HydrophobicContact CZ3-CG1 3.67Å; W40-V93 HydrophobicContact CZ3-CG2 3.86Å; V93-S101 PolarHBondContact N-O 2.95Å; V93-Q103 HydrophobicContact CG2-CB 3.86Å; V93-Q103 HydrophobicContact CG2-CG 3.69Å
94	D	93.9	Very high	90.5	Very high	84 Å²	84	57 Å²	57	45%	0.449	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	154.8	178.8	-170.4	32.7	0	0	0	110.7	S101	D94-S101 PolarHBondContact N-O 3.16Å; D94-S101 PolarHBondContact O-N 2.83Å
95	Q	94.5	Very high	91.9	Very high	86 Å²	86	53.5 Å²	53.5	40%	0.402	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	114.1	178.8	-171.4	177.8	-15.4	0	0	109.4	N49 Y50 L100	N49-Q95 WeakPolarHBondContact ND2-CG 3.28Å; N49-Q95 PolarHBondContact OD1-NE2 2.82Å; Y50-Q95 PolarHBondContact O-NE2 2.9Å; Q95-L100 HydrophobicContact CB-CD1 4.06Å; Q95-L100 HydrophobicContact CG-CD1 3.95Å
96	Q	93.4	Very high	93.5	Very high	116 Å²	116	44.4 Å²	44.4	54%	0.542	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	135.7	-177.5	-171.8	175.7	6.1	0	0	110.6	C98 T99	Q96-C98 PolarHBondContact O-N 2.96Å; Q96-T99 PolarHBondContact N-O 2.81Å; Q96-T99 VanDerWaalsContact N-O 3.12Å; Q96-T99 WeakPolarHBondContact O-CA 3.45Å; Q96-T99 WeakPolarHBondContact O-CB 3.2Å; Q96-T99 PolarHBondContact O-N 2.95Å; Q96-T99 VanDerWaalsContact O-O 3.11Å; Q96-T99 PolarHBondContact O-OG1 2.81Å
97	D	92.8	Very high	95	Very high	134 Å²	134	42 Å²	42	72%	0.717	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	-120.7	-178.7	-58.6	-42.8	0	0	0	111.9	N49	N49-D97 VanDerWaalsContact CB-O 3.29Å; N49-D97 WeakPolarHBondContact CB-O 3.35Å; N49-D97 PolarHBondContact ND2-O 3.39Å
98	C	94.6	Very high	95.8	Very high	46 Å²	46	37.7 Å²	37.7	31%	0.311	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	24.8	174.2	-59.8	0	0	0	0	112.5	F45 Q96	F45-C98 PolarHBondContact N-O 2.84Å; F45-C98 VanDerWaalsContact O-CB 3.25Å; F45-C98 WeakPolarHBondContact O-CB 3.37Å; Q96-C98 PolarHBondContact O-N 2.96Å
99	T	96.7	Very high	95.9	Very high	36 Å²	36	41.8 Å²	41.8	22%	0.221	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.8	-177.5	69.3	0	0	0	0	111.6	L43 H44 N49 Q96	L43-T99 WeakPolarHBondContact O-CA 3.39Å; H44-T99 VanDerWaalsContact ND1-CG2 3.31Å; H44-T99 WeakPolarHBondContact ND1-CG2 3.37Å; N49-T99 PolarHBondContact ND2-N 3.47Å; N49-T99 PolarHBondContact ND2-O 2.93Å; Q96-T99 PolarHBondContact N-O 2.81Å; Q96-T99 VanDerWaalsContact N-O 3.12Å; Q96-T99 WeakPolarHBondContact O-CA 3.45Å; Q96-T99 WeakPolarHBondContact O-CB 3.2Å; Q96-T99 PolarHBondContact O-N 2.95Å; Q96-T99 VanDerWaalsContact O-O 3.11Å; Q96-T99 PolarHBondContact O-OG1 2.81Å
100	L	96.6	Very high	96.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	114	177.9	-175.5	69.5	0	0	0	109.1	L43 F45 Y50 L57 L79 V92 Q95 L102	L43-L100 HydrophobicContact CB-CB 4.41Å; L43-L100 PolarHBondContact N-O 2.65Å; L43-L100 PolarHBondContact O-N 2.91Å; F45-L100 HydrophobicContact CE2-CB 3.86Å; F45-L100 HydrophobicContact CE2-CD2 4.26Å; Y50-L100 HydrophobicContact CD1-CD1 4.18Å; Y50-L100 HydrophobicContact CD1-CD2 4.15Å; Y50-L100 HydrophobicContact CG-CD2 4.04Å; L57-L100 HydrophobicContact CD1-CD2 4.16Å; L79-L100 HydrophobicContact CD2-CD2 4.24Å; V92-L100 HydrophobicContact CG1-CD1 3.75Å; V92-L100 HydrophobicContact CG2-CD1 4.19Å; Q95-L100 HydrophobicContact CB-CD1 4.06Å; Q95-L100 HydrophobicContact CG-CD1 3.95Å; L100-L102 HydrophobicContact CD1-CD2 4.36Å; L100-L102 HydrophobicContact CD2-CD1 4.32Å; L100-L102 HydrophobicContact CD2-CD2 3.75Å; L100-L102 HydrophobicContact CD2-CG 4.24Å; L100-L102 HydrophobicContact CG-CD2 3.69Å; L100-L102 HydrophobicContact CG-CG 4.1Å
101	S	96.9	Very high	96.2	Very high	24 Å²	24	41.5 Å²	41.5	17%	0.168	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.9	179	-61.1	0	0	0	0	109.5	V93 D94	V93-S101 PolarHBondContact N-O 2.95Å; D94-S101 PolarHBondContact N-O 3.16Å; D94-S101 PolarHBondContact O-N 2.83Å
102	L	97.2	Very high	96.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	154.2	-173.4	-57.3	175.9	0	0	0	110.9	W40 L41 L43 F59 L79 T91 V92 L100 L104	W40-L102 WeakPolarHBondContact CA-O 3.27Å; L41-L102 HydrophobicContact CB-CB 4.26Å; L41-L102 HydrophobicContact CD2-CD1 4.23Å; L41-L102 PolarHBondContact N-O 3.37Å; L41-L102 WeakPolarHBondContact O-CB 3.33Å; L41-L102 PolarHBondContact O-N 2.95Å; L43-L102 HydrophobicContact CD1-CD1 3.73Å; L43-L102 HydrophobicContact CG-CD1 4.03Å; F59-L102 HydrophobicContact CE1-CD1 4.39Å; F59-L102 HydrophobicContact CE2-CD1 4.25Å; F59-L102 HydrophobicContact CZ-CD1 3.53Å; L79-L102 HydrophobicContact CD1-CD2 3.6Å; L79-L102 HydrophobicContact CD2-CD2 4.39Å; T91-L102 WeakPolarHBondContact O-CA 3.09Å; V92-L102 HydrophobicContact CB-CD2 4.43Å; V92-L102 HydrophobicContact CG2-CD2 3.99Å; L100-L102 HydrophobicContact CD1-CD2 4.36Å; L100-L102 HydrophobicContact CD2-CD1 4.32Å; L100-L102 HydrophobicContact CD2-CD2 3.75Å; L100-L102 HydrophobicContact CD2-CG 4.24Å; L100-L102 HydrophobicContact CG-CD2 3.69Å; L100-L102 HydrophobicContact CG-CG 4.1Å; L102-L104 HydrophobicContact CB-CD1 4.14Å
103	Q	96.7	Very high	96.5	Very high	50 Å²	50	39.3 Å²	39.3	23%	0.234	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.9	160.4	-88	-178.7	9.9	0	0	109.8	P38 F39 W40 A90 T91 V93	P38-Q103 HydrophobicContact CB-CB 4.46Å; P38-Q103 HydrophobicContact CB-CG 4.49Å; F39-Q103 WeakPolarHBondContact O-CA 3.45Å; W40-Q103 HydrophobicContact CD2-CG 4.14Å; W40-Q103 HydrophobicContact CE3-CG 3.86Å; W40-Q103 HydrophobicContact CH2-CG 4.35Å; W40-Q103 HydrophobicContact CZ3-CG 3.98Å; A90-Q103 WeakPolarHBondContact CA-O 3.27Å; T91-Q103 PolarHBondContact N-O 3.33Å; T91-Q103 PolarHBondContact O-N 3.19Å; V93-Q103 HydrophobicContact CG2-CB 3.86Å; V93-Q103 HydrophobicContact CG2-CG 3.69Å
104	L	97.4	Very high	96.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.8	171.3	-87.3	65.7	0	0	0	108.8	P38 F39 L41 F77 T89 A90 L102 L117	P38-L104 CarbonylContact C-O 3.59Å; P38-L104 VanDerWaalsContact CA-O 3.26Å; P38-L104 WeakPolarHBondContact CA-O 3.39Å; F39-L104 HydrophobicContact CD1-CB 4.2Å; F39-L104 VanDerWaalsContact CD1-O 3.25Å; F39-L104 WeakPolarHBondContact CD1-O 2.92Å; F39-L104 HydrophobicContact CD2-CB 4.36Å; F39-L104 HydrophobicContact CE1-CB 3.67Å; F39-L104 HydrophobicContact CE2-CB 3.85Å; F39-L104 HydrophobicContact CE2-CD2 4.07Å; F39-L104 HydrophobicContact CZ-CB 3.47Å; F39-L104 VanDerWaalsContact CZ-CB 3.47Å; F39-L104 HydrophobicContact CZ-CD2 3.75Å; F39-L104 HydrophobicContact CZ-CG 4.26Å; F39-L104 PolarHBondContact N-O 2.78Å; F39-L104 PolarHBondContact O-N 3.24Å; L41-L104 HydrophobicContact CB-CD1 4Å; L41-L104 HydrophobicContact CD2-CD1 3.65Å; L41-L104 HydrophobicContact CD2-CD2 4.12Å; L41-L104 HydrophobicContact CG-CD1 4.49Å; F77-L104 HydrophobicContact CE2-CD2 4.47Å; F77-L104 HydrophobicContact CE2-CG 4.36Å; F77-L104 HydrophobicContact CZ-CD2 4.46Å; T89-L104 CarbonylContact O-C 3.49Å; T89-L104 VanDerWaalsContact O-CA 3.31Å; T89-L104 WeakPolarHBondContact O-CA 3.39Å; A90-L104 HydrophobicContact CB-CD1 4.09Å; A90-L104 HydrophobicContact CB-CG 4.23Å; L102-L104 HydrophobicContact CB-CD1 4.14Å; L104-L117 HydrophobicContact CD2-CD1 4.05Å; L104-L117 HydrophobicContact CD2-CD2 4.07Å
105	T	96.8	Very high	97	Very high	27 Å²	27	36.1 Å²	36.1	17%	0.166	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.2	175.5	-47.1	0	0	0	0	109.8	W88 T89	W88-T105 WeakPolarHBondContact CA-O 3.48Å; T89-T105 PolarHBondContact N-O 3.29Å; T89-T105 PolarHBondContact O-N 3.03Å; T89-T105 VanDerWaalsContact OG1-CB 3.27Å; T89-T105 WeakPolarHBondContact OG1-CB 3.28Å; T89-T105 PolarHBondContact OG1-OG1 3.28Å
106	T	97.9	Very high	97.2	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.018	20%	0.195	C	C	.	.			trans	-107.9	149.3	175.9	64.5	0	0	0	0	109.9	R35 G36 F39 W88 L137	R35-T106 VanDerWaalsContact CA-OG1 3.24Å; R35-T106 WeakPolarHBondContact CA-OG1 3.25Å; G36-T106 WeakPolarHBondContact CA-O 3.45Å; G36-T106 PolarHBondContact N-O 3.29Å; G36-T106 VanDerWaalsContact N-O 3.16Å; G36-T106 PolarHBondContact N-OG1 3.23Å; F39-T106 HydrophobicContact CE1-CG2 3.92Å; W88-T106 HydrophobicContact CE3-CG2 3.93Å; W88-T106 HydrophobicContact CH2-CG2 3.55Å; W88-T106 HydrophobicContact CZ2-CG2 4.23Å; W88-T106 HydrophobicContact CZ3-CG2 3.4Å; T106-L137 HydrophobicContact CG2-CD1 4.02Å; T106-L137 HydrophobicContact CG2-CD2 4.3Å
107	P	97.6	Very high	97.4	Very high	10 Å²	10	31.3 Å²	31.3	7%	0.065	17%	0.169	C	C	.	.			trans	-71.4	146.2	176	28.9	-32.5	0	0	0	111	G86 W88 N109 A110	G86-P107 WeakPolarHBondContact O-CB 3.34Å; W88-P107 HydrophobicContact CG-CG 4.45Å; P107-N109 WeakPolarHBondContact CB-OD1 3.38Å; P107-N109 PolarHBondContact O-N 3Å; P107-N109 VanDerWaalsContact O-N 3.12Å; P107-A110 HydrophobicContact CG-CB 4Å; P107-A110 VanDerWaalsContact O-CB 3.28Å; P107-A110 WeakPolarHBondContact O-CB 3.48Å; P107-A110 PolarHBondContact O-N 3.32Å
108	A	97.9	Very high	97.7	Very high	19 Å²	19	25.1 Å²	25.1	16%	0.157	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-12.9	-177.4	0	0	0	0	0	113.9	R35 A145	R35-A108 VanDerWaalsContact CD-O 3.31Å; R35-A108 WeakPolarHBondContact CD-O 3.42Å; R35-A108 PolarHBondContact NE-O 3.35Å; R35-A108 PolarHBondContact NH2-O 3.43Å; A108-A145 HydrophobicContact CB-CB 3.77Å
109	N	97.7	Very high	97.9	Very high	112 Å²	112	23 Å²	23	60%	0.599	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.5	11.7	174.7	66.8	-5.2	0	0	0	113	P107 S215	P107-N109 WeakPolarHBondContact CB-OD1 3.38Å; P107-N109 PolarHBondContact O-N 3Å; P107-N109 VanDerWaalsContact O-N 3.12Å; N109-S215 WeakPolarHBondContact O-CB 3.37Å
110	A	98.6	Very high	97.8	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.017	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-55.7	140.2	176.3	0	0	0	0	0	111.1	R35 W88 P107 L137	R35-A110 HydrophobicContact CB-CB 4.25Å; R35-A110 WeakPolarHBondContact CD-O 3.29Å; R35-A110 PolarHBondContact NH1-O 2.96Å; W88-A110 HydrophobicContact CZ2-CB 4.43Å; P107-A110 HydrophobicContact CG-CB 4Å; P107-A110 VanDerWaalsContact O-CB 3.28Å; P107-A110 WeakPolarHBondContact O-CB 3.48Å; P107-A110 PolarHBondContact O-N 3.32Å; A110-L137 HydrophobicContact CB-CD2 3.58Å
111	P	98.8	Very high	97.7	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.032	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-56.2	138.5	167.8	-23.7	33.5	0	0	0	112	G72 T73 Y115 C211	G72-P111 WeakPolarHBondContact O-CD 3.44Å; T73-P111 HydrophobicContact CG2-CG 4.34Å; P111-Y115 VanDerWaalsContact O-CE2 3.28Å; P111-Y115 WeakPolarHBondContact O-CE2 3.39Å; P111-Y115 PolarHBondContact O-OH 3.31Å; P111-C211 WeakPolarHBondContact CB-O 3.42Å
112	I	98.9	Very high	97.4	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-80.4	154.5	173.1	62.9	147.5	0	0	0	111.4	L137 F139 L197 R214 V220 L291	I112-L137 CarbonylContact C-O 3.47Å; I112-L137 VanDerWaalsContact CA-O 3.27Å; I112-L137 WeakPolarHBondContact CA-O 3.2Å; I112-L137 VanDerWaalsContact CB-O 3.27Å; I112-L137 WeakPolarHBondContact CB-O 3.49Å; I112-F139 HydrophobicContact CB-CE2 4.35Å; I112-F139 HydrophobicContact CD1-CD2 3.93Å; I112-F139 HydrophobicContact CD1-CE2 3.48Å; I112-F139 VanDerWaalsContact CD1-CE2 3.48Å; I112-F139 HydrophobicContact CD1-CZ 4.39Å; I112-F139 HydrophobicContact CG1-CD2 4.34Å; I112-F139 HydrophobicContact CG1-CE2 3.74Å; I112-F139 HydrophobicContact CG1-CZ 4.21Å; I112-F139 HydrophobicContact CG2-CD1 4.23Å; I112-F139 HydrophobicContact CG2-CD2 3.67Å; I112-F139 HydrophobicContact CG2-CE1 4.26Å; I112-F139 HydrophobicContact CG2-CE2 3.72Å; I112-F139 HydrophobicContact CG2-CG 3.92Å; I112-F139 HydrophobicContact CG2-CZ 4.01Å; I112-L197 HydrophobicContact CD1-CD1 4.24Å; I112-R214 HydrophobicContact CG1-CB 4.07Å; I112-R214 WeakPolarHBondContact CG1-O 3.22Å; I112-R214 PolarHBondContact N-O 3.47Å; I112-V220 HydrophobicContact CD1-CG1 4.41Å; I112-V220 HydrophobicContact CD1-CG2 4.3Å; I112-V220 HydrophobicContact CG1-CG2 4.41Å; I112-L291 HydrophobicContact CD1-CB 4.16Å; I112-L291 HydrophobicContact CD1-CD1 4.23Å; I112-L291 HydrophobicContact CD1-CD2 3.98Å; I112-L291 HydrophobicContact CD1-CG 4.34Å
113	G	98.6	Very high	97	Very high	1 Å²	1	26 Å²	26	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.8	-170.1	175	0	0	0	0	0	113.6	Y115 I136 L137	G113-Y115 WeakPolarHBondContact O-CD2 3.17Å; G113-I136 WeakPolarHBondContact O-CA 3.42Å; G113-L137 PolarHBondContact N-O 3.05Å; G113-L137 PolarHBondContact O-N 3.24Å
114	L	98.8	Very high	96.3	Very high	83 Å²	83	26.8 Å²	26.8	44%	0.435	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	130	174.1	-177.1	66.5	0	0	0	110.1	T63 H134 I136	T63-L114 WeakPolarHBondContact CB-O 3.42Å; T63-L114 PolarHBondContact OG1-O 3.47Å; L114-H134 HydrophobicContact CD1-CB 4.05Å; L114-I136 HydrophobicContact CD1-CG1 3.75Å
115	Y	98.8	Very high	95.3	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	143.6	175.4	-81.2	-99	0	0	0	111	V61 V62 T63 W88 P111 G113 H134 F135 L137	V61-Y115 HydrophobicContact CB-CD1 4.03Å; V61-Y115 HydrophobicContact CG2-CD1 4.35Å; V61-Y115 HydrophobicContact CG2-CE1 4.46Å; V62-Y115 WeakPolarHBondContact O-CA 3.38Å; T63-Y115 HydrophobicContact CG2-CD1 4.24Å; T63-Y115 HydrophobicContact CG2-CE1 3.54Å; T63-Y115 HydrophobicContact CG2-CE2 3.86Å; T63-Y115 WeakPolarHBondContact CG2-OH 3.26Å; W88-Y115 HydrophobicContact CH2-CD1 4.34Å; W88-Y115 HydrophobicContact CH2-CE1 4.22Å; W88-Y115 HydrophobicContact CZ2-CD1 4.49Å; W88-Y115 AromaticContact CZ2-CE1 3.93Å; W88-Y115 HydrophobicContact CZ2-CE1 3.93Å; P111-Y115 VanDerWaalsContact O-CE2 3.28Å; P111-Y115 WeakPolarHBondContact O-CE2 3.39Å; P111-Y115 PolarHBondContact O-OH 3.31Å; G113-Y115 WeakPolarHBondContact O-CD2 3.17Å; Y115-H134 WeakPolarHBondContact O-CA 3.34Å; Y115-H134 WeakPolarHBondContact O-CB 3.49Å; Y115-F135 HydrophobicContact CD1-CZ 4.39Å; Y115-F135 HydrophobicContact CD2-CE2 4.22Å; Y115-F135 HydrophobicContact CG-CE2 4.05Å; Y115-F135 AromaticContact CG-CZ 3.93Å; Y115-F135 HydrophobicContact CG-CZ 3.93Å; Y115-F135 PolarHBondContact N-O 3.45Å; Y115-F135 PolarHBondContact O-N 2.94Å; Y115-F135 VanDerWaalsContact O-N 3.07Å; Y115-L137 HydrophobicContact CD2-CB 3.87Å; Y115-L137 HydrophobicContact CE2-CB 3.86Å; Y115-L137 HydrophobicContact CE2-CD2 4.02Å
116	R	98.8	Very high	94.4	Very high	100 Å²	100	43 Å²	43	38%	0.377	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.5	165.4	-176.4	172.7	65.2	92.3	-1.6	109.4	V61 V62 S118 V131	V61-R116 WeakPolarHBondContact CA-O 3.36Å; V62-R116 HydrophobicContact CG2-CB 3.96Å; V62-R116 PolarHBondContact N-O 2.86Å; V62-R116 VanDerWaalsContact N-O 3.16Å; V62-R116 PolarHBondContact O-N 2.84Å; R116-S118 PolarHBondContact NH1-OG 3.45Å; R116-S118 VanDerWaalsContact NH1-OG 3.1Å; R116-V131 HydrophobicContact CG-CG1 3.95Å
117	L	98.6	Very high	93.7	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126	177.1	-179	62.5	0	0	0	110.1	L41 F59 V61 L104 L132 G133 F135	L41-L117 HydrophobicContact CD1-CD2 4.31Å; L41-L117 HydrophobicContact CD2-CD2 4.16Å; F59-L117 HydrophobicContact CD1-CD1 4.12Å; V61-L117 HydrophobicContact CG1-CD1 3.48Å; V61-L117 VanDerWaalsContact CG1-CD1 3.48Å; L104-L117 HydrophobicContact CD2-CD1 4.05Å; L104-L117 HydrophobicContact CD2-CD2 4.07Å; L117-L132 HydrophobicContact CD2-CB 4.1Å; L117-L132 HydrophobicContact CD2-CD1 3.92Å; L117-L132 HydrophobicContact CG-CB 4.11Å; L117-L132 HydrophobicContact CG-CD1 4.05Å; L117-L132 HydrophobicContact CG-CG 4.44Å; L117-L132 PolarHBondContact O-N 2.97Å; L117-G133 PolarHBondContact N-O 2.9Å; L117-F135 HydrophobicContact CB-CD1 4.27Å; L117-F135 HydrophobicContact CB-CE1 4.06Å
118	S	98.3	Very high	93.3	Very high	5 Å²	5	47.5 Å²	47.5	4%	0.035	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.6	175.2	-37.4	0	0	0	0	110.6	F59 S60 R116 F130	F59-S118 CarbonylContact C-O 3.53Å; F59-S118 WeakPolarHBondContact CA-O 3.45Å; S60-S118 PolarHBondContact N-O 2.85Å; S60-S118 PolarHBondContact O-N 2.88Å; R116-S118 PolarHBondContact NH1-OG 3.45Å; R116-S118 VanDerWaalsContact NH1-OG 3.1Å; S118-F130 CarbonylContact C-O 3.59Å; S118-F130 WeakPolarHBondContact CA-O 3.28Å; S118-F130 WeakPolarHBondContact CB-O 3.47Å
119	L	97.6	Very high	93.1	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.6	172.5	176.4	63	0	0	0	108.9	L43 L57 F59 S129 F130 L132	L43-L119 HydrophobicContact CD1-CD2 4.03Å; L57-L119 HydrophobicContact CB-CD1 4.01Å; L57-L119 HydrophobicContact CD2-CD1 4.24Å; L57-L119 HydrophobicContact CD2-CD2 4.5Å; F59-L119 HydrophobicContact CD1-CD1 4.12Å; F59-L119 HydrophobicContact CE1-CD1 3.86Å; F59-L119 HydrophobicContact CE2-CD1 4.28Å; F59-L119 HydrophobicContact CG-CD1 4.46Å; F59-L119 HydrophobicContact CZ-CD1 3.92Å; L119-S129 CarbonylContact O-C 3.59Å; L119-S129 VanDerWaalsContact O-CA 3.25Å; L119-S129 WeakPolarHBondContact O-CA 3.5Å; L119-S129 PolarHBondContact O-OG 3Å; L119-F130 PolarHBondContact N-O 2.77Å; L119-F130 PolarHBondContact O-N 2.82Å; L119-L132 HydrophobicContact CB-CD1 3.92Å; L119-L132 HydrophobicContact CB-CD2 3.88Å; L119-L132 HydrophobicContact CB-CG 3.88Å; L119-L132 HydrophobicContact CD2-CD2 4.28Å
120	E	96.1	Very high	92.9	Very high	63 Å²	63	48 Å²	48	29%	0.294	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	115.8	165.5	-66.2	179.5	-150.3	0	0	107.7	T58 R76 S128	T58-E120 PolarHBondContact N-O 2.9Å; T58-E120 PolarHBondContact O-N 2.87Å; R76-E120 IonicContact CZ-OE1 2.7Å; R76-E120 IonicContact CZ-OE2 2.85Å; R76-E120 IonicContact NH1-OE1 3.79Å; R76-E120 PolarHBondContact NH1-OE1 2.82Å; R76-E120 IonicContact NH1-OE2 3.81Å; R76-E120 PolarHBondContact NH1-OE2 2.93Å; R76-E120 IonicContact NH2-OE1 3.85Å; R76-E120 IonicContact NH2-OE2 3.92Å; R76-E120 PolarHBondContact NH2-OE2 3.26Å; E120-S128 WeakPolarHBondContact CA-O 3.39Å
121	A	93.8	Very high	92.9	Very high	5 Å²	5	51.9 Å²	51.9	4%	0.041	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.4	-179.6	0	0	0	0	0	109	L57 G127 S128 F130	L57-A121 HydrophobicContact CD2-CB 3.41Å; L57-A121 VanDerWaalsContact CD2-CB 3.41Å; A121-G127 CarbonylContact O-C 3.47Å; A121-G127 WeakPolarHBondContact O-CA 3.38Å; A121-S128 PolarHBondContact N-O 2.88Å; A121-S128 PolarHBondContact O-N 3.25Å; A121-S128 PolarHBondContact O-OG 3.32Å; A121-F130 HydrophobicContact CB-CE2 4.45Å
122	S	91.6	Very high	92.8	Very high	47 Å²	47	52.5 Å²	52.5	33%	0.329	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.2	174.4	63.1	0	0	0	0	111.2	D55 S56 Q126	D55-S122 WeakPolarHBondContact CA-O 3.49Å; S56-S122 WeakPolarHBondContact CB-OG 3.42Å; S56-S122 PolarHBondContact N-O 3.26Å; S56-S122 PolarHBondContact O-N 2.91Å; S56-S122 PolarHBondContact O-OG 2.91Å; S122-Q126 CarbonylContact C-O 3.56Å; S122-Q126 VanDerWaalsContact CA-O 3.26Å; S122-Q126 WeakPolarHBondContact CA-O 3.45Å
123	T	87.8	Confident	92.7	Very high	9 Å²	9	53.1 Å²	53.1	6%	0.055	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	101.6	174.4	-55.7	0	0	0	0	107.7	A2 L5 D55 Y125 Q126	A2-T123 HydrophobicContact CB-CG2 3.69Å; L5-T123 PolarHBondContact N-OG1 2.7Å; D55-T123 WeakPolarHBondContact OD1-CB 3.43Å; D55-T123 WeakPolarHBondContact OD1-CG2 3.36Å; D55-T123 PolarHBondContact OD1-OG1 2.91Å; T123-Y125 PolarHBondContact O-N 3.24Å; T123-Y125 VanDerWaalsContact O-N 3.16Å; T123-Q126 PolarHBondContact N-O 3.26Å; T123-Q126 PolarHBondContact O-N 2.8Å
124	G	82.6	Confident	92.7	Very high	65 Å²	65	57.6 Å²	57.6	67%	0.67	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	-113	-172.2	0	0	0	0	0	113.4	V54	V54-G124 PolarHBondContact O-N 3.37Å
125	Y	76.8	Confident	92.7	Very high	249 Å²	249	53.7 Å²	53.7	98%	0.976	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-8.5	-179.4	-71.4	-77.4	0	0	0	113.9	T123	T123-Y125 PolarHBondContact O-N 3.24Å; T123-Y125 VanDerWaalsContact O-N 3.16Å
126	Q	77.3	Confident	92.7	Very high	119 Å²	119	53.7 Å²	53.7	56%	0.556	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	136.2	179.6	-72.8	174.8	-47.5	0	0	109.2	D4 S122 T123	D4-Q126 VanDerWaalsContact OD1-CB 3.28Å; D4-Q126 WeakPolarHBondContact OD1-CB 3.44Å; D4-Q126 PolarHBondContact OD1-OE1 3.43Å; S122-Q126 CarbonylContact C-O 3.56Å; S122-Q126 VanDerWaalsContact CA-O 3.26Å; S122-Q126 WeakPolarHBondContact CA-O 3.45Å; T123-Q126 PolarHBondContact N-O 3.26Å; T123-Q126 PolarHBondContact O-N 2.8Å
127	G	83.3	Confident	92.7	Very high	68 Å²	68	48.9 Å²	48.9	70%	0.701	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.5	-177.3	0	0	0	0	0	111	A121	A121-G127 CarbonylContact O-C 3.47Å; A121-G127 WeakPolarHBondContact O-CA 3.38Å
128	S	89.5	Confident	92.7	Very high	40 Å²	40	48.9 Å²	48.9	28%	0.28	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	155	175.8	58.6	0	0	0	0	110.2	E120 A121 F130	E120-S128 WeakPolarHBondContact CA-O 3.39Å; A121-S128 PolarHBondContact N-O 2.88Å; A121-S128 PolarHBondContact O-N 3.25Å; A121-S128 PolarHBondContact O-OG 3.32Å; S128-F130 WeakPolarHBondContact OG-CE2 3.46Å; S128-F130 WeakPolarHBondContact OG-CZ 3.4Å
129	S	93.1	Very high	92.8	Very high	79 Å²	79	48.6 Å²	48.6	55%	0.552	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134	133	176.4	-174.2	0	0	0	0	110.6	L119	L119-S129 CarbonylContact O-C 3.59Å; L119-S129 VanDerWaalsContact O-CA 3.25Å; L119-S129 WeakPolarHBondContact O-CA 3.5Å; L119-S129 PolarHBondContact O-OG 3Å
130	F	94.2	Very high	92.8	Very high	63 Å²	63	48.6 Å²	48.6	28%	0.276	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	142.8	-176.2	-51.7	-78.4	0	0	0	110.1	L7 S118 L119 A121 S128 L132	L7-F130 HydrophobicContact CB-CD2 4.29Å; L7-F130 HydrophobicContact CB-CE2 4.25Å; L7-F130 HydrophobicContact CB-CG 4.45Å; L7-F130 HydrophobicContact CB-CZ 4.4Å; L7-F130 HydrophobicContact CD2-CB 4Å; L7-F130 HydrophobicContact CD2-CD2 4.32Å; L7-F130 HydrophobicContact CD2-CG 4.08Å; S118-F130 CarbonylContact C-O 3.59Å; S118-F130 WeakPolarHBondContact CA-O 3.28Å; S118-F130 WeakPolarHBondContact CB-O 3.47Å; L119-F130 PolarHBondContact N-O 2.77Å; L119-F130 PolarHBondContact O-N 2.82Å; A121-F130 HydrophobicContact CB-CE2 4.45Å; S128-F130 WeakPolarHBondContact OG-CE2 3.46Å; S128-F130 WeakPolarHBondContact OG-CZ 3.4Å; F130-L132 HydrophobicContact CB-CD2 4.42Å
131	V	97	Very high	93	Very high	82 Å²	82	45.6 Å²	45.6	50%	0.497	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	114	163.9	178.8	0	0	0	0	107	R116	R116-V131 HydrophobicContact CG-CG1 3.95Å
132	L	97.4	Very high	93.2	Very high	18 Å²	18	46.7 Å²	46.7	9%	0.094	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-34.6	-178.1	-62.3	-172.2	0	0	0	111.6	L7 C10 L41 L43 F59 L117 L119 F130	L7-L132 HydrophobicContact CD2-CD2 3.3Å; C10-L132 HydrophobicContact CB-CB 4.33Å; C10-L132 HydrophobicContact CB-CD2 4.16Å; L41-L132 HydrophobicContact CD2-CD1 4.07Å; L43-L132 HydrophobicContact CD2-CD1 4.03Å; L43-L132 HydrophobicContact CD2-CD2 4.14Å; F59-L132 HydrophobicContact CD1-CD1 4.12Å; F59-L132 HydrophobicContact CE1-CD1 3.73Å; L117-L132 HydrophobicContact CD2-CB 4.1Å; L117-L132 HydrophobicContact CD2-CD1 3.92Å; L117-L132 HydrophobicContact CG-CB 4.11Å; L117-L132 HydrophobicContact CG-CD1 4.05Å; L117-L132 HydrophobicContact CG-CG 4.44Å; L117-L132 PolarHBondContact O-N 2.97Å; L119-L132 HydrophobicContact CB-CD1 3.92Å; L119-L132 HydrophobicContact CB-CD2 3.88Å; L119-L132 HydrophobicContact CB-CG 3.88Å; L119-L132 HydrophobicContact CD2-CD2 4.28Å; F130-L132 HydrophobicContact CB-CD2 4.42Å
133	G	97.4	Very high	93.5	Very high	16 Å²	16	45 Å²	45	17%	0.165	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.4	-163.8	-179.7	0	0	0	0	0	112.7	L117	L117-G133 PolarHBondContact N-O 2.9Å
134	H	98.3	Very high	94	Very high	94 Å²	94	49.3 Å²	49.3	44%	0.435	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.1	174.9	-61.5	82.2	0	0	0	109.7	L114 Y115	L114-H134 HydrophobicContact CD1-CB 4.05Å; Y115-H134 WeakPolarHBondContact O-CA 3.34Å; Y115-H134 WeakPolarHBondContact O-CB 3.49Å
135	F	98.8	Very high	94.8	Very high	1 Å²	1	50 Å²	50	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	153.3	172.7	65.7	-88.4	0	0	0	109.7	L31 V33 V61 W88 Y115 L117 L137	L31-F135 HydrophobicContact CB-CB 4Å; L31-F135 HydrophobicContact CD2-CB 3.94Å; L31-F135 HydrophobicContact CG-CB 4.02Å; L31-F135 CarbonylContact O-C 3.59Å; L31-F135 VanDerWaalsContact O-CA 3.25Å; L31-F135 WeakPolarHBondContact O-CA 3.46Å; V33-F135 HydrophobicContact CG2-CD2 3.73Å; V33-F135 HydrophobicContact CG2-CE2 4.32Å; V61-F135 HydrophobicContact CG1-CE1 4.22Å; V61-F135 HydrophobicContact CG1-CZ 4.28Å; W88-F135 HydrophobicContact CH2-CE2 4.22Å; W88-F135 AromaticContact CH2-CZ 3.79Å; W88-F135 HydrophobicContact CH2-CZ 3.79Å; W88-F135 AromaticContact CZ3-CZ 3.93Å; W88-F135 HydrophobicContact CZ3-CZ 3.93Å; Y115-F135 HydrophobicContact CD1-CZ 4.39Å; Y115-F135 HydrophobicContact CD2-CE2 4.22Å; Y115-F135 HydrophobicContact CG-CE2 4.05Å; Y115-F135 AromaticContact CG-CZ 3.93Å; Y115-F135 HydrophobicContact CG-CZ 3.93Å; Y115-F135 PolarHBondContact N-O 3.45Å; Y115-F135 PolarHBondContact O-N 2.94Å; Y115-F135 VanDerWaalsContact O-N 3.07Å; L117-F135 HydrophobicContact CB-CD1 4.27Å; L117-F135 HydrophobicContact CB-CE1 4.06Å; F135-L137 HydrophobicContact CD2-CB 4.48Å; F135-L137 HydrophobicContact CE2-CB 4.19Å; F135-L137 HydrophobicContact CE2-CD1 4.33Å
136	I	98.9	Very high	95.8	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.1	173.9	-61.1	169.2	0	0	0	108	K30 L31 V32 V33 G113 L114 L138 L190 L194	K30-I136 HydrophobicContact CD-CD1 4.46Å; L31-I136 PolarHBondContact O-N 2.85Å; V32-I136 WeakPolarHBondContact CA-O 3.36Å; V32-I136 HydrophobicContact CG1-CB 4.25Å; V32-I136 HydrophobicContact CG1-CG2 4.42Å; V32-I136 HydrophobicContact CG2-CB 4.25Å; V32-I136 HydrophobicContact CG2-CD1 4.34Å; V33-I136 PolarHBondContact N-O 2.9Å; G113-I136 WeakPolarHBondContact O-CA 3.42Å; L114-I136 HydrophobicContact CD1-CG1 3.75Å; I136-L138 HydrophobicContact CG2-CD2 3.76Å; I136-L138 HydrophobicContact CG2-CG 4.31Å; I136-L190 HydrophobicContact CB-CD2 4.48Å; I136-L190 HydrophobicContact CD1-CD2 3.63Å; I136-L190 HydrophobicContact CD1-CG 4.08Å; I136-L190 HydrophobicContact CG2-CD1 4.47Å; I136-L190 HydrophobicContact CG2-CD2 4.18Å; I136-L194 HydrophobicContact CD1-CD1 3.88Å; I136-L194 HydrophobicContact CG1-CD1 4.17Å; I136-L194 HydrophobicContact CG2-CD1 4.11Å
137	L	98.9	Very high	96.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.2	176.1	-163.4	65	0	0	0	109.9	V33 R35 W88 T106 A110 I112 G113 Y115 F135	V33-L137 HydrophobicContact CG2-CD1 3.78Å; V33-L137 WeakPolarHBondContact O-CA 3.48Å; R35-L137 HydrophobicContact CB-CD1 4.14Å; R35-L137 HydrophobicContact CB-CD2 4.02Å; R35-L137 HydrophobicContact CB-CG 3.98Å; W88-L137 HydrophobicContact CH2-CD2 4.25Å; W88-L137 HydrophobicContact CZ2-CD2 4.3Å; T106-L137 HydrophobicContact CG2-CD1 4.02Å; T106-L137 HydrophobicContact CG2-CD2 4.3Å; A110-L137 HydrophobicContact CB-CD2 3.58Å; I112-L137 CarbonylContact C-O 3.47Å; I112-L137 VanDerWaalsContact CA-O 3.27Å; I112-L137 WeakPolarHBondContact CA-O 3.2Å; I112-L137 VanDerWaalsContact CB-O 3.27Å; I112-L137 WeakPolarHBondContact CB-O 3.49Å; G113-L137 PolarHBondContact N-O 3.05Å; G113-L137 PolarHBondContact O-N 3.24Å; Y115-L137 HydrophobicContact CD2-CB 3.87Å; Y115-L137 HydrophobicContact CE2-CB 3.86Å; Y115-L137 HydrophobicContact CE2-CD2 4.02Å; F135-L137 HydrophobicContact CD2-CB 4.48Å; F135-L137 HydrophobicContact CE2-CB 4.19Å; F135-L137 HydrophobicContact CE2-CD1 4.33Å
138	L	98.9	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	168.6	-179.3	-59	-175.2	0	0	0	112.1	T23 L26 V32 V33 R34 R35 I136 L190 C290	T23-L138 HydrophobicContact CG2-CD1 4.42Å; L26-L138 HydrophobicContact CD1-CD1 3.98Å; V32-L138 HydrophobicContact CG1-CD1 3.58Å; V32-L138 HydrophobicContact CG1-CG 3.9Å; V33-L138 PolarHBondContact O-N 3.27Å; R34-L138 WeakPolarHBondContact CA-O 3.26Å; R34-L138 HydrophobicContact CG-CB 4.47Å; R35-L138 PolarHBondContact N-O 3.44Å; I136-L138 HydrophobicContact CG2-CD2 3.76Å; I136-L138 HydrophobicContact CG2-CG 4.31Å; L138-L190 HydrophobicContact CD2-CD1 3.95Å; L138-C290 WeakPolarHBondContact CD1-O 3.19Å
139	F	98.9	Very high	98	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.194	C	C	.	.			trans	-64	151.1	168.5	-71.9	-79	0	0	0	111.2	R34 R35 I112 V148 P217 V220 L291 I293	R34-F139 PolarHBondContact NH1-O 3.36Å; R34-F139 VanDerWaalsContact NH1-O 3.17Å; R35-F139 VanDerWaalsContact CZ-CE1 3.46Å; R35-F139 VanDerWaalsContact NH2-CD1 3.26Å; R35-F139 VanDerWaalsContact NH2-CE1 3.32Å; I112-F139 HydrophobicContact CB-CE2 4.35Å; I112-F139 HydrophobicContact CD1-CD2 3.93Å; I112-F139 HydrophobicContact CD1-CE2 3.48Å; I112-F139 VanDerWaalsContact CD1-CE2 3.48Å; I112-F139 HydrophobicContact CD1-CZ 4.39Å; I112-F139 HydrophobicContact CG1-CD2 4.34Å; I112-F139 HydrophobicContact CG1-CE2 3.74Å; I112-F139 HydrophobicContact CG1-CZ 4.21Å; I112-F139 HydrophobicContact CG2-CD1 4.23Å; I112-F139 HydrophobicContact CG2-CD2 3.67Å; I112-F139 HydrophobicContact CG2-CE1 4.26Å; I112-F139 HydrophobicContact CG2-CE2 3.72Å; I112-F139 HydrophobicContact CG2-CG 3.92Å; I112-F139 HydrophobicContact CG2-CZ 4.01Å; F139-V148 HydrophobicContact CB-CG2 3.81Å; F139-V148 HydrophobicContact CD1-CG1 4.16Å; F139-V148 HydrophobicContact CD1-CG2 4.4Å; F139-V148 HydrophobicContact CG-CG2 4.48Å; F139-P217 HydrophobicContact CD1-CB 4.44Å; F139-P217 HydrophobicContact CE1-CB 3.92Å; F139-P217 HydrophobicContact CE1-CG 4.36Å; F139-P217 HydrophobicContact CZ-CB 4.13Å; F139-V220 HydrophobicContact CE2-CB 4.18Å; F139-V220 HydrophobicContact CE2-CG1 4.23Å; F139-V220 HydrophobicContact CE2-CG2 3.97Å; F139-V220 HydrophobicContact CZ-CB 4.35Å; F139-V220 HydrophobicContact CZ-CG2 3.95Å; F139-L291 WeakPolarHBondContact CB-O 3.12Å; F139-L291 WeakPolarHBondContact CD2-O 3.26Å; F139-L291 PolarHBondContact N-O 2.89Å; F139-I293 HydrophobicContact CB-CG1 4.34Å; F139-I293 HydrophobicContact CD2-CD1 3.87Å; F139-I293 HydrophobicContact CD2-CG1 3.43Å; F139-I293 VanDerWaalsContact CD2-CG1 3.43Å; F139-I293 HydrophobicContact CE2-CD1 3.69Å; F139-I293 HydrophobicContact CE2-CG1 3.82Å; F139-I293 HydrophobicContact CG-CG1 3.89Å; F139-I293 HydrophobicContact CZ-CD1 4.3Å
140	N	98.9	Very high	98.3	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	17%	0.168	C	C	.	.			trans	-122.4	95.9	-174.8	-159.8	-13.8	0	0	0	113.5	R34 R35 Q37 W142 C143 D146	R34-N140 HydrophobicContact CB-CB 3.65Å; R34-N140 VanDerWaalsContact CB-CG 3.46Å; R34-N140 WeakPolarHBondContact CB-ND2 3.45Å; R35-N140 HydrophobicContact CG-CB 4.4Å; R35-N140 WeakPolarHBondContact O-CB 3.37Å; R35-N140 PolarHBondContact O-ND2 3.49Å; Q37-N140 PolarHBondContact OE1-ND2 3.42Å; N140-W142 PolarHBondContact O-N 2.7Å; N140-W142 WeakPolarHBondContact OD1-CB 3.35Å; N140-W142 PolarHBondContact OD1-N 2.85Å; N140-C143 HydrophobicContact CB-CB 3.79Å; N140-C143 PolarHBondContact O-N 3.3Å; N140-C143 PolarHBondContact OD1-N 3.39Å; N140-D146 HydrophobicContact CB-CB 4.45Å; N140-D146 WeakPolarHBondContact CB-OD2 3.23Å; N140-D146 PolarHBondContact N-OD2 2.9Å; N140-D146 VanDerWaalsContact O-CB 3.26Å; N140-D146 WeakPolarHBondContact O-CB 3.41Å
141	A	98.8	Very high	98.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.6	174.2	0	0	0	0	0	113.5	Y149 L150 R156 V160 P294	A141-Y149 WeakPolarHBondContact O-CA 3.38Å; A141-Y149 WeakPolarHBondContact O-CD2 3.37Å; A141-L150 PolarHBondContact O-N 2.95Å; A141-R156 HydrophobicContact CB-CG 4.01Å; A141-R156 VanDerWaalsContact O-CD 3.24Å; A141-R156 WeakPolarHBondContact O-CD 3.46Å; A141-V160 HydrophobicContact CB-CG2 4.01Å; A141-P294 HydrophobicContact CB-CG 3.73Å
142	W	98.8	Very high	98.5	Very high	27 Å²	27	29.2 Å²	29.2	10%	0.102	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-12.5	179.4	-66.2	-110.6	0	0	0	113.6	H22 N140 P144 E153 R156 V160 L161	H22-W142 HydrophobicContact CB-CH2 4.07Å; H22-W142 HydrophobicContact CB-CZ2 4.06Å; H22-W142 HydrophobicContact CB-CZ3 4.35Å; H22-W142 AromaticContact CD2-CD1 3.65Å; H22-W142 AromaticContact CD2-CD2 3.61Å; H22-W142 AromaticContact CD2-CE2 3.57Å; H22-W142 AromaticContact CD2-CG 3.78Å; H22-W142 AromaticContact CD2-NE1 3.64Å; H22-W142 AromaticContact CE1-CD1 3.9Å; H22-W142 AromaticContact CE1-NE1 3.58Å; H22-W142 AromaticContact CG-CE2 3.77Å; H22-W142 AromaticContact CG-CZ2 3.89Å; H22-W142 AromaticContact ND1-NE1 4Å; H22-W142 AromaticContact NE2-CD1 3.24Å; H22-W142 AromaticContact NE2-CE2 3.8Å; H22-W142 AromaticContact NE2-CG 3.81Å; H22-W142 AromaticContact NE2-NE1 3.35Å; H22-W142 PolarHBondContact NE2-NE1 3.12Å; N140-W142 PolarHBondContact O-N 2.7Å; N140-W142 WeakPolarHBondContact OD1-CB 3.35Å; N140-W142 PolarHBondContact OD1-N 2.85Å; W142-P144 WeakPolarHBondContact O-CD 3.4Å; W142-E153 PolarHBondContact NE1-OE1 2.85Å; W142-E153 VanDerWaalsContact NE1-OE1 3.14Å; W142-E153 PolarHBondContact NE1-OE2 3.14Å; W142-R156 HydrophobicContact CH2-CB 4.21Å; W142-R156 HydrophobicContact CZ2-CB 3.67Å; W142-V160 HydrophobicContact CH2-CB 4.05Å; W142-V160 HydrophobicContact CH2-CG1 4.1Å; W142-V160 HydrophobicContact CH2-CG2 4.49Å; W142-V160 HydrophobicContact CZ3-CB 4.4Å; W142-V160 HydrophobicContact CZ3-CG1 4.13Å; W142-L161 HydrophobicContact CH2-CD1 3.85Å; W142-L161 HydrophobicContact CH2-CD2 3.81Å; W142-L161 HydrophobicContact CH2-CG 3.71Å; W142-L161 HydrophobicContact CZ2-CD1 3.66Å; W142-L161 HydrophobicContact CZ2-CD2 4.46Å; W142-L161 HydrophobicContact CZ2-CG 4.02Å
143	C	98.5	Very high	98.6	Very high	12 Å²	12	32.1 Å²	32.1	8%	0.081	19%	0.186	C	C	.	.			trans	-89.6	116.2	180	178.8	0	0	0	0	110.3	G36 N140 A145 D146 Y149	G36-C143 PolarHBondContact O-SG 2.81Å; G36-C143 VanDerWaalsContact O-SG 3.32Å; N140-C143 HydrophobicContact CB-CB 3.79Å; N140-C143 PolarHBondContact O-N 3.3Å; N140-C143 PolarHBondContact OD1-N 3.39Å; C143-A145 PolarHBondContact O-N 3.26Å; C143-A145 VanDerWaalsContact O-N 3.09Å; C143-D146 HydrophobicContact CB-CB 3.99Å; C143-D146 WeakPolarHBondContact O-CB 3.32Å; C143-D146 PolarHBondContact O-N 3.02Å; C143-Y149 WeakPolarHBondContact O-CB 3.36Å; C143-Y149 WeakPolarHBondContact O-CD2 3.36Å
144	P	98.3	Very high	98.7	Very high	99 Å²	99	38 Å²	38	64%	0.643	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-25	-177.6	-26.8	36.4	0	0	0	115.3	W142 Y149	W142-P144 WeakPolarHBondContact O-CD 3.4Å; P144-Y149 HydrophobicContact CB-CD2 4.42Å; P144-Y149 HydrophobicContact CB-CE2 4.24Å; P144-Y149 HydrophobicContact CG-CD2 4.43Å; P144-Y149 HydrophobicContact CG-CE2 3.95Å
145	A	97.6	Very high	98.7	Very high	81 Å²	81	36.3 Å²	36.3	67%	0.669	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-11.6	178.1	0	0	0	0	0	113.3	A108 C143	A108-A145 HydrophobicContact CB-CB 3.77Å; C143-A145 PolarHBondContact O-N 3.26Å; C143-A145 VanDerWaalsContact O-N 3.09Å
146	D	98.7	Very high	98.7	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.032	21%	0.206	C	C	.	.	S	Bend	trans	-77.1	142.2	-179.9	-163.5	-39.3	0	0	0	110.7	R35 N140 C143 V148 Y149	R35-D146 VanDerWaalsContact CG-OD2 3.23Å; R35-D146 WeakPolarHBondContact CG-OD2 3.49Å; R35-D146 IonicContact CZ-OD1 2.86Å; R35-D146 IonicContact CZ-OD2 2.98Å; R35-D146 IonicContact NE-OD1 3.69Å; R35-D146 PolarHBondContact NE-OD1 3.02Å; R35-D146 IonicContact NE-OD2 2.75Å; R35-D146 PolarHBondContact NE-OD2 2.87Å; R35-D146 IonicContact NH2-OD1 2.84Å; R35-D146 PolarHBondContact NH2-OD1 3.29Å; R35-D146 IonicContact NH2-OD2 2.75Å; N140-D146 HydrophobicContact CB-CB 4.45Å; N140-D146 WeakPolarHBondContact CB-OD2 3.23Å; N140-D146 PolarHBondContact N-OD2 2.9Å; N140-D146 VanDerWaalsContact O-CB 3.26Å; N140-D146 WeakPolarHBondContact O-CB 3.41Å; C143-D146 HydrophobicContact CB-CB 3.99Å; C143-D146 WeakPolarHBondContact O-CB 3.32Å; C143-D146 PolarHBondContact O-N 3.02Å; D146-V148 PolarHBondContact O-N 2.94Å; D146-V148 VanDerWaalsContact O-N 3.09Å; D146-V148 WeakPolarHBondContact OD1-CG2 3.35Å; D146-V148 PolarHBondContact OD1-N 2.8Å; D146-V148 VanDerWaalsContact OD1-N 3.13Å; D146-Y149 WeakPolarHBondContact O-CB 3.4Å; D146-Y149 PolarHBondContact O-N 3.35Å; D146-Y149 VanDerWaalsContact O-N 3.14Å
147	A	98.8	Very high	98.7	Very high	23 Å²	23	41.8 Å²	41.8	19%	0.19	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.7	175.9	0	0	0	0	0	114	P217 M342 T343	A147-P217 HydrophobicContact CB-CG 3.87Å; A147-M342 CarbonylContact O-C 3.52Å; A147-M342 WeakPolarHBondContact O-CA 3.37Å; A147-T343 WeakPolarHBondContact CB-OG1 3.46Å; A147-T343 PolarHBondContact O-N 3.24Å
148	V	98.9	Very high	98.7	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	15.2	179.5	-56.7	0	0	0	0	114.1	F139 D146 L150 P217 I293 M342	F139-V148 HydrophobicContact CB-CG2 3.81Å; F139-V148 HydrophobicContact CD1-CG1 4.16Å; F139-V148 HydrophobicContact CD1-CG2 4.4Å; F139-V148 HydrophobicContact CG-CG2 4.48Å; D146-V148 PolarHBondContact O-N 2.94Å; D146-V148 VanDerWaalsContact O-N 3.09Å; D146-V148 WeakPolarHBondContact OD1-CG2 3.35Å; D146-V148 PolarHBondContact OD1-N 2.8Å; D146-V148 VanDerWaalsContact OD1-N 3.13Å; V148-L150 PolarHBondContact O-N 2.93Å; V148-P217 HydrophobicContact CG1-CB 3.57Å; V148-P217 HydrophobicContact CG1-CG 3.82Å; V148-I293 HydrophobicContact CG1-CG1 4.36Å; V148-I293 HydrophobicContact CG1-CG2 4.28Å; V148-M342 HydrophobicContact CG1-CB 4.25Å
149	Y	98.9	Very high	98.7	Very high	80 Å²	80	42.2 Å²	42.2	31%	0.314	23%	0.227	S	C	.	.			trans	-57.5	133.2	-178.8	175.7	-112.9	0	0	0	113	A141 C143 P144 D146 D151 W341	A141-Y149 WeakPolarHBondContact O-CA 3.38Å; A141-Y149 WeakPolarHBondContact O-CD2 3.37Å; C143-Y149 WeakPolarHBondContact O-CB 3.36Å; C143-Y149 WeakPolarHBondContact O-CD2 3.36Å; P144-Y149 HydrophobicContact CB-CD2 4.42Å; P144-Y149 HydrophobicContact CB-CE2 4.24Å; P144-Y149 HydrophobicContact CG-CD2 4.43Å; P144-Y149 HydrophobicContact CG-CE2 3.95Å; D146-Y149 WeakPolarHBondContact O-CB 3.4Å; D146-Y149 PolarHBondContact O-N 3.35Å; D146-Y149 VanDerWaalsContact O-N 3.14Å; Y149-D151 HydrophobicContact CE1-CB 4Å; Y149-W341 PolarHBondContact O-NE1 3.41Å
150	L	98.6	Very high	98.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.227	C	C	.	.			trans	-119.8	132.1	167.9	-82.9	172.2	0	0	0	108.6	A141 V148 E155 R156 Y159 P294 W341	A141-L150 PolarHBondContact O-N 2.95Å; V148-L150 PolarHBondContact O-N 2.93Å; L150-E155 HydrophobicContact CD1-CB 4.12Å; L150-R156 HydrophobicContact CB-CG 3.56Å; L150-R156 HydrophobicContact CD1-CG 4.34Å; L150-R156 WeakPolarHBondContact O-CD 3.42Å; L150-R156 PolarHBondContact O-NE 3.23Å; L150-R156 VanDerWaalsContact O-NE 3.15Å; L150-Y159 HydrophobicContact CD1-CD2 4.15Å; L150-P294 HydrophobicContact CD1-CB 3.45Å; L150-P294 VanDerWaalsContact CD1-CB 3.45Å; L150-P294 HydrophobicContact CD1-CG 3.64Å; L150-P294 HydrophobicContact CG-CB 4.4Å; L150-P294 HydrophobicContact CG-CG 4.19Å; L150-W341 HydrophobicContact CD2-CB 4.46Å; L150-W341 HydrophobicContact CD2-CD2 3.54Å; L150-W341 VanDerWaalsContact CD2-CE2 3.47Å; L150-W341 HydrophobicContact CD2-CE3 4.18Å; L150-W341 HydrophobicContact CD2-CG 3.64Å; L150-W341 HydrophobicContact CD2-CZ2 4.06Å; L150-W341 HydrophobicContact CG-CD2 4.39Å; L150-W341 HydrophobicContact CG-CG 3.98Å
151	D	98.2	Very high	98.7	Very high	117 Å²	117	43.2 Å²	43.2	63%	0.626	23%	0.233	S	C	*	.	S	Bend	trans	-74.9	-37.7	-178.1	59.7	-3.8	0	0	0	112.6	Y149 R156	Y149-D151 HydrophobicContact CE1-CB 4Å; D151-R156 PolarHBondContact O-NH2 3.44Å
152	S	98.7	Very high	98.7	Very high	35 Å²	35	44.9 Å²	44.9	25%	0.245	24%	0.243	C	C	.	.			trans	-74.6	126.3	178.3	177.7	0	0	0	0	112	E154 E155 R156	S152-E154 PolarHBondContact OG-N 2.82Å; S152-E155 PolarHBondContact OG-N 3Å; S152-R156 WeakPolarHBondContact O-CG 3.31Å; S152-R156 PolarHBondContact O-N 2.77Å; S152-R156 VanDerWaalsContact O-N 3.16Å; S152-R156 PolarHBondContact O-NE 3.12Å; S152-R156 VanDerWaalsContact O-NE 3.13Å
153	E	98.8	Very high	98.7	Very high	80 Å²	80	44.2 Å²	44.2	37%	0.374	24%	0.241	S	C	.	.	H	α-helix	trans	-64.7	-39.3	172.7	-174.4	59.6	-150.8	0	0	112	W142 E155 R156 Q157	W142-E153 PolarHBondContact NE1-OE1 2.85Å; W142-E153 VanDerWaalsContact NE1-OE1 3.14Å; W142-E153 PolarHBondContact NE1-OE2 3.14Å; E153-E155 VanDerWaalsContact C-N 3.31Å; E153-E155 PolarHBondContact O-N 3.43Å; E153-R156 PolarHBondContact O-N 2.86Å; E153-R156 IonicContact OE2-CZ 3.53Å; E153-R156 IonicContact OE2-NE 3.99Å; E153-R156 PolarHBondContact OE2-NE 3.08Å; E153-R156 IonicContact OE2-NH1 2.71Å; E153-R156 PolarHBondContact OE2-NH1 3.33Å; E153-R156 IonicContact OE2-NH2 3.74Å; E153-R156 PolarHBondContact OE2-NH2 2.86Å; E153-Q157 WeakPolarHBondContact O-CB 3.38Å; E153-Q157 PolarHBondContact O-N 2.93Å
154	E	98.8	Very high	98.7	Very high	139 Å²	139	44.1 Å²	44.1	65%	0.65	24%	0.239	S	C	*	.	H	α-helix	trans	-64.6	-38.5	-179.4	-62.1	-175	172.9	0	0	111.3	S152 Q157 E158 V431	S152-E154 PolarHBondContact OG-N 2.82Å; E154-Q157 PolarHBondContact O-N 2.81Å; E154-E158 WeakPolarHBondContact O-CB 3.37Å; E154-E158 PolarHBondContact O-N 2.87Å; E154-V431 VanDerWaalsContact C-CG1 3.47Å; E154-V431 HydrophobicContact CB-CG1 3.67Å; E154-V431 VanDerWaalsContact O-CG1 3.31Å; E154-V431 WeakPolarHBondContact O-CG1 3.45Å
155	E	98.8	Very high	98.7	Very high	58 Å²	58	39.5 Å²	39.5	27%	0.271	21%	0.209	S	C	.	.	H	α-helix	trans	-68	-41.3	175.7	-67.7	-170.6	-164.3	0	0	112	L150 S152 E153 Q157 E158 Y159 V431	L150-E155 HydrophobicContact CD1-CB 4.12Å; S152-E155 PolarHBondContact OG-N 3Å; E153-E155 VanDerWaalsContact C-N 3.31Å; E153-E155 PolarHBondContact O-N 3.43Å; E155-Q157 VanDerWaalsContact C-N 3.32Å; E155-Q157 PolarHBondContact O-N 3.1Å; E155-E158 PolarHBondContact O-N 2.92Å; E155-Y159 HydrophobicContact CB-CD2 3.81Å; E155-Y159 HydrophobicContact CB-CE2 3.82Å; E155-Y159 HydrophobicContact CG-CD2 4.41Å; E155-Y159 HydrophobicContact CG-CE2 3.9Å; E155-Y159 VanDerWaalsContact O-CB 3.26Å; E155-Y159 WeakPolarHBondContact O-CB 3.37Å; E155-Y159 WeakPolarHBondContact O-CD2 3.44Å; E155-Y159 PolarHBondContact O-N 3.36Å; E155-V431 HydrophobicContact CG-CG1 4.43Å; E155-V431 HydrophobicContact CG-CG2 4.06Å
156	R	98.8	Very high	98.8	Very high	30 Å²	30	35.9 Å²	35.9	11%	0.113	18%	0.178	C	C	.	.	H	α-helix	trans	-60.2	-44.5	173.5	-72.7	177.5	-77.2	168.7	-0.5	111.3	A141 W142 L150 D151 S152 E153 V160	A141-R156 HydrophobicContact CB-CG 4.01Å; A141-R156 VanDerWaalsContact O-CD 3.24Å; A141-R156 WeakPolarHBondContact O-CD 3.46Å; W142-R156 HydrophobicContact CH2-CB 4.21Å; W142-R156 HydrophobicContact CZ2-CB 3.67Å; L150-R156 HydrophobicContact CB-CG 3.56Å; L150-R156 HydrophobicContact CD1-CG 4.34Å; L150-R156 WeakPolarHBondContact O-CD 3.42Å; L150-R156 PolarHBondContact O-NE 3.23Å; L150-R156 VanDerWaalsContact O-NE 3.15Å; D151-R156 PolarHBondContact O-NH2 3.44Å; S152-R156 WeakPolarHBondContact O-CG 3.31Å; S152-R156 PolarHBondContact O-N 2.77Å; S152-R156 VanDerWaalsContact O-N 3.16Å; S152-R156 PolarHBondContact O-NE 3.12Å; S152-R156 VanDerWaalsContact O-NE 3.13Å; E153-R156 PolarHBondContact O-N 2.86Å; E153-R156 IonicContact OE2-CZ 3.53Å; E153-R156 IonicContact OE2-NE 3.99Å; E153-R156 PolarHBondContact OE2-NE 3.08Å; E153-R156 IonicContact OE2-NH1 2.71Å; E153-R156 PolarHBondContact OE2-NH1 3.33Å; E153-R156 IonicContact OE2-NH2 3.74Å; E153-R156 PolarHBondContact OE2-NH2 2.86Å; R156-V160 VanDerWaalsContact O-CB 3.29Å; R156-V160 WeakPolarHBondContact O-CB 3.26Å; R156-V160 PolarHBondContact O-N 3.44Å
157	Q	98.8	Very high	98.8	Very high	88 Å²	88	35.6 Å²	35.6	41%	0.411	18%	0.177	S	C	.	.	I	π-helix	trans	-59.6	-51.7	175.5	-171.4	69.9	44.4	0	0	111	E153 E154 E155 L161 T162	E153-Q157 WeakPolarHBondContact O-CB 3.38Å; E153-Q157 PolarHBondContact O-N 2.93Å; E154-Q157 PolarHBondContact O-N 2.81Å; E155-Q157 VanDerWaalsContact C-N 3.32Å; E155-Q157 PolarHBondContact O-N 3.1Å; Q157-L161 CarbonylContact O-C 3.58Å; Q157-L161 WeakPolarHBondContact O-CA 3.46Å; Q157-L161 WeakPolarHBondContact O-CB 3.25Å; Q157-L161 PolarHBondContact O-N 2.81Å; Q157-T162 PolarHBondContact O-N 3.01Å; Q157-T162 PolarHBondContact O-OG1 3.18Å
158	E	98.9	Very high	98.8	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.028	17%	0.169	C	C	.	.	I	π-helix	trans	-66	-44.9	-177.7	-179.7	66.4	-151.8	0	0	113.1	E154 E155 T162 R289 K429 V431 G432	E154-E158 WeakPolarHBondContact O-CB 3.37Å; E154-E158 PolarHBondContact O-N 2.87Å; E155-E158 PolarHBondContact O-N 2.92Å; E158-T162 WeakPolarHBondContact O-CB 3.48Å; E158-R289 PolarHBondContact O-NH1 3.44Å; E158-R289 PolarHBondContact O-NH2 2.75Å; E158-R289 VanDerWaalsContact O-NH2 3.17Å; E158-K429 WeakPolarHBondContact OE1-CD 3.07Å; E158-K429 IonicContact OE1-NZ 3.74Å; E158-K429 PolarHBondContact OE1-NZ 3.46Å; E158-K429 IonicContact OE2-NZ 3.74Å; E158-K429 PolarHBondContact OE2-NZ 2.69Å; E158-V431 HydrophobicContact CB-CB 4.4Å; E158-V431 HydrophobicContact CB-CG1 3.97Å; E158-V431 HydrophobicContact CB-CG2 4.44Å; E158-V431 HydrophobicContact CG-CG2 4.48Å; E158-G432 PolarHBondContact OE2-N 2.83Å; E158-G432 VanDerWaalsContact OE2-N 3.1Å
159	Y	98.9	Very high	98.7	Very high	4 Å²	4	35 Å²	35	2%	0.016	17%	0.17	C	C	.	.	I	π-helix	trans	-93.4	-7.5	-167.7	-57.6	-45.6	0	0	0	113.8	L150 E155 R289 P294 T295 R296 W354 V431	L150-Y159 HydrophobicContact CD1-CD2 4.15Å; E155-Y159 HydrophobicContact CB-CD2 3.81Å; E155-Y159 HydrophobicContact CB-CE2 3.82Å; E155-Y159 HydrophobicContact CG-CD2 4.41Å; E155-Y159 HydrophobicContact CG-CE2 3.9Å; E155-Y159 VanDerWaalsContact O-CB 3.26Å; E155-Y159 WeakPolarHBondContact O-CB 3.37Å; E155-Y159 WeakPolarHBondContact O-CD2 3.44Å; E155-Y159 PolarHBondContact O-N 3.36Å; Y159-R289 VanDerWaalsContact O-CG 3.32Å; Y159-R289 WeakPolarHBondContact O-CG 3.31Å; Y159-R289 PolarHBondContact O-NE 3.16Å; Y159-P294 WeakPolarHBondContact O-CA 3.37Å; Y159-T295 PolarHBondContact O-N 3.21Å; Y159-R296 HydrophobicContact CD1-CB 3.85Å; Y159-R296 HydrophobicContact CE1-CB 3.82Å; Y159-R296 HydrophobicContact CE1-CG 4.32Å; Y159-R296 PolarHBondContact OH-NH1 3.13Å; Y159-W354 HydrophobicContact CD1-CH2 4.25Å; Y159-W354 AromaticContact CD2-CH2 3.63Å; Y159-W354 HydrophobicContact CD2-CH2 3.63Å; Y159-W354 AromaticContact CD2-CZ2 3.83Å; Y159-W354 HydrophobicContact CD2-CZ2 3.83Å; Y159-W354 HydrophobicContact CE1-CH2 4.39Å; Y159-W354 AromaticContact CE2-CH2 3.79Å; Y159-W354 HydrophobicContact CE2-CH2 3.79Å; Y159-W354 AromaticContact CE2-CZ2 3.53Å; Y159-W354 HydrophobicContact CE2-CZ2 3.53Å; Y159-W354 AromaticContact CG-CH2 3.87Å; Y159-W354 HydrophobicContact CG-CH2 3.87Å; Y159-W354 HydrophobicContact CG-CZ2 4.46Å; Y159-W354 AromaticContact CZ-CZ2 3.93Å; Y159-V431 HydrophobicContact CE1-CG2 4.37Å; Y159-V431 HydrophobicContact CE2-CG2 3.92Å; Y159-V431 VanDerWaalsContact OH-CG2 3.26Å; Y159-V431 WeakPolarHBondContact OH-CG2 3.37Å
160	V	98.9	Very high	98.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	I	π-helix	trans	-123.2	-49.8	174.9	-173.9	0	0	0	0	111.9	A141 W142 R156 Q184 P294	A141-V160 HydrophobicContact CB-CG2 4.01Å; W142-V160 HydrophobicContact CH2-CB 4.05Å; W142-V160 HydrophobicContact CH2-CG1 4.1Å; W142-V160 HydrophobicContact CH2-CG2 4.49Å; W142-V160 HydrophobicContact CZ3-CB 4.4Å; W142-V160 HydrophobicContact CZ3-CG1 4.13Å; R156-V160 VanDerWaalsContact O-CB 3.29Å; R156-V160 WeakPolarHBondContact O-CB 3.26Å; R156-V160 PolarHBondContact O-N 3.44Å; V160-Q184 PolarHBondContact O-NE2 2.83Å; V160-P294 HydrophobicContact CG2-CB 3.9Å; V160-P294 HydrophobicContact CG2-CG 3.77Å
161	L	98.9	Very high	98.3	Very high	22 Å²	22	31.6 Å²	31.6	12%	0.115	16%	0.158	C	C	.	.	I	π-helix	trans	-92.8	-33.3	-167.1	-57.1	-178.4	0	0	0	114	H22 W142 Q157 Q163 F185	H22-L161 HydrophobicContact CB-CD1 4.12Å; H22-L161 HydrophobicContact CB-CD2 4.18Å; H22-L161 WeakPolarHBondContact O-CD2 3.25Å; W142-L161 HydrophobicContact CH2-CD1 3.85Å; W142-L161 HydrophobicContact CH2-CD2 3.81Å; W142-L161 HydrophobicContact CH2-CG 3.71Å; W142-L161 HydrophobicContact CZ2-CD1 3.66Å; W142-L161 HydrophobicContact CZ2-CD2 4.46Å; W142-L161 HydrophobicContact CZ2-CG 4.02Å; Q157-L161 CarbonylContact O-C 3.58Å; Q157-L161 WeakPolarHBondContact O-CA 3.46Å; Q157-L161 WeakPolarHBondContact O-CB 3.25Å; Q157-L161 PolarHBondContact O-N 2.81Å; L161-Q163 WeakPolarHBondContact O-CG 3.14Å; L161-Q163 PolarHBondContact O-N 3.01Å; L161-F185 HydrophobicContact CB-CE2 4.38Å; L161-F185 HydrophobicContact CD2-CE2 3.92Å; L161-F185 HydrophobicContact CD2-CZ 3.81Å
162	T	98.9	Very high	98.2	Very high	34 Å²	34	26.8 Å²	26.8	21%	0.209	14%	0.135	C	C	.	.			trans	-63	121.7	180	-67	0	0	0	0	110.3	Q157 E158 Q164 Q184 R289	Q157-T162 PolarHBondContact O-N 3.01Å; Q157-T162 PolarHBondContact O-OG1 3.18Å; E158-T162 WeakPolarHBondContact O-CB 3.48Å; T162-Q164 WeakPolarHBondContact CG2-O 3.38Å; T162-Q184 PolarHBondContact O-NE2 3.22Å; T162-R289 PolarHBondContact O-NH1 2.83Å
163	Q	98.8	Very high	97.9	Very high	13 Å²	13	32.1 Å²	32.1	6%	0.061	15%	0.154	C	C	.	.			trans	-95.6	-7.3	-172.9	-60	-164.5	80.3	0	0	114.2	L161 F182 G183 F185 A627	L161-Q163 WeakPolarHBondContact O-CG 3.14Å; L161-Q163 PolarHBondContact O-N 3.01Å; Q163-F182 WeakPolarHBondContact O-CA 3.24Å; Q163-F182 WeakPolarHBondContact O-CB 3.14Å; Q163-F182 PolarHBondContact O-N 2.92Å; Q163-G183 PolarHBondContact O-N 2.9Å; Q163-F185 HydrophobicContact CG-CD2 4Å; Q163-F185 HydrophobicContact CG-CE2 4.46Å; Q163-A627 HydrophobicContact CB-CB 4.07Å
164	Q	98.8	Very high	97.8	Very high	11 Å²	11	32.5 Å²	32.5	5%	0.051	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.1	175	-58.1	90.2	21.5	0	0	111.4	T162 W180 N181 A627 K663	T162-Q164 WeakPolarHBondContact CG2-O 3.38Å; Q164-W180 VanDerWaalsContact CA-O 3.29Å; Q164-W180 WeakPolarHBondContact CA-O 3.31Å; Q164-N181 HydrophobicContact CG-CB 4.44Å; Q164-N181 WeakPolarHBondContact CG-OD1 3.4Å; Q164-N181 PolarHBondContact NE2-OD1 2.85Å; Q164-A627 VanDerWaalsContact NE2-CB 3.3Å; Q164-A627 PolarHBondContact NE2-O 2.86Å; Q164-K663 HydrophobicContact CB-CB 3.6Å; Q164-K663 HydrophobicContact CB-CD 4.36Å; Q164-K663 HydrophobicContact CG-CB 3.9Å
165	G	98.7	Very high	97.7	Very high	1 Å²	1	28 Å²	28	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	-158.4	-179.8	0	0	0	0	0	113	W180	G165-W180 PolarHBondContact N-O 2.9Å; G165-W180 PolarHBondContact O-N 2.65Å
166	F	98.9	Very high	97.6	Very high	5 Å²	5	27.9 Å²	27.9	2%	0.022	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143.8	176	-66.8	-63.2	0	0	0	110.8	Y168 I178 P179 K429 D434 K663 F679	F166-Y168 HydrophobicContact CB-CE2 4.26Å; F166-I178 WeakPolarHBondContact CA-O 3.26Å; F166-P179 HydrophobicContact CD1-CB 4.25Å; F166-P179 HydrophobicContact CE1-CB 4.01Å; F166-K429 HydrophobicContact CD2-CD 4.01Å; F166-K429 HydrophobicContact CD2-CG 4.22Å; F166-D434 HydrophobicContact CE2-CB 3.62Å; F166-D434 VanDerWaalsContact CE2-CG 3.46Å; F166-D434 WeakPolarHBondContact CE2-O 3.38Å; F166-D434 WeakPolarHBondContact CE2-OD1 3.47Å; F166-D434 HydrophobicContact CZ-CB 4.28Å; F166-K663 HydrophobicContact CE1-CD 4.39Å; F166-K663 HydrophobicContact CZ-CD 4.31Å; F166-F679 AromaticContact CE1-CD1 3.82Å; F166-F679 HydrophobicContact CE1-CD1 3.82Å; F166-F679 HydrophobicContact CE1-CD2 4.4Å; F166-F679 AromaticContact CE1-CE1 3.71Å; F166-F679 HydrophobicContact CE1-CE1 3.71Å; F166-F679 HydrophobicContact CE1-CE2 4.32Å; F166-F679 HydrophobicContact CE1-CG 4.17Å; F166-F679 AromaticContact CE1-CZ 3.98Å; F166-F679 HydrophobicContact CE1-CZ 3.98Å; F166-F679 HydrophobicContact CZ-CD1 4.17Å; F166-F679 HydrophobicContact CZ-CD2 4.14Å; F166-F679 AromaticContact CZ-CE1 3.74Å; F166-F679 HydrophobicContact CZ-CE1 3.74Å; F166-F679 AromaticContact CZ-CE2 3.71Å; F166-F679 HydrophobicContact CZ-CE2 3.71Å; F166-F679 HydrophobicContact CZ-CG 4.36Å; F166-F679 AromaticContact CZ-CZ 3.5Å; F166-F679 HydrophobicContact CZ-CZ 3.5Å
167	I	98.8	Very high	97.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.6	165	-51.9	174	0	0	0	106	Q169 I178 W180 W278 A282 V297	I167-Q169 HydrophobicContact CG2-CG 4.39Å; I167-I178 PolarHBondContact N-O 3.49Å; I167-I178 WeakPolarHBondContact O-CB 3.39Å; I167-I178 PolarHBondContact O-N 2.94Å; I167-W180 HydrophobicContact CD1-CB 4.05Å; I167-W180 HydrophobicContact CD1-CD2 3.64Å; I167-W180 HydrophobicContact CD1-CE3 3.56Å; I167-W180 HydrophobicContact CD1-CG 3.88Å; I167-W180 HydrophobicContact CD1-CZ3 4.19Å; I167-W180 HydrophobicContact CG1-CB 4.15Å; I167-W180 HydrophobicContact CG1-CG 4.46Å; I167-W278 HydrophobicContact CD1-CB 4.24Å; I167-W278 HydrophobicContact CG2-CB 3.64Å; I167-A282 HydrophobicContact CD1-CB 3.69Å; I167-V297 HydrophobicContact CG1-CG1 4.36Å; I167-V297 HydrophobicContact CG2-CG1 4.22Å
168	Y	98.8	Very high	97.6	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.02	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	137.2	179.9	-64.6	-83.3	0	0	0	109.7	F166 I175 K176 T299 Y301 T428 K429 E435 R436	F166-Y168 HydrophobicContact CB-CE2 4.26Å; Y168-I175 HydrophobicContact CD1-CG2 3.62Å; Y168-I175 HydrophobicContact CG-CG2 4.29Å; Y168-K176 CarbonylContact C-O 3.52Å; Y168-K176 WeakPolarHBondContact CA-O 3.25Å; Y168-T299 PolarHBondContact N-OG1 2.95Å; Y168-T299 WeakPolarHBondContact O-CG2 3.25Å; Y168-T299 PolarHBondContact O-OG1 3.11Å; Y168-Y301 WeakPolarHBondContact CB-OH 3.48Å; Y168-T428 VanDerWaalsContact CE2-O 3.31Å; Y168-T428 WeakPolarHBondContact CE2-O 3.18Å; Y168-K429 HydrophobicContact CE2-CB 4.38Å; Y168-E435 PolarHBondContact OH-O 3.33Å; Y168-R436 HydrophobicContact CD1-CB 4.35Å; Y168-R436 HydrophobicContact CD1-CG 3.92Å; Y168-R436 HydrophobicContact CE1-CB 3.51Å; Y168-R436 HydrophobicContact CE1-CG 3.51Å; Y168-R436 HydrophobicContact CE2-CG 4.2Å; Y168-R436 HydrophobicContact CG-CG 4.38Å; Y168-R436 WeakPolarHBondContact OH-CA 3.47Å; Y168-R436 PolarHBondContact OH-N 2.9Å
169	Q	97.4	Very high	97.6	Very high	7 Å²	7	25 Å²	25	3%	0.033	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	-169	-179.6	-59.4	-173.5	4	0	0	110.1	I167 K176 I178 Y301 F334	I167-Q169 HydrophobicContact CG2-CG 4.39Å; Q169-K176 PolarHBondContact N-O 2.85Å; Q169-K176 PolarHBondContact O-N 2.71Å; Q169-I178 HydrophobicContact CB-CG1 4.07Å; Q169-I178 HydrophobicContact CG-CG1 3.9Å; Q169-Y301 PolarHBondContact N-OH 2.81Å; Q169-Y301 PolarHBondContact O-OH 3.07Å; Q169-F334 HydrophobicContact CB-CE1 3.9Å; Q169-F334 HydrophobicContact CB-CE2 4.26Å; Q169-F334 HydrophobicContact CB-CZ 3.76Å; Q169-F334 HydrophobicContact CG-CE1 4.33Å; Q169-F334 HydrophobicContact CG-CE2 3.84Å; Q169-F334 HydrophobicContact CG-CZ 3.66Å
170	G	94.9	Very high	97.6	Very high	3 Å²	3	24.8 Å²	24.8	3%	0.031	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.4	-124.6	-179.4	0	0	0	0	0	110.7
171	S	94.6	Very high	97.6	Very high	5 Å²	5	24.8 Å²	24.8	4%	0.035	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	160	179.9	70.3	0	0	0	0	111.8	K173 F174 I175 Y301	S171-K173 PolarHBondContact O-N 3.16Å; S171-F174 PolarHBondContact N-O 2.75Å; S171-F174 VanDerWaalsContact N-O 3.08Å; S171-F174 CarbonylContact O-C 3.58Å; S171-F174 PolarHBondContact O-N 2.82Å; S171-F174 VanDerWaalsContact O-O 3.1Å; S171-F174 PolarHBondContact OG-N 2.81Å; S171-F174 VanDerWaalsContact OG-N 3.14Å; S171-I175 WeakPolarHBondContact O-CG1 3.17Å; S171-I175 PolarHBondContact O-N 2.63Å; S171-Y301 VanDerWaalsContact C-CD1 3.47Å
172	A	94.5	Very high	97.6	Very high	17 Å²	17	24 Å²	24	14%	0.14	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-24.2	176.3	0	0	0	0	0	113.7	Y301 L424	A172-Y301 HydrophobicContact CB-CD1 4.42Å; A172-Y301 HydrophobicContact CB-CG 4.17Å; A172-Y301 VanDerWaalsContact N-CD1 3.33Å; A172-L424 HydrophobicContact CB-CB 4.37Å; A172-L424 HydrophobicContact CB-CD1 4.32Å
173	K	94.3	Very high	97.6	Very high	147 Å²	147	22.4 Å²	22.4	64%	0.639	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-15.8	179.3	-60.1	-59.6	-175.4	-174.2	0	113.4	S171	S171-K173 PolarHBondContact O-N 3.16Å
174	F	95.3	Very high	97.6	Very high	88 Å²	88	21.8 Å²	21.8	39%	0.386	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	88.7	178.1	-162.8	-100.7	0	0	0	109	S171 K176 Y583	S171-F174 PolarHBondContact N-O 2.75Å; S171-F174 VanDerWaalsContact N-O 3.08Å; S171-F174 CarbonylContact O-C 3.58Å; S171-F174 PolarHBondContact O-N 2.82Å; S171-F174 VanDerWaalsContact O-O 3.1Å; S171-F174 PolarHBondContact OG-N 2.81Å; S171-F174 VanDerWaalsContact OG-N 3.14Å; F174-K176 HydrophobicContact CD1-CD 4.09Å; F174-K176 HydrophobicContact CD1-CG 4.38Å; F174-K176 HydrophobicContact CE1-CD 3.69Å; F174-K176 HydrophobicContact CE1-CG 4.43Å; F174-Y583 AromaticContact CD1-CD1 3.65Å; F174-Y583 HydrophobicContact CD1-CD1 3.65Å; F174-Y583 HydrophobicContact CD1-CG 4.31Å; F174-Y583 AromaticContact CE1-CD1 3.84Å; F174-Y583 HydrophobicContact CE1-CD1 3.84Å; F174-Y583 HydrophobicContact CE1-CE1 4.37Å
175	I	97.4	Very high	97.6	Very high	45 Å²	45	21.8 Å²	21.8	23%	0.231	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	130	-175.7	-65.1	172.6	0	0	0	108.9	Y168 S171 Y301 K425	Y168-I175 HydrophobicContact CD1-CG2 3.62Å; Y168-I175 HydrophobicContact CG-CG2 4.29Å; S171-I175 WeakPolarHBondContact O-CG1 3.17Å; S171-I175 PolarHBondContact O-N 2.63Å; I175-Y301 HydrophobicContact CD1-CE2 4.04Å; I175-Y301 HydrophobicContact CG1-CE1 4.32Å; I175-Y301 HydrophobicContact CG1-CE2 4.01Å; I175-Y301 VanDerWaalsContact CG2-OH 3.32Å; I175-Y301 WeakPolarHBondContact CG2-OH 3.46Å; I175-K425 HydrophobicContact CD1-CB 3.89Å; I175-K425 HydrophobicContact CD1-CG 4.29Å
176	K	97.1	Very high	97.5	Very high	54 Å²	54	22.1 Å²	22.1	24%	0.235	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138	173.3	-65.9	-63	-65.1	-173.7	0	110.6	Y168 Q169 F174 I178 Y583 E585	Y168-K176 CarbonylContact C-O 3.52Å; Y168-K176 WeakPolarHBondContact CA-O 3.25Å; Q169-K176 PolarHBondContact N-O 2.85Å; Q169-K176 PolarHBondContact O-N 2.71Å; F174-K176 HydrophobicContact CD1-CD 4.09Å; F174-K176 HydrophobicContact CD1-CG 4.38Å; F174-K176 HydrophobicContact CE1-CD 3.69Å; F174-K176 HydrophobicContact CE1-CG 4.43Å; K176-I178 HydrophobicContact CB-CD1 4.45Å; K176-Y583 HydrophobicContact CD-CD1 4.19Å; K176-Y583 HydrophobicContact CD-CE1 3.73Å; K176-Y583 HydrophobicContact CG-CD1 3.79Å; K176-Y583 HydrophobicContact CG-CE1 3.39Å; K176-Y583 HydrophobicContact CG-CE2 4.33Å; K176-Y583 HydrophobicContact CG-CG 4.38Å; K176-E585 IonicContact NZ-OE1 3.76Å; K176-E585 PolarHBondContact NZ-OE1 3.13Å
177	S	97.9	Very high	97.5	Very high	49 Å²	49	26.1 Å²	26.1	34%	0.343	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	114.2	168.5	44.6	0	0	0	0	109.3
178	I	98.5	Very high	97.4	Very high	12 Å²	12	27.5 Å²	27.5	6%	0.062	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	118.5	174.6	-57.9	-54.4	0	0	0	108.5	F166 I167 Q169 K176 K677	F166-I178 WeakPolarHBondContact CA-O 3.26Å; I167-I178 PolarHBondContact N-O 3.49Å; I167-I178 WeakPolarHBondContact O-CB 3.39Å; I167-I178 PolarHBondContact O-N 2.94Å; Q169-I178 HydrophobicContact CB-CG1 4.07Å; Q169-I178 HydrophobicContact CG-CG1 3.9Å; K176-I178 HydrophobicContact CB-CD1 4.45Å; I178-K677 HydrophobicContact CD1-CG 4.27Å; I178-K677 HydrophobicContact CG2-CG 4.05Å
179	P	98.8	Very high	97.4	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.013	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	142.4	179.8	29.5	-36.8	0	0	0	111.3	F166 K663 V665 K677 F679	F166-P179 HydrophobicContact CD1-CB 4.25Å; F166-P179 HydrophobicContact CE1-CB 4.01Å; P179-K663 HydrophobicContact CB-CD 4.42Å; P179-V665 HydrophobicContact CB-CG1 3.83Å; P179-V665 HydrophobicContact CB-CG2 4.14Å; P179-V665 HydrophobicContact CG-CG1 3.75Å; P179-K677 HydrophobicContact CG-CB 4.31Å; P179-F679 HydrophobicContact CB-CB 3.63Å; P179-F679 HydrophobicContact CB-CD1 4.24Å; P179-F679 HydrophobicContact CB-CG 4.14Å; P179-F679 HydrophobicContact CG-CB 3.9Å; P179-F679 HydrophobicContact CG-CD1 4.3Å
180	W	98.9	Very high	97.4	Very high	1 Å²	1	27.6 Å²	27.6	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	133.9	179.1	-161.7	-90.1	0	0	0	112	Q164 G165 I167 F182 W254 I255 S257 I260 V279 A282	Q164-W180 VanDerWaalsContact CA-O 3.29Å; Q164-W180 WeakPolarHBondContact CA-O 3.31Å; G165-W180 PolarHBondContact N-O 2.9Å; G165-W180 PolarHBondContact O-N 2.65Å; I167-W180 HydrophobicContact CD1-CB 4.05Å; I167-W180 HydrophobicContact CD1-CD2 3.64Å; I167-W180 HydrophobicContact CD1-CE3 3.56Å; I167-W180 HydrophobicContact CD1-CG 3.88Å; I167-W180 HydrophobicContact CD1-CZ3 4.19Å; I167-W180 HydrophobicContact CG1-CB 4.15Å; I167-W180 HydrophobicContact CG1-CG 4.46Å; W180-F182 AromaticContact CD1-CD1 3.74Å; W180-F182 AromaticContact CD1-CE1 3.9Å; W180-W254 HydrophobicContact CH2-CB 3.49Å; W180-W254 VanDerWaalsContact CH2-CB 3.49Å; W180-W254 HydrophobicContact CH2-CG 4.47Å; W180-W254 HydrophobicContact CZ2-CB 4.4Å; W180-W254 HydrophobicContact CZ3-CB 3.94Å; W180-I255 WeakPolarHBondContact CA-O 3.31Å; W180-S257 PolarHBondContact NE1-OG 2.87Å; W180-I260 HydrophobicContact CZ2-CD1 4.37Å; W180-V279 HydrophobicContact CH2-CG1 4.22Å; W180-V279 HydrophobicContact CH2-CG2 4.38Å; W180-A282 HydrophobicContact CD2-CB 3.98Å; W180-A282 VanDerWaalsContact CE2-CB 3.41Å; W180-A282 HydrophobicContact CG-CB 4.21Å; W180-A282 HydrophobicContact CZ2-CB 3.73Å
181	N	98.9	Very high	97.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	100.9	169.4	-174.8	54.2	0	0	0	109.8	Q164 E186 I255 G256 S257 E625 A627 V665	Q164-N181 HydrophobicContact CG-CB 4.44Å; Q164-N181 WeakPolarHBondContact CG-OD1 3.4Å; Q164-N181 PolarHBondContact NE2-OD1 2.85Å; N181-E186 PolarHBondContact ND2-OE1 3.14Å; N181-I255 PolarHBondContact N-O 3.14Å; N181-G256 CarbonylContact O-C 3.58Å; N181-G256 WeakPolarHBondContact O-CA 3.49Å; N181-S257 PolarHBondContact O-N 3.18Å; N181-E625 HydrophobicContact CB-CG 4.42Å; N181-E625 PolarHBondContact ND2-OE1 2.87Å; N181-A627 WeakPolarHBondContact OD1-CB 3.16Å; N181-A627 PolarHBondContact OD1-N 2.83Å; N181-V665 HydrophobicContact CB-CG2 4.39Å
182	F	98.9	Very high	97.8	Very high	5 Å²	5	30.6 Å²	30.6	2%	0.022	16%	0.161	C	C	.	.			trans	-67.9	-43.5	172.9	-63.9	-67.1	0	0	0	110.8	Q163 W180 Q184 A282 C285 T286 V297	Q163-F182 WeakPolarHBondContact O-CA 3.24Å; Q163-F182 WeakPolarHBondContact O-CB 3.14Å; Q163-F182 PolarHBondContact O-N 2.92Å; W180-F182 AromaticContact CD1-CD1 3.74Å; W180-F182 AromaticContact CD1-CE1 3.9Å; F182-Q184 VanDerWaalsContact C-N 3.28Å; F182-Q184 VanDerWaalsContact CB-OE1 3.3Å; F182-Q184 PolarHBondContact O-N 2.75Å; F182-A282 HydrophobicContact CE1-CB 4.15Å; F182-C285 HydrophobicContact CD1-CB 4.17Å; F182-C285 HydrophobicContact CE1-CB 3.8Å; F182-T286 VanDerWaalsContact CA-OG1 3.25Å; F182-T286 WeakPolarHBondContact CA-OG1 3.49Å; F182-T286 WeakPolarHBondContact CB-OG1 3.35Å; F182-T286 WeakPolarHBondContact O-CG2 3.32Å; F182-T286 PolarHBondContact O-OG1 3.17Å; F182-V297 HydrophobicContact CE1-CG2 3.84Å; F182-V297 HydrophobicContact CZ-CG2 3.87Å
183	G	98.6	Very high	98	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.			trans	56.2	36	171.5	0	0	0	0	0	114.6	Q163 F185 E186	Q163-G183 PolarHBondContact O-N 2.9Å; G183-F185 PolarHBondContact O-N 2.77Å; G183-F185 VanDerWaalsContact O-N 3.11Å; G183-E186 WeakPolarHBondContact O-CB 3.39Å; G183-E186 PolarHBondContact O-N 2.75Å
184	Q	98.8	Very high	98.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.1	-175.1	62.2	-89.5	23.2	0	0	114.4	V160 T162 F182 T286 R289 C290	V160-Q184 PolarHBondContact O-NE2 2.83Å; T162-Q184 PolarHBondContact O-NE2 3.22Å; F182-Q184 VanDerWaalsContact C-N 3.28Å; F182-Q184 VanDerWaalsContact CB-OE1 3.3Å; F182-Q184 PolarHBondContact O-N 2.75Å; Q184-T286 HydrophobicContact CB-CG2 4.22Å; Q184-R289 HydrophobicContact CB-CB 4.34Å; Q184-R289 HydrophobicContact CG-CB 4.01Å; Q184-C290 HydrophobicContact CB-CB 3.81Å; Q184-C290 PolarHBondContact O-SG 3.32Å; Q184-C290 VanDerWaalsContact O-SG 3.33Å
185	F	98.6	Very high	98.4	Very high	11 Å²	11	21.9 Å²	21.9	5%	0.048	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	9.3	176.5	-45.7	-37.1	0	0	0	112.7	D25 L26 L161 Q163 G183	D25-F185 HydrophobicContact CB-CB 3.76Å; D25-F185 HydrophobicContact CB-CD2 4.19Å; D25-F185 HydrophobicContact CB-CG 4.27Å; L26-F185 HydrophobicContact CD1-CD1 3.67Å; L26-F185 HydrophobicContact CD1-CE1 3.81Å; L26-F185 HydrophobicContact CD2-CB 4.07Å; L26-F185 HydrophobicContact CD2-CD1 3.67Å; L26-F185 HydrophobicContact CD2-CG 4.25Å; L26-F185 HydrophobicContact CG-CB 4.27Å; L26-F185 HydrophobicContact CG-CD1 3.57Å; L26-F185 HydrophobicContact CG-CE1 4.2Å; L26-F185 HydrophobicContact CG-CG 4.11Å; L161-F185 HydrophobicContact CB-CE2 4.38Å; L161-F185 HydrophobicContact CD2-CE2 3.92Å; L161-F185 HydrophobicContact CD2-CZ 3.81Å; Q163-F185 HydrophobicContact CG-CD2 4Å; Q163-F185 HydrophobicContact CG-CE2 4.46Å; G183-F185 PolarHBondContact O-N 2.77Å; G183-F185 VanDerWaalsContact O-N 3.11Å
186	E	98.4	Very high	98.4	Very high	9 Å²	9	19.8 Å²	19.8	4%	0.042	11%	0.112	C	C	.	.	S	Bend	trans	-65.1	154.7	167.9	-73.4	-158.2	-142.9	0	0	111.3	N181 G183 G188 I189 V258 R262 A627	N181-E186 PolarHBondContact ND2-OE1 3.14Å; G183-E186 WeakPolarHBondContact O-CB 3.39Å; G183-E186 PolarHBondContact O-N 2.75Å; E186-G188 PolarHBondContact O-N 3.32Å; E186-I189 HydrophobicContact CB-CG1 4.04Å; E186-I189 WeakPolarHBondContact O-CB 3.3Å; E186-I189 WeakPolarHBondContact O-CG1 3.22Å; E186-I189 PolarHBondContact O-N 3.11Å; E186-I189 VanDerWaalsContact O-N 3.12Å; E186-V258 HydrophobicContact CB-CG1 4.2Å; E186-V258 HydrophobicContact CB-CG2 4.21Å; E186-V258 HydrophobicContact CG-CG2 4.17Å; E186-V258 WeakPolarHBondContact OE2-CG1 3.18Å; E186-R262 IonicContact OE2-CZ 2.94Å; E186-R262 IonicContact OE2-NH1 2.63Å; E186-R262 IonicContact OE2-NH2 2.7Å; E186-A627 HydrophobicContact CG-CB 3.56Å; E186-A627 VanDerWaalsContact OE1-CA 3.29Å; E186-A627 WeakPolarHBondContact OE1-CA 3.19Å; E186-A627 VanDerWaalsContact OE1-CB 3.31Å; E186-A627 WeakPolarHBondContact OE1-CB 3.5Å; E186-A627 PolarHBondContact OE1-N 2.86Å
187	D	97	Very high	98.4	Very high	89 Å²	89	17.2 Å²	17.2	48%	0.476	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	134.9	-170	-159.4	17.3	0	0	0	112.8	R28 I189 R262	R28-D187 IonicContact NH1-OD1 3.51Å; R28-D187 IonicContact NH1-OD2 2.67Å; D187-I189 PolarHBondContact O-N 2.9Å; D187-R262 PolarHBondContact O-NH2 2.72Å; D187-R262 VanDerWaalsContact O-NH2 3.12Å
188	G	97.3	Very high	98.4	Very high	29 Å²	29	18 Å²	18	30%	0.299	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	-8.2	-178.6	0	0	0	0	0	116.4	E186 L190 D191 I192	E186-G188 PolarHBondContact O-N 3.32Å; G188-L190 PolarHBondContact O-N 3.35Å; G188-D191 PolarHBondContact O-N 3.42Å; G188-I192 VanDerWaalsContact O-CG1 3.32Å; G188-I192 WeakPolarHBondContact O-CG1 3.3Å; G188-I192 PolarHBondContact O-N 2.9Å; G188-I192 VanDerWaalsContact O-N 3.08Å
189	I	98.8	Very high	98.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.8	-40.8	-175.2	-65.1	-62.9	0	0	0	112.1	E186 D187 D191 I192 C193 V258 L261 R262 T286	E186-I189 HydrophobicContact CB-CG1 4.04Å; E186-I189 WeakPolarHBondContact O-CB 3.3Å; E186-I189 WeakPolarHBondContact O-CG1 3.22Å; E186-I189 PolarHBondContact O-N 3.11Å; E186-I189 VanDerWaalsContact O-N 3.12Å; D187-I189 PolarHBondContact O-N 2.9Å; I189-D191 PolarHBondContact O-N 2.85Å; I189-I192 HydrophobicContact CD1-CD1 4.28Å; I189-I192 WeakPolarHBondContact O-CB 3.41Å; I189-I192 PolarHBondContact O-N 2.9Å; I189-I192 VanDerWaalsContact O-N 3.17Å; I189-C193 PolarHBondContact O-N 2.99Å; I189-C193 PolarHBondContact O-SG 2.79Å; I189-V258 HydrophobicContact CD1-CB 4.36Å; I189-V258 HydrophobicContact CD1-CG1 3.98Å; I189-V258 HydrophobicContact CG1-CG1 4.34Å; I189-L261 HydrophobicContact CD1-CB 4.02Å; I189-L261 HydrophobicContact CD1-CD1 4.26Å; I189-L261 HydrophobicContact CG2-CD1 4.13Å; I189-R262 HydrophobicContact CD1-CG 4.35Å; I189-T286 HydrophobicContact CG2-CG2 4.25Å
190	L	98.8	Very high	98.1	Very high	13 Å²	13	19.1 Å²	19.1	7%	0.068	11%	0.109	C	C	.	.	H	α-helix	trans	-60.1	-44.6	176.7	175.9	60.1	0	0	0	112.7	L26 V32 I136 L138 G188 I192 C193 L194 C290	L26-L190 HydrophobicContact CD1-CD2 4.3Å; L26-L190 HydrophobicContact CD2-CB 3.99Å; L26-L190 HydrophobicContact CD2-CD2 4.1Å; V32-L190 HydrophobicContact CG1-CD2 3.95Å; V32-L190 HydrophobicContact CG2-CD2 3.79Å; I136-L190 HydrophobicContact CB-CD2 4.48Å; I136-L190 HydrophobicContact CD1-CD2 3.63Å; I136-L190 HydrophobicContact CD1-CG 4.08Å; I136-L190 HydrophobicContact CG2-CD1 4.47Å; I136-L190 HydrophobicContact CG2-CD2 4.18Å; L138-L190 HydrophobicContact CD2-CD1 3.95Å; G188-L190 PolarHBondContact O-N 3.35Å; L190-I192 VanDerWaalsContact C-N 3.3Å; L190-I192 PolarHBondContact O-N 3.3Å; L190-C193 WeakPolarHBondContact O-CB 3.11Å; L190-C193 PolarHBondContact O-N 2.85Å; L190-L194 WeakPolarHBondContact O-CG 3.38Å; L190-L194 PolarHBondContact O-N 2.85Å; L190-C290 VanDerWaalsContact CA-SG 3.51Å
191	D	98.6	Very high	97.8	Very high	63 Å²	63	21.9 Å²	21.9	34%	0.337	13%	0.126	S	C	.	.	H	α-helix	trans	-63.2	-38.7	176.7	-74.2	-32.1	0	0	0	111	K30 G188 I189 L194 I195	K30-D191 IonicContact NZ-OD1 3.08Å; K30-D191 PolarHBondContact NZ-OD1 2.82Å; K30-D191 IonicContact NZ-OD2 3.63Å; K30-D191 PolarHBondContact NZ-OD2 2.88Å; G188-D191 PolarHBondContact O-N 3.42Å; I189-D191 PolarHBondContact O-N 2.85Å; D191-L194 PolarHBondContact O-N 3.42Å; D191-I195 VanDerWaalsContact O-CG1 3.3Å; D191-I195 WeakPolarHBondContact O-CG1 3.28Å; D191-I195 PolarHBondContact O-N 2.86Å
192	I	98.7	Very high	97.6	Very high	9 Å²	9	26 Å²	26	5%	0.046	15%	0.145	C	C	.	.	H	α-helix	trans	-63.3	-42.1	175.2	-65.3	165.2	0	0	0	111.1	G188 I189 L190 L194 I195 L196 L261 R262 W264 K265	G188-I192 VanDerWaalsContact O-CG1 3.32Å; G188-I192 WeakPolarHBondContact O-CG1 3.3Å; G188-I192 PolarHBondContact O-N 2.9Å; G188-I192 VanDerWaalsContact O-N 3.08Å; I189-I192 HydrophobicContact CD1-CD1 4.28Å; I189-I192 WeakPolarHBondContact O-CB 3.41Å; I189-I192 PolarHBondContact O-N 2.9Å; I189-I192 VanDerWaalsContact O-N 3.17Å; L190-I192 VanDerWaalsContact C-N 3.3Å; L190-I192 PolarHBondContact O-N 3.3Å; I192-L194 VanDerWaalsContact C-N 3.31Å; I192-L194 PolarHBondContact O-N 3.17Å; I192-I195 PolarHBondContact O-N 2.98Å; I192-L196 WeakPolarHBondContact O-CB 3.38Å; I192-L196 PolarHBondContact O-N 3.43Å; I192-L261 HydrophobicContact CG2-CB 4.05Å; I192-L261 HydrophobicContact CG2-CD2 4.17Å; I192-R262 HydrophobicContact CD1-CG 4.24Å; I192-W264 HydrophobicContact CG2-CE3 3.92Å; I192-W264 HydrophobicContact CG2-CZ3 4Å; I192-K265 HydrophobicContact CD1-CB 4.09Å; I192-K265 HydrophobicContact CG1-CB 3.84Å; I192-K265 HydrophobicContact CG1-CD 4.38Å; I192-K265 HydrophobicContact CG1-CG 3.95Å; I192-K265 HydrophobicContact CG2-CB 4.24Å
193	C	98.8	Very high	97.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-38.4	175.3	-67.2	0	0	0	0	112.1	I189 L190 L196 L197 V287 L291	I189-C193 PolarHBondContact O-N 2.99Å; I189-C193 PolarHBondContact O-SG 2.79Å; L190-C193 WeakPolarHBondContact O-CB 3.11Å; L190-C193 PolarHBondContact O-N 2.85Å; C193-L196 WeakPolarHBondContact O-CB 3.49Å; C193-L196 PolarHBondContact O-N 3.35Å; C193-L197 PolarHBondContact O-N 3.43Å; C193-V287 HydrophobicContact CB-CG1 4.22Å; C193-L291 HydrophobicContact CB-CD2 4.27Å
194	L	98.8	Very high	97.3	Very high	12 Å²	12	33.4 Å²	33.4	6%	0.063	18%	0.182	C	C	.	.	H	α-helix	trans	-68.9	-41.1	174.8	-66.1	179.5	0	0	0	112	I136 L190 D191 I192 L196 L197 D198 L291	I136-L194 HydrophobicContact CD1-CD1 3.88Å; I136-L194 HydrophobicContact CG1-CD1 4.17Å; I136-L194 HydrophobicContact CG2-CD1 4.11Å; L190-L194 WeakPolarHBondContact O-CG 3.38Å; L190-L194 PolarHBondContact O-N 2.85Å; D191-L194 PolarHBondContact O-N 3.42Å; I192-L194 VanDerWaalsContact C-N 3.31Å; I192-L194 PolarHBondContact O-N 3.17Å; L194-L196 VanDerWaalsContact C-N 3.29Å; L194-L196 PolarHBondContact O-N 3.49Å; L194-L197 PolarHBondContact O-N 2.96Å; L194-L197 VanDerWaalsContact O-N 3.15Å; L194-D198 PolarHBondContact O-N 2.72Å; L194-L291 HydrophobicContact CD2-CD2 4.23Å
195	I	98.2	Very high	97.1	Very high	57 Å²	57	42.3 Å²	42.3	29%	0.292	22%	0.221	S	C	.	.	H	α-helix	trans	-58.8	-42.8	173.2	-68.9	165.1	0	0	0	110.5	D191 I192 L197 D198 V199 W264 K265	D191-I195 VanDerWaalsContact O-CG1 3.3Å; D191-I195 WeakPolarHBondContact O-CG1 3.28Å; D191-I195 PolarHBondContact O-N 2.86Å; I192-I195 PolarHBondContact O-N 2.98Å; I195-L197 VanDerWaalsContact C-N 3.27Å; I195-L197 PolarHBondContact O-N 3.49Å; I195-D198 CarbonylContact O-C 3.39Å; I195-D198 PolarHBondContact O-N 2.82Å; I195-V199 HydrophobicContact CG2-CG1 4.22Å; I195-V199 WeakPolarHBondContact O-CG2 3.5Å; I195-V199 PolarHBondContact O-N 3.04Å; I195-W264 HydrophobicContact CG2-CH2 4.02Å; I195-W264 HydrophobicContact CG2-CZ3 4.07Å; I195-K265 HydrophobicContact CD1-CG 4.34Å
196	L	97.8	Very high	97.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-55.7	-42.4	176.1	-179.5	159.2	0	0	0	111.7	I192 C193 L194 V224 M227 V236 W264 V287	I192-L196 WeakPolarHBondContact O-CB 3.38Å; I192-L196 PolarHBondContact O-N 3.43Å; C193-L196 WeakPolarHBondContact O-CB 3.49Å; C193-L196 PolarHBondContact O-N 3.35Å; L194-L196 VanDerWaalsContact C-N 3.29Å; L194-L196 PolarHBondContact O-N 3.49Å; L196-V224 HydrophobicContact CD2-CG2 4.29Å; L196-M227 HydrophobicContact CD1-CB 4.42Å; L196-M227 HydrophobicContact CD2-CB 3.58Å; L196-M227 HydrophobicContact CD2-CG 3.97Å; L196-M227 HydrophobicContact CG-CB 3.93Å; L196-M227 HydrophobicContact CG-CG 4.46Å; L196-V236 HydrophobicContact CD1-CG2 3.63Å; L196-W264 HydrophobicContact CB-CH2 4.12Å; L196-W264 HydrophobicContact CB-CZ3 4.29Å; L196-V287 HydrophobicContact CD1-CG2 4.14Å
197	L	98	Very high	97.1	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-68	-36.8	173.7	-61.5	179.8	0	0	0	112	I112 C193 L194 I195 V199 N200 R214 V220 V223 V224 L291	I112-L197 HydrophobicContact CD1-CD1 4.24Å; C193-L197 PolarHBondContact O-N 3.43Å; L194-L197 PolarHBondContact O-N 2.96Å; L194-L197 VanDerWaalsContact O-N 3.15Å; I195-L197 VanDerWaalsContact C-N 3.27Å; I195-L197 PolarHBondContact O-N 3.49Å; L197-V199 VanDerWaalsContact C-N 3.34Å; L197-V199 PolarHBondContact O-N 3.02Å; L197-N200 PolarHBondContact O-N 2.87Å; L197-N200 PolarHBondContact O-ND2 3.08Å; L197-R214 VanDerWaalsContact C-NH2 3.26Å; L197-R214 PolarHBondContact O-NH2 3.17Å; L197-V220 HydrophobicContact CD2-CG1 4.4Å; L197-V223 HydrophobicContact CD2-CG1 3.84Å; L197-V224 HydrophobicContact CD2-CG2 4.15Å; L197-L291 HydrophobicContact CD1-CD1 4Å; L197-L291 HydrophobicContact CD1-CD2 4.39Å
198	D	97.3	Very high	97.1	Very high	64 Å²	64	43 Å²	43	34%	0.342	23%	0.231	S	C	.	.	H	α-helix	trans	-77.6	-15	-177.6	-69.7	-12.9	0	0	0	114.3	L194 I195 F203 R214	L194-D198 PolarHBondContact O-N 2.72Å; I195-D198 CarbonylContact O-C 3.39Å; I195-D198 PolarHBondContact O-N 2.82Å; D198-F203 HydrophobicContact CB-CE1 4.48Å; D198-F203 HydrophobicContact CB-CZ 4.34Å; D198-F203 WeakPolarHBondContact O-CD1 3.45Å; D198-F203 VanDerWaalsContact O-CE1 3.23Å; D198-F203 WeakPolarHBondContact O-CE1 3.3Å; D198-F203 WeakPolarHBondContact O-CG 3.49Å; D198-R214 IonicContact OD1-CZ 3.46Å; D198-R214 IonicContact OD1-NH1 3.08Å; D198-R214 PolarHBondContact OD1-NH1 2.92Å; D198-R214 IonicContact OD1-NH2 2.9Å; D198-R214 PolarHBondContact OD1-NH2 2.91Å
199	V	95.7	Very high	97.2	Very high	37 Å²	37	49.4 Å²	49.4	22%	0.224	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	5	175.1	-56.2	0	0	0	0	113.4	I195 L197 M227 W264	I195-V199 HydrophobicContact CG2-CG1 4.22Å; I195-V199 WeakPolarHBondContact O-CG2 3.5Å; I195-V199 PolarHBondContact O-N 3.04Å; L197-V199 VanDerWaalsContact C-N 3.34Å; L197-V199 PolarHBondContact O-N 3.02Å; V199-M227 HydrophobicContact CG2-CE 3.76Å; V199-W264 HydrophobicContact CG2-CH2 3.78Å; V199-W264 HydrophobicContact CG2-CZ2 3.85Å
200	N	94.6	Very high	97.2	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.011	25%	0.247	C	C	.	.	S	Bend	trans	-69.8	149.1	-178.6	96.9	75.1	0	0	0	112.6	L197 K202 F203 L204 D210 V223 M227	L197-N200 PolarHBondContact O-N 2.87Å; L197-N200 PolarHBondContact O-ND2 3.08Å; N200-K202 PolarHBondContact O-N 3.3Å; N200-K202 VanDerWaalsContact O-N 3.11Å; N200-K202 WeakPolarHBondContact OD1-CA 3.4Å; N200-K202 WeakPolarHBondContact OD1-CB 3.44Å; N200-K202 PolarHBondContact OD1-N 3.38Å; N200-F203 WeakPolarHBondContact ND2-CB 3.48Å; N200-F203 WeakPolarHBondContact O-CB 3.01Å; N200-F203 PolarHBondContact O-N 3.48Å; N200-F203 PolarHBondContact OD1-N 3.31Å; N200-L204 PolarHBondContact O-N 3.31Å; N200-D210 PolarHBondContact ND2-OD1 2.96Å; N200-D210 PolarHBondContact ND2-OD2 3.34Å; N200-V223 HydrophobicContact CB-CG1 3.65Å; N200-M227 VanDerWaalsContact CA-SD 3.55Å; N200-M227 HydrophobicContact CB-CG 3.73Å; N200-M227 HydrophobicContact CB-SD 3.72Å
201	P	92.9	Very high	97.2	Very high	58 Å²	58	49.1 Å²	49.1	38%	0.377	25%	0.245	S	C	.	.	H	α-helix	trans	-55.7	-33.2	-177.1	-29.2	35.7	0	0	0	115.2	K205 D233	P201-K205 WeakPolarHBondContact O-CB 3.36Å; P201-K205 PolarHBondContact O-N 2.85Å; P201-D233 WeakPolarHBondContact CD-OD2 3.5Å; P201-D233 HydrophobicContact CG-CB 3.61Å; P201-D233 WeakPolarHBondContact CG-OD2 3.08Å
202	K	94.3	Very high	97.2	Very high	88 Å²	88	47.5 Å²	47.5	38%	0.383	24%	0.239	S	C	.	.	H	α-helix	trans	-72.1	-35.9	178.8	-53.6	-177.9	-170	-66	0	111.4	N200 K205 N206 Y219 V223	N200-K202 PolarHBondContact O-N 3.3Å; N200-K202 VanDerWaalsContact O-N 3.11Å; N200-K202 WeakPolarHBondContact OD1-CA 3.4Å; N200-K202 WeakPolarHBondContact OD1-CB 3.44Å; N200-K202 PolarHBondContact OD1-N 3.38Å; K202-K205 PolarHBondContact O-N 3.27Å; K202-N206 PolarHBondContact O-N 2.92Å; K202-Y219 VanDerWaalsContact CB-OH 3.27Å; K202-Y219 WeakPolarHBondContact CB-OH 2.97Å; K202-Y219 HydrophobicContact CD-CE2 3.63Å; K202-Y219 VanDerWaalsContact CD-OH 3.26Å; K202-Y219 WeakPolarHBondContact CD-OH 3.23Å; K202-V223 HydrophobicContact CD-CG2 4.18Å
203	F	96.6	Very high	97.2	Very high	35 Å²	35	52 Å²	52	15%	0.154	26%	0.255	C	S	.	.	H	α-helix	trans	-65.1	-48.4	171	-176.4	-85.5	0	0	0	111.5	P65 D198 N200 K205 N206 A207 D210	P65-F203 HydrophobicContact CG-CE2 4.29Å; P65-F203 HydrophobicContact CG-CZ 3.98Å; D198-F203 HydrophobicContact CB-CE1 4.48Å; D198-F203 HydrophobicContact CB-CZ 4.34Å; D198-F203 WeakPolarHBondContact O-CD1 3.45Å; D198-F203 VanDerWaalsContact O-CE1 3.23Å; D198-F203 WeakPolarHBondContact O-CE1 3.3Å; D198-F203 WeakPolarHBondContact O-CG 3.49Å; N200-F203 WeakPolarHBondContact ND2-CB 3.48Å; N200-F203 WeakPolarHBondContact O-CB 3.01Å; N200-F203 PolarHBondContact O-N 3.48Å; N200-F203 PolarHBondContact OD1-N 3.31Å; F203-K205 PolarHBondContact O-N 3.46Å; F203-N206 CarbonylContact O-C 3.52Å; F203-N206 VanDerWaalsContact O-C 3.27Å; F203-N206 PolarHBondContact O-N 2.92Å; F203-A207 HydrophobicContact CD1-CB 4.06Å; F203-A207 HydrophobicContact CD2-CB 3.85Å; F203-A207 HydrophobicContact CE1-CB 3.85Å; F203-A207 HydrophobicContact CE2-CB 3.65Å; F203-A207 HydrophobicContact CG-CB 4.09Å; F203-A207 HydrophobicContact CZ-CB 3.66Å; F203-A207 VanDerWaalsContact O-CA 3.29Å; F203-A207 WeakPolarHBondContact O-CA 3.06Å; F203-A207 PolarHBondContact O-N 3.01Å; F203-D210 HydrophobicContact CB-CB 4.01Å; F203-D210 HydrophobicContact CD2-CB 4.17Å
204	L	94.9	Very high	97.2	Very high	124 Å²	124	52.5 Å²	52.5	65%	0.649	26%	0.257	S	S	*	.	H	α-helix	trans	-59.6	-34	178.2	-62.3	179.7	0	0	0	112.1	N200	N200-L204 PolarHBondContact O-N 3.31Å
205	K	95.8	Very high	97.2	Very high	188 Å²	188	53.8 Å²	53.8	82%	0.817	27%	0.267	S	S	*	.	H	α-helix	trans	-74	-43.7	175.9	-174.6	172.8	-177	172.4	0	113	P201 K202 F203	P201-K205 WeakPolarHBondContact O-CB 3.36Å; P201-K205 PolarHBondContact O-N 2.85Å; K202-K205 PolarHBondContact O-N 3.27Å; F203-K205 PolarHBondContact O-N 3.46Å
206	N	97.8	Very high	97.2	Very high	86 Å²	86	53 Å²	53	46%	0.46	27%	0.266	S	S	.	.			trans	-157.9	93.6	177.1	-172.2	-37.3	0	0	0	110.8	K202 F203 G208 R209 D210	K202-N206 PolarHBondContact O-N 2.92Å; F203-N206 CarbonylContact O-C 3.52Å; F203-N206 VanDerWaalsContact O-C 3.27Å; F203-N206 PolarHBondContact O-N 2.92Å; N206-G208 PolarHBondContact O-N 2.89Å; N206-G208 PolarHBondContact OD1-N 3.16Å; N206-R209 HydrophobicContact CB-CB 4.11Å; N206-R209 PolarHBondContact O-N 3.44Å; N206-R209 WeakPolarHBondContact OD1-CB 3.45Å; N206-R209 PolarHBondContact OD1-N 2.66Å; N206-D210 PolarHBondContact O-N 3.27Å
207	A	98	Very high	97.2	Very high	22 Å²	22	53.2 Å²	53.2	18%	0.182	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-41.6	-174.4	0	0	0	0	0	113.4	P65 F203 R209 D210 C211	P65-A207 HydrophobicContact CG-CB 3.48Å; P65-A207 VanDerWaalsContact CG-CB 3.48Å; F203-A207 HydrophobicContact CD1-CB 4.06Å; F203-A207 HydrophobicContact CD2-CB 3.85Å; F203-A207 HydrophobicContact CE1-CB 3.85Å; F203-A207 HydrophobicContact CE2-CB 3.65Å; F203-A207 HydrophobicContact CG-CB 4.09Å; F203-A207 HydrophobicContact CZ-CB 3.66Å; F203-A207 VanDerWaalsContact O-CA 3.29Å; F203-A207 WeakPolarHBondContact O-CA 3.06Å; F203-A207 PolarHBondContact O-N 3.01Å; A207-R209 PolarHBondContact O-N 2.95Å; A207-D210 PolarHBondContact O-N 3.02Å; A207-C211 WeakPolarHBondContact O-CB 3.35Å; A207-C211 PolarHBondContact O-N 3.08Å; A207-C211 PolarHBondContact O-SG 2.76Å
208	G	98.3	Very high	97.3	Very high	14 Å²	14	53.5 Å²	53.5	14%	0.144	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-42.9	178.6	0	0	0	0	0	112.4	N206 S212	N206-G208 PolarHBondContact O-N 2.89Å; N206-G208 PolarHBondContact OD1-N 3.16Å; G208-S212 WeakPolarHBondContact O-CB 3.4Å; G208-S212 PolarHBondContact O-N 3.23Å; G208-S212 VanDerWaalsContact O-N 3.11Å
209	R	98.4	Very high	97.3	Very high	165 Å²	165	51.1 Å²	51.1	62%	0.623	26%	0.256	S	S	*	.	H	α-helix	trans	-69.2	-39.7	176.8	-171.9	178	-176.4	-176.8	1.2	112.1	N206 A207 R213	N206-R209 HydrophobicContact CB-CB 4.11Å; N206-R209 PolarHBondContact O-N 3.44Å; N206-R209 WeakPolarHBondContact OD1-CB 3.45Å; N206-R209 PolarHBondContact OD1-N 2.66Å; A207-R209 PolarHBondContact O-N 2.95Å; R209-R213 WeakPolarHBondContact O-CG 3.39Å; R209-R213 PolarHBondContact O-N 2.85Å; R209-R213 VanDerWaalsContact O-N 3.13Å
210	D	98.6	Very high	97.5	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.011	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-55	175.8	-178.7	83.7	0	0	0	110.8	N200 F203 N206 A207 S212 R213 R214 Y219	N200-D210 PolarHBondContact ND2-OD1 2.96Å; N200-D210 PolarHBondContact ND2-OD2 3.34Å; F203-D210 HydrophobicContact CB-CB 4.01Å; F203-D210 HydrophobicContact CD2-CB 4.17Å; N206-D210 PolarHBondContact O-N 3.27Å; A207-D210 PolarHBondContact O-N 3.02Å; D210-S212 VanDerWaalsContact C-N 3.29Å; D210-S212 PolarHBondContact O-N 3.43Å; D210-R213 PolarHBondContact O-N 2.93Å; D210-R214 WeakPolarHBondContact O-CG 3.08Å; D210-R214 PolarHBondContact O-N 3.24Å; D210-R214 VanDerWaalsContact O-N 3.15Å; D210-R214 IonicContact OD2-CZ 3.29Å; D210-R214 VanDerWaalsContact OD2-CZ 3.25Å; D210-R214 IonicContact OD2-NE 3.83Å; D210-R214 PolarHBondContact OD2-NE 2.85Å; D210-R214 IonicContact OD2-NH2 2.7Å; D210-R214 PolarHBondContact OD2-NH2 3.22Å; D210-Y219 WeakPolarHBondContact OD1-CE1 3.34Å; D210-Y219 PolarHBondContact OD1-OH 2.9Å
211	C	98.8	Very high	97.6	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.027	25%	0.245	C	C	.	.	H	α-helix	trans	-55.6	-41.8	178.5	-67.4	0	0	0	0	112.4	T73 P111 A207 R213 R214	T73-C211 HydrophobicContact CG2-CB 4.04Å; P111-C211 WeakPolarHBondContact CB-O 3.42Å; A207-C211 WeakPolarHBondContact O-CB 3.35Å; A207-C211 PolarHBondContact O-N 3.08Å; A207-C211 PolarHBondContact O-SG 2.76Å; C211-R213 VanDerWaalsContact C-N 3.34Å; C211-R213 PolarHBondContact O-N 3.17Å; C211-R214 WeakPolarHBondContact O-CB 3.3Å; C211-R214 PolarHBondContact O-N 3.02Å
212	S	98.7	Very high	97.8	Very high	29 Å²	29	47.4 Å²	47.4	20%	0.203	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-42	175.6	178.8	0	0	0	0	112.9	A71 G208 D210 R214 S215	A71-S212 WeakPolarHBondContact O-CB 3.47Å; A71-S212 PolarHBondContact O-OG 2.76Å; G208-S212 WeakPolarHBondContact O-CB 3.4Å; G208-S212 PolarHBondContact O-N 3.23Å; G208-S212 VanDerWaalsContact O-N 3.11Å; D210-S212 VanDerWaalsContact C-N 3.29Å; D210-S212 PolarHBondContact O-N 3.43Å; S212-R214 VanDerWaalsContact C-N 3.27Å; S212-R214 PolarHBondContact O-N 2.96Å; S212-S215 PolarHBondContact O-OG 3.02Å
213	R	98.6	Very high	97.9	Very high	103 Å²	103	43.6 Å²	43.6	39%	0.389	22%	0.215	S	C	.	.	H	α-helix	trans	-75.7	-11.4	-179.3	-69.5	-175.2	72.7	-177	2.8	113.9	R209 D210 C211 S215 S216 Y219	R209-R213 WeakPolarHBondContact O-CG 3.39Å; R209-R213 PolarHBondContact O-N 2.85Å; R209-R213 VanDerWaalsContact O-N 3.13Å; D210-R213 PolarHBondContact O-N 2.93Å; C211-R213 VanDerWaalsContact C-N 3.34Å; C211-R213 PolarHBondContact O-N 3.17Å; R213-S215 PolarHBondContact O-N 2.88Å; R213-S215 VanDerWaalsContact O-N 3.08Å; R213-S216 PolarHBondContact O-N 2.86Å; R213-Y219 HydrophobicContact CB-CD1 3.64Å; R213-Y219 HydrophobicContact CB-CD2 4Å; R213-Y219 HydrophobicContact CB-CE1 3.72Å; R213-Y219 HydrophobicContact CB-CE2 4.05Å; R213-Y219 HydrophobicContact CB-CG 3.78Å; R213-Y219 VanDerWaalsContact CZ-CE2 3.46Å; R213-Y219 WeakPolarHBondContact O-CB 3.25Å; R213-Y219 WeakPolarHBondContact O-CD1 3.36Å
214	R	98.8	Very high	97.9	Very high	11 Å²	11	42 Å²	42	4%	0.042	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-4.4	172.8	-64.1	-179.3	-168.5	-174.7	3.6	113.4	I112 L197 D198 D210 C211 S212 S216 V220	I112-R214 HydrophobicContact CG1-CB 4.07Å; I112-R214 WeakPolarHBondContact CG1-O 3.22Å; I112-R214 PolarHBondContact N-O 3.47Å; L197-R214 VanDerWaalsContact C-NH2 3.26Å; L197-R214 PolarHBondContact O-NH2 3.17Å; D198-R214 IonicContact OD1-CZ 3.46Å; D198-R214 IonicContact OD1-NH1 3.08Å; D198-R214 PolarHBondContact OD1-NH1 2.92Å; D198-R214 IonicContact OD1-NH2 2.9Å; D198-R214 PolarHBondContact OD1-NH2 2.91Å; D210-R214 WeakPolarHBondContact O-CG 3.08Å; D210-R214 PolarHBondContact O-N 3.24Å; D210-R214 VanDerWaalsContact O-N 3.15Å; D210-R214 IonicContact OD2-CZ 3.29Å; D210-R214 VanDerWaalsContact OD2-CZ 3.25Å; D210-R214 IonicContact OD2-NE 3.83Å; D210-R214 PolarHBondContact OD2-NE 2.85Å; D210-R214 IonicContact OD2-NH2 2.7Å; D210-R214 PolarHBondContact OD2-NH2 3.22Å; C211-R214 WeakPolarHBondContact O-CB 3.3Å; C211-R214 PolarHBondContact O-N 3.02Å; S212-R214 VanDerWaalsContact C-N 3.27Å; S212-R214 PolarHBondContact O-N 2.96Å; R214-S216 PolarHBondContact O-N 2.77Å; R214-V220 HydrophobicContact CB-CG2 4.21Å; R214-V220 HydrophobicContact CG-CG2 4.44Å
215	S	98.6	Very high	97.9	Very high	39 Å²	39	36.2 Å²	36.2	27%	0.273	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.9	166	53.1	0	0	0	0	113.5	R35 N109 S212 R213	R35-S215 PolarHBondContact NH1-O 3.24Å; N109-S215 WeakPolarHBondContact O-CB 3.37Å; S212-S215 PolarHBondContact O-OG 3.02Å; R213-S215 PolarHBondContact O-N 2.88Å; R213-S215 VanDerWaalsContact O-N 3.08Å
216	S	98.8	Very high	97.7	Very high	40 Å²	40	27.6 Å²	27.6	28%	0.28	14%	0.142	S	C	.	.			trans	-98.8	124.2	-176.2	177.4	0	0	0	0	111.6	R213 R214 V218 Y219 V220	R213-S216 PolarHBondContact O-N 2.86Å; R214-S216 PolarHBondContact O-N 2.77Å; S216-V218 PolarHBondContact O-N 3.29Å; S216-V218 PolarHBondContact OG-N 3.26Å; S216-Y219 PolarHBondContact O-N 2.89Å; S216-V220 PolarHBondContact O-N 3.33Å; S216-V220 VanDerWaalsContact O-N 3.09Å
217	P	98.8	Very high	97.5	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.032	12%	0.121	C	C	.	.	H	α-helix	trans	-64.9	-29.7	175.1	28.3	-34.9	0	0	0	112	F139 A147 V148 Y219 V220 G221 I293 M342	F139-P217 HydrophobicContact CD1-CB 4.44Å; F139-P217 HydrophobicContact CE1-CB 3.92Å; F139-P217 HydrophobicContact CE1-CG 4.36Å; F139-P217 HydrophobicContact CZ-CB 4.13Å; A147-P217 HydrophobicContact CB-CG 3.87Å; V148-P217 HydrophobicContact CG1-CB 3.57Å; V148-P217 HydrophobicContact CG1-CG 3.82Å; P217-Y219 VanDerWaalsContact C-N 3.34Å; P217-Y219 PolarHBondContact O-N 2.98Å; P217-V220 PolarHBondContact O-N 3.45Å; P217-G221 PolarHBondContact O-N 2.89Å; P217-I293 HydrophobicContact CB-CD1 3.96Å; P217-I293 HydrophobicContact CB-CG1 4.37Å; P217-M342 HydrophobicContact CB-CB 4.11Å; P217-M342 HydrophobicContact CB-CE 4.1Å; P217-M342 HydrophobicContact CB-SD 3.84Å; P217-M342 HydrophobicContact CG-CB 3.73Å; P217-M342 HydrophobicContact CG-CG 4.36Å; P217-M342 HydrophobicContact CG-SD 3.97Å
218	V	98.6	Very high	97.3	Very high	7 Å²	7	22.5 Å²	22.5	4%	0.042	11%	0.112	C	C	.	.	H	α-helix	trans	-59.5	-46.1	173.6	174.4	0	0	0	0	110.6	S216 R222 M342 P373 Y388	S216-V218 PolarHBondContact O-N 3.29Å; S216-V218 PolarHBondContact OG-N 3.26Å; V218-R222 WeakPolarHBondContact O-CB 3.44Å; V218-R222 PolarHBondContact O-N 2.9Å; V218-R222 VanDerWaalsContact O-N 3.15Å; V218-M342 HydrophobicContact CB-SD 4.29Å; V218-M342 HydrophobicContact CG2-CG 4.44Å; V218-M342 HydrophobicContact CG2-SD 3.62Å; V218-M342 PolarHBondContact N-SD 2.54Å; V218-M342 VanDerWaalsContact N-SD 3.45Å; V218-P373 HydrophobicContact CB-CG 4.28Å; V218-P373 HydrophobicContact CG1-CG 3.66Å; V218-Y388 HydrophobicContact CG1-CE2 3.92Å
219	Y	98.5	Very high	96.7	Very high	14 Å²	14	22 Å²	22	6%	0.055	11%	0.106	C	C	.	.	H	α-helix	trans	-66.8	-48.3	179.2	-178.5	-101.5	0	0	0	111.8	K202 D210 R213 S216 P217 R222 V223	K202-Y219 VanDerWaalsContact CB-OH 3.27Å; K202-Y219 WeakPolarHBondContact CB-OH 2.97Å; K202-Y219 HydrophobicContact CD-CE2 3.63Å; K202-Y219 VanDerWaalsContact CD-OH 3.26Å; K202-Y219 WeakPolarHBondContact CD-OH 3.23Å; D210-Y219 WeakPolarHBondContact OD1-CE1 3.34Å; D210-Y219 PolarHBondContact OD1-OH 2.9Å; R213-Y219 HydrophobicContact CB-CD1 3.64Å; R213-Y219 HydrophobicContact CB-CD2 4Å; R213-Y219 HydrophobicContact CB-CE1 3.72Å; R213-Y219 HydrophobicContact CB-CE2 4.05Å; R213-Y219 HydrophobicContact CB-CG 3.78Å; R213-Y219 VanDerWaalsContact CZ-CE2 3.46Å; R213-Y219 WeakPolarHBondContact O-CB 3.25Å; R213-Y219 WeakPolarHBondContact O-CD1 3.36Å; S216-Y219 PolarHBondContact O-N 2.89Å; P217-Y219 VanDerWaalsContact C-N 3.34Å; P217-Y219 PolarHBondContact O-N 2.98Å; Y219-R222 PolarHBondContact O-N 2.99Å; Y219-V223 HydrophobicContact CD1-CG2 4.24Å; Y219-V223 HydrophobicContact CE1-CG2 3.83Å; Y219-V223 HydrophobicContact CE2-CG2 4.33Å; Y219-V223 WeakPolarHBondContact O-CG2 3.27Å; Y219-V223 PolarHBondContact O-N 3.23Å
220	V	98.8	Very high	95.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.1	-45.4	179.7	174.2	0	0	0	0	110.7	I112 F139 L197 R214 S216 P217 R222 V223 V224 L291 I293	I112-V220 HydrophobicContact CD1-CG1 4.41Å; I112-V220 HydrophobicContact CD1-CG2 4.3Å; I112-V220 HydrophobicContact CG1-CG2 4.41Å; F139-V220 HydrophobicContact CE2-CB 4.18Å; F139-V220 HydrophobicContact CE2-CG1 4.23Å; F139-V220 HydrophobicContact CE2-CG2 3.97Å; F139-V220 HydrophobicContact CZ-CB 4.35Å; F139-V220 HydrophobicContact CZ-CG2 3.95Å; L197-V220 HydrophobicContact CD2-CG1 4.4Å; R214-V220 HydrophobicContact CB-CG2 4.21Å; R214-V220 HydrophobicContact CG-CG2 4.44Å; S216-V220 PolarHBondContact O-N 3.33Å; S216-V220 VanDerWaalsContact O-N 3.09Å; P217-V220 PolarHBondContact O-N 3.45Å; V220-R222 VanDerWaalsContact C-N 3.32Å; V220-R222 PolarHBondContact O-N 2.95Å; V220-V223 PolarHBondContact O-N 2.82Å; V220-V224 HydrophobicContact CG1-CG2 4.29Å; V220-V224 WeakPolarHBondContact O-CG2 3.27Å; V220-V224 PolarHBondContact O-N 3.17Å; V220-L291 HydrophobicContact CG1-CD1 3.72Å; V220-I293 HydrophobicContact CB-CD1 4.22Å; V220-I293 HydrophobicContact CG1-CD1 4.02Å
221	G	98	Very high	94.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-55.7	-44.9	175.8	0	0	0	0	0	112.8	P217 V224 S225	P217-G221 PolarHBondContact O-N 2.89Å; G221-V224 PolarHBondContact O-N 2.92Å; G221-S225 WeakPolarHBondContact O-CB 3.28Å; G221-S225 PolarHBondContact O-N 2.84Å
222	R	95.6	Very high	92.3	Very high	19 Å²	19	20.6 Å²	20.6	7%	0.072	11%	0.111	C	C	.	.	H	α-helix	trans	-69.9	-36.7	178.9	-163.2	164.7	174.1	89.5	-7.4	113	V218 Y219 V220 G226 S365 G372 Y388 D389	V218-R222 WeakPolarHBondContact O-CB 3.44Å; V218-R222 PolarHBondContact O-N 2.9Å; V218-R222 VanDerWaalsContact O-N 3.15Å; Y219-R222 PolarHBondContact O-N 2.99Å; V220-R222 VanDerWaalsContact C-N 3.32Å; V220-R222 PolarHBondContact O-N 2.95Å; R222-G226 PolarHBondContact O-N 2.91Å; R222-S365 VanDerWaalsContact NH2-CB 3.35Å; R222-S365 PolarHBondContact NH2-OG 2.87Å; R222-G372 PolarHBondContact NH1-O 2.94Å; R222-Y388 VanDerWaalsContact NH1-CB 3.31Å; R222-D389 IonicContact CZ-OD2 2.73Å; R222-D389 IonicContact NH1-OD2 2.73Å; R222-D389 PolarHBondContact NH1-OD2 2.92Å; R222-D389 IonicContact NH2-OD2 2.96Å
223	V	96.3	Very high	90.8	Very high	9 Å²	9	21 Å²	21	6%	0.055	11%	0.11	C	C	.	.	H	α-helix	trans	-63.8	-46	172.8	168.3	0	0	0	0	110.7	L197 N200 K202 Y219 V220 G226 M227	L197-V223 HydrophobicContact CD2-CG1 3.84Å; N200-V223 HydrophobicContact CB-CG1 3.65Å; K202-V223 HydrophobicContact CD-CG2 4.18Å; Y219-V223 HydrophobicContact CD1-CG2 4.24Å; Y219-V223 HydrophobicContact CE1-CG2 3.83Å; Y219-V223 HydrophobicContact CE2-CG2 4.33Å; Y219-V223 WeakPolarHBondContact O-CG2 3.27Å; Y219-V223 PolarHBondContact O-N 3.23Å; V220-V223 PolarHBondContact O-N 2.82Å; V223-G226 PolarHBondContact O-N 3Å; V223-M227 HydrophobicContact CG1-CG 4.21Å; V223-M227 WeakPolarHBondContact O-CB 3.46Å; V223-M227 WeakPolarHBondContact O-CG 3.28Å; V223-M227 PolarHBondContact O-N 2.75Å
224	V	97.2	Very high	89.7	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.9	-44	179.4	173.4	0	0	0	0	111.2	L196 L197 V220 G221 G226 M227 V228 A284 V287 L288 L291	L196-V224 HydrophobicContact CD2-CG2 4.29Å; L197-V224 HydrophobicContact CD2-CG2 4.15Å; V220-V224 HydrophobicContact CG1-CG2 4.29Å; V220-V224 WeakPolarHBondContact O-CG2 3.27Å; V220-V224 PolarHBondContact O-N 3.17Å; G221-V224 PolarHBondContact O-N 2.92Å; V224-G226 VanDerWaalsContact C-N 3.3Å; V224-G226 PolarHBondContact O-N 2.88Å; V224-M227 PolarHBondContact O-N 2.82Å; V224-V228 HydrophobicContact CG1-CG2 4.09Å; V224-V228 VanDerWaalsContact O-CG2 3.27Å; V224-V228 WeakPolarHBondContact O-CG2 3.29Å; V224-V228 PolarHBondContact O-N 3.1Å; V224-A284 HydrophobicContact CG1-CB 4.42Å; V224-V287 HydrophobicContact CB-CG1 4.45Å; V224-V287 HydrophobicContact CG1-CB 3.94Å; V224-V287 HydrophobicContact CG1-CG1 3.81Å; V224-V287 HydrophobicContact CG2-CG1 3.7Å; V224-L288 HydrophobicContact CB-CD2 4.11Å; V224-L288 HydrophobicContact CG1-CD2 4.26Å; V224-L288 HydrophobicContact CG1-CG 4.12Å; V224-L288 HydrophobicContact CG2-CD2 4.12Å; V224-L291 HydrophobicContact CG2-CD1 4.41Å
225	S	94.1	Very high	89	Confident	3 Å²	3	20.4 Å²	20.4	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-54.7	-45.7	176	169.6	0	0	0	0	111.8	G221 N229 D358 C371	G221-S225 WeakPolarHBondContact O-CB 3.28Å; G221-S225 PolarHBondContact O-N 2.84Å; S225-N229 PolarHBondContact O-ND2 2.83Å; S225-D358 PolarHBondContact OG-O 3Å; S225-D358 VanDerWaalsContact OG-O 3.08Å; S225-C371 PolarHBondContact OG-O 2.75Å
226	G	91.9	Very high	88.9	Confident	7 Å²	7	18.5 Å²	18.5	7%	0.072	10%	0.099	C	C	.	.	H	α-helix	trans	-66.8	-44.6	175.4	0	0	0	0	0	113.5	R222 V223 V224 V228 N229	R222-G226 PolarHBondContact O-N 2.91Å; V223-G226 PolarHBondContact O-N 3Å; V224-G226 VanDerWaalsContact C-N 3.3Å; V224-G226 PolarHBondContact O-N 2.88Å; G226-V228 VanDerWaalsContact C-N 3.31Å; G226-V228 PolarHBondContact O-N 3.17Å; G226-N229 PolarHBondContact O-ND2 3.02Å
227	M	94.6	Very high	88.7	Confident	2 Å²	2	16.6 Å²	16.6	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-72.8	-18.1	-175.5	-77.2	-58.9	-57.8	0	0	114.6	L196 V199 N200 V223 V224 G235 V236	L196-M227 HydrophobicContact CD1-CB 4.42Å; L196-M227 HydrophobicContact CD2-CB 3.58Å; L196-M227 HydrophobicContact CD2-CG 3.97Å; L196-M227 HydrophobicContact CG-CB 3.93Å; L196-M227 HydrophobicContact CG-CG 4.46Å; V199-M227 HydrophobicContact CG2-CE 3.76Å; N200-M227 VanDerWaalsContact CA-SD 3.55Å; N200-M227 HydrophobicContact CB-CG 3.73Å; N200-M227 HydrophobicContact CB-SD 3.72Å; V223-M227 HydrophobicContact CG1-CG 4.21Å; V223-M227 WeakPolarHBondContact O-CB 3.46Å; V223-M227 WeakPolarHBondContact O-CG 3.28Å; V223-M227 PolarHBondContact O-N 2.75Å; V224-M227 PolarHBondContact O-N 2.82Å; M227-G235 CarbonylContact O-C 3.46Å; M227-G235 WeakPolarHBondContact O-CA 3.49Å; M227-V236 PolarHBondContact O-N 3.46Å
228	V	92.6	Very high	88.5	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-72.8	-35.6	179.6	162.2	0	0	0	0	111.6	V224 G226 L237 F280 V283 A284 P359	V224-V228 HydrophobicContact CG1-CG2 4.09Å; V224-V228 VanDerWaalsContact O-CG2 3.27Å; V224-V228 WeakPolarHBondContact O-CG2 3.29Å; V224-V228 PolarHBondContact O-N 3.1Å; G226-V228 VanDerWaalsContact C-N 3.31Å; G226-V228 PolarHBondContact O-N 3.17Å; V228-L237 PolarHBondContact O-N 3.1Å; V228-F280 HydrophobicContact CG1-CB 3.82Å; V228-F280 HydrophobicContact CG1-CD1 3.86Å; V228-F280 HydrophobicContact CG1-CG 4.33Å; V228-F280 WeakPolarHBondContact CG1-O 3.3Å; V228-V283 HydrophobicContact CG1-CB 4.43Å; V228-V283 HydrophobicContact CG2-CG1 4.17Å; V228-A284 HydrophobicContact CG2-CB 4.03Å; V228-P359 HydrophobicContact CB-CB 4.05Å; V228-P359 HydrophobicContact CG1-CB 3.91Å
229	N	86.2	Confident	88.2	Confident	3 Å²	3	19 Å²	19	2%	0.016	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-97	159.1	171.1	78.8	82.2	0	0	0	110.8	S225 G226 N231 G235 F280 P359 P361 Y369	S225-N229 PolarHBondContact O-ND2 2.83Å; G226-N229 PolarHBondContact O-ND2 3.02Å; N229-N231 PolarHBondContact OD1-N 3.19Å; N229-G235 WeakPolarHBondContact O-CA 3.49Å; N229-F280 HydrophobicContact CB-CD1 4.34Å; N229-F280 HydrophobicContact CB-CE1 4.11Å; N229-P359 WeakPolarHBondContact CB-O 3.13Å; N229-P359 PolarHBondContact ND2-O 3.03Å; N229-P359 VanDerWaalsContact ND2-O 3.1Å; N229-P361 HydrophobicContact CB-CB 4.15Å; N229-P361 HydrophobicContact CB-CG 3.95Å; N229-Y369 PolarHBondContact ND2-O 3.37Å
230	C	75.4	Confident	87.9	Confident	3 Å²	3	21.3 Å²	21.3	2%	0.02	11%	0.111	C	C	.	.			trans	-110.8	14.6	-168.4	74.4	0	0	0	0	115.3	D232 L237 L238 R271	C230-D232 VanDerWaalsContact C-N 3.27Å; C230-D232 PolarHBondContact O-N 2.99Å; C230-L237 VanDerWaalsContact CB-O 3.31Å; C230-L237 WeakPolarHBondContact CB-O 3.29Å; C230-L237 PolarHBondContact N-O 3.34Å; C230-L237 PolarHBondContact SG-O 3.33Å; C230-L238 WeakPolarHBondContact SG-CD1 3.44Å; C230-R271 HydrophobicContact CB-CB 4.29Å; C230-R271 HydrophobicContact CB-CG 3.49Å; C230-R271 VanDerWaalsContact CB-CG 3.49Å; C230-R271 WeakPolarHBondContact SG-CD 3.47Å
231	N	66.2	Low	87.6	Confident	74 Å²	74	24.2 Å²	24.2	40%	0.396	12%	0.122	S	C	.	.	S	Bend	trans	-72.7	-21.7	-167.1	-81.1	1.9	0	0	0	113.2	N229 P361 Y369	N229-N231 PolarHBondContact OD1-N 3.19Å; N231-P361 HydrophobicContact CB-CB 4.32Å; N231-P361 WeakPolarHBondContact ND2-CB 3.49Å; N231-P361 WeakPolarHBondContact ND2-CG 3.42Å; N231-Y369 HydrophobicContact CB-CD2 3.39Å; N231-Y369 HydrophobicContact CB-CE2 3.85Å; N231-Y369 HydrophobicContact CB-CG 4.04Å
232	D	62.2	Low	87.1	Confident	65 Å²	65	28.4 Å²	28.4	35%	0.348	15%	0.145	S	C	.	.	S	Bend	trans	-120.4	-4.7	-178.6	-61.8	-51.3	0	0	0	114.6	C230 K364 T368 Y369	C230-D232 VanDerWaalsContact C-N 3.27Å; C230-D232 PolarHBondContact O-N 2.99Å; D232-K364 IonicContact OD1-NZ 3.15Å; D232-K364 PolarHBondContact OD1-NZ 2.93Å; D232-T368 HydrophobicContact CB-CG2 4.48Å; D232-T368 WeakPolarHBondContact OD2-CA 3.31Å; D232-Y369 WeakPolarHBondContact OD2-CB 3.33Å; D232-Y369 WeakPolarHBondContact OD2-CD2 3.32Å; D232-Y369 PolarHBondContact OD2-N 2.97Å
233	D	65.8	Low	86.8	Confident	36 Å²	36	30.8 Å²	30.8	19%	0.193	16%	0.159	C	C	.	.	S	Bend	trans	-163.1	-153.9	-169.1	61.3	28.1	0	0	0	116.3	P201 G235	P201-D233 WeakPolarHBondContact CD-OD2 3.5Å; P201-D233 HydrophobicContact CG-CB 3.61Å; P201-D233 WeakPolarHBondContact CG-OD2 3.08Å; D233-G235 PolarHBondContact O-N 3.16Å; D233-G235 WeakPolarHBondContact OD1-CA 3.47Å; D233-G235 PolarHBondContact OD1-N 3.04Å
234	Q	77.1	Confident	86.6	Confident	102 Å²	102	34.8 Å²	34.8	48%	0.477	18%	0.18	S	C	.	.	S	Bend	trans	-80.3	30	175	-65.7	-70.8	-48.7	0	0	113	W264 C269	Q234-W264 PolarHBondContact O-NE1 3.27Å; Q234-C269 PolarHBondContact OE1-O 3.25Å
235	G	83.9	Confident	86.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.			trans	-61.5	162.7	-174.4	0	0	0	0	0	115.4	M227 N229 D233	M227-G235 CarbonylContact O-C 3.46Å; M227-G235 WeakPolarHBondContact O-CA 3.49Å; N229-G235 WeakPolarHBondContact O-CA 3.49Å; D233-G235 PolarHBondContact O-N 3.16Å; D233-G235 WeakPolarHBondContact OD1-CA 3.47Å; D233-G235 PolarHBondContact OD1-N 3.04Å
236	V	95.3	Very high	86.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-70	-47.7	-166.4	-177.8	0	0	0	0	112.7	L196 M227 I260 L261 W264 V272 V283	L196-V236 HydrophobicContact CD1-CG2 3.63Å; M227-V236 PolarHBondContact O-N 3.46Å; V236-I260 HydrophobicContact CG1-CG2 3.87Å; V236-L261 HydrophobicContact CG1-CD2 4.25Å; V236-W264 HydrophobicContact CB-CG 4.44Å; V236-W264 HydrophobicContact CG1-CB 4.05Å; V236-W264 HydrophobicContact CG1-CG 4.09Å; V236-W264 HydrophobicContact CG2-CD2 4.25Å; V236-W264 HydrophobicContact CG2-CG 4.4Å; V236-V272 PolarHBondContact O-N 2.81Å; V236-V283 HydrophobicContact CG1-CG1 4.36Å
237	L	95.8	Very high	86.6	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.5	-169.6	-79.5	160	0	0	0	112.5	V228 C230 I260 V272 V279 F280 V283	V228-L237 PolarHBondContact O-N 3.1Å; C230-L237 VanDerWaalsContact CB-O 3.31Å; C230-L237 WeakPolarHBondContact CB-O 3.29Å; C230-L237 PolarHBondContact N-O 3.34Å; C230-L237 PolarHBondContact SG-O 3.33Å; L237-I260 HydrophobicContact CD1-CG2 4.21Å; L237-I260 HydrophobicContact CD2-CD1 4.45Å; L237-I260 HydrophobicContact CD2-CG2 3.68Å; L237-I260 HydrophobicContact CG-CG2 3.87Å; L237-V272 WeakPolarHBondContact CA-O 3.36Å; L237-V272 HydrophobicContact CD2-CB 4.09Å; L237-V272 HydrophobicContact CD2-CG1 4.23Å; L237-V279 HydrophobicContact CD1-CB 4.39Å; L237-V279 HydrophobicContact CD1-CG1 3.67Å; L237-V279 HydrophobicContact CD2-CG1 4.24Å; L237-F280 HydrophobicContact CB-CD1 3.81Å; L237-F280 HydrophobicContact CB-CE1 3.41Å; L237-F280 VanDerWaalsContact CB-CE1 3.41Å; L237-F280 HydrophobicContact CB-CZ 4.46Å; L237-F280 HydrophobicContact CD1-CD1 3.82Å; L237-F280 HydrophobicContact CD1-CE1 4.22Å; L237-F280 HydrophobicContact CG-CD1 4.5Å; L237-F280 HydrophobicContact CG-CE1 4.46Å; L237-V283 HydrophobicContact CD1-CB 4.42Å; L237-V283 HydrophobicContact CD1-CG2 3.93Å
238	L	94.6	Very high	86.7	Confident	43 Å²	43	44.4 Å²	44.4	23%	0.225	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	121.7	168	-179.4	59.9	0	0	0	110.6	C230 R271 V272 K273 Y274 G275	C230-L238 WeakPolarHBondContact SG-CD1 3.44Å; L238-R271 HydrophobicContact CB-CB 4.15Å; L238-V272 PolarHBondContact N-O 3.36Å; L238-K273 HydrophobicContact CB-CG 4.4Å; L238-K273 HydrophobicContact CD2-CG 4.08Å; L238-Y274 HydrophobicContact CB-CD1 4.34Å; L238-Y274 HydrophobicContact CD2-CD1 4.27Å; L238-Y274 HydrophobicContact CD2-CE1 3.77Å; L238-Y274 HydrophobicContact CG-CD1 4.13Å; L238-Y274 HydrophobicContact CG-CE1 4.11Å; L238-Y274 CarbonylContact O-C 3.52Å; L238-Y274 WeakPolarHBondContact O-CA 3.46Å; L238-G275 PolarHBondContact O-N 2.91Å
239	G	92.9	Very high	86.9	Confident	19 Å²	19	45.9 Å²	45.9	20%	0.196	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	137.1	176.6	0	0	0	0	0	113.2	W241 G275	G239-W241 VanDerWaalsContact C-CZ3 3.41Å; G239-G275 WeakPolarHBondContact CA-O 3.45Å
240	R	92.2	Very high	87.4	Confident	62 Å²	62	46.6 Å²	46.6	23%	0.234	27%	0.267	C	S	.	.			trans	-151.8	133.9	173	-168.1	170	-174	177.2	-3.2	111.7	D242 N244 Y245 D247 Y274 G275 Q276	R240-D242 WeakPolarHBondContact CD-OD1 3.09Å; R240-D242 VanDerWaalsContact CG-OD1 3.22Å; R240-D242 WeakPolarHBondContact CG-OD1 3.24Å; R240-D242 IonicContact CZ-OD1 2.85Å; R240-D242 IonicContact CZ-OD2 2.71Å; R240-D242 VanDerWaalsContact CZ-OD2 3.26Å; R240-D242 IonicContact NE-OD1 3.86Å; R240-D242 PolarHBondContact NE-OD1 2.88Å; R240-D242 IonicContact NE-OD2 3.14Å; R240-D242 PolarHBondContact NE-OD2 3.47Å; R240-D242 IonicContact NH2-OD1 3.06Å; R240-D242 IonicContact NH2-OD2 2.63Å; R240-D242 PolarHBondContact NH2-OD2 3.14Å; R240-N244 WeakPolarHBondContact CD-O 3.14Å; R240-N244 PolarHBondContact NE-O 3.38Å; R240-N244 VanDerWaalsContact NE-O 3.07Å; R240-N244 PolarHBondContact NH1-O 2.73Å; R240-N244 PolarHBondContact NH2-O 3.45Å; R240-Y245 HydrophobicContact CB-CD1 4.47Å; R240-Y245 HydrophobicContact CB-CE1 4.08Å; R240-Y245 HydrophobicContact CG-CD1 4.47Å; R240-Y245 HydrophobicContact CG-CE1 4.13Å; R240-Y245 WeakPolarHBondContact O-CE1 3.27Å; R240-Y245 PolarHBondContact O-OH 3.4Å; R240-D247 IonicContact NH1-OD1 3.72Å; R240-D247 PolarHBondContact NH1-OD1 2.71Å; R240-Y274 HydrophobicContact CB-CD1 3.54Å; R240-Y274 HydrophobicContact CB-CE1 3.97Å; R240-Y274 HydrophobicContact CB-CG 3.92Å; R240-Y274 HydrophobicContact CG-CD1 4.4Å; R240-Y274 HydrophobicContact CG-CE1 4.41Å; R240-Y274 PolarHBondContact NH1-OH 2.95Å; R240-G275 PolarHBondContact N-O 3.35Å; R240-Q276 PolarHBondContact O-NE2 3.42Å
241	W	90.8	Very high	88.4	Confident	62 Å²	62	46.5 Å²	46.5	24%	0.235	27%	0.266	C	S	.	.			trans	-129.3	8.5	-172.7	-66.5	-96.6	0	0	0	114.2	G239 N243 F280 W332 T360 Y516	G239-W241 VanDerWaalsContact C-CZ3 3.41Å; W241-N243 VanDerWaalsContact C-N 3.26Å; W241-N243 PolarHBondContact O-N 3.41Å; W241-F280 HydrophobicContact CH2-CE2 4.08Å; W241-F280 HydrophobicContact CH2-CZ 4.46Å; W241-F280 HydrophobicContact CZ2-CE2 4.02Å; W241-W332 AromaticContact NE1-CH2 3.97Å; W241-T360 HydrophobicContact CZ2-CG2 4.45Å; W241-Y516 AromaticContact CD1-CE1 3.78Å; W241-Y516 AromaticContact CD1-CZ 3.98Å; W241-Y516 AromaticContact NE1-CE1 3.95Å; W241-Y516 AromaticContact NE1-CZ 3.71Å; W241-Y516 PolarHBondContact NE1-OH 3.27Å
242	D	89.1	Confident	89.9	Confident	88 Å²	88	43.6 Å²	43.6	47%	0.471	25%	0.25	S	C	.	.	S	Bend	trans	-86.4	10.3	-175.7	68.9	-11.6	0	0	0	114.1	R240 N244	R240-D242 WeakPolarHBondContact CD-OD1 3.09Å; R240-D242 VanDerWaalsContact CG-OD1 3.22Å; R240-D242 WeakPolarHBondContact CG-OD1 3.24Å; R240-D242 IonicContact CZ-OD1 2.85Å; R240-D242 IonicContact CZ-OD2 2.71Å; R240-D242 VanDerWaalsContact CZ-OD2 3.26Å; R240-D242 IonicContact NE-OD1 3.86Å; R240-D242 PolarHBondContact NE-OD1 2.88Å; R240-D242 IonicContact NE-OD2 3.14Å; R240-D242 PolarHBondContact NE-OD2 3.47Å; R240-D242 IonicContact NH2-OD1 3.06Å; R240-D242 IonicContact NH2-OD2 2.63Å; R240-D242 PolarHBondContact NH2-OD2 3.14Å; D242-N244 PolarHBondContact O-N 3.18Å; D242-N244 PolarHBondContact OD1-N 3.32Å
243	N	87.9	Confident	91.6	Very high	68 Å²	68	41.5 Å²	41.5	36%	0.364	24%	0.24	S	C	.	.	S	Bend	trans	60.7	19.9	-177.1	-148.5	51.5	0	0	0	114.6	W241 Y245 E557	W241-N243 VanDerWaalsContact C-N 3.26Å; W241-N243 PolarHBondContact O-N 3.41Å; N243-Y245 PolarHBondContact N-OH 3.06Å; N243-E557 PolarHBondContact OD1-OE2 3.39Å
244	N	92.5	Very high	93.1	Very high	94 Å²	94	40.1 Å²	40.1	50%	0.503	23%	0.233	S	C	.	.			trans	-124.1	101.8	178.3	-170.6	-15.1	0	0	0	111.5	R240 D242	R240-N244 WeakPolarHBondContact CD-O 3.14Å; R240-N244 PolarHBondContact NE-O 3.38Å; R240-N244 VanDerWaalsContact NE-O 3.07Å; R240-N244 PolarHBondContact NH1-O 2.73Å; R240-N244 PolarHBondContact NH2-O 3.45Å; D242-N244 PolarHBondContact O-N 3.18Å; D242-N244 PolarHBondContact OD1-N 3.32Å
245	Y	94.6	Very high	94.1	Very high	18 Å²	18	35.4 Å²	35.4	7%	0.071	21%	0.21	C	C	.	.			trans	-118	13.9	-172.1	-48.8	-64.5	0	0	0	113.8	R240 N243 D247 G248 N250 P251 Y274 Q276	R240-Y245 HydrophobicContact CB-CD1 4.47Å; R240-Y245 HydrophobicContact CB-CE1 4.08Å; R240-Y245 HydrophobicContact CG-CD1 4.47Å; R240-Y245 HydrophobicContact CG-CE1 4.13Å; R240-Y245 WeakPolarHBondContact O-CE1 3.27Å; R240-Y245 PolarHBondContact O-OH 3.4Å; N243-Y245 PolarHBondContact N-OH 3.06Å; Y245-D247 PolarHBondContact O-N 2.85Å; Y245-G248 CarbonylContact O-C 3.55Å; Y245-G248 PolarHBondContact O-N 2.73Å; Y245-N250 HydrophobicContact CD2-CB 4.11Å; Y245-N250 WeakPolarHBondContact CD2-ND2 3.39Å; Y245-N250 HydrophobicContact CG-CB 4.35Å; Y245-P251 HydrophobicContact CD1-CG 4.19Å; Y245-P251 HydrophobicContact CE1-CG 3.83Å; Y245-Y274 AromaticContact CD1-CD2 3.77Å; Y245-Y274 HydrophobicContact CD1-CD2 3.77Å; Y245-Y274 HydrophobicContact CD1-CE2 4.47Å; Y245-Y274 HydrophobicContact CD1-CG 4.17Å; Y245-Y274 HydrophobicContact CG-CD2 4.44Å; Y245-Q276 PolarHBondContact OH-NE2 2.95Å
246	G	93.6	Very high	94.8	Very high	75 Å²	75	35.4 Å²	35.4	77%	0.773	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.4	-169.9	0	0	0	0	0	115.8
247	D	95.6	Very high	95	Very high	88 Å²	88	35.4 Å²	35.4	47%	0.471	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	12.3	176.4	74.7	-49.5	0	0	0	113.7	R240 Y245 K273 Y274	R240-D247 IonicContact NH1-OD1 3.72Å; R240-D247 PolarHBondContact NH1-OD1 2.71Å; Y245-D247 PolarHBondContact O-N 2.85Å; D247-K273 IonicContact OD2-NZ 2.76Å; D247-K273 PolarHBondContact OD2-NZ 3.23Å; D247-Y274 VanDerWaalsContact OD1-CE2 3.28Å; D247-Y274 WeakPolarHBondContact OD1-CE2 3.28Å; D247-Y274 PolarHBondContact OD1-OH 2.6Å; D247-Y274 PolarHBondContact OD2-OH 3.48Å
248	G	96.1	Very high	95.2	Very high	33 Å²	33	35.5 Å²	35.5	34%	0.34	21%	0.211	S	C	.	.	S	Bend	trans	-154	-164.1	178.6	0	0	0	0	0	111.9	Y245	Y245-G248 CarbonylContact O-C 3.55Å; Y245-G248 PolarHBondContact O-N 2.73Å
249	V	96.8	Very high	95.3	Very high	31 Å²	31	34.9 Å²	34.9	19%	0.188	21%	0.208	C	C	.	.			trans	-91.8	132.7	170.6	-177.7	0	0	0	0	108.5	W254 K273 Y274	V249-W254 HydrophobicContact CB-CD2 4.46Å; V249-W254 HydrophobicContact CB-CH2 3.81Å; V249-W254 HydrophobicContact CB-CZ2 3.38Å; V249-W254 HydrophobicContact CB-CZ3 4.49Å; V249-W254 HydrophobicContact CG1-CD2 3.84Å; V249-W254 HydrophobicContact CG1-CE3 4.16Å; V249-W254 HydrophobicContact CG1-CG 4.44Å; V249-W254 HydrophobicContact CG1-CH2 4.03Å; V249-W254 HydrophobicContact CG1-CZ2 3.71Å; V249-W254 HydrophobicContact CG1-CZ3 4.24Å; V249-W254 HydrophobicContact CG2-CH2 3.64Å; V249-W254 HydrophobicContact CG2-CZ2 3.74Å; V249-W254 HydrophobicContact CG2-CZ3 4.32Å; V249-K273 PolarHBondContact N-O 2.91Å; V249-Y274 PolarHBondContact O-N 2.89Å
250	N	96.1	Very high	95.6	Very high	18 Å²	18	34 Å²	34	10%	0.096	20%	0.199	C	C	.	.			trans	-59.1	130	172.6	-175.5	-40.3	0	0	0	110.1	Y245 M252 S253 E557	Y245-N250 HydrophobicContact CD2-CB 4.11Å; Y245-N250 WeakPolarHBondContact CD2-ND2 3.39Å; Y245-N250 HydrophobicContact CG-CB 4.35Å; N250-M252 PolarHBondContact O-N 2.9Å; N250-M252 VanDerWaalsContact O-N 3.09Å; N250-M252 PolarHBondContact OD1-N 3.32Å; N250-S253 WeakPolarHBondContact CB-OG 3.44Å; N250-S253 PolarHBondContact O-N 2.79Å; N250-E557 WeakPolarHBondContact ND2-CG 3.48Å; N250-E557 PolarHBondContact ND2-OE1 2.93Å
251	P	97.2	Very high	95.9	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-32.7	179.7	-28.4	35.5	0	0	0	114.6	Y245 Q276 W278 V279	Y245-P251 HydrophobicContact CD1-CG 4.19Å; Y245-P251 HydrophobicContact CE1-CG 3.83Å; P251-Q276 HydrophobicContact CB-CB 3.98Å; P251-Q276 HydrophobicContact CB-CG 3.69Å; P251-Q276 HydrophobicContact CG-CG 3.75Å; P251-W278 HydrophobicContact CB-CZ2 4.01Å; P251-W278 PolarHBondContact O-NE1 2.88Å; P251-V279 HydrophobicContact CB-CG2 4.34Å
252	M	96.8	Very high	96.3	Very high	13 Å²	13	30.5 Å²	30.5	6%	0.064	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-18.9	177.5	-76.4	-64.9	-69.3	0	0	113.1	N250 W278 E557 A675 K677	N250-M252 PolarHBondContact O-N 2.9Å; N250-M252 VanDerWaalsContact O-N 3.09Å; N250-M252 PolarHBondContact OD1-N 3.32Å; M252-W278 HydrophobicContact CG-CH2 3.99Å; M252-W278 HydrophobicContact CG-CZ2 3.69Å; M252-W278 HydrophobicContact SD-CH2 3.51Å; M252-W278 VanDerWaalsContact SD-CH2 3.51Å; M252-W278 HydrophobicContact SD-CZ2 3.2Å; M252-W278 WeakPolarHBondContact SD-CZ2 3.16Å; M252-E557 HydrophobicContact CB-CB 3.92Å; M252-E557 HydrophobicContact CG-CB 3.94Å; M252-A675 HydrophobicContact CB-CB 3.54Å; M252-A675 WeakPolarHBondContact O-CB 3.45Å; M252-K677 WeakPolarHBondContact O-CE 3.48Å; M252-K677 PolarHBondContact O-NZ 3.27Å
253	S	97.9	Very high	96.7	Very high	21 Å²	21	30.4 Å²	30.4	15%	0.147	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-20.7	-179.6	-57.4	0	0	0	0	113.2	N250 E669 K677	N250-S253 WeakPolarHBondContact CB-OG 3.44Å; N250-S253 PolarHBondContact O-N 2.79Å; S253-E669 PolarHBondContact OG-OE2 2.93Å; S253-K677 PolarHBondContact O-NZ 3.27Å; S253-K677 VanDerWaalsContact O-NZ 3.16Å
254	W	98.6	Very high	97.2	Very high	8 Å²	8	27.1 Å²	27.1	3%	0.03	16%	0.161	C	C	.	.			trans	-57.4	142.1	174.4	-62.4	117.1	0	0	0	112.1	W180 V249 D259 I260 V272 Y274 K677	W180-W254 HydrophobicContact CH2-CB 3.49Å; W180-W254 VanDerWaalsContact CH2-CB 3.49Å; W180-W254 HydrophobicContact CH2-CG 4.47Å; W180-W254 HydrophobicContact CZ2-CB 4.4Å; W180-W254 HydrophobicContact CZ3-CB 3.94Å; V249-W254 HydrophobicContact CB-CD2 4.46Å; V249-W254 HydrophobicContact CB-CH2 3.81Å; V249-W254 HydrophobicContact CB-CZ2 3.38Å; V249-W254 HydrophobicContact CB-CZ3 4.49Å; V249-W254 HydrophobicContact CG1-CD2 3.84Å; V249-W254 HydrophobicContact CG1-CE3 4.16Å; V249-W254 HydrophobicContact CG1-CG 4.44Å; V249-W254 HydrophobicContact CG1-CH2 4.03Å; V249-W254 HydrophobicContact CG1-CZ2 3.71Å; V249-W254 HydrophobicContact CG1-CZ3 4.24Å; V249-W254 HydrophobicContact CG2-CH2 3.64Å; V249-W254 HydrophobicContact CG2-CZ2 3.74Å; V249-W254 HydrophobicContact CG2-CZ3 4.32Å; W254-D259 HydrophobicContact CZ3-CB 4.36Å; W254-D259 WeakPolarHBondContact CZ3-OD2 3.47Å; W254-I260 HydrophobicContact CD2-CD1 3.83Å; W254-I260 HydrophobicContact CD2-CG1 3.77Å; W254-I260 HydrophobicContact CE3-CD1 4.1Å; W254-I260 HydrophobicContact CE3-CG1 3.61Å; W254-I260 HydrophobicContact CG-CD1 4.02Å; W254-I260 HydrophobicContact CG-CG1 4.48Å; W254-I260 HydrophobicContact CH2-CG1 3.9Å; W254-I260 HydrophobicContact CZ2-CG1 4.02Å; W254-I260 HydrophobicContact CZ3-CG1 3.69Å; W254-V272 HydrophobicContact CH2-CG1 3.91Å; W254-V272 HydrophobicContact CZ2-CG1 3.8Å; W254-Y274 PolarHBondContact NE1-O 3.32Å; W254-K677 PolarHBondContact O-NZ 3.3Å
255	I	98.7	Very high	97.4	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	16%	0.157	C	C	.	.			trans	-127.2	-3.2	176.2	52.4	172.9	0	0	0	113.4	W180 N181 T623 E625 V665 N667 K677	W180-I255 WeakPolarHBondContact CA-O 3.31Å; N181-I255 PolarHBondContact N-O 3.14Å; I255-T623 HydrophobicContact CD1-CG2 3.99Å; I255-E625 HydrophobicContact CD1-CB 3.63Å; I255-E625 HydrophobicContact CG1-CB 4.16Å; I255-V665 HydrophobicContact CB-CB 4.42Å; I255-V665 HydrophobicContact CB-CG1 3.68Å; I255-V665 HydrophobicContact CG2-CG1 3.87Å; I255-N667 HydrophobicContact CG2-CB 3.63Å; I255-K677 HydrophobicContact CG2-CD 4.12Å
256	G	98.6	Very high	97.5	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.01	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-166	159.8	-178.5	0	0	0	0	0	112.6	N181	N181-G256 CarbonylContact O-C 3.58Å; N181-G256 WeakPolarHBondContact O-CA 3.49Å
257	S	98.9	Very high	97.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-83.1	-19.6	179	-55.9	0	0	0	0	112.5	W180 N181 I260 L261 A282 T286	W180-S257 PolarHBondContact NE1-OG 2.87Å; N181-S257 PolarHBondContact O-N 3.18Å; S257-I260 PolarHBondContact O-N 3.33Å; S257-L261 WeakPolarHBondContact O-CG 3.36Å; S257-L261 PolarHBondContact O-N 3.15Å; S257-A282 PolarHBondContact OG-O 2.93Å; S257-T286 WeakPolarHBondContact CB-OG1 3.28Å; S257-T286 PolarHBondContact OG-OG1 3.09Å
258	V	98.8	Very high	97.5	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-52.1	-172.5	176.4	0	0	0	0	111.2	E186 I189 I260 L261 R262	E186-V258 HydrophobicContact CB-CG1 4.2Å; E186-V258 HydrophobicContact CB-CG2 4.21Å; E186-V258 HydrophobicContact CG-CG2 4.17Å; E186-V258 WeakPolarHBondContact OE2-CG1 3.18Å; I189-V258 HydrophobicContact CD1-CB 4.36Å; I189-V258 HydrophobicContact CD1-CG1 3.98Å; I189-V258 HydrophobicContact CG1-CG1 4.34Å; V258-I260 VanDerWaalsContact C-N 3.29Å; V258-I260 PolarHBondContact O-N 3.26Å; V258-L261 PolarHBondContact O-N 3.44Å; V258-R262 HydrophobicContact CG1-CG 4.49Å; V258-R262 VanDerWaalsContact CG1-CZ 3.49Å; V258-R262 WeakPolarHBondContact O-CB 3.5Å; V258-R262 WeakPolarHBondContact O-CG 3.5Å; V258-R262 PolarHBondContact O-N 3.42Å
259	D	98.5	Very high	97.4	Very high	29 Å²	29	31.5 Å²	31.5	16%	0.155	17%	0.167	C	C	.	.	H	α-helix	trans	-62.6	-37.4	179.3	-174	30.8	0	0	0	111.5	W254 R262 R263	W254-D259 HydrophobicContact CZ3-CB 4.36Å; W254-D259 WeakPolarHBondContact CZ3-OD2 3.47Å; D259-R262 PolarHBondContact O-N 2.73Å; D259-R263 VanDerWaalsContact O-CB 3.3Å; D259-R263 WeakPolarHBondContact O-CB 3.41Å; D259-R263 WeakPolarHBondContact O-CG 3.44Å; D259-R263 PolarHBondContact O-N 2.81Å; D259-R263 IonicContact OD1-CZ 3.58Å; D259-R263 IonicContact OD1-NE 3.97Å; D259-R263 PolarHBondContact OD1-NE 3.01Å; D259-R263 IonicContact OD1-NH2 3.02Å; D259-R263 IonicContact OD2-CZ 3.83Å; D259-R263 IonicContact OD2-NE 3.77Å; D259-R263 PolarHBondContact OD2-NE 3.48Å; D259-R263 IonicContact OD2-NH2 3.43Å; D259-R263 PolarHBondContact OD2-NH2 3.25Å
260	I	98.7	Very high	97.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-53.3	175.7	-61.6	170.5	0	0	0	110.6	W180 V236 L237 W254 S257 V258 R262 R263 W264 V272 V279 V283	W180-I260 HydrophobicContact CZ2-CD1 4.37Å; V236-I260 HydrophobicContact CG1-CG2 3.87Å; L237-I260 HydrophobicContact CD1-CG2 4.21Å; L237-I260 HydrophobicContact CD2-CD1 4.45Å; L237-I260 HydrophobicContact CD2-CG2 3.68Å; L237-I260 HydrophobicContact CG-CG2 3.87Å; W254-I260 HydrophobicContact CD2-CD1 3.83Å; W254-I260 HydrophobicContact CD2-CG1 3.77Å; W254-I260 HydrophobicContact CE3-CD1 4.1Å; W254-I260 HydrophobicContact CE3-CG1 3.61Å; W254-I260 HydrophobicContact CG-CD1 4.02Å; W254-I260 HydrophobicContact CG-CG1 4.48Å; W254-I260 HydrophobicContact CH2-CG1 3.9Å; W254-I260 HydrophobicContact CZ2-CG1 4.02Å; W254-I260 HydrophobicContact CZ3-CG1 3.69Å; S257-I260 PolarHBondContact O-N 3.33Å; V258-I260 VanDerWaalsContact C-N 3.29Å; V258-I260 PolarHBondContact O-N 3.26Å; I260-R262 PolarHBondContact O-N 2.95Å; I260-R263 PolarHBondContact O-N 2.99Å; I260-W264 PolarHBondContact O-N 3.19Å; I260-V272 HydrophobicContact CG2-CB 4.27Å; I260-V272 HydrophobicContact CG2-CG1 4.21Å; I260-V272 HydrophobicContact CG2-CG2 4.46Å; I260-V272 WeakPolarHBondContact O-CG2 3.38Å; I260-V279 HydrophobicContact CD1-CG1 3.47Å; I260-V279 VanDerWaalsContact CD1-CG1 3.47Å; I260-V283 HydrophobicContact CB-CG2 4.32Å; I260-V283 HydrophobicContact CD1-CG2 3.87Å; I260-V283 HydrophobicContact CG2-CG2 4.05Å
261	L	98.7	Very high	97	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.6	-41.1	-178.9	-73.1	170.7	0	0	0	111.9	I189 I192 V236 S257 V258 W264 K265 V283 T286 V287	I189-L261 HydrophobicContact CD1-CB 4.02Å; I189-L261 HydrophobicContact CD1-CD1 4.26Å; I189-L261 HydrophobicContact CG2-CD1 4.13Å; I192-L261 HydrophobicContact CG2-CB 4.05Å; I192-L261 HydrophobicContact CG2-CD2 4.17Å; V236-L261 HydrophobicContact CG1-CD2 4.25Å; S257-L261 WeakPolarHBondContact O-CG 3.36Å; S257-L261 PolarHBondContact O-N 3.15Å; V258-L261 PolarHBondContact O-N 3.44Å; L261-W264 PolarHBondContact O-N 3.23Å; L261-K265 PolarHBondContact O-N 2.81Å; L261-K265 VanDerWaalsContact O-N 3.08Å; L261-V283 HydrophobicContact CD2-CG1 3.95Å; L261-V283 HydrophobicContact CG-CG1 4.28Å; L261-T286 HydrophobicContact CD1-CG2 3.77Å; L261-V287 HydrophobicContact CD1-CG2 4.37Å; L261-V287 HydrophobicContact CD2-CG2 4.27Å
262	R	98.5	Very high	97	Very high	51 Å²	51	42.7 Å²	42.7	19%	0.192	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-46.1	175.1	-74.6	179.1	176.9	161.3	2	111.4	E186 D187 I189 I192 V258 D259 I260 W264 K265 N266 E631	E186-R262 IonicContact OE2-CZ 2.94Å; E186-R262 IonicContact OE2-NH1 2.63Å; E186-R262 IonicContact OE2-NH2 2.7Å; D187-R262 PolarHBondContact O-NH2 2.72Å; D187-R262 VanDerWaalsContact O-NH2 3.12Å; I189-R262 HydrophobicContact CD1-CG 4.35Å; I192-R262 HydrophobicContact CD1-CG 4.24Å; V258-R262 HydrophobicContact CG1-CG 4.49Å; V258-R262 VanDerWaalsContact CG1-CZ 3.49Å; V258-R262 WeakPolarHBondContact O-CB 3.5Å; V258-R262 WeakPolarHBondContact O-CG 3.5Å; V258-R262 PolarHBondContact O-N 3.42Å; D259-R262 PolarHBondContact O-N 2.73Å; I260-R262 PolarHBondContact O-N 2.95Å; R262-W264 PolarHBondContact O-N 2.98Å; R262-K265 PolarHBondContact O-N 3.47Å; R262-N266 WeakPolarHBondContact O-CB 2.85Å; R262-N266 PolarHBondContact O-N 2.73Å; R262-N266 PolarHBondContact O-ND2 3.43Å; R262-E631 PolarHBondContact NH1-O 3.21Å
263	R	98	Very high	97	Very high	86 Å²	86	45.8 Å²	45.8	33%	0.325	22%	0.224	S	C	.	.	H	α-helix	trans	-60.1	-45.9	176.5	-75.4	173.7	-169.9	-140.6	11.7	111.7	D259 I260 K265 N266 H267 V272	D259-R263 VanDerWaalsContact O-CB 3.3Å; D259-R263 WeakPolarHBondContact O-CB 3.41Å; D259-R263 WeakPolarHBondContact O-CG 3.44Å; D259-R263 PolarHBondContact O-N 2.81Å; D259-R263 IonicContact OD1-CZ 3.58Å; D259-R263 IonicContact OD1-NE 3.97Å; D259-R263 PolarHBondContact OD1-NE 3.01Å; D259-R263 IonicContact OD1-NH2 3.02Å; D259-R263 IonicContact OD2-CZ 3.83Å; D259-R263 IonicContact OD2-NE 3.77Å; D259-R263 PolarHBondContact OD2-NE 3.48Å; D259-R263 IonicContact OD2-NH2 3.43Å; D259-R263 PolarHBondContact OD2-NH2 3.25Å; I260-R263 PolarHBondContact O-N 2.99Å; R263-K265 PolarHBondContact O-N 2.7Å; R263-N266 PolarHBondContact O-N 2.98Å; R263-H267 WeakPolarHBondContact O-CB 3.45Å; R263-H267 PolarHBondContact O-N 3.45Å; R263-H267 PolarHBondContact O-ND1 2.88Å; R263-V272 HydrophobicContact CB-CG1 4.41Å; R263-V272 HydrophobicContact CB-CG2 3.9Å
264	W	97.5	Very high	96.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-56.5	-52.5	178.1	176.2	75.7	0	0	0	111.1	I192 I195 L196 V199 Q234 V236 I260 L261 R262 H267 C269 Q270 V272	I192-W264 HydrophobicContact CG2-CE3 3.92Å; I192-W264 HydrophobicContact CG2-CZ3 4Å; I195-W264 HydrophobicContact CG2-CH2 4.02Å; I195-W264 HydrophobicContact CG2-CZ3 4.07Å; L196-W264 HydrophobicContact CB-CH2 4.12Å; L196-W264 HydrophobicContact CB-CZ3 4.29Å; V199-W264 HydrophobicContact CG2-CH2 3.78Å; V199-W264 HydrophobicContact CG2-CZ2 3.85Å; Q234-W264 PolarHBondContact O-NE1 3.27Å; V236-W264 HydrophobicContact CB-CG 4.44Å; V236-W264 HydrophobicContact CG1-CB 4.05Å; V236-W264 HydrophobicContact CG1-CG 4.09Å; V236-W264 HydrophobicContact CG2-CD2 4.25Å; V236-W264 HydrophobicContact CG2-CG 4.4Å; I260-W264 PolarHBondContact O-N 3.19Å; L261-W264 PolarHBondContact O-N 3.23Å; R262-W264 PolarHBondContact O-N 2.98Å; W264-H267 PolarHBondContact O-N 3.42Å; W264-C269 HydrophobicContact CD2-CB 4.35Å; W264-C269 HydrophobicContact CH2-CB 4.2Å; W264-C269 VanDerWaalsContact CH2-SG 3.51Å; W264-C269 HydrophobicContact CZ2-CB 3.54Å; W264-C269 VanDerWaalsContact CZ2-SG 3.51Å; W264-C269 PolarHBondContact NE1-O 3.36Å; W264-C269 VanDerWaalsContact NE1-O 3.14Å; W264-C269 WeakPolarHBondContact O-CA 3.45Å; W264-C269 PolarHBondContact O-N 2.98Å; W264-Q270 VanDerWaalsContact CD1-O 3.29Å; W264-V272 HydrophobicContact CB-CG2 3.67Å
265	K	96.9	Very high	96.8	Very high	95 Å²	95	44.8 Å²	44.8	41%	0.413	22%	0.217	S	C	.	.	H	α-helix	trans	-65.5	-43.1	179.5	-179.9	-97.8	179.7	175.5	0	112.5	I192 I195 L261 R262 R263 H267 G268	I192-K265 HydrophobicContact CD1-CB 4.09Å; I192-K265 HydrophobicContact CG1-CB 3.84Å; I192-K265 HydrophobicContact CG1-CD 4.38Å; I192-K265 HydrophobicContact CG1-CG 3.95Å; I192-K265 HydrophobicContact CG2-CB 4.24Å; I195-K265 HydrophobicContact CD1-CG 4.34Å; L261-K265 PolarHBondContact O-N 2.81Å; L261-K265 VanDerWaalsContact O-N 3.08Å; R262-K265 PolarHBondContact O-N 3.47Å; R263-K265 PolarHBondContact O-N 2.7Å; K265-H267 VanDerWaalsContact C-N 3.27Å; K265-H267 PolarHBondContact O-N 2.92Å; K265-G268 PolarHBondContact O-N 3.24Å; K265-G268 VanDerWaalsContact O-N 3.17Å
266	N	97.3	Very high	96.6	Very high	109 Å²	109	45 Å²	45	58%	0.583	22%	0.218	S	C	*	.	H	α-helix	trans	-68.3	-25.8	-176.4	-71.6	-15.9	0	0	0	113.1	R262 R263 G268	R262-N266 WeakPolarHBondContact O-CB 2.85Å; R262-N266 PolarHBondContact O-N 2.73Å; R262-N266 PolarHBondContact O-ND2 3.43Å; R263-N266 PolarHBondContact O-N 2.98Å; N266-G268 VanDerWaalsContact C-N 3.31Å
267	H	95.6	Very high	96.5	Very high	118 Å²	118	45 Å²	45	55%	0.546	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	24.8	175.4	-62.5	83.6	0	0	0	112.6	R263 W264 K265 Q270	R263-H267 WeakPolarHBondContact O-CB 3.45Å; R263-H267 PolarHBondContact O-N 3.45Å; R263-H267 PolarHBondContact O-ND1 2.88Å; W264-H267 PolarHBondContact O-N 3.42Å; K265-H267 VanDerWaalsContact C-N 3.27Å; K265-H267 PolarHBondContact O-N 2.92Å; H267-Q270 HydrophobicContact CB-CB 4.22Å; H267-Q270 WeakPolarHBondContact O-CB 3.23Å; H267-Q270 WeakPolarHBondContact O-CG 3.33Å; H267-Q270 PolarHBondContact O-N 3.16Å; H267-Q270 PolarHBondContact O-NE2 2.99Å
268	G	93.9	Very high	96.5	Very high	57 Å²	57	45.1 Å²	45.1	59%	0.588	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.3	42.7	174.8	0	0	0	0	0	113.4	K265 N266 Q270	K265-G268 PolarHBondContact O-N 3.24Å; K265-G268 VanDerWaalsContact O-N 3.17Å; N266-G268 VanDerWaalsContact C-N 3.31Å; G268-Q270 PolarHBondContact O-N 3.43Å
269	C	93.4	Very high	96.5	Very high	21 Å²	21	45 Å²	45	14%	0.142	22%	0.218	C	C	.	.	S	Bend	trans	63.1	23.9	-177.8	-57.5	0	0	0	0	113.9	Q234 W264	Q234-C269 PolarHBondContact OE1-O 3.25Å; W264-C269 HydrophobicContact CD2-CB 4.35Å; W264-C269 HydrophobicContact CH2-CB 4.2Å; W264-C269 VanDerWaalsContact CH2-SG 3.51Å; W264-C269 HydrophobicContact CZ2-CB 3.54Å; W264-C269 VanDerWaalsContact CZ2-SG 3.51Å; W264-C269 PolarHBondContact NE1-O 3.36Å; W264-C269 VanDerWaalsContact NE1-O 3.14Å; W264-C269 WeakPolarHBondContact O-CA 3.45Å; W264-C269 PolarHBondContact O-N 2.98Å
270	Q	91.6	Very high	96.5	Very high	133 Å²	133	43.6 Å²	43.6	62%	0.621	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-73.4	141.5	171	-71.3	177.3	32.4	0	0	111.1	W264 H267 G268 V272	W264-Q270 VanDerWaalsContact CD1-O 3.29Å; H267-Q270 HydrophobicContact CB-CB 4.22Å; H267-Q270 WeakPolarHBondContact O-CB 3.23Å; H267-Q270 WeakPolarHBondContact O-CG 3.33Å; H267-Q270 PolarHBondContact O-N 3.16Å; H267-Q270 PolarHBondContact O-NE2 2.99Å; G268-Q270 PolarHBondContact O-N 3.43Å; Q270-V272 PolarHBondContact O-N 2.85Å
271	R	93.2	Very high	96.5	Very high	139 Å²	139	43.6 Å²	43.6	53%	0.525	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-55.9	123.5	-179.4	-56.1	172.9	-84.9	-156.1	-2.7	111.3	C230 L238	C230-R271 HydrophobicContact CB-CB 4.29Å; C230-R271 HydrophobicContact CB-CG 3.49Å; C230-R271 VanDerWaalsContact CB-CG 3.49Å; C230-R271 WeakPolarHBondContact SG-CD 3.47Å; L238-R271 HydrophobicContact CB-CB 4.15Å
272	V	97	Very high	96.5	Very high	11 Å²	11	43.6 Å²	43.6	7%	0.067	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	129.2	178.3	179.9	0	0	0	0	109.5	V236 L237 L238 W254 I260 R263 W264 Q270	V236-V272 PolarHBondContact O-N 2.81Å; L237-V272 WeakPolarHBondContact CA-O 3.36Å; L237-V272 HydrophobicContact CD2-CB 4.09Å; L237-V272 HydrophobicContact CD2-CG1 4.23Å; L238-V272 PolarHBondContact N-O 3.36Å; W254-V272 HydrophobicContact CH2-CG1 3.91Å; W254-V272 HydrophobicContact CZ2-CG1 3.8Å; I260-V272 HydrophobicContact CG2-CB 4.27Å; I260-V272 HydrophobicContact CG2-CG1 4.21Å; I260-V272 HydrophobicContact CG2-CG2 4.46Å; I260-V272 WeakPolarHBondContact O-CG2 3.38Å; R263-V272 HydrophobicContact CB-CG1 4.41Å; R263-V272 HydrophobicContact CB-CG2 3.9Å; W264-V272 HydrophobicContact CB-CG2 3.67Å; Q270-V272 PolarHBondContact O-N 2.85Å
273	K	96.3	Very high	96.5	Very high	79 Å²	79	41.2 Å²	41.2	34%	0.343	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.2	179.9	-69.5	180	168.5	-173.1	0	110.4	L238 D247 V249	L238-K273 HydrophobicContact CB-CG 4.4Å; L238-K273 HydrophobicContact CD2-CG 4.08Å; D247-K273 IonicContact OD2-NZ 2.76Å; D247-K273 PolarHBondContact OD2-NZ 3.23Å; V249-K273 PolarHBondContact N-O 2.91Å
274	Y	96.3	Very high	96.5	Very high	7 Å²	7	37.2 Å²	37.2	3%	0.027	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-126.3	158.5	-9.2	-67.5	-74.7	0	0	0	110.8	L238 R240 Y245 D247 V249 W254	L238-Y274 HydrophobicContact CB-CD1 4.34Å; L238-Y274 HydrophobicContact CD2-CD1 4.27Å; L238-Y274 HydrophobicContact CD2-CE1 3.77Å; L238-Y274 HydrophobicContact CG-CD1 4.13Å; L238-Y274 HydrophobicContact CG-CE1 4.11Å; L238-Y274 CarbonylContact O-C 3.52Å; L238-Y274 WeakPolarHBondContact O-CA 3.46Å; R240-Y274 HydrophobicContact CB-CD1 3.54Å; R240-Y274 HydrophobicContact CB-CE1 3.97Å; R240-Y274 HydrophobicContact CB-CG 3.92Å; R240-Y274 HydrophobicContact CG-CD1 4.4Å; R240-Y274 HydrophobicContact CG-CE1 4.41Å; R240-Y274 PolarHBondContact NH1-OH 2.95Å; Y245-Y274 AromaticContact CD1-CD2 3.77Å; Y245-Y274 HydrophobicContact CD1-CD2 3.77Å; Y245-Y274 HydrophobicContact CD1-CE2 4.47Å; Y245-Y274 HydrophobicContact CD1-CG 4.17Å; Y245-Y274 HydrophobicContact CG-CD2 4.44Å; D247-Y274 VanDerWaalsContact OD1-CE2 3.28Å; D247-Y274 WeakPolarHBondContact OD1-CE2 3.28Å; D247-Y274 PolarHBondContact OD1-OH 2.6Å; D247-Y274 PolarHBondContact OD2-OH 3.48Å; V249-Y274 PolarHBondContact O-N 2.89Å; W254-Y274 PolarHBondContact NE1-O 3.32Å
275	G	96.2	Very high	96.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	157	177.1	0	0	0	0	0	113	L238 G239 R240	L238-G275 PolarHBondContact O-N 2.91Å; G239-G275 WeakPolarHBondContact CA-O 3.45Å; R240-G275 PolarHBondContact N-O 3.35Å
276	Q	95.3	Very high	96.7	Very high	7 Å²	7	32.7 Å²	32.7	3%	0.033	17%	0.167	C	C	.	.			trans	-135.9	177.7	170.2	-75.1	179.6	-12	0	0	108.8	R240 Y245 P251 W278 V279 F280 Y516	R240-Q276 PolarHBondContact O-NE2 3.42Å; Y245-Q276 PolarHBondContact OH-NE2 2.95Å; P251-Q276 HydrophobicContact CB-CB 3.98Å; P251-Q276 HydrophobicContact CB-CG 3.69Å; P251-Q276 HydrophobicContact CG-CG 3.75Å; Q276-W278 VanDerWaalsContact C-N 3.33Å; Q276-W278 HydrophobicContact CB-CD2 4.41Å; Q276-W278 HydrophobicContact CB-CE3 4.09Å; Q276-W278 HydrophobicContact CB-CH2 3.82Å; Q276-W278 HydrophobicContact CB-CZ2 4.04Å; Q276-W278 HydrophobicContact CB-CZ3 3.8Å; Q276-W278 HydrophobicContact CG-CH2 4.43Å; Q276-W278 PolarHBondContact O-N 3.48Å; Q276-W278 VanDerWaalsContact O-N 3.15Å; Q276-V279 WeakPolarHBondContact O-CA 3.25Å; Q276-V279 WeakPolarHBondContact O-CB 3.34Å; Q276-V279 PolarHBondContact O-N 2.88Å; Q276-F280 WeakPolarHBondContact O-CD2 3.29Å; Q276-F280 PolarHBondContact O-N 3.4Å; Q276-Y516 HydrophobicContact CB-CE1 4.22Å; Q276-Y516 HydrophobicContact CG-CE1 4.2Å; Q276-Y516 VanDerWaalsContact OE1-CE1 3.22Å
277	C	96.5	Very high	96.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-50.4	-45.9	-167.2	60.7	0	0	0	0	114.3	V279 F280 A281 W332 H335 C336 T360 Y516	C277-V279 VanDerWaalsContact C-N 3.32Å; C277-V279 PolarHBondContact O-N 3.36Å; C277-F280 PolarHBondContact O-N 2.86Å; C277-A281 WeakPolarHBondContact O-CB 3.44Å; C277-A281 PolarHBondContact O-N 2.92Å; C277-W332 HydrophobicContact CB-CZ3 4.12Å; C277-H335 VanDerWaalsContact CB-ND1 3.27Å; C277-H335 WeakPolarHBondContact CB-ND1 3.37Å; C277-C336 HydrophobicContact CB-CB 4.5Å; C277-T360 WeakPolarHBondContact CA-OG1 3.34Å; C277-T360 HydrophobicContact CB-CG2 4.12Å; C277-T360 WeakPolarHBondContact CB-OG1 3.43Å; C277-Y516 PolarHBondContact N-OH 2.88Å; C277-Y516 WeakPolarHBondContact SG-CE2 3.38Å; C277-Y516 PolarHBondContact SG-OH 3.47Å
278	W	98.4	Very high	97	Very high	3 Å²	3	22 Å²	22	1%	0.011	11%	0.114	C	C	.	.	H	α-helix	trans	-65.8	-33.2	177.3	65.9	90	0	0	0	113.4	I167 P251 M252 Q276 A282 F334 C336 Y516	I167-W278 HydrophobicContact CD1-CB 4.24Å; I167-W278 HydrophobicContact CG2-CB 3.64Å; P251-W278 HydrophobicContact CB-CZ2 4.01Å; P251-W278 PolarHBondContact O-NE1 2.88Å; M252-W278 HydrophobicContact CG-CH2 3.99Å; M252-W278 HydrophobicContact CG-CZ2 3.69Å; M252-W278 HydrophobicContact SD-CH2 3.51Å; M252-W278 VanDerWaalsContact SD-CH2 3.51Å; M252-W278 HydrophobicContact SD-CZ2 3.2Å; M252-W278 WeakPolarHBondContact SD-CZ2 3.16Å; Q276-W278 VanDerWaalsContact C-N 3.33Å; Q276-W278 HydrophobicContact CB-CD2 4.41Å; Q276-W278 HydrophobicContact CB-CE3 4.09Å; Q276-W278 HydrophobicContact CB-CH2 3.82Å; Q276-W278 HydrophobicContact CB-CZ2 4.04Å; Q276-W278 HydrophobicContact CB-CZ3 3.8Å; Q276-W278 HydrophobicContact CG-CH2 4.43Å; Q276-W278 PolarHBondContact O-N 3.48Å; Q276-W278 VanDerWaalsContact O-N 3.15Å; W278-A282 WeakPolarHBondContact O-CB 3.26Å; W278-A282 PolarHBondContact O-N 3.29Å; W278-F334 AromaticContact CE3-CE2 3.84Å; W278-F334 HydrophobicContact CE3-CE2 3.84Å; W278-F334 HydrophobicContact CE3-CZ 4.01Å; W278-F334 HydrophobicContact CZ3-CE2 4.2Å; W278-F334 AromaticContact CZ3-CZ 3.98Å; W278-F334 HydrophobicContact CZ3-CZ 3.98Å; W278-C336 HydrophobicContact CB-CB 4.12Å; W278-Y516 HydrophobicContact CE3-CE2 4.42Å; W278-Y516 HydrophobicContact CH2-CD1 4.11Å; W278-Y516 HydrophobicContact CH2-CE1 4.05Å; W278-Y516 AromaticContact CZ3-CD1 3.7Å; W278-Y516 HydrophobicContact CZ3-CD1 3.7Å; W278-Y516 HydrophobicContact CZ3-CD2 4.08Å; W278-Y516 AromaticContact CZ3-CE1 3.55Å; W278-Y516 HydrophobicContact CZ3-CE1 3.55Å; W278-Y516 AromaticContact CZ3-CE2 3.95Å; W278-Y516 HydrophobicContact CZ3-CE2 3.95Å; W278-Y516 AromaticContact CZ3-CG 3.96Å; W278-Y516 HydrophobicContact CZ3-CG 3.96Å; W278-Y516 AromaticContact CZ3-CZ 3.66Å
279	V	98.6	Very high	97.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-68.7	-44.9	177.7	-168.5	0	0	0	0	109.3	W180 L237 P251 I260 Q276 C277 A282 V283	W180-V279 HydrophobicContact CH2-CG1 4.22Å; W180-V279 HydrophobicContact CH2-CG2 4.38Å; L237-V279 HydrophobicContact CD1-CB 4.39Å; L237-V279 HydrophobicContact CD1-CG1 3.67Å; L237-V279 HydrophobicContact CD2-CG1 4.24Å; P251-V279 HydrophobicContact CB-CG2 4.34Å; I260-V279 HydrophobicContact CD1-CG1 3.47Å; I260-V279 VanDerWaalsContact CD1-CG1 3.47Å; Q276-V279 WeakPolarHBondContact O-CA 3.25Å; Q276-V279 WeakPolarHBondContact O-CB 3.34Å; Q276-V279 PolarHBondContact O-N 2.88Å; C277-V279 VanDerWaalsContact C-N 3.32Å; C277-V279 PolarHBondContact O-N 3.36Å; V279-A282 PolarHBondContact O-N 3.44Å; V279-V283 WeakPolarHBondContact O-CG2 3.43Å; V279-V283 PolarHBondContact O-N 3.5Å
280	F	98.3	Very high	97.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.5	-50.8	174.6	-59.9	-61.4	0	0	0	110.6	V228 N229 L237 W241 Q276 C277 A282 V283 A284 P359 T360	V228-F280 HydrophobicContact CG1-CB 3.82Å; V228-F280 HydrophobicContact CG1-CD1 3.86Å; V228-F280 HydrophobicContact CG1-CG 4.33Å; V228-F280 WeakPolarHBondContact CG1-O 3.3Å; N229-F280 HydrophobicContact CB-CD1 4.34Å; N229-F280 HydrophobicContact CB-CE1 4.11Å; L237-F280 HydrophobicContact CB-CD1 3.81Å; L237-F280 HydrophobicContact CB-CE1 3.41Å; L237-F280 VanDerWaalsContact CB-CE1 3.41Å; L237-F280 HydrophobicContact CB-CZ 4.46Å; L237-F280 HydrophobicContact CD1-CD1 3.82Å; L237-F280 HydrophobicContact CD1-CE1 4.22Å; L237-F280 HydrophobicContact CG-CD1 4.5Å; L237-F280 HydrophobicContact CG-CE1 4.46Å; W241-F280 HydrophobicContact CH2-CE2 4.08Å; W241-F280 HydrophobicContact CH2-CZ 4.46Å; W241-F280 HydrophobicContact CZ2-CE2 4.02Å; Q276-F280 WeakPolarHBondContact O-CD2 3.29Å; Q276-F280 PolarHBondContact O-N 3.4Å; C277-F280 PolarHBondContact O-N 2.86Å; F280-A282 VanDerWaalsContact C-N 3.3Å; F280-A282 PolarHBondContact O-N 3.5Å; F280-V283 PolarHBondContact O-N 3.48Å; F280-A284 WeakPolarHBondContact O-CB 3.4Å; F280-A284 PolarHBondContact O-N 3.08Å; F280-P359 HydrophobicContact CB-CB 4.13Å; F280-P359 HydrophobicContact CB-CG 3.8Å; F280-T360 HydrophobicContact CD2-CG2 4.21Å; F280-T360 HydrophobicContact CE2-CG2 4.44Å
281	A	98.8	Very high	97.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.1	-41.9	177.8	0	0	0	0	0	112.2	C277 A284 C285 V297 C336 V338	C277-A281 WeakPolarHBondContact O-CB 3.44Å; C277-A281 PolarHBondContact O-N 2.92Å; A281-A284 PolarHBondContact O-N 3.4Å; A281-C285 VanDerWaalsContact O-CB 3.3Å; A281-C285 WeakPolarHBondContact O-CB 3.34Å; A281-C285 PolarHBondContact O-N 3.26Å; A281-V297 HydrophobicContact CB-CG1 4.09Å; A281-C336 HydrophobicContact CB-CB 4.14Å; A281-V338 HydrophobicContact CB-CG1 3.99Å; A281-V338 WeakPolarHBondContact O-CG1 3.44Å
282	A	98.9	Very high	98.1	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-70.8	-39.2	-178.3	0	0	0	0	0	113.3	I167 W180 F182 S257 W278 V279 F280 C285 T286	I167-A282 HydrophobicContact CD1-CB 3.69Å; W180-A282 HydrophobicContact CD2-CB 3.98Å; W180-A282 VanDerWaalsContact CE2-CB 3.41Å; W180-A282 HydrophobicContact CG-CB 4.21Å; W180-A282 HydrophobicContact CZ2-CB 3.73Å; F182-A282 HydrophobicContact CE1-CB 4.15Å; S257-A282 PolarHBondContact OG-O 2.93Å; W278-A282 WeakPolarHBondContact O-CB 3.26Å; W278-A282 PolarHBondContact O-N 3.29Å; V279-A282 PolarHBondContact O-N 3.44Å; F280-A282 VanDerWaalsContact C-N 3.3Å; F280-A282 PolarHBondContact O-N 3.5Å; A282-C285 PolarHBondContact O-N 2.88Å; A282-T286 PolarHBondContact O-N 2.85Å; A282-T286 PolarHBondContact O-OG1 2.87Å
283	V	98.9	Very high	98.2	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-66.6	-42.9	173.3	174.6	0	0	0	0	110.7	V228 V236 L237 I260 L261 V279 F280 C285 T286 V287	V228-V283 HydrophobicContact CG1-CB 4.43Å; V228-V283 HydrophobicContact CG2-CG1 4.17Å; V236-V283 HydrophobicContact CG1-CG1 4.36Å; L237-V283 HydrophobicContact CD1-CB 4.42Å; L237-V283 HydrophobicContact CD1-CG2 3.93Å; I260-V283 HydrophobicContact CB-CG2 4.32Å; I260-V283 HydrophobicContact CD1-CG2 3.87Å; I260-V283 HydrophobicContact CG2-CG2 4.05Å; L261-V283 HydrophobicContact CD2-CG1 3.95Å; L261-V283 HydrophobicContact CG-CG1 4.28Å; V279-V283 WeakPolarHBondContact O-CG2 3.43Å; V279-V283 PolarHBondContact O-N 3.5Å; F280-V283 PolarHBondContact O-N 3.48Å; V283-C285 VanDerWaalsContact C-N 3.32Å; V283-C285 PolarHBondContact O-N 2.89Å; V283-T286 WeakPolarHBondContact O-CB 3.41Å; V283-T286 PolarHBondContact O-N 3.25Å; V283-V287 HydrophobicContact CG1-CG2 4.47Å; V283-V287 WeakPolarHBondContact O-CG2 3.19Å; V283-V287 PolarHBondContact O-N 3.04Å
284	A	98.8	Very high	98.3	Very high	2 Å²	2	1.3 Å²	1.3	2%	0.017	1%	0.006	C	C	.	.	H	α-helix	trans	-58.4	-45.4	174.2	0	0	0	0	0	111.3	V224 V228 F280 A281 T286 V287 L288 V338 P359	V224-A284 HydrophobicContact CG1-CB 4.42Å; V228-A284 HydrophobicContact CG2-CB 4.03Å; F280-A284 WeakPolarHBondContact O-CB 3.4Å; F280-A284 PolarHBondContact O-N 3.08Å; A281-A284 PolarHBondContact O-N 3.4Å; A284-T286 PolarHBondContact O-N 2.86Å; A284-V287 PolarHBondContact O-N 3.38Å; A284-L288 WeakPolarHBondContact O-CB 3.36Å; A284-L288 WeakPolarHBondContact O-CD1 3.35Å; A284-L288 WeakPolarHBondContact O-CG 3.44Å; A284-L288 PolarHBondContact O-N 3.41Å; A284-V338 HydrophobicContact CB-CG1 4.29Å; A284-V338 HydrophobicContact CB-CG2 4.45Å; A284-P359 HydrophobicContact CB-CB 4.2Å; A284-P359 HydrophobicContact CB-CG 3.95Å
285	C	98.9	Very high	98.4	Very high	0 Å²	0	1 Å²	1	0%	0	0%	0.004	C	C	.	.	H	α-helix	trans	-59.4	-46.8	176.2	-170.8	0	0	0	0	111.6	F182 A281 A282 V283 V287 L288 R289 T295 V297 V338	F182-C285 HydrophobicContact CD1-CB 4.17Å; F182-C285 HydrophobicContact CE1-CB 3.8Å; A281-C285 VanDerWaalsContact O-CB 3.3Å; A281-C285 WeakPolarHBondContact O-CB 3.34Å; A281-C285 PolarHBondContact O-N 3.26Å; A282-C285 PolarHBondContact O-N 2.88Å; V283-C285 VanDerWaalsContact C-N 3.32Å; V283-C285 PolarHBondContact O-N 2.89Å; C285-V287 PolarHBondContact O-N 2.69Å; C285-L288 PolarHBondContact O-N 2.81Å; C285-R289 WeakPolarHBondContact O-CB 3.48Å; C285-R289 VanDerWaalsContact O-CG 3.25Å; C285-R289 WeakPolarHBondContact O-CG 3.33Å; C285-R289 PolarHBondContact O-N 2.88Å; C285-R289 PolarHBondContact SG-NE 3.02Å; C285-R289 VanDerWaalsContact SG-NE 3.38Å; C285-T295 HydrophobicContact CB-CG2 4.26Å; C285-T295 PolarHBondContact SG-O 2.71Å; C285-V297 HydrophobicContact CB-CG2 3.68Å; C285-V338 HydrophobicContact CB-CG1 3.99Å
286	T	98.9	Very high	98.5	Very high	0 Å²	0	1.4 Å²	1.4	0%	0	1%	0.006	C	C	.	.	H	α-helix	trans	-54.8	-51	174.6	-69.2	0	0	0	0	111.8	F182 Q184 I189 S257 L261 A282 V283 A284 L288 R289 C290	F182-T286 VanDerWaalsContact CA-OG1 3.25Å; F182-T286 WeakPolarHBondContact CA-OG1 3.49Å; F182-T286 WeakPolarHBondContact CB-OG1 3.35Å; F182-T286 WeakPolarHBondContact O-CG2 3.32Å; F182-T286 PolarHBondContact O-OG1 3.17Å; Q184-T286 HydrophobicContact CB-CG2 4.22Å; I189-T286 HydrophobicContact CG2-CG2 4.25Å; S257-T286 WeakPolarHBondContact CB-OG1 3.28Å; S257-T286 PolarHBondContact OG-OG1 3.09Å; L261-T286 HydrophobicContact CD1-CG2 3.77Å; A282-T286 PolarHBondContact O-N 2.85Å; A282-T286 PolarHBondContact O-OG1 2.87Å; V283-T286 WeakPolarHBondContact O-CB 3.41Å; V283-T286 PolarHBondContact O-N 3.25Å; A284-T286 PolarHBondContact O-N 2.86Å; T286-L288 PolarHBondContact O-N 3.12Å; T286-R289 PolarHBondContact O-N 3.48Å; T286-C290 VanDerWaalsContact O-CB 3.23Å; T286-C290 WeakPolarHBondContact O-CB 3.48Å; T286-C290 PolarHBondContact O-N 2.94Å
287	V	98.9	Very high	98.7	Very high	0 Å²	0	1.4 Å²	1.4	0%	0	1%	0.007	C	C	.	.	H	α-helix	trans	-63.1	-45.7	-178	175.7	0	0	0	0	110.6	C193 L196 V224 L261 V283 A284 C285 C290 L291	C193-V287 HydrophobicContact CB-CG1 4.22Å; L196-V287 HydrophobicContact CD1-CG2 4.14Å; V224-V287 HydrophobicContact CB-CG1 4.45Å; V224-V287 HydrophobicContact CG1-CB 3.94Å; V224-V287 HydrophobicContact CG1-CG1 3.81Å; V224-V287 HydrophobicContact CG2-CG1 3.7Å; L261-V287 HydrophobicContact CD1-CG2 4.37Å; L261-V287 HydrophobicContact CD2-CG2 4.27Å; V283-V287 HydrophobicContact CG1-CG2 4.47Å; V283-V287 WeakPolarHBondContact O-CG2 3.19Å; V283-V287 PolarHBondContact O-N 3.04Å; A284-V287 PolarHBondContact O-N 3.38Å; C285-V287 PolarHBondContact O-N 2.69Å; V287-C290 WeakPolarHBondContact O-CB 3.46Å; V287-C290 PolarHBondContact O-N 2.9Å; V287-L291 HydrophobicContact CG1-CD1 3.99Å; V287-L291 HydrophobicContact CG1-CG 4.49Å; V287-L291 VanDerWaalsContact O-CG 3.26Å; V287-L291 WeakPolarHBondContact O-CG 3.48Å; V287-L291 PolarHBondContact O-N 3.47Å
288	L	98.9	Very high	98.8	Very high	2 Å²	2	1.4 Å²	1.4	1%	0.01	1%	0.007	C	C	.	.	H	α-helix	trans	-67.1	-41.7	-178.1	-65.7	164.8	0	0	0	112.1	V224 A284 C285 T286 L291 G292 I293 T295 V338 L357	V224-L288 HydrophobicContact CB-CD2 4.11Å; V224-L288 HydrophobicContact CG1-CD2 4.26Å; V224-L288 HydrophobicContact CG1-CG 4.12Å; V224-L288 HydrophobicContact CG2-CD2 4.12Å; A284-L288 WeakPolarHBondContact O-CB 3.36Å; A284-L288 WeakPolarHBondContact O-CD1 3.35Å; A284-L288 WeakPolarHBondContact O-CG 3.44Å; A284-L288 PolarHBondContact O-N 3.41Å; C285-L288 PolarHBondContact O-N 2.81Å; T286-L288 PolarHBondContact O-N 3.12Å; L288-L291 PolarHBondContact O-N 3.43Å; L288-G292 PolarHBondContact O-N 2.99Å; L288-G292 VanDerWaalsContact O-N 3.16Å; L288-I293 CarbonylContact C-O 3.56Å; L288-I293 HydrophobicContact CB-CB 4.37Å; L288-I293 HydrophobicContact CD2-CD1 3.93Å; L288-I293 PolarHBondContact O-N 2.87Å; L288-T295 HydrophobicContact CB-CG2 4.18Å; L288-T295 VanDerWaalsContact CB-OG1 3.29Å; L288-T295 WeakPolarHBondContact CB-OG1 3.28Å; L288-T295 HydrophobicContact CD1-CG2 3.92Å; L288-V338 HydrophobicContact CD1-CG2 4.03Å; L288-L357 HydrophobicContact CD1-CD1 4.3Å
289	R	98.9	Very high	98.9	Very high	6 Å²	6	1.3 Å²	1.3	2%	0.023	1%	0.006	C	C	.	.	H	α-helix	trans	-61.1	-44.6	172.1	-71.9	-169.6	179.9	-160	-5.2	111.8	E158 Y159 T162 Q184 C285 T286 L291 G292 T295	E158-R289 PolarHBondContact O-NH1 3.44Å; E158-R289 PolarHBondContact O-NH2 2.75Å; E158-R289 VanDerWaalsContact O-NH2 3.17Å; Y159-R289 VanDerWaalsContact O-CG 3.32Å; Y159-R289 WeakPolarHBondContact O-CG 3.31Å; Y159-R289 PolarHBondContact O-NE 3.16Å; T162-R289 PolarHBondContact O-NH1 2.83Å; Q184-R289 HydrophobicContact CB-CB 4.34Å; Q184-R289 HydrophobicContact CG-CB 4.01Å; C285-R289 WeakPolarHBondContact O-CB 3.48Å; C285-R289 VanDerWaalsContact O-CG 3.25Å; C285-R289 WeakPolarHBondContact O-CG 3.33Å; C285-R289 PolarHBondContact O-N 2.88Å; C285-R289 PolarHBondContact SG-NE 3.02Å; C285-R289 VanDerWaalsContact SG-NE 3.38Å; T286-R289 PolarHBondContact O-N 3.48Å; R289-L291 PolarHBondContact O-N 2.84Å; R289-G292 PolarHBondContact O-N 2.9Å; R289-T295 VanDerWaalsContact CZ-O 3.29Å; R289-T295 PolarHBondContact NE-O 3.03Å; R289-T295 PolarHBondContact NH2-O 3.43Å
290	C	98.9	Very high	98.9	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.006	C	C	.	.	H	α-helix	trans	-57.7	-39.5	176.7	-169.9	0	0	0	0	112	L138 Q184 L190 T286 V287 G292	L138-C290 WeakPolarHBondContact CD1-O 3.19Å; Q184-C290 HydrophobicContact CB-CB 3.81Å; Q184-C290 PolarHBondContact O-SG 3.32Å; Q184-C290 VanDerWaalsContact O-SG 3.33Å; L190-C290 VanDerWaalsContact CA-SG 3.51Å; T286-C290 VanDerWaalsContact O-CB 3.23Å; T286-C290 WeakPolarHBondContact O-CB 3.48Å; T286-C290 PolarHBondContact O-N 2.94Å; V287-C290 WeakPolarHBondContact O-CB 3.46Å; V287-C290 PolarHBondContact O-N 2.9Å; C290-G292 VanDerWaalsContact C-N 3.25Å; C290-G292 PolarHBondContact O-N 3.02Å
291	L	98.9	Very high	98.8	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.006	C	C	.	.	H	α-helix	trans	-79.4	-7.2	178.9	-63.7	176.2	0	0	0	113.2	I112 F139 C193 L194 L197 V220 V224 V287 L288 R289	I112-L291 HydrophobicContact CD1-CB 4.16Å; I112-L291 HydrophobicContact CD1-CD1 4.23Å; I112-L291 HydrophobicContact CD1-CD2 3.98Å; I112-L291 HydrophobicContact CD1-CG 4.34Å; F139-L291 WeakPolarHBondContact CB-O 3.12Å; F139-L291 WeakPolarHBondContact CD2-O 3.26Å; F139-L291 PolarHBondContact N-O 2.89Å; C193-L291 HydrophobicContact CB-CD2 4.27Å; L194-L291 HydrophobicContact CD2-CD2 4.23Å; L197-L291 HydrophobicContact CD1-CD1 4Å; L197-L291 HydrophobicContact CD1-CD2 4.39Å; V220-L291 HydrophobicContact CG1-CD1 3.72Å; V224-L291 HydrophobicContact CG2-CD1 4.41Å; V287-L291 HydrophobicContact CG1-CD1 3.99Å; V287-L291 HydrophobicContact CG1-CG 4.49Å; V287-L291 VanDerWaalsContact O-CG 3.26Å; V287-L291 WeakPolarHBondContact O-CG 3.48Å; V287-L291 PolarHBondContact O-N 3.47Å; L288-L291 PolarHBondContact O-N 3.43Å; R289-L291 PolarHBondContact O-N 2.84Å
292	G	98.9	Very high	98.6	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.01	C	C	.	.	T	Hydrogen-bonded Turn	trans	93	10.7	177.5	0	0	0	0	0	115.3	L288 R289 C290	L288-G292 PolarHBondContact O-N 2.99Å; L288-G292 VanDerWaalsContact O-N 3.16Å; R289-G292 PolarHBondContact O-N 2.9Å; C290-G292 VanDerWaalsContact C-N 3.25Å; C290-G292 PolarHBondContact O-N 3.02Å
293	I	98.9	Very high	98.3	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.011	C	C	.	.			trans	-87.6	116.6	175.1	-56.2	178.7	0	0	0	108.3	F139 V148 P217 V220 L288 T295 M342	F139-I293 HydrophobicContact CB-CG1 4.34Å; F139-I293 HydrophobicContact CD2-CD1 3.87Å; F139-I293 HydrophobicContact CD2-CG1 3.43Å; F139-I293 VanDerWaalsContact CD2-CG1 3.43Å; F139-I293 HydrophobicContact CE2-CD1 3.69Å; F139-I293 HydrophobicContact CE2-CG1 3.82Å; F139-I293 HydrophobicContact CG-CG1 3.89Å; F139-I293 HydrophobicContact CZ-CD1 4.3Å; V148-I293 HydrophobicContact CG1-CG1 4.36Å; V148-I293 HydrophobicContact CG1-CG2 4.28Å; P217-I293 HydrophobicContact CB-CD1 3.96Å; P217-I293 HydrophobicContact CB-CG1 4.37Å; V220-I293 HydrophobicContact CB-CD1 4.22Å; V220-I293 HydrophobicContact CG1-CD1 4.02Å; L288-I293 CarbonylContact C-O 3.56Å; L288-I293 HydrophobicContact CB-CB 4.37Å; L288-I293 HydrophobicContact CD2-CD1 3.93Å; L288-I293 PolarHBondContact O-N 2.87Å; I293-T295 PolarHBondContact O-N 3.12Å; I293-T295 VanDerWaalsContact O-N 3.12Å; I293-T295 PolarHBondContact O-OG1 3.3Å; I293-M342 HydrophobicContact CG2-CE 4.06Å
294	P	98.9	Very high	97.8	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.011	C	C	.	.			trans	-59.3	120	178.6	-17.5	28.5	0	0	0	110.4	A141 L150 Y159 V160 S340 W341	A141-P294 HydrophobicContact CB-CG 3.73Å; L150-P294 HydrophobicContact CD1-CB 3.45Å; L150-P294 VanDerWaalsContact CD1-CB 3.45Å; L150-P294 HydrophobicContact CD1-CG 3.64Å; L150-P294 HydrophobicContact CG-CB 4.4Å; L150-P294 HydrophobicContact CG-CG 4.19Å; Y159-P294 WeakPolarHBondContact O-CA 3.37Å; V160-P294 HydrophobicContact CG2-CB 3.9Å; V160-P294 HydrophobicContact CG2-CG 3.77Å; P294-S340 CarbonylContact O-C 3.58Å; P294-S340 WeakPolarHBondContact O-CA 3.42Å; P294-W341 HydrophobicContact CB-CB 4.06Å; P294-W341 HydrophobicContact CG-CB 4.38Å; P294-W341 PolarHBondContact O-N 2.9Å
295	T	98.9	Very high	96.7	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.014	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	139.7	-170.5	-57	0	0	0	0	111.4	Y159 C285 L288 R289 I293 V338 E339 S340	Y159-T295 PolarHBondContact O-N 3.21Å; C285-T295 HydrophobicContact CB-CG2 4.26Å; C285-T295 PolarHBondContact SG-O 2.71Å; L288-T295 HydrophobicContact CB-CG2 4.18Å; L288-T295 VanDerWaalsContact CB-OG1 3.29Å; L288-T295 WeakPolarHBondContact CB-OG1 3.28Å; L288-T295 HydrophobicContact CD1-CG2 3.92Å; R289-T295 VanDerWaalsContact CZ-O 3.29Å; R289-T295 PolarHBondContact NE-O 3.03Å; R289-T295 PolarHBondContact NH2-O 3.43Å; I293-T295 PolarHBondContact O-N 3.12Å; I293-T295 VanDerWaalsContact O-N 3.12Å; I293-T295 PolarHBondContact O-OG1 3.3Å; T295-V338 HydrophobicContact CG2-CB 3.76Å; T295-V338 HydrophobicContact CG2-CG1 4.32Å; T295-V338 HydrophobicContact CG2-CG2 4.01Å; T295-E339 CarbonylContact C-O 3.55Å; T295-E339 VanDerWaalsContact CA-O 3.24Å; T295-E339 WeakPolarHBondContact CA-O 3.34Å; T295-E339 WeakPolarHBondContact CG2-O 3.36Å; T295-S340 WeakPolarHBondContact CG2-OG 3.49Å; T295-S340 PolarHBondContact OG1-OG 3.35Å
296	R	98.9	Very high	95.1	Very high	10 Å²	10	2.9 Å²	2.9	4%	0.038	2%	0.015	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.2	175.4	64.1	-171.9	-175.6	175.3	1.3	111.5	Y159 V298 V338 E339 W354	Y159-R296 HydrophobicContact CD1-CB 3.85Å; Y159-R296 HydrophobicContact CE1-CB 3.82Å; Y159-R296 HydrophobicContact CE1-CG 4.32Å; Y159-R296 PolarHBondContact OH-NH1 3.13Å; R296-V298 HydrophobicContact CG-CG2 4.43Å; R296-V338 CarbonylContact O-C 3.59Å; R296-V338 WeakPolarHBondContact O-CA 3.47Å; R296-E339 HydrophobicContact CG-CB 4.04Å; R296-E339 IonicContact CZ-OE2 3.02Å; R296-E339 PolarHBondContact N-O 3.33Å; R296-E339 IonicContact NE-OE2 2.91Å; R296-E339 PolarHBondContact NE-OE2 3.15Å; R296-E339 IonicContact NH2-OE2 3.33Å; R296-E339 PolarHBondContact NH2-OE2 2.9Å; R296-E339 PolarHBondContact O-N 3.16Å; R296-W354 HydrophobicContact CG-CE3 4.47Å; R296-W354 HydrophobicContact CG-CH2 4.1Å; R296-W354 HydrophobicContact CG-CZ3 4.02Å
297	V	98.9	Very high	93.3	Very high	7 Å²	7	9.5 Å²	9.5	4%	0.042	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	136.5	172.6	179.3	0	0	0	0	108.8	I167 F182 A281 C285 V338 T428	I167-V297 HydrophobicContact CG1-CG1 4.36Å; I167-V297 HydrophobicContact CG2-CG1 4.22Å; F182-V297 HydrophobicContact CE1-CG2 3.84Å; F182-V297 HydrophobicContact CZ-CG2 3.87Å; A281-V297 HydrophobicContact CB-CG1 4.09Å; C285-V297 HydrophobicContact CB-CG2 3.68Å; V297-V338 HydrophobicContact CG2-CG1 4.26Å; V297-T428 WeakPolarHBondContact O-CB 3.23Å; V297-T428 PolarHBondContact O-OG1 3.45Å
298	V	98.9	Very high	91.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	144.6	179	175.4	0	0	0	0	109.4	R296 C336 W337 E339 I426 S427 I439	R296-V298 HydrophobicContact CG-CG2 4.43Å; V298-C336 VanDerWaalsContact O-CA 3.24Å; V298-C336 WeakPolarHBondContact O-CA 3.49Å; V298-W337 HydrophobicContact CG1-CZ2 3.97Å; V298-W337 PolarHBondContact N-O 2.91Å; V298-W337 PolarHBondContact O-N 2.84Å; V298-W337 VanDerWaalsContact O-N 3.16Å; V298-E339 HydrophobicContact CG2-CB 4.26Å; V298-E339 HydrophobicContact CG2-CG 3.69Å; V298-I426 HydrophobicContact CG1-CG2 3.41Å; V298-I426 VanDerWaalsContact CG1-CG2 3.41Å; V298-S427 WeakPolarHBondContact CA-O 3.47Å; V298-I439 HydrophobicContact CG1-CD1 3.97Å; V298-I439 HydrophobicContact CG2-CD1 3.77Å
299	T	98.9	Very high	90.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.5	174.4	-51.8	0	0	0	0	109.8	Y168 Y301 F334 H335 I426 S427	Y168-T299 PolarHBondContact N-OG1 2.95Å; Y168-T299 WeakPolarHBondContact O-CG2 3.25Å; Y168-T299 PolarHBondContact O-OG1 3.11Å; T299-Y301 HydrophobicContact CG2-CD2 4.39Å; T299-Y301 HydrophobicContact CG2-CE1 4.5Å; T299-Y301 HydrophobicContact CG2-CE2 3.85Å; T299-F334 HydrophobicContact CG2-CB 3.94Å; T299-F334 HydrophobicContact CG2-CD2 4.04Å; T299-F334 HydrophobicContact CG2-CG 4.27Å; T299-H335 CarbonylContact C-O 3.54Å; T299-H335 WeakPolarHBondContact CA-O 3.35Å; T299-I426 CarbonylContact O-C 3.55Å; T299-I426 VanDerWaalsContact O-CA 3.24Å; T299-I426 WeakPolarHBondContact O-CA 3.26Å; T299-S427 PolarHBondContact N-O 3.41Å; T299-S427 PolarHBondContact O-N 3.05Å
300	N	98.4	Very high	88.7	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.3	171.4	179.4	32.3	0	0	0	110.1	S303 F334 H335 W337 E396 G423 I426	N300-S303 WeakPolarHBondContact ND2-CA 3.16Å; N300-S303 WeakPolarHBondContact ND2-CB 3.26Å; N300-S303 PolarHBondContact ND2-OG 2.74Å; N300-F334 CarbonylContact O-C 3.46Å; N300-F334 WeakPolarHBondContact O-CA 3.43Å; N300-F334 WeakPolarHBondContact O-CB 3.19Å; N300-H335 PolarHBondContact N-O 3.38Å; N300-H335 PolarHBondContact O-N 3.37Å; N300-W337 HydrophobicContact CB-CH2 3.35Å; N300-W337 HydrophobicContact CB-CZ2 4.25Å; N300-W337 HydrophobicContact CB-CZ3 3.54Å; N300-E396 PolarHBondContact ND2-O 3.09Å; N300-G423 WeakPolarHBondContact OD1-CA 3.36Å; N300-I426 HydrophobicContact CB-CG1 4.41Å; N300-I426 WeakPolarHBondContact OD1-CG1 3.42Å
301	Y	97.3	Very high	87.8	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	147.4	175.6	-63.3	-94.9	0	0	0	111.1	Y168 Q169 S171 A172 I175 T299 S303 N333 F334 L424 K425	Y168-Y301 WeakPolarHBondContact CB-OH 3.48Å; Q169-Y301 PolarHBondContact N-OH 2.81Å; Q169-Y301 PolarHBondContact O-OH 3.07Å; S171-Y301 VanDerWaalsContact C-CD1 3.47Å; A172-Y301 HydrophobicContact CB-CD1 4.42Å; A172-Y301 HydrophobicContact CB-CG 4.17Å; A172-Y301 VanDerWaalsContact N-CD1 3.33Å; I175-Y301 HydrophobicContact CD1-CE2 4.04Å; I175-Y301 HydrophobicContact CG1-CE1 4.32Å; I175-Y301 HydrophobicContact CG1-CE2 4.01Å; I175-Y301 VanDerWaalsContact CG2-OH 3.32Å; I175-Y301 WeakPolarHBondContact CG2-OH 3.46Å; T299-Y301 HydrophobicContact CG2-CD2 4.39Å; T299-Y301 HydrophobicContact CG2-CE1 4.5Å; T299-Y301 HydrophobicContact CG2-CE2 3.85Å; Y301-S303 VanDerWaalsContact C-N 3.33Å; Y301-N333 WeakPolarHBondContact CA-O 3.49Å; Y301-F334 HydrophobicContact CD1-CB 3.77Å; Y301-F334 HydrophobicContact CE1-CB 3.99Å; Y301-F334 HydrophobicContact CG-CB 4.33Å; Y301-L424 WeakPolarHBondContact CB-O 3.35Å; Y301-L424 PolarHBondContact N-O 2.8Å; Y301-L424 PolarHBondContact O-N 3.48Å; Y301-K425 HydrophobicContact CD2-CB 3.94Å; Y301-K425 WeakPolarHBondContact CD2-O 3.5Å; Y301-K425 HydrophobicContact CE2-CB 4.49Å
302	N	94.5	Very high	87	Confident	15 Å²	15	21.7 Å²	21.7	8%	0.08	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51.9	55	-168.2	-60.5	-10.5	0	0	0	110.1	A304 I331 W332 N333 L420 T421 V422 G423	N302-A304 PolarHBondContact O-N 3.5Å; N302-I331 HydrophobicContact CB-CG2 4.01Å; N302-W332 CarbonylContact C-O 3.55Å; N302-W332 VanDerWaalsContact CA-O 3.23Å; N302-W332 WeakPolarHBondContact CA-O 3.32Å; N302-W332 PolarHBondContact N-O 3.41Å; N302-N333 PolarHBondContact N-O 2.88Å; N302-L420 HydrophobicContact CB-CD1 4.34Å; N302-T421 WeakPolarHBondContact CB-O 3.37Å; N302-T421 PolarHBondContact ND2-O 3.07Å; N302-V422 VanDerWaalsContact O-CA 3.28Å; N302-V422 WeakPolarHBondContact O-CA 3.24Å; N302-V422 WeakPolarHBondContact O-CG1 3.31Å; N302-G423 PolarHBondContact O-N 3.26Å; N302-G423 VanDerWaalsContact O-N 3.12Å
303	S	93.5	Very high	86.3	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.014	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	123.6	180	-146.9	0	0	0	0	109	N300 Y301 W332 E396	N300-S303 WeakPolarHBondContact ND2-CA 3.16Å; N300-S303 WeakPolarHBondContact ND2-CB 3.26Å; N300-S303 PolarHBondContact ND2-OG 2.74Å; Y301-S303 VanDerWaalsContact C-N 3.33Å; S303-W332 PolarHBondContact N-O 3.15Å; S303-W332 PolarHBondContact O-N 2.86Å; S303-E396 PolarHBondContact OG-OE2 2.97Å
304	A	88.3	Confident	85.6	Confident	2 Å²	2	26.4 Å²	26.4	2%	0.017	14%	0.137	C	C	.	.			trans	-76.1	141.2	173.8	0	0	0	0	0	110.1	N302 I313 I331 A395 E396 A399 V422	N302-A304 PolarHBondContact O-N 3.5Å; A304-I313 HydrophobicContact CB-CD1 3.6Å; A304-I331 HydrophobicContact CB-CD1 3.98Å; A304-A395 WeakPolarHBondContact CB-O 3.37Å; A304-E396 PolarHBondContact N-O 2.91Å; A304-E396 VanDerWaalsContact N-O 3.15Å; A304-E396 VanDerWaalsContact O-CA 3.31Å; A304-E396 WeakPolarHBondContact O-CA 3.21Å; A304-E396 WeakPolarHBondContact O-CG 3.24Å; A304-A399 HydrophobicContact CB-CB 3.59Å; A304-V422 HydrophobicContact CB-CG1 3.58Å; A304-V422 HydrophobicContact CB-CG2 4.11Å
305	H	74.4	Confident	85	Confident	13 Å²	13	26.6 Å²	26.6	6%	0.06	14%	0.138	C	C	.	.			trans	-114.1	93.6	166.1	-170.8	-99.5	0	0	0	106.7	E329 Q362 F392	H305-E329 IonicContact CE1-OE1 2.72Å; H305-E329 PolarHBondContact CE1-OE1 3.31Å; H305-E329 IonicContact CE1-OE2 2.76Å; H305-E329 IonicContact CG-OE2 3.15Å; H305-E329 IonicContact ND1-OE1 3.87Å; H305-E329 PolarHBondContact ND1-OE1 2.96Å; H305-E329 IonicContact ND1-OE2 3.98Å; H305-E329 PolarHBondContact ND1-OE2 2.98Å; H305-Q362 WeakPolarHBondContact NE2-CB 3.32Å; H305-Q362 VanDerWaalsContact NE2-CG 3.35Å; H305-Q362 WeakPolarHBondContact NE2-CG 3.09Å; H305-F392 AromaticContact CD2-CE2 3.9Å; H305-F392 AromaticContact CD2-CZ 3.94Å; H305-F392 AromaticContact NE2-CE2 3.96Å
306	D	65	Low	84.5	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.021	16%	0.156	C	C	.	.			trans	-97.3	97.6	-178	-179.9	10.4	0	0	0	110.4	N308 S309 N310 L311 A395	D306-N308 VanDerWaalsContact C-N 3.28Å; D306-N308 PolarHBondContact O-N 2.89Å; D306-N308 PolarHBondContact OD1-N 3.41Å; D306-N308 PolarHBondContact OD1-OD1 2.86Å; D306-S309 PolarHBondContact OD1-N 3.11Å; D306-S309 WeakPolarHBondContact OD2-CA 3.48Å; D306-S309 PolarHBondContact OD2-N 3.27Å; D306-N310 PolarHBondContact OD2-N 2.93Å; D306-N310 VanDerWaalsContact OD2-N 3.15Å; D306-L311 WeakPolarHBondContact OD2-CA 3.32Å; D306-L311 PolarHBondContact OD2-N 3.49Å; D306-A395 HydrophobicContact CB-CB 3.69Å
307	Q	61.3	Low	84.1	Confident	138 Å²	138	30.3 Å²	30.3	65%	0.645	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-12.6	-180	-74.7	-169.6	1.1	0	0	115	E329	Q307-E329 VanDerWaalsContact CD-CD 3.49Å; Q307-E329 VanDerWaalsContact CG-OE2 3.29Å; Q307-E329 WeakPolarHBondContact CG-OE2 3.28Å; Q307-E329 PolarHBondContact NE2-OE1 3.42Å; Q307-E329 PolarHBondContact NE2-OE2 3.43Å
308	N	66.1	Low	83.7	Confident	100 Å²	100	31.2 Å²	31.2	54%	0.535	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-2.7	-176.8	72.4	32.7	0	0	0	113	D306 N310	D306-N308 VanDerWaalsContact C-N 3.28Å; D306-N308 PolarHBondContact O-N 2.89Å; D306-N308 PolarHBondContact OD1-N 3.41Å; D306-N308 PolarHBondContact OD1-OD1 2.86Å; N308-N310 PolarHBondContact ND2-ND2 3.31Å; N308-N310 PolarHBondContact O-N 3.06Å; N308-N310 VanDerWaalsContact O-N 3.14Å; N308-N310 WeakPolarHBondContact OD1-CB 3.47Å; N308-N310 PolarHBondContact OD1-N 3.21Å; N308-N310 PolarHBondContact OD1-ND2 2.84Å; N308-N310 PolarHBondContact OD1-OD1 2.9Å
309	S	66.4	Low	83	Confident	52 Å²	52	34.1 Å²	34.1	36%	0.364	17%	0.173	S	C	.	.			trans	55.6	24.2	178.5	-47.1	0	0	0	0	114.5	D306 L311	D306-S309 PolarHBondContact OD1-N 3.11Å; D306-S309 WeakPolarHBondContact OD2-CA 3.48Å; D306-S309 PolarHBondContact OD2-N 3.27Å; S309-L311 VanDerWaalsContact C-N 3.33Å
310	N	69.4	Low	82.3	Confident	77 Å²	77	38.1 Å²	38.1	41%	0.412	19%	0.19	S	C	.	.	S	Bend	trans	-89.8	0	177.7	79.5	1.9	0	0	0	113	D306 N308 L312	D306-N310 PolarHBondContact OD2-N 2.93Å; D306-N310 VanDerWaalsContact OD2-N 3.15Å; N308-N310 PolarHBondContact ND2-ND2 3.31Å; N308-N310 PolarHBondContact O-N 3.06Å; N308-N310 VanDerWaalsContact O-N 3.14Å; N308-N310 WeakPolarHBondContact OD1-CB 3.47Å; N308-N310 PolarHBondContact OD1-N 3.21Å; N308-N310 PolarHBondContact OD1-ND2 2.84Å; N308-N310 PolarHBondContact OD1-OD1 2.9Å; N310-L312 PolarHBondContact O-N 3.23Å; N310-L312 WeakPolarHBondContact OD1-CA 3.39Å; N310-L312 WeakPolarHBondContact OD1-CB 3.44Å; N310-L312 PolarHBondContact OD1-N 2.92Å; N310-L312 PolarHBondContact OD1-O 3.29Å
311	L	79.9	Confident	81.7	Confident	8 Å²	8	38.1 Å²	38.1	4%	0.042	19%	0.19	C	C	.	.	S	Bend	trans	62.6	15.6	179.3	-51.5	175.4	0	0	0	114.2	D306 S309 F394 A395 A399 D400 H461	D306-L311 WeakPolarHBondContact OD2-CA 3.32Å; D306-L311 PolarHBondContact OD2-N 3.49Å; S309-L311 VanDerWaalsContact C-N 3.33Å; L311-F394 HydrophobicContact CD1-CD1 4.08Å; L311-F394 HydrophobicContact CD1-CE1 3.9Å; L311-F394 HydrophobicContact CD2-CD1 3.8Å; L311-F394 HydrophobicContact CD2-CE1 4.36Å; L311-A395 HydrophobicContact CD2-CB 3.57Å; L311-A399 WeakPolarHBondContact O-CA 3.42Å; L311-D400 PolarHBondContact O-N 3.25Å; L311-H461 HydrophobicContact CD1-CB 3.7Å; L311-H461 PolarHBondContact O-CE1 3.03Å; L311-H461 PolarHBondContact O-NE2 3.19Å
312	L	82.2	Confident	81.1	Confident	27 Å²	27	40.7 Å²	40.7	14%	0.141	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	111.1	-178.3	178.4	68.8	0	0	0	110.4	N310 E314 D400 V402	N310-L312 PolarHBondContact O-N 3.23Å; N310-L312 WeakPolarHBondContact OD1-CA 3.39Å; N310-L312 WeakPolarHBondContact OD1-CB 3.44Å; N310-L312 PolarHBondContact OD1-N 2.92Å; N310-L312 PolarHBondContact OD1-O 3.29Å; L312-E314 HydrophobicContact CD1-CG 4.48Å; L312-E314 HydrophobicContact CD2-CG 3.93Å; L312-E314 HydrophobicContact CG-CG 3.89Å; L312-D400 HydrophobicContact CD1-CB 4.1Å; L312-V402 HydrophobicContact CD1-CB 4.23Å; L312-V402 HydrophobicContact CD1-CG2 3.53Å
313	I	82.6	Confident	80.7	Confident	17 Å²	17	41.6 Å²	41.6	9%	0.087	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	119.4	173.3	-62.1	173.1	0	0	0	108.4	A304 Y315 I331 A399 D400 V401 V402	A304-I313 HydrophobicContact CB-CD1 3.6Å; I313-Y315 HydrophobicContact CG2-CD2 4.49Å; I313-Y315 HydrophobicContact CG2-CE1 4.17Å; I313-Y315 HydrophobicContact CG2-CE2 3.87Å; I313-I331 HydrophobicContact CD1-CD1 3.46Å; I313-I331 VanDerWaalsContact CD1-CD1 3.46Å; I313-I331 HydrophobicContact CG2-CD1 4.49Å; I313-A399 HydrophobicContact CD1-CB 4.2Å; I313-D400 PolarHBondContact N-O 2.88Å; I313-V401 HydrophobicContact CB-CG2 4.41Å; I313-V401 CarbonylContact O-C 3.53Å; I313-V401 WeakPolarHBondContact O-CA 3.49Å; I313-V402 PolarHBondContact O-N 3.02Å
314	E	84.6	Confident	79.9	Confident	82 Å²	82	46 Å²	46	38%	0.383	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.6	179.5	-60	-172.8	94.3	0	0	110.7	L312 F316 V402 W404	L312-E314 HydrophobicContact CD1-CG 4.48Å; L312-E314 HydrophobicContact CD2-CG 3.93Å; L312-E314 HydrophobicContact CG-CG 3.89Å; E314-F316 HydrophobicContact CB-CE2 4.26Å; E314-V402 WeakPolarHBondContact CA-O 3.46Å; E314-W404 PolarHBondContact OE1-NE1 3.31Å
315	Y	86.8	Confident	78.8	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.3	171.5	-67	-59.4	0	0	0	110.3	I313 I323 E329 M330 I331 V401 V402 D403 W404	I313-Y315 HydrophobicContact CG2-CD2 4.49Å; I313-Y315 HydrophobicContact CG2-CE1 4.17Å; I313-Y315 HydrophobicContact CG2-CE2 3.87Å; Y315-I323 HydrophobicContact CD1-CD1 3.77Å; Y315-I323 HydrophobicContact CD1-CG1 4.21Å; Y315-I323 HydrophobicContact CD1-CG2 3.9Å; Y315-I323 HydrophobicContact CD2-CD1 4.49Å; Y315-I323 HydrophobicContact CE1-CD1 4.08Å; Y315-I323 HydrophobicContact CG-CD1 4Å; Y315-I323 HydrophobicContact CG-CG1 4.3Å; Y315-E329 PolarHBondContact OH-O 3.45Å; Y315-M330 HydrophobicContact CE1-SD 4.29Å; Y315-M330 WeakPolarHBondContact OH-CA 3.37Å; Y315-I331 HydrophobicContact CE2-CG1 4.22Å; Y315-I331 WeakPolarHBondContact OH-CG1 3.34Å; Y315-I331 PolarHBondContact OH-N 2.75Å; Y315-V401 HydrophobicContact CD2-CG1 3.53Å; Y315-V401 HydrophobicContact CE2-CG1 3.5Å; Y315-V401 VanDerWaalsContact CE2-CG1 3.5Å; Y315-V402 PolarHBondContact N-O 3.09Å; Y315-D403 WeakPolarHBondContact CD2-OD1 3.3Å; Y315-W404 PolarHBondContact O-N 2.82Å
316	F	88.2	Confident	78	Confident	86 Å²	86	56.1 Å²	56.1	38%	0.377	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	125.7	167.3	-63.3	-86	0	0	0	108.3	E314 I323 Q324 W404 V412	E314-F316 HydrophobicContact CB-CE2 4.26Å; F316-I323 CarbonylContact O-C 3.41Å; F316-I323 WeakPolarHBondContact O-CA 3.06Å; F316-Q324 PolarHBondContact O-N 2.98Å; F316-W404 HydrophobicContact CD1-CB 3.85Å; F316-W404 HydrophobicContact CD1-CG 4.25Å; F316-W404 HydrophobicContact CE1-CB 4.11Å; F316-W404 AromaticContact CE1-CD1 3.88Å; F316-W404 HydrophobicContact CE1-CG 4.02Å; F316-V412 HydrophobicContact CD1-CG1 4.16Å; F316-V412 HydrophobicContact CE1-CG1 4.36Å
317	R	90.6	Very high	77.5	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.008	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	149.6	-174.9	-60.9	171.2	178.6	-104.1	9.9	110.5	G321 E322 I323 D403 W404 I405 Q406 E579	R317-G321 PolarHBondContact NH1-O 2.91Å; R317-E322 CarbonylContact C-O 3.6Å; R317-E322 WeakPolarHBondContact CA-O 3.37Å; R317-E322 WeakPolarHBondContact CB-O 3.41Å; R317-I323 HydrophobicContact CG-CG1 3.92Å; R317-D403 IonicContact CZ-OD1 3.45Å; R317-D403 IonicContact NE-OD1 3.79Å; R317-D403 PolarHBondContact NE-OD1 2.94Å; R317-D403 IonicContact NH2-OD1 3.69Å; R317-D403 PolarHBondContact NH2-OD1 2.91Å; R317-D403 IonicContact NH2-OD2 3.26Å; R317-W404 WeakPolarHBondContact CB-O 3.43Å; R317-W404 PolarHBondContact N-O 3.21Å; R317-I405 HydrophobicContact CB-CD1 3.86Å; R317-Q406 WeakPolarHBondContact O-CB 3.42Å; R317-Q406 PolarHBondContact O-N 2.93Å; R317-E579 IonicContact CZ-OE1 3.1Å; R317-E579 IonicContact CZ-OE2 2.75Å; R317-E579 IonicContact NH1-OE1 2.69Å; R317-E579 PolarHBondContact NH1-OE1 3.45Å; R317-E579 IonicContact NH1-OE2 2.74Å; R317-E579 IonicContact NH2-OE1 3.73Å; R317-E579 PolarHBondContact NH2-OE1 2.95Å; R317-E579 IonicContact NH2-OE2 2.91Å; R317-E579 PolarHBondContact NH2-OE2 3.11Å; R317-E579 VanDerWaalsContact NH2-OE2 3.1Å
318	N	89.6	Confident	77.3	Confident	26 Å²	26	60.3 Å²	60.3	14%	0.139	31%	0.314	C	S	.	.			trans	-75.3	-179.8	172.9	65.3	13.2	0	0	0	112.1	F320 G321 E322 Q324	N318-F320 PolarHBondContact O-N 3Å; N318-F320 VanDerWaalsContact O-N 3.08Å; N318-F320 WeakPolarHBondContact OD1-CA 3.22Å; N318-F320 WeakPolarHBondContact OD1-CB 3.49Å; N318-F320 PolarHBondContact OD1-N 3.2Å; N318-G321 WeakPolarHBondContact O-CA 3.46Å; N318-G321 PolarHBondContact O-N 3.03Å; N318-G321 PolarHBondContact OD1-N 2.87Å; N318-G321 VanDerWaalsContact OD1-N 3.13Å; N318-E322 PolarHBondContact N-O 3.01Å; N318-E322 PolarHBondContact ND2-OE2 3.44Å; N318-E322 WeakPolarHBondContact OD1-CB 3.31Å; N318-E322 PolarHBondContact OD1-N 3.29Å; N318-E322 PolarHBondContact OD1-O 3.36Å; N318-Q324 HydrophobicContact CB-CG 3.8Å; N318-Q324 PolarHBondContact ND2-NE2 3.11Å
319	E	85.9	Confident	77.2	Confident	62 Å²	62	58.9 Å²	58.9	29%	0.29	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-19.7	175.8	59.2	169.6	180	0	0	114.4	L508 L566	E319-L508 WeakPolarHBondContact O-CD1 3.29Å; E319-L566 WeakPolarHBondContact O-CD2 3.11Å
320	F	84.4	Confident	77.5	Confident	84 Å²	84	58.5 Å²	58.5	37%	0.368	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-9.7	173.9	-58.6	-74.5	0	0	0	113.1	N318 E322 L508 R564	N318-F320 PolarHBondContact O-N 3Å; N318-F320 VanDerWaalsContact O-N 3.08Å; N318-F320 WeakPolarHBondContact OD1-CA 3.22Å; N318-F320 WeakPolarHBondContact OD1-CB 3.49Å; N318-F320 PolarHBondContact OD1-N 3.2Å; F320-E322 HydrophobicContact CB-CG 4.27Å; F320-L508 HydrophobicContact CD1-CD1 4.21Å; F320-L508 HydrophobicContact CD1-CD2 4.42Å; F320-R564 PolarHBondContact O-NH1 2.72Å; F320-R564 PolarHBondContact O-NH2 2.65Å
321	G	84.3	Confident	78.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	82.8	12.6	-174	0	0	0	0	0	114.2	R317 N318 R564	R317-G321 PolarHBondContact NH1-O 2.91Å; N318-G321 WeakPolarHBondContact O-CA 3.46Å; N318-G321 PolarHBondContact O-N 3.03Å; N318-G321 PolarHBondContact OD1-N 2.87Å; N318-G321 VanDerWaalsContact OD1-N 3.13Å; G321-R564 VanDerWaalsContact C-CZ 3.43Å; G321-R564 VanDerWaalsContact CA-NH1 3.26Å; G321-R564 VanDerWaalsContact O-CD 3.31Å; G321-R564 WeakPolarHBondContact O-CD 3.38Å; G321-R564 PolarHBondContact O-NE 3.37Å; G321-R564 PolarHBondContact O-NH1 2.92Å
322	E	86.2	Confident	78.8	Confident	54 Å²	54	56.3 Å²	56.3	25%	0.252	28%	0.283	S	S	.	.			trans	-81.8	134.8	174.6	-58.5	-173.5	132.3	0	0	110.8	R317 N318 F320 Q324 R512	R317-E322 CarbonylContact C-O 3.6Å; R317-E322 WeakPolarHBondContact CA-O 3.37Å; R317-E322 WeakPolarHBondContact CB-O 3.41Å; N318-E322 PolarHBondContact N-O 3.01Å; N318-E322 PolarHBondContact ND2-OE2 3.44Å; N318-E322 WeakPolarHBondContact OD1-CB 3.31Å; N318-E322 PolarHBondContact OD1-N 3.29Å; N318-E322 PolarHBondContact OD1-O 3.36Å; F320-E322 HydrophobicContact CB-CG 4.27Å; E322-Q324 PolarHBondContact O-N 2.79Å; E322-R512 IonicContact OE1-NH1 2.81Å; E322-R512 PolarHBondContact OE1-NH1 3.41Å; E322-R512 VanDerWaalsContact OE1-NH1 3.08Å
323	I	85.3	Confident	79.3	Confident	34 Å²	34	55.1 Å²	55.1	17%	0.174	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-64.3	126.7	178.9	-61	167.2	0	0	0	109.4	Y315 F316 R317 S328 M330	Y315-I323 HydrophobicContact CD1-CD1 3.77Å; Y315-I323 HydrophobicContact CD1-CG1 4.21Å; Y315-I323 HydrophobicContact CD1-CG2 3.9Å; Y315-I323 HydrophobicContact CD2-CD1 4.49Å; Y315-I323 HydrophobicContact CE1-CD1 4.08Å; Y315-I323 HydrophobicContact CG-CD1 4Å; Y315-I323 HydrophobicContact CG-CG1 4.3Å; F316-I323 CarbonylContact O-C 3.41Å; F316-I323 WeakPolarHBondContact O-CA 3.06Å; R317-I323 HydrophobicContact CG-CG1 3.92Å; I323-S328 WeakPolarHBondContact CG2-OG 3.29Å; I323-M330 HydrophobicContact CB-CE 3.96Å; I323-M330 HydrophobicContact CD1-CE 3.66Å; I323-M330 HydrophobicContact CD1-SD 3.44Å; I323-M330 WeakPolarHBondContact CD1-SD 3.37Å; I323-M330 HydrophobicContact CG1-CE 4.39Å; I323-M330 HydrophobicContact CG2-CE 3.95Å
324	Q	77.1	Confident	79.9	Confident	94 Å²	94	54.4 Å²	54.4	44%	0.439	27%	0.273	S	S	.	.			trans	-105.1	120.4	178.3	-68.8	-68.4	-35.9	0	0	108.5	F316 N318 E322	F316-Q324 PolarHBondContact O-N 2.98Å; N318-Q324 HydrophobicContact CB-CG 3.8Å; N318-Q324 PolarHBondContact ND2-NE2 3.11Å; E322-Q324 PolarHBondContact O-N 2.79Å
325	G	64.2	Low	80.5	Confident	52 Å²	52	50.5 Å²	50.5	54%	0.536	26%	0.255	S	S	.	.			trans	135.3	124.8	176.3	0	0	0	0	0	112.9	K327 S328	G325-K327 PolarHBondContact O-N 3.34Å; G325-K327 VanDerWaalsContact O-N 3.15Å; G325-S328 PolarHBondContact O-OG 2.95Å
326	D	58.4	Low	81.1	Confident	175 Å²	175	50.3 Å²	50.3	94%	0.936	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	3.1	179.4	-154.8	24.4	0	0	0	113.2
327	K	54.8	Low	81.6	Confident	197 Å²	197	46.3 Å²	46.3	86%	0.857	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.6	0.4	-170.4	-62.7	-174.5	179.6	-178.9	0	114.5	G325 E329	G325-K327 PolarHBondContact O-N 3.34Å; G325-K327 VanDerWaalsContact O-N 3.15Å; K327-E329 PolarHBondContact O-N 3.3Å
328	S	55.3	Low	82	Confident	33 Å²	33	46.2 Å²	46.2	23%	0.231	24%	0.237	C	C	.	.			trans	-83.3	110.9	-179.7	58.1	0	0	0	0	110.3	I323 G325 M330	I323-S328 WeakPolarHBondContact CG2-OG 3.29Å; G325-S328 PolarHBondContact O-OG 2.95Å; S328-M330 PolarHBondContact O-N 2.73Å; S328-M330 VanDerWaalsContact O-N 3.15Å
329	E	65.3	Low	82.4	Confident	71 Å²	71	45 Å²	45	33%	0.332	23%	0.23	S	C	.	.			trans	-48.3	108.6	165.8	62.6	94.5	108.6	0	0	110.3	H305 Q307 Y315 K327	H305-E329 IonicContact CE1-OE1 2.72Å; H305-E329 PolarHBondContact CE1-OE1 3.31Å; H305-E329 IonicContact CE1-OE2 2.76Å; H305-E329 IonicContact CG-OE2 3.15Å; H305-E329 IonicContact ND1-OE1 3.87Å; H305-E329 PolarHBondContact ND1-OE1 2.96Å; H305-E329 IonicContact ND1-OE2 3.98Å; H305-E329 PolarHBondContact ND1-OE2 2.98Å; Q307-E329 VanDerWaalsContact CD-CD 3.49Å; Q307-E329 VanDerWaalsContact CG-OE2 3.29Å; Q307-E329 WeakPolarHBondContact CG-OE2 3.28Å; Q307-E329 PolarHBondContact NE2-OE1 3.42Å; Q307-E329 PolarHBondContact NE2-OE2 3.43Å; Y315-E329 PolarHBondContact OH-O 3.45Å; K327-E329 PolarHBondContact O-N 3.3Å
330	M	73.1	Confident	83	Confident	44 Å²	44	42.1 Å²	42.1	22%	0.217	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-71.9	145.9	176.8	-67.3	-73.6	179.1	0	0	110.4	Y315 I323 S328 W332 G518 L520	Y315-M330 HydrophobicContact CE1-SD 4.29Å; Y315-M330 WeakPolarHBondContact OH-CA 3.37Å; I323-M330 HydrophobicContact CB-CE 3.96Å; I323-M330 HydrophobicContact CD1-CE 3.66Å; I323-M330 HydrophobicContact CD1-SD 3.44Å; I323-M330 WeakPolarHBondContact CD1-SD 3.37Å; I323-M330 HydrophobicContact CG1-CE 4.39Å; I323-M330 HydrophobicContact CG2-CE 3.95Å; S328-M330 PolarHBondContact O-N 2.73Å; S328-M330 VanDerWaalsContact O-N 3.15Å; M330-W332 PolarHBondContact O-N 3.5Å; M330-G518 WeakPolarHBondContact CG-O 2.98Å; M330-L520 HydrophobicContact CE-CD1 4.15Å
331	I	85.8	Confident	83.7	Confident	14 Å²	14	41.4 Å²	41.4	7%	0.072	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-62.8	126.9	168.1	-59.5	-52.9	0	0	0	108.1	N302 A304 I313 Y315 V401 L420 V422	N302-I331 HydrophobicContact CB-CG2 4.01Å; A304-I331 HydrophobicContact CB-CD1 3.98Å; I313-I331 HydrophobicContact CD1-CD1 3.46Å; I313-I331 VanDerWaalsContact CD1-CD1 3.46Å; I313-I331 HydrophobicContact CG2-CD1 4.49Å; Y315-I331 HydrophobicContact CE2-CG1 4.22Å; Y315-I331 WeakPolarHBondContact OH-CG1 3.34Å; Y315-I331 PolarHBondContact OH-N 2.75Å; I331-V401 HydrophobicContact CD1-CG2 3.87Å; I331-V401 HydrophobicContact CG1-CG2 4.03Å; I331-L420 HydrophobicContact CG1-CD2 4.33Å; I331-L420 HydrophobicContact CG2-CD1 4.46Å; I331-V422 HydrophobicContact CD1-CG2 4.14Å
332	W	90.6	Very high	84.4	Confident	24 Å²	24	41.4 Å²	41.4	9%	0.091	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	133.1	177.2	-70.6	35.1	0	0	0	108.7	W241 C277 N302 S303 M330 F334 H335 Y516 N517	W241-W332 AromaticContact NE1-CH2 3.97Å; C277-W332 HydrophobicContact CB-CZ3 4.12Å; N302-W332 CarbonylContact C-O 3.55Å; N302-W332 VanDerWaalsContact CA-O 3.23Å; N302-W332 WeakPolarHBondContact CA-O 3.32Å; N302-W332 PolarHBondContact N-O 3.41Å; S303-W332 PolarHBondContact N-O 3.15Å; S303-W332 PolarHBondContact O-N 2.86Å; M330-W332 PolarHBondContact O-N 3.5Å; W332-F334 PolarHBondContact O-N 2.99Å; W332-H335 HydrophobicContact CE3-CB 4.23Å; W332-H335 AromaticContact CE3-ND1 3.66Å; W332-H335 AromaticContact CZ3-ND1 3.52Å; W332-Y516 HydrophobicContact CE3-CD2 4.36Å; W332-Y516 AromaticContact CE3-CE2 3.53Å; W332-Y516 HydrophobicContact CE3-CE2 3.53Å; W332-Y516 AromaticContact CZ3-CE2 3.61Å; W332-Y516 HydrophobicContact CZ3-CE2 3.61Å; W332-Y516 AromaticContact CZ3-CZ 3.81Å; W332-Y516 VanDerWaalsContact CZ3-OH 3.28Å; W332-Y516 WeakPolarHBondContact CZ3-OH 3.37Å; W332-N517 HydrophobicContact CD2-CB 3.58Å; W332-N517 HydrophobicContact CE3-CB 3.93Å; W332-N517 HydrophobicContact CG-CB 4.02Å; W332-N517 HydrophobicContact CH2-CB 4.22Å; W332-N517 HydrophobicContact CZ2-CB 3.9Å; W332-N517 HydrophobicContact CZ3-CB 4.25Å
333	N	92.1	Very high	85	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.016	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	-40.3	177.3	-72.1	31.2	0	0	0	110.5	Y301 N302 Y516 L560 K562 D581	Y301-N333 WeakPolarHBondContact CA-O 3.49Å; N302-N333 PolarHBondContact N-O 2.88Å; N333-Y516 VanDerWaalsContact CB-O 3.27Å; N333-Y516 WeakPolarHBondContact CB-O 3.42Å; N333-Y516 PolarHBondContact N-O 2.95Å; N333-L560 HydrophobicContact CB-CD1 4.26Å; N333-K562 PolarHBondContact OD1-NZ 3Å; N333-K562 VanDerWaalsContact OD1-NZ 3.12Å; N333-D581 WeakPolarHBondContact ND2-CB 3.45Å; N333-D581 PolarHBondContact ND2-OD1 2.73Å; N333-D581 PolarHBondContact ND2-OD2 3.37Å; N333-D581 PolarHBondContact OD1-OD2 3.32Å
334	F	96.3	Very high	85.6	Confident	1 Å²	1	39.9 Å²	39.9	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	159.4	163.5	68.9	-92.1	0	0	0	111.1	Q169 W278 T299 N300 Y301 W332 Y516	Q169-F334 HydrophobicContact CB-CE1 3.9Å; Q169-F334 HydrophobicContact CB-CE2 4.26Å; Q169-F334 HydrophobicContact CB-CZ 3.76Å; Q169-F334 HydrophobicContact CG-CE1 4.33Å; Q169-F334 HydrophobicContact CG-CE2 3.84Å; Q169-F334 HydrophobicContact CG-CZ 3.66Å; W278-F334 AromaticContact CE3-CE2 3.84Å; W278-F334 HydrophobicContact CE3-CE2 3.84Å; W278-F334 HydrophobicContact CE3-CZ 4.01Å; W278-F334 HydrophobicContact CZ3-CE2 4.2Å; W278-F334 AromaticContact CZ3-CZ 3.98Å; W278-F334 HydrophobicContact CZ3-CZ 3.98Å; T299-F334 HydrophobicContact CG2-CB 3.94Å; T299-F334 HydrophobicContact CG2-CD2 4.04Å; T299-F334 HydrophobicContact CG2-CG 4.27Å; N300-F334 CarbonylContact O-C 3.46Å; N300-F334 WeakPolarHBondContact O-CA 3.43Å; N300-F334 WeakPolarHBondContact O-CB 3.19Å; Y301-F334 HydrophobicContact CD1-CB 3.77Å; Y301-F334 HydrophobicContact CE1-CB 3.99Å; Y301-F334 HydrophobicContact CG-CB 4.33Å; W332-F334 PolarHBondContact O-N 2.99Å; F334-Y516 HydrophobicContact CD1-CD2 4.44Å; F334-Y516 HydrophobicContact CD2-CD2 4.35Å; F334-Y516 HydrophobicContact CE1-CD2 4.08Å; F334-Y516 HydrophobicContact CE1-CG 4.17Å; F334-Y516 AromaticContact CE2-CD2 3.97Å; F334-Y516 HydrophobicContact CE2-CD2 3.97Å; F334-Y516 HydrophobicContact CE2-CE2 4.46Å; F334-Y516 AromaticContact CZ-CD2 3.82Å; F334-Y516 HydrophobicContact CZ-CD2 3.82Å; F334-Y516 HydrophobicContact CZ-CG 4.04Å; F334-Y516 WeakPolarHBondContact O-CD2 3.44Å
335	H	96.9	Very high	86.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	152	171.2	-175.3	52.1	0	0	0	110.5	C277 T299 N300 W332 W337 D358 T360 Q362 E396	C277-H335 VanDerWaalsContact CB-ND1 3.27Å; C277-H335 WeakPolarHBondContact CB-ND1 3.37Å; T299-H335 CarbonylContact C-O 3.54Å; T299-H335 WeakPolarHBondContact CA-O 3.35Å; N300-H335 PolarHBondContact N-O 3.38Å; N300-H335 PolarHBondContact O-N 3.37Å; W332-H335 HydrophobicContact CE3-CB 4.23Å; W332-H335 AromaticContact CE3-ND1 3.66Å; W332-H335 AromaticContact CZ3-ND1 3.52Å; H335-W337 AromaticContact CD2-CE3 3.64Å; H335-D358 IonicContact CD2-OD2 2.75Å; H335-D358 IonicContact CE1-OD1 2.75Å; H335-D358 IonicContact CE1-OD2 3.15Å; H335-D358 IonicContact NE2-OD1 3.65Å; H335-D358 IonicContact NE2-OD2 3.45Å; H335-D358 PolarHBondContact NE2-OD2 3Å; H335-T360 PolarHBondContact CE1-OG1 3.24Å; H335-Q362 PolarHBondContact CE1-OE1 2.86Å; H335-Q362 PolarHBondContact NE2-OE1 2.99Å; H335-E396 IonicContact CD2-OE2 3.96Å; H335-E396 PolarHBondContact CD2-OE2 2.97Å; H335-E396 IonicContact NE2-OE2 3.29Å
336	C	98.3	Very high	88.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135	-177	-59.9	0	0	0	0	111.3	C277 W278 A281 V298	C277-C336 HydrophobicContact CB-CB 4.5Å; W278-C336 HydrophobicContact CB-CB 4.12Å; A281-C336 HydrophobicContact CB-CB 4.14Å; V298-C336 VanDerWaalsContact O-CA 3.24Å; V298-C336 WeakPolarHBondContact O-CA 3.49Å
337	W	98.6	Very high	90	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	-172.7	172.5	62.4	76.9	0	0	0	109.5	V298 N300 H335 L357 D358 E396 V397 Y443	V298-W337 HydrophobicContact CG1-CZ2 3.97Å; V298-W337 PolarHBondContact N-O 2.91Å; V298-W337 PolarHBondContact O-N 2.84Å; V298-W337 VanDerWaalsContact O-N 3.16Å; N300-W337 HydrophobicContact CB-CH2 3.35Å; N300-W337 HydrophobicContact CB-CZ2 4.25Å; N300-W337 HydrophobicContact CB-CZ3 3.54Å; H335-W337 AromaticContact CD2-CE3 3.64Å; W337-L357 WeakPolarHBondContact CB-O 3.26Å; W337-D358 HydrophobicContact CB-CB 3.86Å; W337-E396 WeakPolarHBondContact CZ3-OE2 3.38Å; W337-V397 HydrophobicContact CH2-CG1 3.92Å; W337-Y443 AromaticContact CZ2-CE1 3.82Å; W337-Y443 HydrophobicContact CZ2-CE1 3.82Å; W337-Y443 HydrophobicContact CZ2-CE2 4.23Å; W337-Y443 AromaticContact CZ2-CZ 3.6Å; W337-Y443 WeakPolarHBondContact CZ2-OH 3.41Å; W337-Y443 AromaticContact NE1-CZ 3.84Å; W337-Y443 PolarHBondContact NE1-OH 3.45Å
338	V	98.9	Very high	91.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	149.1	172.4	-55.9	0	0	0	0	112.2	A281 A284 C285 L288 T295 R296 V297 L357	A281-V338 HydrophobicContact CB-CG1 3.99Å; A281-V338 WeakPolarHBondContact O-CG1 3.44Å; A284-V338 HydrophobicContact CB-CG1 4.29Å; A284-V338 HydrophobicContact CB-CG2 4.45Å; C285-V338 HydrophobicContact CB-CG1 3.99Å; L288-V338 HydrophobicContact CD1-CG2 4.03Å; T295-V338 HydrophobicContact CG2-CB 3.76Å; T295-V338 HydrophobicContact CG2-CG1 4.32Å; T295-V338 HydrophobicContact CG2-CG2 4.01Å; R296-V338 CarbonylContact O-C 3.59Å; R296-V338 WeakPolarHBondContact O-CA 3.47Å; V297-V338 HydrophobicContact CG2-CG1 4.26Å; V338-L357 HydrophobicContact CG2-CB 3.71Å; V338-L357 HydrophobicContact CG2-CD1 4.45Å; V338-L357 WeakPolarHBondContact CG2-O 3.31Å; V338-L357 PolarHBondContact N-O 3.05Å; V338-L357 PolarHBondContact O-N 3.45Å
339	E	98.9	Very high	93.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.6	164.2	-73.5	177.2	-177.7	0	0	109.3	T295 R296 V298 W354 Q355 V376 Y443	T295-E339 CarbonylContact C-O 3.55Å; T295-E339 VanDerWaalsContact CA-O 3.24Å; T295-E339 WeakPolarHBondContact CA-O 3.34Å; T295-E339 WeakPolarHBondContact CG2-O 3.36Å; R296-E339 HydrophobicContact CG-CB 4.04Å; R296-E339 IonicContact CZ-OE2 3.02Å; R296-E339 PolarHBondContact N-O 3.33Å; R296-E339 IonicContact NE-OE2 2.91Å; R296-E339 PolarHBondContact NE-OE2 3.15Å; R296-E339 IonicContact NH2-OE2 3.33Å; R296-E339 PolarHBondContact NH2-OE2 2.9Å; R296-E339 PolarHBondContact O-N 3.16Å; V298-E339 HydrophobicContact CG2-CB 4.26Å; V298-E339 HydrophobicContact CG2-CG 3.69Å; E339-W354 HydrophobicContact CB-CB 4.33Å; E339-W354 HydrophobicContact CB-CD2 4.2Å; E339-W354 HydrophobicContact CB-CE3 3.62Å; E339-W354 HydrophobicContact CB-CZ3 4.31Å; E339-W354 HydrophobicContact CG-CB 4.46Å; E339-W354 WeakPolarHBondContact O-CZ3 3.2Å; E339-Q355 CarbonylContact C-O 3.56Å; E339-Q355 VanDerWaalsContact CA-O 3.27Å; E339-Q355 WeakPolarHBondContact CA-O 3.48Å; E339-V376 HydrophobicContact CG-CG2 4.11Å; E339-Y443 WeakPolarHBondContact OE1-CE2 3.35Å; E339-Y443 PolarHBondContact OE1-OH 3.43Å
340	S	98.9	Very high	95.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.9	173.7	-67.9	0	0	0	0	111	P294 T295 M342 Q355	P294-S340 CarbonylContact O-C 3.58Å; P294-S340 WeakPolarHBondContact O-CA 3.42Å; T295-S340 WeakPolarHBondContact CG2-OG 3.49Å; T295-S340 PolarHBondContact OG1-OG 3.35Å; S340-M342 VanDerWaalsContact CB-CE 3.43Å; S340-Q355 PolarHBondContact N-O 3.09Å; S340-Q355 WeakPolarHBondContact O-CG 3.45Å; S340-Q355 PolarHBondContact O-N 3.36Å
341	W	98.9	Very high	96.6	Very high	69 Å²	69	34.5 Å²	34.5	26%	0.261	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	120.8	-180	-177	-92.1	0	0	0	111.3	Y149 L150 P294 G353 W354	Y149-W341 PolarHBondContact O-NE1 3.41Å; L150-W341 HydrophobicContact CD2-CB 4.46Å; L150-W341 HydrophobicContact CD2-CD2 3.54Å; L150-W341 VanDerWaalsContact CD2-CE2 3.47Å; L150-W341 HydrophobicContact CD2-CE3 4.18Å; L150-W341 HydrophobicContact CD2-CG 3.64Å; L150-W341 HydrophobicContact CD2-CZ2 4.06Å; L150-W341 HydrophobicContact CG-CD2 4.39Å; L150-W341 HydrophobicContact CG-CG 3.98Å; P294-W341 HydrophobicContact CB-CB 4.06Å; P294-W341 HydrophobicContact CG-CB 4.38Å; P294-W341 PolarHBondContact O-N 2.9Å; W341-G353 VanDerWaalsContact CE3-C 3.48Å; W341-W354 HydrophobicContact CB-CD2 4.5Å; W341-W354 HydrophobicContact CB-CE3 3.99Å; W341-W354 HydrophobicContact CB-CH2 4.14Å; W341-W354 HydrophobicContact CB-CZ3 3.81Å; W341-W354 AromaticContact CE3-CD1 3.84Å; W341-W354 AromaticContact CE3-CD2 3.83Å; W341-W354 HydrophobicContact CE3-CD2 3.83Å; W341-W354 AromaticContact CE3-CE2 3.72Å; W341-W354 HydrophobicContact CE3-CE3 4.45Å; W341-W354 AromaticContact CE3-CG 3.92Å; W341-W354 HydrophobicContact CE3-CG 3.92Å; W341-W354 HydrophobicContact CE3-CZ2 4.26Å; W341-W354 AromaticContact CE3-NE1 3.69Å; W341-W354 AromaticContact CZ3-CD1 3.85Å; W341-W354 HydrophobicContact CZ3-CG 4.32Å; W341-W354 AromaticContact CZ3-NE1 3.82Å
342	M	98.8	Very high	97.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	162.3	175.1	62.1	-166.1	77.4	0	0	112.9	A147 V148 P217 V218 I293 S340 G353 Q355	A147-M342 CarbonylContact O-C 3.52Å; A147-M342 WeakPolarHBondContact O-CA 3.37Å; V148-M342 HydrophobicContact CG1-CB 4.25Å; P217-M342 HydrophobicContact CB-CB 4.11Å; P217-M342 HydrophobicContact CB-CE 4.1Å; P217-M342 HydrophobicContact CB-SD 3.84Å; P217-M342 HydrophobicContact CG-CB 3.73Å; P217-M342 HydrophobicContact CG-CG 4.36Å; P217-M342 HydrophobicContact CG-SD 3.97Å; V218-M342 HydrophobicContact CB-SD 4.29Å; V218-M342 HydrophobicContact CG2-CG 4.44Å; V218-M342 HydrophobicContact CG2-SD 3.62Å; V218-M342 PolarHBondContact N-SD 2.54Å; V218-M342 VanDerWaalsContact N-SD 3.45Å; I293-M342 HydrophobicContact CG2-CE 4.06Å; S340-M342 VanDerWaalsContact CB-CE 3.43Å; M342-G353 PolarHBondContact N-O 2.86Å; M342-G353 PolarHBondContact O-N 3.37Å; M342-Q355 HydrophobicContact CE-CG 4.44Å; M342-Q355 HydrophobicContact CG-CG 3.55Å; M342-Q355 HydrophobicContact SD-CG 4.14Å
343	T	98.7	Very high	97.6	Very high	53 Å²	53	37.3 Å²	37.3	33%	0.325	21%	0.205	S	C	.	.			trans	-75	158	164.9	63.5	0	0	0	0	111.9	A147 P345 E352	A147-T343 WeakPolarHBondContact CB-OG1 3.46Å; A147-T343 PolarHBondContact O-N 3.24Å; T343-P345 WeakPolarHBondContact O-CD 3.39Å; T343-E352 HydrophobicContact CG2-CB 4.2Å; T343-E352 HydrophobicContact CG2-CG 3.88Å
344	R	98.2	Very high	97.9	Very high	2 Å²	2	39 Å²	39	1%	0.008	21%	0.211	C	C	.	.			trans	-125.2	69.3	-178.6	-69.1	-60.7	-57.7	-85.2	0.7	112	D346 L347 Y351 Q355 P373 K387	R344-D346 IonicContact CZ-OD1 3.23Å; R344-D346 IonicContact CZ-OD2 2.71Å; R344-D346 IonicContact NE-OD1 3.25Å; R344-D346 PolarHBondContact NE-OD1 3.11Å; R344-D346 IonicContact NE-OD2 2.72Å; R344-D346 PolarHBondContact NE-OD2 3.26Å; R344-D346 IonicContact NH2-OD1 2.73Å; R344-D346 IonicContact NH2-OD2 3.17Å; R344-D346 PolarHBondContact NH2-OD2 3.15Å; R344-D346 PolarHBondContact O-N 3.39Å; R344-D346 VanDerWaalsContact O-N 3.09Å; R344-L347 HydrophobicContact CB-CB 4.1Å; R344-L347 HydrophobicContact CB-CD1 3.94Å; R344-L347 HydrophobicContact CB-CG 4.06Å; R344-L347 HydrophobicContact CG-CD1 4.16Å; R344-L347 VanDerWaalsContact CZ-CD1 3.42Å; R344-L347 PolarHBondContact O-N 3.26Å; R344-Y351 WeakPolarHBondContact CG-O 3.37Å; R344-Q355 VanDerWaalsContact CG-OE1 3.25Å; R344-P373 PolarHBondContact NH1-O 2.76Å; R344-K387 PolarHBondContact NH1-O 3.44Å; R344-K387 PolarHBondContact NH2-O 3Å
345	P	97.4	Very high	98	Very high	112 Å²	112	39 Å²	39	73%	0.727	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-13	-178.9	29.1	-36.2	0	0	0	113.5	T343 L347	T343-P345 WeakPolarHBondContact O-CD 3.39Å; P345-L347 VanDerWaalsContact C-N 3.32Å
346	D	96.9	Very high	98.1	Very high	76 Å²	76	39 Å²	39	41%	0.406	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-10.6	172.7	62	-56.9	0	0	0	113.8	R344	R344-D346 IonicContact CZ-OD1 3.23Å; R344-D346 IonicContact CZ-OD2 2.71Å; R344-D346 IonicContact NE-OD1 3.25Å; R344-D346 PolarHBondContact NE-OD1 3.11Å; R344-D346 IonicContact NE-OD2 2.72Å; R344-D346 PolarHBondContact NE-OD2 3.26Å; R344-D346 IonicContact NH2-OD1 2.73Å; R344-D346 IonicContact NH2-OD2 3.17Å; R344-D346 PolarHBondContact NH2-OD2 3.15Å; R344-D346 PolarHBondContact O-N 3.39Å; R344-D346 VanDerWaalsContact O-N 3.09Å
347	L	97.6	Very high	98.1	Very high	36 Å²	36	39.1 Å²	39.1	19%	0.188	21%	0.212	C	C	.	.	S	Bend	trans	-113.9	178.6	179.6	-59.3	-175.8	0	0	0	111.7	R344 P345 Y351 P375 T386 K387	R344-L347 HydrophobicContact CB-CB 4.1Å; R344-L347 HydrophobicContact CB-CD1 3.94Å; R344-L347 HydrophobicContact CB-CG 4.06Å; R344-L347 HydrophobicContact CG-CD1 4.16Å; R344-L347 VanDerWaalsContact CZ-CD1 3.42Å; R344-L347 PolarHBondContact O-N 3.26Å; P345-L347 VanDerWaalsContact C-N 3.32Å; L347-Y351 HydrophobicContact CB-CD2 4.21Å; L347-Y351 HydrophobicContact CD1-CD2 4.13Å; L347-Y351 HydrophobicContact CD1-CG 4.37Å; L347-P375 HydrophobicContact CD1-CG 3.49Å; L347-P375 VanDerWaalsContact CD1-CG 3.49Å; L347-T386 HydrophobicContact CD1-CG2 3.58Å; L347-T386 HydrophobicContact CD2-CG2 4.19Å; L347-K387 HydrophobicContact CD2-CB 4.35Å
348	Q	95.6	Very high	98	Very high	155 Å²	155	39.1 Å²	39.1	72%	0.724	21%	0.212	S	C	*	.			trans	-65.7	145.9	168.9	-59.5	-165.9	20.8	0	0	110.5
349	P	96.8	Very high	97.8	Very high	123 Å²	123	39.1 Å²	39.1	80%	0.799	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	145.8	176.2	-25.5	34.3	0	0	0	112.8
350	G	96	Very high	97.5	Very high	21 Å²	21	39.3 Å²	39.3	22%	0.216	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.6	-0.8	-179.1	0	0	0	0	0	114.7	E352 R377	G350-E352 VanDerWaalsContact C-OE2 3.22Å; G350-E352 WeakPolarHBondContact CA-OE2 3.27Å; G350-E352 PolarHBondContact N-OE1 2.89Å; G350-E352 PolarHBondContact N-OE2 2.98Å; G350-R377 WeakPolarHBondContact O-CD 3.39Å; G350-R377 PolarHBondContact O-NH1 2.74Å
351	Y	98.4	Very high	96.8	Very high	31 Å²	31	40.2 Å²	40.2	12%	0.122	22%	0.219	C	C	.	.			trans	-101.3	14.2	173.5	-75.9	-45.5	0	0	0	113.8	R344 L347 Q355 P375 R377 A378 D383	R344-Y351 WeakPolarHBondContact CG-O 3.37Å; L347-Y351 HydrophobicContact CB-CD2 4.21Å; L347-Y351 HydrophobicContact CD1-CD2 4.13Å; L347-Y351 HydrophobicContact CD1-CG 4.37Å; Y351-Q355 PolarHBondContact O-NE2 3.18Å; Y351-P375 HydrophobicContact CD1-CB 3.79Å; Y351-P375 HydrophobicContact CD1-CG 4.08Å; Y351-P375 HydrophobicContact CG-CB 4.1Å; Y351-P375 HydrophobicContact CG-CG 3.93Å; Y351-R377 HydrophobicContact CD1-CB 4.15Å; Y351-R377 HydrophobicContact CD1-CG 4.29Å; Y351-R377 HydrophobicContact CE1-CB 4.36Å; Y351-R377 HydrophobicContact CE1-CG 4.19Å; Y351-A378 HydrophobicContact CD1-CB 4.24Å; Y351-A378 HydrophobicContact CE1-CB 3.68Å; Y351-D383 WeakPolarHBondContact OH-CB 3.22Å; Y351-D383 PolarHBondContact OH-OD2 3.48Å
352	E	98.3	Very high	95.6	Very high	93 Å²	93	38.2 Å²	38.2	44%	0.435	21%	0.212	S	C	.	.			trans	-66.4	152.2	167.6	-46.5	77.1	-164.3	0	0	110.6	T343 G350	T343-E352 HydrophobicContact CG2-CB 4.2Å; T343-E352 HydrophobicContact CG2-CG 3.88Å; G350-E352 VanDerWaalsContact C-OE2 3.22Å; G350-E352 WeakPolarHBondContact CA-OE2 3.27Å; G350-E352 PolarHBondContact N-OE1 2.89Å; G350-E352 PolarHBondContact N-OE2 2.98Å
353	G	98.7	Very high	94.4	Very high	4 Å²	4	41.8 Å²	41.8	4%	0.041	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118.6	-143.1	176.7	0	0	0	0	0	112.3	W341 M342 Q355	W341-G353 VanDerWaalsContact CE3-C 3.48Å; M342-G353 PolarHBondContact N-O 2.86Å; M342-G353 PolarHBondContact O-N 3.37Å; G353-Q355 PolarHBondContact O-N 3.44Å; G353-Q355 PolarHBondContact O-NE2 2.81Å
354	W	98.9	Very high	93.4	Very high	37 Å²	37	43.8 Å²	43.8	14%	0.14	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	125.8	-177.5	-67.3	114.2	0	0	0	112.7	Y159 R296 E339 W341 V376	Y159-W354 HydrophobicContact CD1-CH2 4.25Å; Y159-W354 AromaticContact CD2-CH2 3.63Å; Y159-W354 HydrophobicContact CD2-CH2 3.63Å; Y159-W354 AromaticContact CD2-CZ2 3.83Å; Y159-W354 HydrophobicContact CD2-CZ2 3.83Å; Y159-W354 HydrophobicContact CE1-CH2 4.39Å; Y159-W354 AromaticContact CE2-CH2 3.79Å; Y159-W354 HydrophobicContact CE2-CH2 3.79Å; Y159-W354 AromaticContact CE2-CZ2 3.53Å; Y159-W354 HydrophobicContact CE2-CZ2 3.53Å; Y159-W354 AromaticContact CG-CH2 3.87Å; Y159-W354 HydrophobicContact CG-CH2 3.87Å; Y159-W354 HydrophobicContact CG-CZ2 4.46Å; Y159-W354 AromaticContact CZ-CZ2 3.93Å; R296-W354 HydrophobicContact CG-CE3 4.47Å; R296-W354 HydrophobicContact CG-CH2 4.1Å; R296-W354 HydrophobicContact CG-CZ3 4.02Å; E339-W354 HydrophobicContact CB-CB 4.33Å; E339-W354 HydrophobicContact CB-CD2 4.2Å; E339-W354 HydrophobicContact CB-CE3 3.62Å; E339-W354 HydrophobicContact CB-CZ3 4.31Å; E339-W354 HydrophobicContact CG-CB 4.46Å; E339-W354 WeakPolarHBondContact O-CZ3 3.2Å; W341-W354 HydrophobicContact CB-CD2 4.5Å; W341-W354 HydrophobicContact CB-CE3 3.99Å; W341-W354 HydrophobicContact CB-CH2 4.14Å; W341-W354 HydrophobicContact CB-CZ3 3.81Å; W341-W354 AromaticContact CE3-CD1 3.84Å; W341-W354 AromaticContact CE3-CD2 3.83Å; W341-W354 HydrophobicContact CE3-CD2 3.83Å; W341-W354 AromaticContact CE3-CE2 3.72Å; W341-W354 HydrophobicContact CE3-CE3 4.45Å; W341-W354 AromaticContact CE3-CG 3.92Å; W341-W354 HydrophobicContact CE3-CG 3.92Å; W341-W354 HydrophobicContact CE3-CZ2 4.26Å; W341-W354 AromaticContact CE3-NE1 3.69Å; W341-W354 AromaticContact CZ3-CD1 3.85Å; W341-W354 HydrophobicContact CZ3-CG 4.32Å; W341-W354 AromaticContact CZ3-NE1 3.82Å; W354-V376 HydrophobicContact CB-CB 4.42Å; W354-V376 HydrophobicContact CB-CG2 4.02Å; W354-V376 WeakPolarHBondContact O-CG2 3.4Å; W354-V376 PolarHBondContact O-N 3.05Å
355	Q	98.8	Very high	92.3	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.6	176.1	-42.9	-63.2	-57.6	0	0	109.9	E339 S340 M342 R344 Y351 G353 P373 V374 P375	E339-Q355 CarbonylContact C-O 3.56Å; E339-Q355 VanDerWaalsContact CA-O 3.27Å; E339-Q355 WeakPolarHBondContact CA-O 3.48Å; S340-Q355 PolarHBondContact N-O 3.09Å; S340-Q355 WeakPolarHBondContact O-CG 3.45Å; S340-Q355 PolarHBondContact O-N 3.36Å; M342-Q355 HydrophobicContact CE-CG 4.44Å; M342-Q355 HydrophobicContact CG-CG 3.55Å; M342-Q355 HydrophobicContact SD-CG 4.14Å; R344-Q355 VanDerWaalsContact CG-OE1 3.25Å; Y351-Q355 PolarHBondContact O-NE2 3.18Å; G353-Q355 PolarHBondContact O-N 3.44Å; G353-Q355 PolarHBondContact O-NE2 2.81Å; Q355-P373 HydrophobicContact CB-CB 3.67Å; Q355-P373 HydrophobicContact CG-CB 4.34Å; Q355-V374 CarbonylContact C-O 3.59Å; Q355-V374 WeakPolarHBondContact CA-O 3.32Å; Q355-P375 VanDerWaalsContact OE1-CA 3.29Å
356	A	98.7	Very high	91.3	Very high	2 Å²	2	46.2 Å²	46.2	2%	0.017	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	129	175.1	0	0	0	0	0	110.4	G372 P373 V374 V376 V393	A356-G372 WeakPolarHBondContact O-CA 3.41Å; A356-P373 WeakPolarHBondContact O-CA 3.42Å; A356-V374 HydrophobicContact CB-CG1 3.83Å; A356-V374 PolarHBondContact N-O 3.35Å; A356-V374 PolarHBondContact O-N 2.72Å; A356-V376 HydrophobicContact CB-CG2 4.3Å; A356-V393 HydrophobicContact CB-CG1 4.26Å
357	L	97.9	Very high	90.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	116.9	176.9	-77.7	160.3	0	0	0	107.2	L288 W337 V338 P359 C371 G372 P373	L288-L357 HydrophobicContact CD1-CD1 4.3Å; W337-L357 WeakPolarHBondContact CB-O 3.26Å; V338-L357 HydrophobicContact CG2-CB 3.71Å; V338-L357 HydrophobicContact CG2-CD1 4.45Å; V338-L357 WeakPolarHBondContact CG2-O 3.31Å; V338-L357 PolarHBondContact N-O 3.05Å; V338-L357 PolarHBondContact O-N 3.45Å; L357-P359 WeakPolarHBondContact O-CD 3.4Å; L357-C371 WeakPolarHBondContact CA-O 3.4Å; L357-G372 VanDerWaalsContact CD2-C 3.5Å; L357-P373 HydrophobicContact CD1-CB 4.48Å; L357-P373 HydrophobicContact CD2-CB 3.78Å; L357-P373 HydrophobicContact CD2-CG 4.24Å; L357-P373 HydrophobicContact CG-CB 3.96Å
358	D	96.4	Very high	89.1	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.016	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	108.6	176.2	-174.6	6.3	0	0	0	110.4	S225 H335 W337 T360 Q362 C371	S225-D358 PolarHBondContact OG-O 3Å; S225-D358 VanDerWaalsContact OG-O 3.08Å; H335-D358 IonicContact CD2-OD2 2.75Å; H335-D358 IonicContact CE1-OD1 2.75Å; H335-D358 IonicContact CE1-OD2 3.15Å; H335-D358 IonicContact NE2-OD1 3.65Å; H335-D358 IonicContact NE2-OD2 3.45Å; H335-D358 PolarHBondContact NE2-OD2 3Å; W337-D358 HydrophobicContact CB-CB 3.86Å; D358-T360 VanDerWaalsContact C-N 3.25Å; D358-T360 WeakPolarHBondContact OD1-CB 3.43Å; D358-T360 PolarHBondContact OD1-N 2.7Å; D358-T360 PolarHBondContact OD1-OG1 2.88Å; D358-Q362 PolarHBondContact OD2-OE1 3.24Å; D358-C371 HydrophobicContact CB-CB 3.91Å; D358-C371 PolarHBondContact N-O 3.08Å; D358-C371 WeakPolarHBondContact O-CB 3.44Å; D358-C371 PolarHBondContact O-N 3.37Å
359	P	95.2	Very high	88.3	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.006	22%	0.224	C	C	.	.			trans	-80	-4.4	176.9	33.6	-35.6	0	0	0	113.2	V228 N229 F280 A284 L357	V228-P359 HydrophobicContact CB-CB 4.05Å; V228-P359 HydrophobicContact CG1-CB 3.91Å; N229-P359 WeakPolarHBondContact CB-O 3.13Å; N229-P359 PolarHBondContact ND2-O 3.03Å; N229-P359 VanDerWaalsContact ND2-O 3.1Å; F280-P359 HydrophobicContact CB-CB 4.13Å; F280-P359 HydrophobicContact CB-CG 3.8Å; A284-P359 HydrophobicContact CB-CB 4.2Å; A284-P359 HydrophobicContact CB-CG 3.95Å; L357-P359 WeakPolarHBondContact O-CD 3.4Å
360	T	92.4	Very high	87.6	Confident	5 Å²	5	35.8 Å²	35.8	3%	0.031	19%	0.189	C	C	.	.	S	Bend	trans	-73	130.5	177.4	-49.2	0	0	0	0	109.4	W241 C277 F280 H335 D358 Q362	W241-T360 HydrophobicContact CZ2-CG2 4.45Å; C277-T360 WeakPolarHBondContact CA-OG1 3.34Å; C277-T360 HydrophobicContact CB-CG2 4.12Å; C277-T360 WeakPolarHBondContact CB-OG1 3.43Å; F280-T360 HydrophobicContact CD2-CG2 4.21Å; F280-T360 HydrophobicContact CE2-CG2 4.44Å; H335-T360 PolarHBondContact CE1-OG1 3.24Å; D358-T360 VanDerWaalsContact C-N 3.25Å; D358-T360 WeakPolarHBondContact OD1-CB 3.43Å; D358-T360 PolarHBondContact OD1-N 2.7Å; D358-T360 PolarHBondContact OD1-OG1 2.88Å; T360-Q362 VanDerWaalsContact C-N 3.26Å; T360-Q362 HydrophobicContact CG2-CG 4.08Å; T360-Q362 PolarHBondContact O-N 3.35Å
361	P	83.9	Confident	87.2	Confident	18 Å²	18	35 Å²	35	12%	0.117	18%	0.181	C	C	.	.	S	Bend	trans	-79.9	75.4	-175.7	32.5	-35.7	0	0	0	111.8	N229 N231 Y369	N229-P361 HydrophobicContact CB-CB 4.15Å; N229-P361 HydrophobicContact CB-CG 3.95Å; N231-P361 HydrophobicContact CB-CB 4.32Å; N231-P361 WeakPolarHBondContact ND2-CB 3.49Å; N231-P361 WeakPolarHBondContact ND2-CG 3.42Å; P361-Y369 HydrophobicContact CB-CD1 3.64Å; P361-Y369 HydrophobicContact CB-CE1 4.29Å; P361-Y369 HydrophobicContact CB-CG 3.8Å
362	Q	73.3	Confident	86.7	Confident	27 Å²	27	33.6 Å²	33.6	13%	0.126	18%	0.175	C	C	.	.	S	Bend	trans	-97.5	-54.2	-178.6	-87.8	-179.3	-23	0	0	111.7	H305 H335 D358 T360 F392	H305-Q362 WeakPolarHBondContact NE2-CB 3.32Å; H305-Q362 VanDerWaalsContact NE2-CG 3.35Å; H305-Q362 WeakPolarHBondContact NE2-CG 3.09Å; H335-Q362 PolarHBondContact CE1-OE1 2.86Å; H335-Q362 PolarHBondContact NE2-OE1 2.99Å; D358-Q362 PolarHBondContact OD2-OE1 3.24Å; T360-Q362 VanDerWaalsContact C-N 3.26Å; T360-Q362 HydrophobicContact CG2-CG 4.08Å; T360-Q362 PolarHBondContact O-N 3.35Å; Q362-F392 HydrophobicContact CB-CE2 4.38Å; Q362-F392 HydrophobicContact CB-CZ 3.71Å
363	E	73.8	Confident	86.7	Confident	77 Å²	77	29.1 Å²	29.1	36%	0.36	15%	0.154	S	C	.	.	S	Bend	trans	-119.6	151.9	176.6	-169.7	177.3	163.6	0	0	111.8	Y369 F392	E363-Y369 WeakPolarHBondContact O-CD1 3.32Å; E363-F392 HydrophobicContact CB-CD2 4.05Å; E363-F392 HydrophobicContact CB-CE2 4.09Å; E363-F392 HydrophobicContact CB-CG 4.49Å; E363-F392 VanDerWaalsContact OE2-CB 3.27Å; E363-F392 WeakPolarHBondContact OE2-CB 3.46Å; E363-F392 WeakPolarHBondContact OE2-CD2 3.05Å; E363-F392 VanDerWaalsContact OE2-CG 3.29Å; E363-F392 WeakPolarHBondContact OE2-CG 3.02Å
364	K	78.3	Confident	86.6	Confident	95 Å²	95	29 Å²	29	41%	0.413	15%	0.152	S	C	.	.			trans	-90.9	114.9	170.2	-70	-170	171.3	-150.1	0	110.8	D232 T368 Y369	D232-K364 IonicContact OD1-NZ 3.15Å; D232-K364 PolarHBondContact OD1-NZ 2.93Å; K364-T368 CarbonylContact C-O 3.47Å; K364-T368 WeakPolarHBondContact CA-O 3.48Å; K364-Y369 HydrophobicContact CD-CD2 4.42Å; K364-Y369 HydrophobicContact CD-CE2 4.14Å; K364-Y369 HydrophobicContact CG-CD1 3.99Å; K364-Y369 HydrophobicContact CG-CD2 4Å; K364-Y369 HydrophobicContact CG-CE1 3.9Å; K364-Y369 HydrophobicContact CG-CE2 3.93Å; K364-Y369 HydrophobicContact CG-CG 4.05Å
365	S	76.1	Confident	86.6	Confident	12 Å²	12	27.2 Å²	27.2	8%	0.084	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-90.7	121.3	166.6	-166.3	0	0	0	0	110.9	R222 G367 T368 C370 D389	R222-S365 VanDerWaalsContact NH2-CB 3.35Å; R222-S365 PolarHBondContact NH2-OG 2.87Å; S365-G367 PolarHBondContact O-N 2.69Å; S365-G367 VanDerWaalsContact O-N 3.1Å; S365-T368 PolarHBondContact N-O 2.86Å; S365-T368 PolarHBondContact O-N 2.9Å; S365-T368 VanDerWaalsContact O-O 3.1Å; S365-C370 WeakPolarHBondContact CB-O 3.43Å; S365-D389 WeakPolarHBondContact CB-OD1 3.34Å; S365-D389 VanDerWaalsContact OG-CG 3.29Å; S365-D389 PolarHBondContact OG-OD1 3.45Å; S365-D389 PolarHBondContact OG-OD2 3.44Å
366	E	75.4	Confident	86.6	Confident	152 Å²	152	27.5 Å²	27.5	71%	0.71	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	32.1	-176.4	-57.8	179.5	173.7	0	0	113.2
367	G	72.5	Confident	86.6	Confident	49 Å²	49	34.1 Å²	34.1	51%	0.505	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	1.9	179.6	0	0	0	0	0	115.9	S365	S365-G367 PolarHBondContact O-N 2.69Å; S365-G367 VanDerWaalsContact O-N 3.1Å
368	T	75	Confident	86.6	Confident	51 Å²	51	34 Å²	34	31%	0.313	17%	0.172	S	C	.	.	B	Isolated β-bridge	trans	-116.6	139.4	176.1	-47.5	0	0	0	0	110.4	D232 K364 S365 C370	D232-T368 HydrophobicContact CB-CG2 4.48Å; D232-T368 WeakPolarHBondContact OD2-CA 3.31Å; K364-T368 CarbonylContact C-O 3.47Å; K364-T368 WeakPolarHBondContact CA-O 3.48Å; S365-T368 PolarHBondContact N-O 2.86Å; S365-T368 PolarHBondContact O-N 2.9Å; S365-T368 VanDerWaalsContact O-O 3.1Å; T368-C370 PolarHBondContact O-N 2.86Å
369	Y	79.9	Confident	86.7	Confident	61 Å²	61	33.9 Å²	33.9	24%	0.239	17%	0.171	C	C	.	.	S	Bend	trans	-70.6	77.8	172.4	-80.1	-72.3	0	0	0	110.7	N229 N231 D232 P361 E363 K364	N229-Y369 PolarHBondContact ND2-O 3.37Å; N231-Y369 HydrophobicContact CB-CD2 3.39Å; N231-Y369 HydrophobicContact CB-CE2 3.85Å; N231-Y369 HydrophobicContact CB-CG 4.04Å; D232-Y369 WeakPolarHBondContact OD2-CB 3.33Å; D232-Y369 WeakPolarHBondContact OD2-CD2 3.32Å; D232-Y369 PolarHBondContact OD2-N 2.97Å; P361-Y369 HydrophobicContact CB-CD1 3.64Å; P361-Y369 HydrophobicContact CB-CE1 4.29Å; P361-Y369 HydrophobicContact CB-CG 3.8Å; E363-Y369 WeakPolarHBondContact O-CD1 3.32Å; K364-Y369 HydrophobicContact CD-CD2 4.42Å; K364-Y369 HydrophobicContact CD-CE2 4.14Å; K364-Y369 HydrophobicContact CG-CD1 3.99Å; K364-Y369 HydrophobicContact CG-CD2 4Å; K364-Y369 HydrophobicContact CG-CE1 3.9Å; K364-Y369 HydrophobicContact CG-CE2 3.93Å; K364-Y369 HydrophobicContact CG-CG 4.05Å
370	C	81.4	Confident	86.9	Confident	11 Å²	11	36.3 Å²	36.3	7%	0.074	18%	0.181	C	C	.	.			trans	-143.1	139.9	167.8	62.6	0	0	0	0	108.3	S365 T368	S365-C370 WeakPolarHBondContact CB-O 3.43Å; T368-C370 PolarHBondContact O-N 2.86Å
371	C	87.8	Confident	87.1	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.034	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.3	174.7	174.4	0	0	0	0	110.1	S225 L357 D358	S225-C371 PolarHBondContact OG-O 2.75Å; L357-C371 WeakPolarHBondContact CA-O 3.4Å; D358-C371 HydrophobicContact CB-CB 3.91Å; D358-C371 PolarHBondContact N-O 3.08Å; D358-C371 WeakPolarHBondContact O-CB 3.44Å; D358-C371 PolarHBondContact O-N 3.37Å
372	G	89	Confident	87.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.5	178.1	-178.6	0	0	0	0	0	113.8	R222 A356 L357 D389	R222-G372 PolarHBondContact NH1-O 2.94Å; A356-G372 WeakPolarHBondContact O-CA 3.41Å; L357-G372 VanDerWaalsContact CD2-C 3.5Å; G372-D389 PolarHBondContact N-OD2 3.33Å
373	P	96.9	Very high	88.8	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-81.3	127.4	11.5	28.4	-33	0	0	0	112.8	V218 R344 Q355 A356 L357 Y388	V218-P373 HydrophobicContact CB-CG 4.28Å; V218-P373 HydrophobicContact CG1-CG 3.66Å; R344-P373 PolarHBondContact NH1-O 2.76Å; Q355-P373 HydrophobicContact CB-CB 3.67Å; Q355-P373 HydrophobicContact CG-CB 4.34Å; A356-P373 WeakPolarHBondContact O-CA 3.42Å; L357-P373 HydrophobicContact CD1-CB 4.48Å; L357-P373 HydrophobicContact CD2-CB 3.78Å; L357-P373 HydrophobicContact CD2-CG 4.24Å; L357-P373 HydrophobicContact CG-CB 3.96Å; P373-Y388 HydrophobicContact CG-CD2 4.22Å; P373-Y388 PolarHBondContact O-N 3.42Å
374	V	97.9	Very high	89.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.9	170.3	67.7	0	0	0	0	110.8	Q355 A356 V376 I379 Y388 A390 V393	Q355-V374 CarbonylContact C-O 3.59Å; Q355-V374 WeakPolarHBondContact CA-O 3.32Å; A356-V374 HydrophobicContact CB-CG1 3.83Å; A356-V374 PolarHBondContact N-O 3.35Å; A356-V374 PolarHBondContact O-N 2.72Å; V374-V376 PolarHBondContact O-N 3.4Å; V374-I379 HydrophobicContact CG1-CD1 4.09Å; V374-I379 HydrophobicContact CG1-CG1 4.08Å; V374-I379 HydrophobicContact CG2-CD1 3.85Å; V374-I379 HydrophobicContact CG2-CG1 4.26Å; V374-Y388 WeakPolarHBondContact CB-O 3.36Å; V374-Y388 WeakPolarHBondContact CG2-O 3.36Å; V374-A390 HydrophobicContact CG2-CB 3.66Å; V374-V393 HydrophobicContact CG1-CB 4Å; V374-V393 HydrophobicContact CG1-CG1 4.03Å; V374-V393 HydrophobicContact CG1-CG2 3.85Å
375	P	98.8	Very high	90.5	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	127.1	175	-16.5	29.7	0	0	0	110.2	L347 Y351 Q355 R377 A378 I379 T386	L347-P375 HydrophobicContact CD1-CG 3.49Å; L347-P375 VanDerWaalsContact CD1-CG 3.49Å; Y351-P375 HydrophobicContact CD1-CB 3.79Å; Y351-P375 HydrophobicContact CD1-CG 4.08Å; Y351-P375 HydrophobicContact CG-CB 4.1Å; Y351-P375 HydrophobicContact CG-CG 3.93Å; Q355-P375 VanDerWaalsContact OE1-CA 3.29Å; P375-R377 PolarHBondContact O-N 2.76Å; P375-A378 HydrophobicContact CB-CB 4.13Å; P375-A378 HydrophobicContact CG-CB 4.31Å; P375-A378 WeakPolarHBondContact O-CB 3.33Å; P375-A378 PolarHBondContact O-N 3.45Å; P375-I379 PolarHBondContact O-N 3.13Å; P375-T386 HydrophobicContact CG-CG2 3.92Å
376	V	98.8	Very high	91.4	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.042	19%	0.194	C	C	.	.	H	α-helix	trans	-58.2	-33	176.1	173.3	0	0	0	0	110.7	E339 W354 A356 V374 A378 I379 K380 T442 Y443	E339-V376 HydrophobicContact CG-CG2 4.11Å; W354-V376 HydrophobicContact CB-CB 4.42Å; W354-V376 HydrophobicContact CB-CG2 4.02Å; W354-V376 WeakPolarHBondContact O-CG2 3.4Å; W354-V376 PolarHBondContact O-N 3.05Å; A356-V376 HydrophobicContact CB-CG2 4.3Å; V374-V376 PolarHBondContact O-N 3.4Å; V376-A378 PolarHBondContact O-N 2.88Å; V376-I379 WeakPolarHBondContact O-CB 3.11Å; V376-I379 PolarHBondContact O-N 3.09Å; V376-K380 PolarHBondContact O-N 3.2Å; V376-T442 WeakPolarHBondContact CG1-O 3.24Å; V376-Y443 HydrophobicContact CG1-CD1 4.11Å; V376-Y443 HydrophobicContact CG1-CD2 3.93Å; V376-Y443 HydrophobicContact CG1-CE1 4.05Å; V376-Y443 HydrophobicContact CG1-CE2 3.87Å; V376-Y443 HydrophobicContact CG1-CG 4.04Å; V376-Y443 HydrophobicContact CG2-CE1 4.15Å; V376-Y443 HydrophobicContact CG2-CE2 4.33Å
377	R	98.6	Very high	92.2	Very high	140 Å²	140	34.9 Å²	34.9	53%	0.528	19%	0.186	S	C	.	.	H	α-helix	trans	-59.1	-42.4	171.6	-174.9	-177.5	-176.1	161.6	4.3	112.9	G350 Y351 P375 I379 K380 E381	G350-R377 WeakPolarHBondContact O-CD 3.39Å; G350-R377 PolarHBondContact O-NH1 2.74Å; Y351-R377 HydrophobicContact CD1-CB 4.15Å; Y351-R377 HydrophobicContact CD1-CG 4.29Å; Y351-R377 HydrophobicContact CE1-CB 4.36Å; Y351-R377 HydrophobicContact CE1-CG 4.19Å; P375-R377 PolarHBondContact O-N 2.76Å; R377-I379 VanDerWaalsContact C-N 3.25Å; R377-I379 PolarHBondContact O-N 3.18Å; R377-K380 WeakPolarHBondContact O-CB 3.32Å; R377-K380 PolarHBondContact O-N 3.37Å; R377-K380 VanDerWaalsContact O-N 3.14Å; R377-E381 HydrophobicContact CG-CG 4.24Å; R377-E381 VanDerWaalsContact O-CG 3.32Å; R377-E381 WeakPolarHBondContact O-CG 3.43Å; R377-E381 PolarHBondContact O-N 2.86Å
378	A	98.3	Very high	93	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-36.9	178.7	0	0	0	0	0	111.1	Y351 P375 V376 E381 G382 D383 T386	Y351-A378 HydrophobicContact CD1-CB 4.24Å; Y351-A378 HydrophobicContact CE1-CB 3.68Å; P375-A378 HydrophobicContact CB-CB 4.13Å; P375-A378 HydrophobicContact CG-CB 4.31Å; P375-A378 WeakPolarHBondContact O-CB 3.33Å; P375-A378 PolarHBondContact O-N 3.45Å; V376-A378 PolarHBondContact O-N 2.88Å; A378-E381 PolarHBondContact O-N 2.88Å; A378-G382 PolarHBondContact O-N 3.36Å; A378-D383 PolarHBondContact O-N 2.83Å; A378-T386 HydrophobicContact CB-CG2 3.9Å
379	I	98.1	Very high	93.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-45	172.9	-54.7	-55.2	0	0	0	110.8	V374 P375 V376 R377 E381 G382 A390 V393 F394 V397 Y443	V374-I379 HydrophobicContact CG1-CD1 4.09Å; V374-I379 HydrophobicContact CG1-CG1 4.08Å; V374-I379 HydrophobicContact CG2-CD1 3.85Å; V374-I379 HydrophobicContact CG2-CG1 4.26Å; P375-I379 PolarHBondContact O-N 3.13Å; V376-I379 WeakPolarHBondContact O-CB 3.11Å; V376-I379 PolarHBondContact O-N 3.09Å; R377-I379 VanDerWaalsContact C-N 3.25Å; R377-I379 PolarHBondContact O-N 3.18Å; I379-E381 VanDerWaalsContact C-N 3.34Å; I379-E381 PolarHBondContact O-N 2.75Å; I379-G382 PolarHBondContact O-N 3.14Å; I379-A390 HydrophobicContact CD1-CB 4.16Å; I379-A390 WeakPolarHBondContact CD1-O 3.33Å; I379-V393 HydrophobicContact CD1-CB 3.9Å; I379-V393 HydrophobicContact CD1-CG1 4.03Å; I379-V393 HydrophobicContact CG1-CB 4.4Å; I379-V393 HydrophobicContact CG1-CG1 3.96Å; I379-F394 HydrophobicContact CD1-CB 4.16Å; I379-F394 HydrophobicContact CG2-CB 4.35Å; I379-F394 HydrophobicContact CG2-CD2 3.98Å; I379-F394 WeakPolarHBondContact O-CD2 3.31Å; I379-F394 WeakPolarHBondContact O-CE2 3.33Å; I379-V397 HydrophobicContact CG2-CG2 3.77Å; I379-Y443 HydrophobicContact CB-CD1 4.35Å; I379-Y443 HydrophobicContact CG2-CD1 3.9Å
380	K	98.4	Very high	94.5	Very high	51 Å²	51	30.6 Å²	30.6	22%	0.222	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-41.2	176.9	-163.7	-177.4	178.4	166.8	0	113.6	V376 R377 G382 H441 T442 Y443 Y445 A455	V376-K380 PolarHBondContact O-N 3.2Å; R377-K380 WeakPolarHBondContact O-CB 3.32Å; R377-K380 PolarHBondContact O-N 3.37Å; R377-K380 VanDerWaalsContact O-N 3.14Å; K380-G382 VanDerWaalsContact C-N 3.33Å; K380-H441 WeakPolarHBondContact CE-O 3.49Å; K380-H441 PolarHBondContact NZ-O 3.32Å; K380-T442 WeakPolarHBondContact CB-O 3.49Å; K380-T442 WeakPolarHBondContact CD-O 3.34Å; K380-Y443 VanDerWaalsContact CA-O 3.22Å; K380-Y443 WeakPolarHBondContact CA-O 3.21Å; K380-Y445 HydrophobicContact CD-CE1 4.5Å; K380-Y445 HydrophobicContact CD-CE2 4.27Å; K380-Y445 VanDerWaalsContact CE-CE1 3.48Å; K380-Y445 HydrophobicContact CG-CD2 4.01Å; K380-Y445 HydrophobicContact CG-CE2 3.79Å; K380-Y445 WeakPolarHBondContact O-CD2 3.35Å; K380-Y445 WeakPolarHBondContact O-CE2 3.23Å; K380-A455 WeakPolarHBondContact O-CB 3.44Å
381	E	97.9	Very high	94.9	Very high	43 Å²	43	32.4 Å²	32.4	20%	0.201	16%	0.162	C	C	.	.	H	α-helix	trans	-82.5	-8.4	-178	-62.5	-57.1	152.5	0	0	113.8	R377 A378 I379 D383 Y445 A455 R458	R377-E381 HydrophobicContact CG-CG 4.24Å; R377-E381 VanDerWaalsContact O-CG 3.32Å; R377-E381 WeakPolarHBondContact O-CG 3.43Å; R377-E381 PolarHBondContact O-N 2.86Å; A378-E381 PolarHBondContact O-N 2.88Å; I379-E381 VanDerWaalsContact C-N 3.34Å; I379-E381 PolarHBondContact O-N 2.75Å; E381-D383 VanDerWaalsContact C-N 3.33Å; E381-Y445 PolarHBondContact OE1-OH 3.33Å; E381-A455 WeakPolarHBondContact O-CA 3.37Å; E381-R458 VanDerWaalsContact O-CD 3.24Å; E381-R458 WeakPolarHBondContact O-CD 3.31Å; E381-R458 PolarHBondContact O-NE 3.43Å
382	G	95.8	Very high	95	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	26	-174.5	0	0	0	0	0	114.3	A378 I379 K380 L384 R458 A459	A378-G382 PolarHBondContact O-N 3.36Å; I379-G382 PolarHBondContact O-N 3.14Å; K380-G382 VanDerWaalsContact C-N 3.33Å; G382-L384 PolarHBondContact O-N 2.93Å; G382-L384 VanDerWaalsContact O-N 3.12Å; G382-R458 CarbonylContact O-C 3.5Å; G382-A459 PolarHBondContact O-N 3Å
383	D	96.5	Very high	95.2	Very high	36 Å²	36	32.5 Å²	32.5	19%	0.193	16%	0.162	C	C	.	.			trans	-85.8	75.4	177.7	-174.7	6.4	0	0	0	111.6	Y351 A378 E381 S385 T386	Y351-D383 WeakPolarHBondContact OH-CB 3.22Å; Y351-D383 PolarHBondContact OH-OD2 3.48Å; A378-D383 PolarHBondContact O-N 2.83Å; E381-D383 VanDerWaalsContact C-N 3.33Å; D383-S385 PolarHBondContact O-N 3.32Å; D383-S385 VanDerWaalsContact O-N 3.17Å; D383-S385 PolarHBondContact OD1-N 2.79Å; D383-S385 PolarHBondContact OD1-OG 3.04Å; D383-T386 VanDerWaalsContact O-CB 3.3Å; D383-T386 WeakPolarHBondContact O-CB 3.37Å; D383-T386 PolarHBondContact O-N 3.04Å; D383-T386 PolarHBondContact O-OG1 2.96Å; D383-T386 PolarHBondContact OD2-OG1 2.83Å
384	L	93.4	Very high	95.1	Very high	37 Å²	37	32.5 Å²	32.5	19%	0.194	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-6.9	-174.9	-51.8	-170.2	0	0	0	114.1	G382 T386 P391 F394 A459	G382-L384 PolarHBondContact O-N 2.93Å; G382-L384 VanDerWaalsContact O-N 3.12Å; L384-T386 PolarHBondContact O-N 2.98Å; L384-P391 HydrophobicContact CB-CG 4.21Å; L384-F394 HydrophobicContact CD1-CD1 4.29Å; L384-F394 HydrophobicContact CD2-CB 3.35Å; L384-F394 HydrophobicContact CD2-CD1 3.98Å; L384-F394 HydrophobicContact CD2-CD2 3.67Å; L384-F394 HydrophobicContact CD2-CE2 4.42Å; L384-F394 HydrophobicContact CD2-CG 3.41Å; L384-F394 VanDerWaalsContact CD2-CG 3.41Å; L384-A459 HydrophobicContact CD1-CB 3.78Å; L384-A459 HydrophobicContact CG-CB 4.02Å
385	S	93.7	Very high	94.8	Very high	106 Å²	106	32.6 Å²	32.6	74%	0.741	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-15.4	173.5	77.1	0	0	0	0	112.6	D383 K387	D383-S385 PolarHBondContact O-N 3.32Å; D383-S385 VanDerWaalsContact O-N 3.17Å; D383-S385 PolarHBondContact OD1-N 2.79Å; D383-S385 PolarHBondContact OD1-OG 3.04Å; S385-K387 PolarHBondContact O-N 3.1Å
386	T	95.3	Very high	94.5	Very high	10 Å²	10	32.6 Å²	32.6	6%	0.061	16%	0.162	C	C	.	.	S	Bend	trans	-66.4	130.9	-175.8	-59.7	0	0	0	0	111.4	L347 P375 A378 D383 L384 A390	L347-T386 HydrophobicContact CD1-CG2 3.58Å; L347-T386 HydrophobicContact CD2-CG2 4.19Å; P375-T386 HydrophobicContact CG-CG2 3.92Å; A378-T386 HydrophobicContact CB-CG2 3.9Å; D383-T386 VanDerWaalsContact O-CB 3.3Å; D383-T386 WeakPolarHBondContact O-CB 3.37Å; D383-T386 PolarHBondContact O-N 3.04Å; D383-T386 PolarHBondContact O-OG1 2.96Å; D383-T386 PolarHBondContact OD2-OG1 2.83Å; L384-T386 PolarHBondContact O-N 2.98Å; T386-A390 VanDerWaalsContact O-CB 3.32Å; T386-A390 WeakPolarHBondContact O-CB 3.22Å
387	K	91.6	Very high	94.3	Very high	125 Å²	125	32.2 Å²	32.2	54%	0.543	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	140.3	169.6	-71	-174.3	178.1	-177.9	0	110.6	R344 L347 S385	R344-K387 PolarHBondContact NH1-O 3.44Å; R344-K387 PolarHBondContact NH2-O 3Å; L347-K387 HydrophobicContact CD2-CB 4.35Å; S385-K387 PolarHBondContact O-N 3.1Å
388	Y	90.8	Very high	94	Very high	42 Å²	42	25.8 Å²	25.8	17%	0.165	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	cis	-106.9	154.9	-0.7	-62.3	-78.6	0	0	0	110.3	V218 R222 P373 V374 A390	V218-Y388 HydrophobicContact CG1-CE2 3.92Å; R222-Y388 VanDerWaalsContact NH1-CB 3.31Å; P373-Y388 HydrophobicContact CG-CD2 4.22Å; P373-Y388 PolarHBondContact O-N 3.42Å; V374-Y388 WeakPolarHBondContact CB-O 3.36Å; V374-Y388 WeakPolarHBondContact CG2-O 3.36Å; Y388-A390 PolarHBondContact O-N 3.06Å
389	D	91.9	Very high	93.5	Very high	29 Å²	29	25.9 Å²	25.9	16%	0.155	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	22.9	161.1	-43.5	-47.3	0	0	0	116.5	R222 S365 G372 P391 F392 V393	R222-D389 IonicContact CZ-OD2 2.73Å; R222-D389 IonicContact NH1-OD2 2.73Å; R222-D389 PolarHBondContact NH1-OD2 2.92Å; R222-D389 IonicContact NH2-OD2 2.96Å; S365-D389 WeakPolarHBondContact CB-OD1 3.34Å; S365-D389 VanDerWaalsContact OG-CG 3.29Å; S365-D389 PolarHBondContact OG-OD1 3.45Å; S365-D389 PolarHBondContact OG-OD2 3.44Å; G372-D389 PolarHBondContact N-OD2 3.33Å; D389-P391 VanDerWaalsContact C-CD 3.47Å; D389-F392 PolarHBondContact O-N 2.93Å; D389-V393 PolarHBondContact O-N 3.49Å
390	A	93.4	Very high	93	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.7	-40.1	-178.7	0	0	0	0	0	115	V374 I379 T386 Y388 F392 F394	V374-A390 HydrophobicContact CG2-CB 3.66Å; I379-A390 HydrophobicContact CD1-CB 4.16Å; I379-A390 WeakPolarHBondContact CD1-O 3.33Å; T386-A390 VanDerWaalsContact O-CB 3.32Å; T386-A390 WeakPolarHBondContact O-CB 3.22Å; Y388-A390 PolarHBondContact O-N 3.06Å; A390-F392 VanDerWaalsContact C-N 3.31Å; A390-F392 PolarHBondContact O-N 2.88Å; A390-F394 WeakPolarHBondContact O-CB 3.46Å; A390-F394 PolarHBondContact O-N 2.91Å
391	P	91.1	Very high	92.4	Very high	48 Å²	48	26.8 Å²	26.8	31%	0.312	15%	0.146	S	C	.	.	H	α-helix	trans	-57.1	-43.3	177.3	-24.4	33.5	0	0	0	113.1	L384 D389 A395	L384-P391 HydrophobicContact CB-CG 4.21Å; D389-P391 VanDerWaalsContact C-CD 3.47Å; P391-A395 WeakPolarHBondContact O-CB 3.14Å; P391-A395 PolarHBondContact O-N 3.36Å
392	F	89.4	Confident	91.9	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.018	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-58.7	-179.4	179.6	-103.3	0	0	0	111.4	H305 Q362 E363 D389 A390 F394 A395 E396	H305-F392 AromaticContact CD2-CE2 3.9Å; H305-F392 AromaticContact CD2-CZ 3.94Å; H305-F392 AromaticContact NE2-CE2 3.96Å; Q362-F392 HydrophobicContact CB-CE2 4.38Å; Q362-F392 HydrophobicContact CB-CZ 3.71Å; E363-F392 HydrophobicContact CB-CD2 4.05Å; E363-F392 HydrophobicContact CB-CE2 4.09Å; E363-F392 HydrophobicContact CB-CG 4.49Å; E363-F392 VanDerWaalsContact OE2-CB 3.27Å; E363-F392 WeakPolarHBondContact OE2-CB 3.46Å; E363-F392 WeakPolarHBondContact OE2-CD2 3.05Å; E363-F392 VanDerWaalsContact OE2-CG 3.29Å; E363-F392 WeakPolarHBondContact OE2-CG 3.02Å; D389-F392 PolarHBondContact O-N 2.93Å; A390-F392 VanDerWaalsContact C-N 3.31Å; A390-F392 PolarHBondContact O-N 2.88Å; F392-F394 PolarHBondContact O-N 3.04Å; F392-A395 WeakPolarHBondContact O-CB 3.35Å; F392-A395 PolarHBondContact O-N 3.49Å; F392-E396 HydrophobicContact CD1-CG 4.45Å; F392-E396 WeakPolarHBondContact CD1-OE1 3.27Å; F392-E396 HydrophobicContact CE1-CG 4.16Å; F392-E396 WeakPolarHBondContact CE1-OE1 3.21Å; F392-E396 HydrophobicContact CZ-CG 4.33Å; F392-E396 WeakPolarHBondContact O-CG 3.46Å; F392-E396 PolarHBondContact O-N 3.2Å
393	V	93.4	Very high	91.5	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.018	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-31.7	-178.1	-179.7	0	0	0	0	111.5	A356 V374 I379 D389 Y443	A356-V393 HydrophobicContact CB-CG1 4.26Å; V374-V393 HydrophobicContact CG1-CB 4Å; V374-V393 HydrophobicContact CG1-CG1 4.03Å; V374-V393 HydrophobicContact CG1-CG2 3.85Å; I379-V393 HydrophobicContact CD1-CB 3.9Å; I379-V393 HydrophobicContact CD1-CG1 4.03Å; I379-V393 HydrophobicContact CG1-CB 4.4Å; I379-V393 HydrophobicContact CG1-CG1 3.96Å; D389-V393 PolarHBondContact O-N 3.49Å; V393-Y443 HydrophobicContact CG1-CE1 4.37Å
394	F	94.1	Very high	91.3	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-66.7	-44.2	173.6	-173.4	-90.9	0	0	0	111.9	L311 I379 L384 A390 F392 E396 V397 N398 F456 A459	L311-F394 HydrophobicContact CD1-CD1 4.08Å; L311-F394 HydrophobicContact CD1-CE1 3.9Å; L311-F394 HydrophobicContact CD2-CD1 3.8Å; L311-F394 HydrophobicContact CD2-CE1 4.36Å; I379-F394 HydrophobicContact CD1-CB 4.16Å; I379-F394 HydrophobicContact CG2-CB 4.35Å; I379-F394 HydrophobicContact CG2-CD2 3.98Å; I379-F394 WeakPolarHBondContact O-CD2 3.31Å; I379-F394 WeakPolarHBondContact O-CE2 3.33Å; L384-F394 HydrophobicContact CD1-CD1 4.29Å; L384-F394 HydrophobicContact CD2-CB 3.35Å; L384-F394 HydrophobicContact CD2-CD1 3.98Å; L384-F394 HydrophobicContact CD2-CD2 3.67Å; L384-F394 HydrophobicContact CD2-CE2 4.42Å; L384-F394 HydrophobicContact CD2-CG 3.41Å; L384-F394 VanDerWaalsContact CD2-CG 3.41Å; A390-F394 WeakPolarHBondContact O-CB 3.46Å; A390-F394 PolarHBondContact O-N 2.91Å; F392-F394 PolarHBondContact O-N 3.04Å; F394-E396 VanDerWaalsContact C-N 3.29Å; F394-E396 PolarHBondContact O-N 3.44Å; F394-V397 WeakPolarHBondContact O-CG2 3.3Å; F394-V397 PolarHBondContact O-N 3.22Å; F394-N398 HydrophobicContact CD1-CB 3.93Å; F394-N398 HydrophobicContact CE1-CB 3.61Å; F394-N398 HydrophobicContact CE2-CB 4.45Å; F394-N398 WeakPolarHBondContact CE2-ND2 3.28Å; F394-N398 HydrophobicContact CG-CB 4.48Å; F394-N398 HydrophobicContact CZ-CB 3.91Å; F394-N398 WeakPolarHBondContact CZ-ND2 3.39Å; F394-N398 VanDerWaalsContact O-CB 3.31Å; F394-N398 WeakPolarHBondContact O-CB 3.46Å; F394-N398 PolarHBondContact O-N 2.79Å; F394-F456 HydrophobicContact CE1-CD1 4.43Å; F394-F456 AromaticContact CZ-CD1 3.86Å; F394-F456 HydrophobicContact CZ-CD1 3.86Å; F394-F456 HydrophobicContact CZ-CE1 4Å; F394-A459 HydrophobicContact CD1-CB 4.48Å; F394-A459 HydrophobicContact CE1-CB 3.74Å; F394-A459 HydrophobicContact CE2-CB 4.37Å; F394-A459 HydrophobicContact CZ-CB 3.67Å
395	A	90.8	Very high	91.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-59.3	-42.2	176.7	0	0	0	0	0	111.3	A304 D306 L311 P391 F392 V397 N398 A399	A304-A395 WeakPolarHBondContact CB-O 3.37Å; D306-A395 HydrophobicContact CB-CB 3.69Å; L311-A395 HydrophobicContact CD2-CB 3.57Å; P391-A395 WeakPolarHBondContact O-CB 3.14Å; P391-A395 PolarHBondContact O-N 3.36Å; F392-A395 WeakPolarHBondContact O-CB 3.35Å; F392-A395 PolarHBondContact O-N 3.49Å; A395-V397 PolarHBondContact O-N 2.84Å; A395-N398 PolarHBondContact O-N 3.33Å; A395-A399 WeakPolarHBondContact O-CB 3.27Å; A395-A399 PolarHBondContact O-N 3.08Å
396	E	92.4	Very high	91	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-53.5	-32.3	179.1	-67.1	-164	-119.3	0	0	114.4	N300 S303 A304 H335 W337 F392 F394 V422	N300-E396 PolarHBondContact ND2-O 3.09Å; S303-E396 PolarHBondContact OG-OE2 2.97Å; A304-E396 PolarHBondContact N-O 2.91Å; A304-E396 VanDerWaalsContact N-O 3.15Å; A304-E396 VanDerWaalsContact O-CA 3.31Å; A304-E396 WeakPolarHBondContact O-CA 3.21Å; A304-E396 WeakPolarHBondContact O-CG 3.24Å; H335-E396 IonicContact CD2-OE2 3.96Å; H335-E396 PolarHBondContact CD2-OE2 2.97Å; H335-E396 IonicContact NE2-OE2 3.29Å; W337-E396 WeakPolarHBondContact CZ3-OE2 3.38Å; F392-E396 HydrophobicContact CD1-CG 4.45Å; F392-E396 WeakPolarHBondContact CD1-OE1 3.27Å; F392-E396 HydrophobicContact CE1-CG 4.16Å; F392-E396 WeakPolarHBondContact CE1-OE1 3.21Å; F392-E396 HydrophobicContact CZ-CG 4.33Å; F392-E396 WeakPolarHBondContact O-CG 3.46Å; F392-E396 PolarHBondContact O-N 3.2Å; F394-E396 VanDerWaalsContact C-N 3.29Å; F394-E396 PolarHBondContact O-N 3.44Å; E396-V422 WeakPolarHBondContact O-CG1 3.44Å
397	V	94.7	Very high	90.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-107.2	-19.5	-177.3	-57.5	0	0	0	0	113.4	W337 I379 F394 A395 G423 I426 Y443 K444	W337-V397 HydrophobicContact CH2-CG1 3.92Å; I379-V397 HydrophobicContact CG2-CG2 3.77Å; F394-V397 WeakPolarHBondContact O-CG2 3.3Å; F394-V397 PolarHBondContact O-N 3.22Å; A395-V397 PolarHBondContact O-N 2.84Å; V397-G423 WeakPolarHBondContact O-CA 3.47Å; V397-I426 HydrophobicContact CB-CD1 4.42Å; V397-I426 HydrophobicContact CG1-CD1 3.89Å; V397-Y443 HydrophobicContact CG1-CD1 4.13Å; V397-Y443 HydrophobicContact CG2-CD1 4.42Å; V397-K444 HydrophobicContact CB-CD 4.14Å; V397-K444 HydrophobicContact CG2-CD 4.44Å; V397-K444 HydrophobicContact CG2-CG 4.39Å; V397-K444 WeakPolarHBondContact O-CD 3.21Å; V397-K444 WeakPolarHBondContact O-CE 3.45Å; V397-K444 PolarHBondContact O-NZ 3.13Å
398	N	92.7	Very high	89.6	Confident	4 Å²	4	26.3 Å²	26.3	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-124.9	-3.5	-171.9	-75.1	-48.8	0	0	0	116.2	F394 A395 K444 F456 H461 K464	F394-N398 HydrophobicContact CD1-CB 3.93Å; F394-N398 HydrophobicContact CE1-CB 3.61Å; F394-N398 HydrophobicContact CE2-CB 4.45Å; F394-N398 WeakPolarHBondContact CE2-ND2 3.28Å; F394-N398 HydrophobicContact CG-CB 4.48Å; F394-N398 HydrophobicContact CZ-CB 3.91Å; F394-N398 WeakPolarHBondContact CZ-ND2 3.39Å; F394-N398 VanDerWaalsContact O-CB 3.31Å; F394-N398 WeakPolarHBondContact O-CB 3.46Å; F394-N398 PolarHBondContact O-N 2.79Å; A395-N398 PolarHBondContact O-N 3.33Å; N398-K444 WeakPolarHBondContact OD1-CD 3.33Å; N398-K444 WeakPolarHBondContact OD1-CE 3.27Å; N398-K444 WeakPolarHBondContact OD1-CG 3.35Å; N398-F456 HydrophobicContact CB-CE1 4Å; N398-H461 PolarHBondContact O-NE2 2.88Å; N398-K464 VanDerWaalsContact O-CE 3.27Å; N398-K464 WeakPolarHBondContact O-CE 3.44Å; N398-K464 PolarHBondContact O-NZ 2.84Å
399	A	88.9	Confident	89.2	Confident	3 Å²	3	30.5 Å²	30.5	3%	0.025	16%	0.16	C	C	.	.			trans	-55.2	144.6	179.2	0	0	0	0	0	112.1	A304 L311 I313 A395 V422	A304-A399 HydrophobicContact CB-CB 3.59Å; L311-A399 WeakPolarHBondContact O-CA 3.42Å; I313-A399 HydrophobicContact CD1-CB 4.2Å; A395-A399 WeakPolarHBondContact O-CB 3.27Å; A395-A399 PolarHBondContact O-N 3.08Å; A399-V422 HydrophobicContact CB-CG1 4.39Å; A399-V422 WeakPolarHBondContact O-CB 3.48Å
400	D	85.9	Confident	88.7	Confident	35 Å²	35	31.3 Å²	31.3	19%	0.187	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	145.9	167.7	-83.3	-24.8	0	0	0	110.5	L311 L312 I313 H461 N463 K464	L311-D400 PolarHBondContact O-N 3.25Å; L312-D400 HydrophobicContact CD1-CB 4.1Å; I313-D400 PolarHBondContact N-O 2.88Å; D400-H461 IonicContact OD2-CE1 3.49Å; D400-H461 PolarHBondContact OD2-CE1 2.76Å; D400-H461 VanDerWaalsContact OD2-CE1 3.26Å; D400-H461 IonicContact OD2-NE2 2.86Å; D400-N463 WeakPolarHBondContact OD2-CB 3.15Å; D400-K464 WeakPolarHBondContact OD1-CE 3.46Å; D400-K464 WeakPolarHBondContact OD1-CG 3.38Å; D400-K464 WeakPolarHBondContact OD2-CG 3.39Å; D400-K464 PolarHBondContact OD2-N 3.16Å
401	V	86.4	Confident	88.2	Confident	34 Å²	34	33.6 Å²	33.6	21%	0.206	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.3	172.9	-177.5	0	0	0	0	108.5	I313 Y315 I331 L420 V422	I313-V401 HydrophobicContact CB-CG2 4.41Å; I313-V401 CarbonylContact O-C 3.53Å; I313-V401 WeakPolarHBondContact O-CA 3.49Å; Y315-V401 HydrophobicContact CD2-CG1 3.53Å; Y315-V401 HydrophobicContact CE2-CG1 3.5Å; Y315-V401 VanDerWaalsContact CE2-CG1 3.5Å; I331-V401 HydrophobicContact CD1-CG2 3.87Å; I331-V401 HydrophobicContact CG1-CG2 4.03Å; V401-L420 HydrophobicContact CB-CD2 4.21Å; V401-L420 HydrophobicContact CG1-CD2 3.85Å; V401-L420 HydrophobicContact CG2-CD2 4.21Å; V401-V422 HydrophobicContact CG2-CG2 3.73Å
402	V	87.1	Confident	88.2	Confident	22 Å²	22	34.5 Å²	34.5	13%	0.133	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.3	175	177.8	0	0	0	0	109.4	L312 I313 E314 Y315 W404 K414	L312-V402 HydrophobicContact CD1-CB 4.23Å; L312-V402 HydrophobicContact CD1-CG2 3.53Å; I313-V402 PolarHBondContact O-N 3.02Å; E314-V402 WeakPolarHBondContact CA-O 3.46Å; Y315-V402 PolarHBondContact N-O 3.09Å; V402-W404 HydrophobicContact CG1-CD2 4.28Å; V402-W404 HydrophobicContact CG1-CZ2 3.97Å; V402-K414 HydrophobicContact CG1-CD 4.42Å; V402-K414 HydrophobicContact CG1-CG 4.22Å
403	D	88.8	Confident	88.2	Confident	3 Å²	3	35.5 Å²	35.5	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111.3	179.7	-69.8	-60.5	0	0	0	110.3	Y315 R317 S415 N417 L577	Y315-D403 WeakPolarHBondContact CD2-OD1 3.3Å; R317-D403 IonicContact CZ-OD1 3.45Å; R317-D403 IonicContact NE-OD1 3.79Å; R317-D403 PolarHBondContact NE-OD1 2.94Å; R317-D403 IonicContact NH2-OD1 3.69Å; R317-D403 PolarHBondContact NH2-OD1 2.91Å; R317-D403 IonicContact NH2-OD2 3.26Å; D403-S415 WeakPolarHBondContact CB-OG 3.47Å; D403-S415 PolarHBondContact O-N 2.95Å; D403-S415 PolarHBondContact O-OG 2.82Å; D403-N417 WeakPolarHBondContact OD2-CB 3.41Å; D403-N417 PolarHBondContact OD2-ND2 2.92Å; D403-L577 HydrophobicContact CB-CD2 3.99Å
404	W	90.9	Very high	88	Confident	61 Å²	61	41.6 Å²	41.6	23%	0.231	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130.7	175.1	-62.2	104.8	0	0	0	110.5	E314 Y315 F316 R317 V402 V412 K414	E314-W404 PolarHBondContact OE1-NE1 3.31Å; Y315-W404 PolarHBondContact O-N 2.82Å; F316-W404 HydrophobicContact CD1-CB 3.85Å; F316-W404 HydrophobicContact CD1-CG 4.25Å; F316-W404 HydrophobicContact CE1-CB 4.11Å; F316-W404 AromaticContact CE1-CD1 3.88Å; F316-W404 HydrophobicContact CE1-CG 4.02Å; R317-W404 WeakPolarHBondContact CB-O 3.43Å; R317-W404 PolarHBondContact N-O 3.21Å; V402-W404 HydrophobicContact CG1-CD2 4.28Å; V402-W404 HydrophobicContact CG1-CZ2 3.97Å; W404-V412 HydrophobicContact CB-CB 4.48Å; W404-V412 HydrophobicContact CE3-CB 4.3Å; W404-V412 HydrophobicContact CE3-CG2 4.21Å; W404-K414 HydrophobicContact CE3-CB 3.99Å; W404-K414 HydrophobicContact CH2-CB 4.21Å; W404-K414 HydrophobicContact CZ3-CB 3.68Å; W404-K414 HydrophobicContact CZ3-CG 4.48Å
405	I	91.5	Very high	87.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	116.4	171.8	-49.9	-55.8	0	0	0	108.7	R317 V412 S413 L566 Y575	R317-I405 HydrophobicContact CB-CD1 3.86Å; I405-V412 WeakPolarHBondContact O-CA 3.26Å; I405-S413 PolarHBondContact N-O 2.9Å; I405-S413 PolarHBondContact O-N 3.15Å; I405-L566 HydrophobicContact CD1-CD1 4.25Å; I405-L566 HydrophobicContact CD1-CD2 4.5Å; I405-Y575 HydrophobicContact CB-CD1 4.02Å; I405-Y575 HydrophobicContact CB-CE1 4.31Å; I405-Y575 HydrophobicContact CB-CG 4.26Å; I405-Y575 HydrophobicContact CG1-CD1 3.81Å; I405-Y575 HydrophobicContact CG1-CG 3.9Å; I405-Y575 HydrophobicContact CG2-CD1 3.89Å; I405-Y575 HydrophobicContact CG2-CE1 3.85Å
406	Q	89.5	Confident	87.7	Confident	80 Å²	80	43.1 Å²	43.1	37%	0.374	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	128	175.8	-170.3	174.9	17.1	0	0	110.3	R317 S411 V412	R317-Q406 WeakPolarHBondContact O-CB 3.42Å; R317-Q406 PolarHBondContact O-N 2.93Å; Q406-S411 WeakPolarHBondContact CA-O 3.41Å; Q406-V412 HydrophobicContact CB-CG1 4.19Å; Q406-V412 HydrophobicContact CG-CG1 4.22Å
407	Q	81.5	Confident	87.4	Confident	38 Å²	38	44.6 Å²	44.6	18%	0.178	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-90.9	164.1	174.8	-55.7	-57.4	-49.5	0	0	111.1	D409 G410 S411 Y575	Q407-D409 WeakPolarHBondContact CB-OD1 3.33Å; Q407-D409 PolarHBondContact O-N 3.08Å; Q407-G410 PolarHBondContact O-N 3Å; Q407-S411 PolarHBondContact N-O 3.47Å; Q407-Y575 VanDerWaalsContact CD-OH 3.29Å; Q407-Y575 PolarHBondContact NE2-OH 3.12Å; Q407-Y575 PolarHBondContact OE1-OH 2.96Å
408	D	77.1	Confident	86.9	Confident	144 Å²	144	50.7 Å²	50.7	77%	0.77	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.2	178	-70	-20	0	0	0	113.7	G410	D408-G410 PolarHBondContact O-N 3.15Å
409	D	81.3	Confident	86.2	Confident	129 Å²	129	52.2 Å²	52.2	69%	0.69	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-0.8	176.8	70.9	-0.4	0	0	0	113.5	Q407 S411	Q407-D409 WeakPolarHBondContact CB-OD1 3.33Å; Q407-D409 PolarHBondContact O-N 3.08Å; D409-S411 VanDerWaalsContact C-N 3.34Å; D409-S411 WeakPolarHBondContact OD1-CB 3.47Å; D409-S411 PolarHBondContact OD1-N 3.14Å; D409-S411 PolarHBondContact OD1-OG 2.96Å
410	G	81.1	Confident	85.9	Confident	46 Å²	46	53.6 Å²	53.6	47%	0.474	29%	0.286	S	S	.	.	S	Bend	trans	85.5	-2.2	-179	0	0	0	0	0	114.7	Q407 D408	Q407-G410 PolarHBondContact O-N 3Å; D408-G410 PolarHBondContact O-N 3.15Å
411	S	84.9	Confident	85.8	Confident	49 Å²	49	54.5 Å²	54.5	34%	0.343	29%	0.293	S	S	.	.			trans	-71.5	151.3	173.3	68.6	0	0	0	0	111.7	Q406 Q407 D409	Q406-S411 WeakPolarHBondContact CA-O 3.41Å; Q407-S411 PolarHBondContact N-O 3.47Å; D409-S411 VanDerWaalsContact C-N 3.34Å; D409-S411 WeakPolarHBondContact OD1-CB 3.47Å; D409-S411 PolarHBondContact OD1-N 3.14Å; D409-S411 PolarHBondContact OD1-OG 2.96Å
412	V	89.4	Confident	86.1	Confident	66 Å²	66	53.1 Å²	53.1	40%	0.4	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.4	176.1	-66.3	0	0	0	0	110	F316 W404 I405 Q406	F316-V412 HydrophobicContact CD1-CG1 4.16Å; F316-V412 HydrophobicContact CE1-CG1 4.36Å; W404-V412 HydrophobicContact CB-CB 4.48Å; W404-V412 HydrophobicContact CE3-CB 4.3Å; W404-V412 HydrophobicContact CE3-CG2 4.21Å; I405-V412 WeakPolarHBondContact O-CA 3.26Å; Q406-V412 HydrophobicContact CB-CG1 4.19Å; Q406-V412 HydrophobicContact CG-CG1 4.22Å
413	S	89.6	Confident	86.4	Confident	25 Å²	25	52.1 Å²	52.1	18%	0.175	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.9	177.1	-63.6	0	0	0	0	109.7	I405 S415	I405-S413 PolarHBondContact N-O 2.9Å; I405-S413 PolarHBondContact O-N 3.15Å; S413-S415 PolarHBondContact O-N 2.85Å
414	K	89.8	Confident	86.7	Confident	132 Å²	132	54.1 Å²	54.1	57%	0.574	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	129.8	175.3	-171.4	176.2	179.7	-179.9	0	109.1	V402 W404	V402-K414 HydrophobicContact CG1-CD 4.42Å; V402-K414 HydrophobicContact CG1-CG 4.22Å; W404-K414 HydrophobicContact CE3-CB 3.99Å; W404-K414 HydrophobicContact CH2-CB 4.21Å; W404-K414 HydrophobicContact CZ3-CB 3.68Å; W404-K414 HydrophobicContact CZ3-CG 4.48Å
415	S	90.6	Very high	87.1	Confident	6 Å²	6	55.8 Å²	55.8	4%	0.042	30%	0.298	C	S	.	.			trans	-96	158.1	171.9	68.5	0	0	0	0	111.8	D403 S413 Y575	D403-S415 WeakPolarHBondContact CB-OG 3.47Å; D403-S415 PolarHBondContact O-N 2.95Å; D403-S415 PolarHBondContact O-OG 2.82Å; S413-S415 PolarHBondContact O-N 2.85Å; S415-Y575 WeakPolarHBondContact CA-O 3.45Å; S415-Y575 WeakPolarHBondContact CB-O 3.49Å
416	I	88.6	Confident	87.4	Confident	28 Å²	28	55.8 Å²	55.8	14%	0.144	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	111.1	174.5	-62.7	168.8	0	0	0	108.1	R418 T471 Y575 L576 L577	I416-R418 HydrophobicContact CG2-CG 4.07Å; I416-T471 HydrophobicContact CD1-CG2 3.24Å; I416-T471 WeakPolarHBondContact CD1-OG1 3.15Å; I416-Y575 PolarHBondContact N-O 3.47Å; I416-L576 HydrophobicContact CB-CD2 3.78Å; I416-L576 HydrophobicContact CD1-CD2 4.47Å; I416-L576 HydrophobicContact CG2-CD2 3.89Å; I416-L577 PolarHBondContact O-N 2.84Å
417	N	85.4	Confident	87.9	Confident	32 Å²	32	52 Å²	52	17%	0.171	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	104.2	174.2	-173.1	-5	0	0	0	110.2	D403 S419 L420 L577	D403-N417 WeakPolarHBondContact OD2-CB 3.41Å; D403-N417 PolarHBondContact OD2-ND2 2.92Å; N417-S419 PolarHBondContact OD1-N 2.82Å; N417-S419 PolarHBondContact OD1-OG 2.6Å; N417-L420 PolarHBondContact OD1-N 3.45Å; N417-L577 HydrophobicContact CB-CB 4.2Å; N417-L577 HydrophobicContact CB-CD2 4.37Å
418	R	83.6	Confident	88.7	Confident	127 Å²	127	50.3 Å²	50.3	48%	0.479	27%	0.273	S	S	.	.			trans	-96.5	0.1	176.1	-61.2	-179.6	-175.5	133.8	-0	112.8	I416 T471 M473	I416-R418 HydrophobicContact CG2-CG 4.07Å; R418-T471 PolarHBondContact NH2-O 3.44Å; R418-T471 PolarHBondContact NH2-OG1 2.85Å; R418-M473 PolarHBondContact NH1-O 3.13Å; R418-M473 VanDerWaalsContact NH1-O 3.11Å
419	S	78.4	Confident	89.7	Confident	36 Å²	36	44.1 Å²	44.1	25%	0.252	24%	0.239	S	C	.	.	S	Bend	trans	-94.4	-26.5	-172.3	67.6	0	0	0	0	113.4	N417 A578 E579	N417-S419 PolarHBondContact OD1-N 2.82Å; N417-S419 PolarHBondContact OD1-OG 2.6Å; S419-A578 WeakPolarHBondContact OG-CA 3.28Å; S419-E579 WeakPolarHBondContact CB-O 3.38Å; S419-E579 PolarHBondContact OG-N 3.06Å; S419-E579 PolarHBondContact OG-O 2.91Å
420	L	82	Confident	90.5	Very high	33 Å²	33	38.2 Å²	38.2	17%	0.173	21%	0.208	C	C	.	.			trans	-101.7	121.6	178.9	-176.5	61.1	0	0	0	109.9	N302 I331 V401 N417	N302-L420 HydrophobicContact CB-CD1 4.34Å; I331-L420 HydrophobicContact CG1-CD2 4.33Å; I331-L420 HydrophobicContact CG2-CD1 4.46Å; V401-L420 HydrophobicContact CB-CD2 4.21Å; V401-L420 HydrophobicContact CG1-CD2 3.85Å; V401-L420 HydrophobicContact CG2-CD2 4.21Å; N417-L420 PolarHBondContact OD1-N 3.45Å
421	T	85.1	Confident	91.4	Very high	53 Å²	53	37.1 Å²	37.1	33%	0.325	19%	0.192	S	C	.	.			trans	-135.8	129.1	171.9	-51	0	0	0	0	106.9	N302 L424	N302-T421 WeakPolarHBondContact CB-O 3.37Å; N302-T421 PolarHBondContact ND2-O 3.07Å; T421-L424 HydrophobicContact CG2-CD2 4.2Å; T421-L424 WeakPolarHBondContact O-CD1 3.24Å; T421-L424 WeakPolarHBondContact O-CG 3.48Å
422	V	91.9	Very high	92	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.03	21%	0.208	C	C	.	.	S	Bend	trans	-76.2	147	178.7	170.5	0	0	0	0	110.1	N302 A304 I331 E396 A399 V401 K444	N302-V422 VanDerWaalsContact O-CA 3.28Å; N302-V422 WeakPolarHBondContact O-CA 3.24Å; N302-V422 WeakPolarHBondContact O-CG1 3.31Å; A304-V422 HydrophobicContact CB-CG1 3.58Å; A304-V422 HydrophobicContact CB-CG2 4.11Å; I331-V422 HydrophobicContact CD1-CG2 4.14Å; E396-V422 WeakPolarHBondContact O-CG1 3.44Å; A399-V422 HydrophobicContact CB-CG1 4.39Å; A399-V422 WeakPolarHBondContact O-CB 3.48Å; V401-V422 HydrophobicContact CG2-CG2 3.73Å; V422-K444 PolarHBondContact O-NZ 3.11Å
423	G	94.8	Very high	92.4	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.01	22%	0.216	C	C	.	.	S	Bend	trans	72.6	58	173.8	0	0	0	0	0	112.9	N300 N302 V397 K444	N300-G423 WeakPolarHBondContact OD1-CA 3.36Å; N302-G423 PolarHBondContact O-N 3.26Å; N302-G423 VanDerWaalsContact O-N 3.12Å; V397-G423 WeakPolarHBondContact O-CA 3.47Å; G423-K444 PolarHBondContact O-NZ 2.8Å; G423-K444 VanDerWaalsContact O-NZ 3.13Å
424	L	95	Very high	92.9	Very high	46 Å²	46	43 Å²	43	24%	0.241	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	146.9	-177.1	-73.7	-177.8	0	0	0	112.4	A172 Y301 T421 I426	A172-L424 HydrophobicContact CB-CB 4.37Å; A172-L424 HydrophobicContact CB-CD1 4.32Å; Y301-L424 WeakPolarHBondContact CB-O 3.35Å; Y301-L424 PolarHBondContact N-O 2.8Å; Y301-L424 PolarHBondContact O-N 3.48Å; T421-L424 HydrophobicContact CG2-CD2 4.2Å; T421-L424 WeakPolarHBondContact O-CD1 3.24Å; T421-L424 WeakPolarHBondContact O-CG 3.48Å; L424-I426 PolarHBondContact O-N 2.7Å; L424-I426 VanDerWaalsContact O-N 3.11Å
425	K	97.5	Very high	93.3	Very high	95 Å²	95	42.2 Å²	42.2	41%	0.413	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	47.3	45.9	168.7	-60.7	-60.5	-176	-173.1	0	112	I175 Y301 S427 D438 T440	I175-K425 HydrophobicContact CD1-CB 3.89Å; I175-K425 HydrophobicContact CD1-CG 4.29Å; Y301-K425 HydrophobicContact CD2-CB 3.94Å; Y301-K425 WeakPolarHBondContact CD2-O 3.5Å; Y301-K425 HydrophobicContact CE2-CB 4.49Å; K425-S427 WeakPolarHBondContact O-CB 3.24Å; K425-S427 PolarHBondContact O-N 2.85Å; K425-S427 VanDerWaalsContact O-N 3.11Å; K425-S427 PolarHBondContact O-OG 2.92Å; K425-D438 WeakPolarHBondContact CD-OD2 3.27Å; K425-T440 WeakPolarHBondContact CA-OG1 3.48Å; K425-T440 PolarHBondContact N-OG1 3.42Å
426	I	98.7	Very high	93.7	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	120.4	179.7	-52.4	178.5	0	0	0	107.2	V298 T299 N300 V397 L424 D438 I439 T440 Y443	V298-I426 HydrophobicContact CG1-CG2 3.41Å; V298-I426 VanDerWaalsContact CG1-CG2 3.41Å; T299-I426 CarbonylContact O-C 3.55Å; T299-I426 VanDerWaalsContact O-CA 3.24Å; T299-I426 WeakPolarHBondContact O-CA 3.26Å; N300-I426 HydrophobicContact CB-CG1 4.41Å; N300-I426 WeakPolarHBondContact OD1-CG1 3.42Å; V397-I426 HydrophobicContact CB-CD1 4.42Å; V397-I426 HydrophobicContact CG1-CD1 3.89Å; L424-I426 PolarHBondContact O-N 2.7Å; L424-I426 VanDerWaalsContact O-N 3.11Å; I426-D438 CarbonylContact O-C 3.57Å; I426-I439 HydrophobicContact CB-CG1 4.28Å; I426-I439 HydrophobicContact CG2-CD1 4.21Å; I426-I439 HydrophobicContact CG2-CG1 3.81Å; I426-I439 PolarHBondContact O-N 3.05Å; I426-T440 HydrophobicContact CD1-CG2 4.42Å; I426-T440 HydrophobicContact CG1-CG2 4.32Å; I426-T440 PolarHBondContact N-OG1 2.84Å; I426-T440 PolarHBondContact O-N 2.93Å; I426-Y443 HydrophobicContact CD1-CD2 3.77Å; I426-Y443 HydrophobicContact CD1-CG 3.76Å; I426-Y443 HydrophobicContact CG2-CD2 4.03Å; I426-Y443 HydrophobicContact CG2-CE2 4.01Å
427	S	98.9	Very high	94.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142	-161.9	-64.4	0	0	0	0	112.2	V298 T299 K425 R436 E437	V298-S427 WeakPolarHBondContact CA-O 3.47Å; T299-S427 PolarHBondContact N-O 3.41Å; T299-S427 PolarHBondContact O-N 3.05Å; K425-S427 WeakPolarHBondContact O-CB 3.24Å; K425-S427 PolarHBondContact O-N 2.85Å; K425-S427 VanDerWaalsContact O-N 3.11Å; K425-S427 PolarHBondContact O-OG 2.92Å; S427-R436 WeakPolarHBondContact OG-CD 3.4Å; S427-R436 PolarHBondContact OG-NH1 3.2Å; S427-E437 WeakPolarHBondContact CA-O 3.38Å
428	T	98.9	Very high	94.8	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.025	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	169.8	168.4	-165.6	0	0	0	0	110.2	Y168 V297 E437 I439	Y168-T428 VanDerWaalsContact CE2-O 3.31Å; Y168-T428 WeakPolarHBondContact CE2-O 3.18Å; V297-T428 WeakPolarHBondContact O-CB 3.23Å; V297-T428 PolarHBondContact O-OG1 3.45Å; T428-E437 HydrophobicContact CG2-CB 4.21Å; T428-E437 PolarHBondContact N-O 2.54Å; T428-E437 PolarHBondContact O-N 3.25Å; T428-I439 HydrophobicContact CG2-CD1 4.1Å; T428-I439 HydrophobicContact CG2-CG2 3.95Å
429	K	98.8	Very high	95.5	Very high	14 Å²	14	42.4 Å²	42.4	6%	0.061	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	134.2	177.7	178.8	-176.3	169.1	-61.6	0	108.2	E158 F166 Y168 R433	E158-K429 WeakPolarHBondContact OE1-CD 3.07Å; E158-K429 IonicContact OE1-NZ 3.74Å; E158-K429 PolarHBondContact OE1-NZ 3.46Å; E158-K429 IonicContact OE2-NZ 3.74Å; E158-K429 PolarHBondContact OE2-NZ 2.69Å; F166-K429 HydrophobicContact CD2-CD 4.01Å; F166-K429 HydrophobicContact CD2-CG 4.22Å; Y168-K429 HydrophobicContact CE2-CB 4.38Å; K429-R433 WeakPolarHBondContact CE-O 3.47Å; K429-R433 WeakPolarHBondContact CG-O 3.48Å; K429-R433 PolarHBondContact NZ-O 3.32Å
430	S	98.7	Very high	96.5	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.028	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-70.1	150.6	176.6	61.2	0	0	0	0	112.3	G432 R433 E435	S430-G432 PolarHBondContact O-N 3.32Å; S430-R433 PolarHBondContact O-N 3.38Å; S430-R433 VanDerWaalsContact O-O 3.04Å; S430-R433 WeakPolarHBondContact OG-CB 3.21Å; S430-E435 VanDerWaalsContact CB-O 3.31Å; S430-E435 WeakPolarHBondContact CB-O 3.38Å; S430-E435 PolarHBondContact N-O 2.85Å; S430-E435 PolarHBondContact OG-O 2.82Å
431	V	98.9	Very high	97.3	Very high	23 Å²	23	45.8 Å²	45.8	14%	0.139	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	125	177.8	-179.4	0	0	0	0	110.9	E154 E155 E158 Y159 R433	E154-V431 VanDerWaalsContact C-CG1 3.47Å; E154-V431 HydrophobicContact CB-CG1 3.67Å; E154-V431 VanDerWaalsContact O-CG1 3.31Å; E154-V431 WeakPolarHBondContact O-CG1 3.45Å; E155-V431 HydrophobicContact CG-CG1 4.43Å; E155-V431 HydrophobicContact CG-CG2 4.06Å; E158-V431 HydrophobicContact CB-CB 4.4Å; E158-V431 HydrophobicContact CB-CG1 3.97Å; E158-V431 HydrophobicContact CB-CG2 4.44Å; E158-V431 HydrophobicContact CG-CG2 4.48Å; Y159-V431 HydrophobicContact CE1-CG2 4.37Å; Y159-V431 HydrophobicContact CE2-CG2 3.92Å; Y159-V431 VanDerWaalsContact OH-CG2 3.26Å; Y159-V431 WeakPolarHBondContact OH-CG2 3.37Å; V431-R433 PolarHBondContact O-N 2.81Å; V431-R433 VanDerWaalsContact O-N 3.1Å
432	G	98	Very high	97.9	Very high	66 Å²	66	44.9 Å²	44.9	68%	0.68	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.9	6	175	0	0	0	0	0	115.2	E158 S430	E158-G432 PolarHBondContact OE2-N 2.83Å; E158-G432 VanDerWaalsContact OE2-N 3.1Å; S430-G432 PolarHBondContact O-N 3.32Å
433	R	98.1	Very high	98.2	Very high	150 Å²	150	44.7 Å²	44.7	57%	0.566	23%	0.226	S	C	*	.	S	Bend	trans	-141.5	156	-164.9	-86	-172.7	-58.8	177.4	3.7	112.6	K429 S430 V431 E435	K429-R433 WeakPolarHBondContact CE-O 3.47Å; K429-R433 WeakPolarHBondContact CG-O 3.48Å; K429-R433 PolarHBondContact NZ-O 3.32Å; S430-R433 PolarHBondContact O-N 3.38Å; S430-R433 VanDerWaalsContact O-O 3.04Å; S430-R433 WeakPolarHBondContact OG-CB 3.21Å; V431-R433 PolarHBondContact O-N 2.81Å; V431-R433 VanDerWaalsContact O-N 3.1Å; R433-E435 VanDerWaalsContact CB-OE2 3.24Å; R433-E435 WeakPolarHBondContact CB-OE2 3.48Å
434	D	98.6	Very high	98.3	Very high	47 Å²	47	45.8 Å²	45.8	25%	0.251	23%	0.23	S	C	.	.	S	Bend	trans	-90.6	-6.7	-178.4	-84.5	-5.2	0	0	0	112.4	F166 K663 N681	F166-D434 HydrophobicContact CE2-CB 3.62Å; F166-D434 VanDerWaalsContact CE2-CG 3.46Å; F166-D434 WeakPolarHBondContact CE2-O 3.38Å; F166-D434 WeakPolarHBondContact CE2-OD1 3.47Å; F166-D434 HydrophobicContact CZ-CB 4.28Å; D434-K663 IonicContact OD1-NZ 3.57Å; D434-K663 PolarHBondContact OD1-NZ 3.33Å; D434-K663 IonicContact OD2-NZ 3.09Å; D434-K663 PolarHBondContact OD2-NZ 3.33Å; D434-N681 PolarHBondContact OD2-ND2 2.98Å
435	E	98.6	Very high	98.4	Very high	117 Å²	117	46.1 Å²	46.1	55%	0.547	23%	0.229	S	C	.	.	S	Bend	trans	-71.4	151.9	175.9	-67.5	81	177.4	0	0	112.6	Y168 S430 R433	Y168-E435 PolarHBondContact OH-O 3.33Å; S430-E435 VanDerWaalsContact CB-O 3.31Å; S430-E435 WeakPolarHBondContact CB-O 3.38Å; S430-E435 PolarHBondContact N-O 2.85Å; S430-E435 PolarHBondContact OG-O 2.82Å; R433-E435 VanDerWaalsContact CB-OE2 3.24Å; R433-E435 WeakPolarHBondContact CB-OE2 3.48Å
436	R	98.6	Very high	98.2	Very high	86 Å²	86	46 Å²	46	33%	0.325	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	130.1	173.1	-171.8	-174.9	72.8	81.5	8.3	111.2	Y168 S427 D438	Y168-R436 HydrophobicContact CD1-CB 4.35Å; Y168-R436 HydrophobicContact CD1-CG 3.92Å; Y168-R436 HydrophobicContact CE1-CB 3.51Å; Y168-R436 HydrophobicContact CE1-CG 3.51Å; Y168-R436 HydrophobicContact CE2-CG 4.2Å; Y168-R436 HydrophobicContact CG-CG 4.38Å; Y168-R436 WeakPolarHBondContact OH-CA 3.47Å; Y168-R436 PolarHBondContact OH-N 2.9Å; S427-R436 WeakPolarHBondContact OG-CD 3.4Å; S427-R436 PolarHBondContact OG-NH1 3.2Å; R436-D438 IonicContact CZ-OD2 2.75Å; R436-D438 IonicContact NH1-OD2 3.7Å; R436-D438 PolarHBondContact NH1-OD2 2.95Å; R436-D438 IonicContact NH2-OD2 3.61Å; R436-D438 PolarHBondContact NH2-OD2 2.82Å
437	E	98.8	Very high	97.7	Very high	65 Å²	65	52.2 Å²	52.2	30%	0.304	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.4	165.6	-170.5	179	169.8	0	0	109.8	S427 T428 I439	S427-E437 WeakPolarHBondContact CA-O 3.38Å; T428-E437 HydrophobicContact CG2-CB 4.21Å; T428-E437 PolarHBondContact N-O 2.54Å; T428-E437 PolarHBondContact O-N 3.25Å; E437-I439 HydrophobicContact CG-CG2 3.94Å
438	D	98.8	Very high	97	Very high	46 Å²	46	55 Å²	55	25%	0.246	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	108.9	174.8	-162.6	-61.5	0	0	0	109.9	K425 I426 R436 T440 H441	K425-D438 WeakPolarHBondContact CD-OD2 3.27Å; I426-D438 CarbonylContact O-C 3.57Å; R436-D438 IonicContact CZ-OD2 2.75Å; R436-D438 IonicContact NH1-OD2 3.7Å; R436-D438 PolarHBondContact NH1-OD2 2.95Å; R436-D438 IonicContact NH2-OD2 3.61Å; R436-D438 PolarHBondContact NH2-OD2 2.82Å; D438-T440 VanDerWaalsContact OD1-CB 3.26Å; D438-T440 WeakPolarHBondContact OD1-CB 3.45Å; D438-T440 PolarHBondContact OD1-N 2.94Å; D438-T440 VanDerWaalsContact OD1-N 3.16Å; D438-T440 PolarHBondContact OD1-OG1 3.12Å; D438-H441 PolarHBondContact O-CE1 2.86Å; D438-H441 PolarHBondContact O-ND1 2.82Å
439	I	98.8	Very high	96.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.302	C	S	.	.			trans	-104.6	17.3	-177.8	63.5	169.7	0	0	0	112	V298 I426 T428 E437 H441 T442 Y443	V298-I439 HydrophobicContact CG1-CD1 3.97Å; V298-I439 HydrophobicContact CG2-CD1 3.77Å; I426-I439 HydrophobicContact CB-CG1 4.28Å; I426-I439 HydrophobicContact CG2-CD1 4.21Å; I426-I439 HydrophobicContact CG2-CG1 3.81Å; I426-I439 PolarHBondContact O-N 3.05Å; T428-I439 HydrophobicContact CG2-CD1 4.1Å; T428-I439 HydrophobicContact CG2-CG2 3.95Å; E437-I439 HydrophobicContact CG-CG2 3.94Å; I439-H441 PolarHBondContact O-N 3.02Å; I439-H441 VanDerWaalsContact O-N 3.15Å; I439-T442 HydrophobicContact CB-CG2 3.98Å; I439-T442 WeakPolarHBondContact O-CB 3.41Å; I439-T442 PolarHBondContact O-N 2.76Å; I439-T442 PolarHBondContact O-OG1 3.11Å; I439-Y443 HydrophobicContact CD1-CE2 4.35Å
440	T	98.6	Very high	96.4	Very high	30 Å²	30	58.7 Å²	58.7	18%	0.184	32%	0.323	C	S	.	.	H	α-helix	trans	-53.9	-39	178.5	-48.5	0	0	0	0	111.9	K425 I426 D438 T442 Y443 K444	K425-T440 WeakPolarHBondContact CA-OG1 3.48Å; K425-T440 PolarHBondContact N-OG1 3.42Å; I426-T440 HydrophobicContact CD1-CG2 4.42Å; I426-T440 HydrophobicContact CG1-CG2 4.32Å; I426-T440 PolarHBondContact N-OG1 2.84Å; I426-T440 PolarHBondContact O-N 2.93Å; D438-T440 VanDerWaalsContact OD1-CB 3.26Å; D438-T440 WeakPolarHBondContact OD1-CB 3.45Å; D438-T440 PolarHBondContact OD1-N 2.94Å; D438-T440 VanDerWaalsContact OD1-N 3.16Å; D438-T440 PolarHBondContact OD1-OG1 3.12Å; T440-T442 PolarHBondContact O-N 2.67Å; T440-T442 VanDerWaalsContact O-N 3.16Å; T440-Y443 PolarHBondContact O-N 3.26Å; T440-Y443 VanDerWaalsContact O-N 3.13Å; T440-K444 PolarHBondContact O-N 3.47Å
441	H	98.5	Very high	96.3	Very high	110 Å²	110	62.5 Å²	62.5	51%	0.509	34%	0.34	S	S	.	.	H	α-helix	trans	-65.9	-13.5	179	72.3	-83.6	0	0	0	114.2	K380 D438 I439 K444	K380-H441 WeakPolarHBondContact CE-O 3.49Å; K380-H441 PolarHBondContact NZ-O 3.32Å; D438-H441 PolarHBondContact O-CE1 2.86Å; D438-H441 PolarHBondContact O-ND1 2.82Å; I439-H441 PolarHBondContact O-N 3.02Å; I439-H441 VanDerWaalsContact O-N 3.15Å; H441-K444 CarbonylContact C-O 3.55Å; H441-K444 WeakPolarHBondContact CA-O 3.23Å
442	T	98.8	Very high	96.1	Very high	34 Å²	34	62.6 Å²	62.6	21%	0.209	34%	0.339	C	S	.	.	H	α-helix	trans	-82.8	-28.5	175.6	70.6	0	0	0	0	111.7	V376 K380 I439 T440	V376-T442 WeakPolarHBondContact CG1-O 3.24Å; K380-T442 WeakPolarHBondContact CB-O 3.49Å; K380-T442 WeakPolarHBondContact CD-O 3.34Å; I439-T442 HydrophobicContact CB-CG2 3.98Å; I439-T442 WeakPolarHBondContact O-CB 3.41Å; I439-T442 PolarHBondContact O-N 2.76Å; I439-T442 PolarHBondContact O-OG1 3.11Å; T440-T442 PolarHBondContact O-N 2.67Å; T440-T442 VanDerWaalsContact O-N 3.16Å
443	Y	98.6	Very high	95.7	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-94.1	-27	178.3	-79.6	-92.2	0	0	0	113.7	W337 E339 V376 I379 K380 V393 V397 I426 I439 T440	W337-Y443 AromaticContact CZ2-CE1 3.82Å; W337-Y443 HydrophobicContact CZ2-CE1 3.82Å; W337-Y443 HydrophobicContact CZ2-CE2 4.23Å; W337-Y443 AromaticContact CZ2-CZ 3.6Å; W337-Y443 WeakPolarHBondContact CZ2-OH 3.41Å; W337-Y443 AromaticContact NE1-CZ 3.84Å; W337-Y443 PolarHBondContact NE1-OH 3.45Å; E339-Y443 WeakPolarHBondContact OE1-CE2 3.35Å; E339-Y443 PolarHBondContact OE1-OH 3.43Å; V376-Y443 HydrophobicContact CG1-CD1 4.11Å; V376-Y443 HydrophobicContact CG1-CD2 3.93Å; V376-Y443 HydrophobicContact CG1-CE1 4.05Å; V376-Y443 HydrophobicContact CG1-CE2 3.87Å; V376-Y443 HydrophobicContact CG1-CG 4.04Å; V376-Y443 HydrophobicContact CG2-CE1 4.15Å; V376-Y443 HydrophobicContact CG2-CE2 4.33Å; I379-Y443 HydrophobicContact CB-CD1 4.35Å; I379-Y443 HydrophobicContact CG2-CD1 3.9Å; K380-Y443 VanDerWaalsContact CA-O 3.22Å; K380-Y443 WeakPolarHBondContact CA-O 3.21Å; V393-Y443 HydrophobicContact CG1-CE1 4.37Å; V397-Y443 HydrophobicContact CG1-CD1 4.13Å; V397-Y443 HydrophobicContact CG2-CD1 4.42Å; I426-Y443 HydrophobicContact CD1-CD2 3.77Å; I426-Y443 HydrophobicContact CD1-CG 3.76Å; I426-Y443 HydrophobicContact CG2-CD2 4.03Å; I426-Y443 HydrophobicContact CG2-CE2 4.01Å; I439-Y443 HydrophobicContact CD1-CE2 4.35Å; T440-Y443 PolarHBondContact O-N 3.26Å; T440-Y443 VanDerWaalsContact O-N 3.13Å
444	K	96.8	Very high	95.5	Very high	25 Å²	25	64 Å²	64	11%	0.109	33%	0.329	C	S	.	.			trans	-141	144	-170.5	-63.1	168.8	64.3	169.8	0	111.2	V397 N398 V422 G423 T440 H441	V397-K444 HydrophobicContact CB-CD 4.14Å; V397-K444 HydrophobicContact CG2-CD 4.44Å; V397-K444 HydrophobicContact CG2-CG 4.39Å; V397-K444 WeakPolarHBondContact O-CD 3.21Å; V397-K444 WeakPolarHBondContact O-CE 3.45Å; V397-K444 PolarHBondContact O-NZ 3.13Å; N398-K444 WeakPolarHBondContact OD1-CD 3.33Å; N398-K444 WeakPolarHBondContact OD1-CE 3.27Å; N398-K444 WeakPolarHBondContact OD1-CG 3.35Å; V422-K444 PolarHBondContact O-NZ 3.11Å; G423-K444 PolarHBondContact O-NZ 2.8Å; G423-K444 VanDerWaalsContact O-NZ 3.13Å; T440-K444 PolarHBondContact O-N 3.47Å; H441-K444 CarbonylContact C-O 3.55Å; H441-K444 WeakPolarHBondContact CA-O 3.23Å
445	Y	97.2	Very high	95.3	Very high	52 Å²	52	62 Å²	62	20%	0.204	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-73.4	159.7	164.9	-74.8	-73.8	0	0	0	110.8	K380 E381 E447 E451 A455	K380-Y445 HydrophobicContact CD-CE1 4.5Å; K380-Y445 HydrophobicContact CD-CE2 4.27Å; K380-Y445 VanDerWaalsContact CE-CE1 3.48Å; K380-Y445 HydrophobicContact CG-CD2 4.01Å; K380-Y445 HydrophobicContact CG-CE2 3.79Å; K380-Y445 WeakPolarHBondContact O-CD2 3.35Å; K380-Y445 WeakPolarHBondContact O-CE2 3.23Å; E381-Y445 PolarHBondContact OE1-OH 3.33Å; Y445-E447 PolarHBondContact O-N 3.35Å; Y445-E451 HydrophobicContact CD1-CB 3.45Å; Y445-E451 VanDerWaalsContact CD1-CB 3.45Å; Y445-E451 HydrophobicContact CD1-CG 4.11Å; Y445-E451 HydrophobicContact CD2-CB 3.85Å; Y445-E451 HydrophobicContact CE1-CB 3.67Å; Y445-E451 HydrophobicContact CE1-CG 4.04Å; Y445-E451 HydrophobicContact CE2-CB 4.05Å; Y445-E451 HydrophobicContact CG-CB 3.55Å; Y445-A455 HydrophobicContact CD2-CB 4.37Å
446	P	93.6	Very high	95	Very high	92 Å²	92	56.7 Å²	56.7	60%	0.597	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-57.8	137.3	175.2	-23.7	34.8	0	0	0	112	G448 S449	P446-G448 PolarHBondContact O-N 2.72Å; P446-S449 VanDerWaalsContact O-CB 3.3Å; P446-S449 WeakPolarHBondContact O-CB 3.04Å; P446-S449 PolarHBondContact O-N 3.49Å; P446-S449 VanDerWaalsContact O-N 3.13Å; P446-S449 PolarHBondContact O-OG 3.19Å
447	E	87.3	Confident	94.6	Very high	132 Å²	132	56.2 Å²	56.2	62%	0.617	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	131.4	-179.8	-171.6	179	177	0	0	111.3	Y445 E452 K468	Y445-E447 PolarHBondContact O-N 3.35Å; E447-E452 WeakPolarHBondContact CA-OE2 3.23Å; E447-K468 IonicContact OE1-NZ 3.26Å; E447-K468 PolarHBondContact OE1-NZ 2.7Å
448	G	84.9	Confident	94.4	Very high	58 Å²	58	59.5 Å²	59.5	60%	0.598	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-0.1	-178.5	0	0	0	0	0	115.2	P446 E452	P446-G448 PolarHBondContact O-N 2.72Å; G448-E452 PolarHBondContact N-OE2 2.97Å
449	S	91.8	Very high	93.9	Very high	23 Å²	23	57.7 Å²	57.7	16%	0.161	30%	0.302	C	S	.	.			trans	-75.3	161.6	179.3	97.1	0	0	0	0	112.8	P446 E451 E452 R453	P446-S449 VanDerWaalsContact O-CB 3.3Å; P446-S449 WeakPolarHBondContact O-CB 3.04Å; P446-S449 PolarHBondContact O-N 3.49Å; P446-S449 VanDerWaalsContact O-N 3.13Å; P446-S449 PolarHBondContact O-OG 3.19Å; S449-E451 VanDerWaalsContact C-N 3.31Å; S449-E451 WeakPolarHBondContact CB-OE2 3.33Å; S449-E451 PolarHBondContact OG-N 2.85Å; S449-E451 PolarHBondContact OG-OE2 2.69Å; S449-E452 PolarHBondContact O-N 3.35Å; S449-E452 PolarHBondContact OG-N 3.04Å; S449-E452 VanDerWaalsContact OG-N 3.16Å; S449-R453 PolarHBondContact O-N 2.95Å
450	S	93.4	Very high	93.4	Very high	72 Å²	72	64 Å²	64	50%	0.503	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-40.6	174	36.3	0	0	0	0	111.8	R453 E454	S450-R453 WeakPolarHBondContact O-CB 3.44Å; S450-R453 PolarHBondContact O-N 3.49Å; S450-E454 WeakPolarHBondContact O-CG 3.38Å; S450-E454 PolarHBondContact O-N 3.15Å
451	E	96.1	Very high	92.5	Very high	85 Å²	85	62.7 Å²	62.7	40%	0.397	33%	0.328	S	S	.	.	H	α-helix	trans	-65.8	-39.8	-179.9	-55.4	82.7	175.2	0	0	111.6	Y445 S449 R453 E454 A455	Y445-E451 HydrophobicContact CD1-CB 3.45Å; Y445-E451 VanDerWaalsContact CD1-CB 3.45Å; Y445-E451 HydrophobicContact CD1-CG 4.11Å; Y445-E451 HydrophobicContact CD2-CB 3.85Å; Y445-E451 HydrophobicContact CE1-CB 3.67Å; Y445-E451 HydrophobicContact CE1-CG 4.04Å; Y445-E451 HydrophobicContact CE2-CB 4.05Å; Y445-E451 HydrophobicContact CG-CB 3.55Å; S449-E451 VanDerWaalsContact C-N 3.31Å; S449-E451 WeakPolarHBondContact CB-OE2 3.33Å; S449-E451 PolarHBondContact OG-N 2.85Å; S449-E451 PolarHBondContact OG-OE2 2.69Å; E451-R453 VanDerWaalsContact C-N 3.33Å; E451-R453 PolarHBondContact O-N 2.74Å; E451-E454 PolarHBondContact O-N 2.94Å; E451-A455 WeakPolarHBondContact O-CB 3.45Å; E451-A455 PolarHBondContact O-N 2.89Å
452	E	93.6	Very high	91.1	Very high	24 Å²	24	63.4 Å²	63.4	11%	0.112	33%	0.334	C	S	.	.	H	α-helix	trans	-60	-46.2	173.2	-172.4	-163.8	-142.8	0	0	110.8	E447 G448 S449 E454 A455 F456	E447-E452 WeakPolarHBondContact CA-OE2 3.23Å; G448-E452 PolarHBondContact N-OE2 2.97Å; S449-E452 PolarHBondContact O-N 3.35Å; S449-E452 PolarHBondContact OG-N 3.04Å; S449-E452 VanDerWaalsContact OG-N 3.16Å; E452-E454 VanDerWaalsContact C-N 3.34Å; E452-E454 PolarHBondContact O-N 3.09Å; E452-A455 PolarHBondContact O-N 3.23Å; E452-F456 HydrophobicContact CG-CD2 3.89Å; E452-F456 HydrophobicContact CG-CE1 4.46Å; E452-F456 HydrophobicContact CG-CE2 3.27Å; E452-F456 HydrophobicContact CG-CZ 3.58Å; E452-F456 WeakPolarHBondContact O-CG 3.35Å; E452-F456 PolarHBondContact O-N 2.88Å; E452-F456 WeakPolarHBondContact OE1-CE2 3.46Å; E452-F456 WeakPolarHBondContact OE1-CZ 3.33Å
453	R	89.6	Confident	89.7	Confident	126 Å²	126	65.5 Å²	65.5	48%	0.475	34%	0.344	S	S	.	.	H	α-helix	trans	-62.6	-41.2	179.3	-168.2	176.8	-64.3	-79.1	-4	112.2	S449 S450 E451 T457 L465	S449-R453 PolarHBondContact O-N 2.95Å; S450-R453 WeakPolarHBondContact O-CB 3.44Å; S450-R453 PolarHBondContact O-N 3.49Å; E451-R453 VanDerWaalsContact C-N 3.33Å; E451-R453 PolarHBondContact O-N 2.74Å; R453-T457 WeakPolarHBondContact O-CB 3.48Å; R453-T457 PolarHBondContact O-N 2.94Å; R453-T457 PolarHBondContact O-OG1 2.83Å; R453-L465 HydrophobicContact CG-CD2 3.48Å; R453-L465 VanDerWaalsContact CG-CD2 3.48Å
454	E	94.1	Very high	88	Confident	120 Å²	120	68 Å²	68	56%	0.561	36%	0.355	S	S	*	.	H	α-helix	trans	-64.6	-43.7	175.5	-74.2	177.1	-165.2	0	0	111.6	S450 E451 E452 T457 R458	S450-E454 WeakPolarHBondContact O-CG 3.38Å; S450-E454 PolarHBondContact O-N 3.15Å; E451-E454 PolarHBondContact O-N 2.94Å; E452-E454 VanDerWaalsContact C-N 3.34Å; E452-E454 PolarHBondContact O-N 3.09Å; E454-T457 WeakPolarHBondContact O-CB 3.33Å; E454-T457 PolarHBondContact O-N 2.81Å; E454-R458 PolarHBondContact O-N 3.11Å
455	A	94.2	Very high	86.3	Confident	4 Å²	4	69.2 Å²	69.2	3%	0.033	36%	0.363	C	S	.	.	H	α-helix	trans	-61.7	-44.5	176.2	0	0	0	0	0	112	K380 E381 Y445 E451 E452 T457 R458 A459	K380-A455 WeakPolarHBondContact O-CB 3.44Å; E381-A455 WeakPolarHBondContact O-CA 3.37Å; Y445-A455 HydrophobicContact CD2-CB 4.37Å; E451-A455 WeakPolarHBondContact O-CB 3.45Å; E451-A455 PolarHBondContact O-N 2.89Å; E452-A455 PolarHBondContact O-N 3.23Å; A455-T457 VanDerWaalsContact C-N 3.34Å; A455-T457 PolarHBondContact O-N 3.02Å; A455-R458 WeakPolarHBondContact O-CB 3.41Å; A455-R458 PolarHBondContact O-N 2.9Å; A455-A459 WeakPolarHBondContact O-CB 3.32Å; A455-A459 PolarHBondContact O-N 3.06Å
456	F	92.2	Very high	84.6	Confident	6 Å²	6	70 Å²	70	3%	0.026	38%	0.38	C	S	.	.	H	α-helix	trans	-65.4	-36.1	174.7	-68	-25.7	0	0	0	113.1	F394 N398 E452 R458 A459 N460 H461 K464 L465	F394-F456 HydrophobicContact CE1-CD1 4.43Å; F394-F456 AromaticContact CZ-CD1 3.86Å; F394-F456 HydrophobicContact CZ-CD1 3.86Å; F394-F456 HydrophobicContact CZ-CE1 4Å; N398-F456 HydrophobicContact CB-CE1 4Å; E452-F456 HydrophobicContact CG-CD2 3.89Å; E452-F456 HydrophobicContact CG-CE1 4.46Å; E452-F456 HydrophobicContact CG-CE2 3.27Å; E452-F456 HydrophobicContact CG-CZ 3.58Å; E452-F456 WeakPolarHBondContact O-CG 3.35Å; E452-F456 PolarHBondContact O-N 2.88Å; E452-F456 WeakPolarHBondContact OE1-CE2 3.46Å; E452-F456 WeakPolarHBondContact OE1-CZ 3.33Å; F456-R458 VanDerWaalsContact C-N 3.34Å; F456-A459 CarbonylContact O-C 3.38Å; F456-A459 PolarHBondContact O-N 2.81Å; F456-N460 PolarHBondContact O-N 2.78Å; F456-N460 VanDerWaalsContact O-N 3.08Å; F456-H461 HydrophobicContact CB-CB 4.09Å; F456-H461 HydrophobicContact CD1-CB 4.35Å; F456-H461 HydrophobicContact CG-CB 4.4Å; F456-H461 PolarHBondContact O-N 2.87Å; F456-K464 HydrophobicContact CD2-CB 3.68Å; F456-K464 HydrophobicContact CD2-CD 3.75Å; F456-K464 HydrophobicContact CD2-CG 4.32Å; F456-K464 HydrophobicContact CE1-CD 4.07Å; F456-K464 HydrophobicContact CE2-CB 3.93Å; F456-K464 HydrophobicContact CE2-CD 3.14Å; F456-K464 HydrophobicContact CE2-CG 4.13Å; F456-K464 HydrophobicContact CG-CB 4.38Å; F456-K464 HydrophobicContact CG-CD 4.43Å; F456-K464 HydrophobicContact CZ-CD 3.37Å; F456-L465 HydrophobicContact CB-CD2 4.46Å
457	T	91.3	Very high	83	Confident	77 Å²	77	75 Å²	75	47%	0.472	40%	0.395	S	S	.	.	H	α-helix	trans	-62.4	-43.7	173.4	-56.5	0	0	0	0	110.6	R453 E454 A455 A459 N460	R453-T457 WeakPolarHBondContact O-CB 3.48Å; R453-T457 PolarHBondContact O-N 2.94Å; R453-T457 PolarHBondContact O-OG1 2.83Å; E454-T457 WeakPolarHBondContact O-CB 3.33Å; E454-T457 PolarHBondContact O-N 2.81Å; A455-T457 VanDerWaalsContact C-N 3.34Å; A455-T457 PolarHBondContact O-N 3.02Å; T457-A459 VanDerWaalsContact C-N 3.3Å; T457-A459 PolarHBondContact O-N 2.96Å; T457-N460 PolarHBondContact O-N 3.28Å; T457-N460 VanDerWaalsContact O-N 3.1Å
458	R	93.7	Very high	81.8	Confident	133 Å²	133	76.4 Å²	76.4	50%	0.502	40%	0.399	S	S	.	.	H	α-helix	trans	-62	-38.4	176.4	-162.9	-172.1	-48.3	-83.2	-4.3	112.3	E381 G382 E454 A455 F456 N460	E381-R458 VanDerWaalsContact O-CD 3.24Å; E381-R458 WeakPolarHBondContact O-CD 3.31Å; E381-R458 PolarHBondContact O-NE 3.43Å; G382-R458 CarbonylContact O-C 3.5Å; E454-R458 PolarHBondContact O-N 3.11Å; A455-R458 WeakPolarHBondContact O-CB 3.41Å; A455-R458 PolarHBondContact O-N 2.9Å; F456-R458 VanDerWaalsContact C-N 3.34Å; R458-N460 VanDerWaalsContact C-N 3.25Å; R458-N460 PolarHBondContact O-N 2.99Å
459	A	89.5	Confident	80.8	Confident	9 Å²	9	80.9 Å²	80.9	7%	0.074	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-2.6	176.4	0	0	0	0	0	114.1	G382 L384 F394 A455 F456 T457 H461	G382-A459 PolarHBondContact O-N 3Å; L384-A459 HydrophobicContact CD1-CB 3.78Å; L384-A459 HydrophobicContact CG-CB 4.02Å; F394-A459 HydrophobicContact CD1-CB 4.48Å; F394-A459 HydrophobicContact CE1-CB 3.74Å; F394-A459 HydrophobicContact CE2-CB 4.37Å; F394-A459 HydrophobicContact CZ-CB 3.67Å; A455-A459 WeakPolarHBondContact O-CB 3.32Å; A455-A459 PolarHBondContact O-N 3.06Å; F456-A459 CarbonylContact O-C 3.38Å; F456-A459 PolarHBondContact O-N 2.81Å; T457-A459 VanDerWaalsContact C-N 3.3Å; T457-A459 PolarHBondContact O-N 2.96Å; A459-H461 PolarHBondContact O-N 2.86Å
460	N	86.8	Confident	79.4	Confident	132 Å²	132	88.7 Å²	88.7	71%	0.706	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	31.8	-170.4	-60.4	-58.4	0	0	0	114.2	F456 T457 R458 L462	F456-N460 PolarHBondContact O-N 2.78Å; F456-N460 VanDerWaalsContact O-N 3.08Å; T457-N460 PolarHBondContact O-N 3.28Å; T457-N460 VanDerWaalsContact O-N 3.1Å; R458-N460 VanDerWaalsContact C-N 3.25Å; R458-N460 PolarHBondContact O-N 2.99Å; N460-L462 PolarHBondContact O-N 3.48Å; N460-L462 VanDerWaalsContact O-N 3.1Å
461	H	80.3	Confident	78.3	Confident	3 Å²	3	87.2 Å²	87.2	1%	0.014	43%	0.427	C	S	.	.			trans	-85.5	76.1	179.3	-165.2	-1.9	0	0	0	111.5	L311 N398 D400 F456 A459 N463	L311-H461 HydrophobicContact CD1-CB 3.7Å; L311-H461 PolarHBondContact O-CE1 3.03Å; L311-H461 PolarHBondContact O-NE2 3.19Å; N398-H461 PolarHBondContact O-NE2 2.88Å; D400-H461 IonicContact OD2-CE1 3.49Å; D400-H461 PolarHBondContact OD2-CE1 2.76Å; D400-H461 VanDerWaalsContact OD2-CE1 3.26Å; D400-H461 IonicContact OD2-NE2 2.86Å; F456-H461 HydrophobicContact CB-CB 4.09Å; F456-H461 HydrophobicContact CD1-CB 4.35Å; F456-H461 HydrophobicContact CG-CB 4.4Å; F456-H461 PolarHBondContact O-N 2.87Å; A459-H461 PolarHBondContact O-N 2.86Å; H461-N463 VanDerWaalsContact C-N 3.31Å; H461-N463 PolarHBondContact O-N 3.46Å
462	L	70.4	Confident	77.7	Confident	124 Å²	124	85.1 Å²	85.1	65%	0.649	43%	0.427	S	S	*	.			trans	-70.3	-22.6	-170.7	-61	177.7	0	0	0	114.2	N460 L465	N460-L462 PolarHBondContact O-N 3.48Å; N460-L462 VanDerWaalsContact O-N 3.1Å; L462-L465 HydrophobicContact CD2-CD1 4.07Å; L462-L465 WeakPolarHBondContact O-CB 3.47Å; L462-L465 PolarHBondContact O-N 3.47Å
463	N	67.6	Low	77.6	Confident	79 Å²	79	84.3 Å²	84.3	42%	0.422	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-69.5	-40.7	-176.5	-70.7	-34.7	0	0	0	112.7	D400 H461 L465 A466	D400-N463 WeakPolarHBondContact OD2-CB 3.15Å; H461-N463 VanDerWaalsContact C-N 3.31Å; H461-N463 PolarHBondContact O-N 3.46Å; N463-L465 PolarHBondContact O-N 2.9Å; N463-A466 WeakPolarHBondContact O-CB 3.21Å; N463-A466 PolarHBondContact O-N 3.09Å
464	K	64.6	Low	77.8	Confident	53 Å²	53	79.9 Å²	79.9	23%	0.23	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-66.6	-14.5	174.7	-76.7	-158.2	172.2	176.3	0	114.5	N398 D400 F456 A466	N398-K464 VanDerWaalsContact O-CE 3.27Å; N398-K464 WeakPolarHBondContact O-CE 3.44Å; N398-K464 PolarHBondContact O-NZ 2.84Å; D400-K464 WeakPolarHBondContact OD1-CE 3.46Å; D400-K464 WeakPolarHBondContact OD1-CG 3.38Å; D400-K464 WeakPolarHBondContact OD2-CG 3.39Å; D400-K464 PolarHBondContact OD2-N 3.16Å; F456-K464 HydrophobicContact CD2-CB 3.68Å; F456-K464 HydrophobicContact CD2-CD 3.75Å; F456-K464 HydrophobicContact CD2-CG 4.32Å; F456-K464 HydrophobicContact CE1-CD 4.07Å; F456-K464 HydrophobicContact CE2-CB 3.93Å; F456-K464 HydrophobicContact CE2-CD 3.14Å; F456-K464 HydrophobicContact CE2-CG 4.13Å; F456-K464 HydrophobicContact CG-CB 4.38Å; F456-K464 HydrophobicContact CG-CD 4.43Å; F456-K464 HydrophobicContact CZ-CD 3.37Å; K464-A466 VanDerWaalsContact C-N 3.34Å
465	L	60.2	Low	77.8	Confident	50 Å²	50	75 Å²	75	26%	0.262	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-83.5	-13.1	178.7	-58.5	175.8	0	0	0	112.5	R453 F456 L462 N463	R453-L465 HydrophobicContact CG-CD2 3.48Å; R453-L465 VanDerWaalsContact CG-CD2 3.48Å; F456-L465 HydrophobicContact CB-CD2 4.46Å; L462-L465 HydrophobicContact CD2-CD1 4.07Å; L462-L465 WeakPolarHBondContact O-CB 3.47Å; L462-L465 PolarHBondContact O-N 3.47Å; N463-L465 PolarHBondContact O-N 2.9Å
466	A	62.3	Low	77.9	Confident	68 Å²	68	80 Å²	80	56%	0.562	41%	0.409	S	S	*	.	S	Bend	trans	-76.1	147.1	178.3	0	0	0	0	0	112.5	N463 K464	N463-A466 WeakPolarHBondContact O-CB 3.21Å; N463-A466 PolarHBondContact O-N 3.09Å; K464-A466 VanDerWaalsContact C-N 3.34Å
467	E	58.1	Low	78.1	Confident	196 Å²	196	80.2 Å²	80.2	92%	0.916	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-66.4	135.3	176.2	-70.8	-176.7	169.1	0	0	111.1
468	K	63.5	Low	78.3	Confident	162 Å²	162	82.4 Å²	82.4	70%	0.704	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-78.6	129	175.7	-69.4	179	-177.5	174	0	109	E447 E470	E447-K468 IonicContact OE1-NZ 3.26Å; E447-K468 PolarHBondContact OE1-NZ 2.7Å; K468-E470 PolarHBondContact O-N 2.91Å
469	E	63	Low	78.3	Confident	152 Å²	152	78.1 Å²	78.1	71%	0.71	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-65.1	120.1	172.4	-72.9	179.7	166	0	0	110.5
470	E	62	Low	78	Confident	188 Å²	188	79.1 Å²	79.1	88%	0.879	41%	0.41	S	S	*	.			trans	-87.4	113.1	171.8	-75.5	-165	157.5	0	0	110.5	K468	K468-E470 PolarHBondContact O-N 2.91Å
471	T	70.2	Confident	77.5	Confident	41 Å²	41	82.3 Å²	82.3	25%	0.252	42%	0.421	S	S	.	.			trans	-98	142.8	163.5	55.3	0	0	0	0	110.4	I416 R418 M473	I416-T471 HydrophobicContact CD1-CG2 3.24Å; I416-T471 WeakPolarHBondContact CD1-OG1 3.15Å; R418-T471 PolarHBondContact NH2-O 3.44Å; R418-T471 PolarHBondContact NH2-OG1 2.85Å; T471-M473 PolarHBondContact O-N 2.61Å; T471-M473 VanDerWaalsContact O-N 3.17Å; T471-M473 PolarHBondContact OG1-O 2.63Å
472	G	84.6	Confident	77	Confident	40 Å²	40	86 Å²	86	41%	0.412	45%	0.447	S	S	.	.	S	Bend	trans	-72.7	2.9	177.5	0	0	0	0	0	115.2	N498	G472-N498 PolarHBondContact O-N 2.88Å
473	M	90.8	Very high	77.9	Confident	8 Å²	8	81.4 Å²	81.4	4%	0.039	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	147.6	172.4	-73.9	-167.4	-74.3	0	0	111.3	R418 T471 T496 Y503 L534 E569 L576	R418-M473 PolarHBondContact NH1-O 3.13Å; R418-M473 VanDerWaalsContact NH1-O 3.11Å; T471-M473 PolarHBondContact O-N 2.61Å; T471-M473 VanDerWaalsContact O-N 3.17Å; T471-M473 PolarHBondContact OG1-O 2.63Å; M473-T496 WeakPolarHBondContact CA-O 3.42Å; M473-Y503 HydrophobicContact CE-CD1 4.48Å; M473-Y503 HydrophobicContact CE-CD2 4.1Å; M473-Y503 HydrophobicContact CE-CE1 4.4Å; M473-Y503 HydrophobicContact CE-CE2 3.97Å; M473-Y503 HydrophobicContact CE-CG 4.33Å; M473-Y503 HydrophobicContact CG-CD2 4.39Å; M473-Y503 HydrophobicContact CG-CE2 4.03Å; M473-Y503 HydrophobicContact SD-CD2 3.54Å; M473-Y503 VanDerWaalsContact SD-CD2 3.54Å; M473-Y503 HydrophobicContact SD-CE2 3.69Å; M473-Y503 HydrophobicContact SD-CG 4.17Å; M473-L534 HydrophobicContact SD-CD1 4.11Å; M473-E569 HydrophobicContact CE-CB 4.02Å; M473-E569 HydrophobicContact CE-CG 3.91Å; M473-L576 HydrophobicContact CB-CD1 3.57Å
474	A	93.8	Very high	79.1	Confident	32 Å²	32	80.8 Å²	80.8	26%	0.264	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	150.5	175.7	0	0	0	0	0	111.4	I495 T496	A474-I495 CarbonylContact O-C 3.57Å; A474-I495 WeakPolarHBondContact O-CA 3.47Å; A474-T496 PolarHBondContact N-O 2.91Å; A474-T496 PolarHBondContact O-N 2.89Å
475	M	95.5	Very high	80.5	Confident	18 Å²	18	78.9 Å²	78.9	9%	0.089	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.9	175.9	-175.3	171.3	58.6	0	0	110.8	A493 H494 I495 L507 A565 L567 L576 A578	M475-A493 HydrophobicContact SD-CB 4.44Å; M475-H494 WeakPolarHBondContact CA-O 3.46Å; M475-I495 HydrophobicContact CB-CG1 4.38Å; M475-I495 HydrophobicContact CG-CG1 3.9Å; M475-I495 HydrophobicContact SD-CD1 4.43Å; M475-I495 HydrophobicContact SD-CG1 3.93Å; M475-L507 HydrophobicContact SD-CD1 3.75Å; M475-A565 HydrophobicContact CE-CB 3.58Å; M475-A565 WeakPolarHBondContact CE-O 3.45Å; M475-A565 HydrophobicContact SD-CB 3.67Å; M475-L567 HydrophobicContact CE-CB 3.82Å; M475-L567 HydrophobicContact SD-CB 3.93Å; M475-L576 WeakPolarHBondContact CE-O 3.15Å; M475-A578 HydrophobicContact CB-CB 4.35Å; M475-A578 HydrophobicContact CE-CB 3.91Å; M475-A578 HydrophobicContact CG-CB 4Å
476	R	95.8	Very high	82.1	Confident	109 Å²	109	76.9 Å²	76.9	41%	0.411	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	152.7	174.8	64.6	-175.2	-179.3	-82.7	0.1	111.7	H494	R476-H494 HydrophobicContact CG-CB 4.28Å; R476-H494 PolarHBondContact N-O 2.9Å; R476-H494 PolarHBondContact NH1-CD2 3.46Å; R476-H494 PolarHBondContact NH2-CD2 3.02Å; R476-H494 PolarHBondContact NH2-NE2 3.33Å; R476-H494 PolarHBondContact O-N 3.15Å
477	I	97.1	Very high	83.6	Confident	11 Å²	11	75.6 Å²	75.6	6%	0.056	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.6	174	-52	-58.6	0	0	0	110.6	F492 A493 V563 A565 A578 R580	I477-F492 WeakPolarHBondContact CA-O 3.46Å; I477-A493 HydrophobicContact CD1-CB 4.3Å; I477-V563 HydrophobicContact CD1-CG1 4.09Å; I477-V563 HydrophobicContact CG1-CG1 4.35Å; I477-V563 HydrophobicContact CG2-CB 4.22Å; I477-V563 HydrophobicContact CG2-CG1 4.02Å; I477-A565 HydrophobicContact CD1-CB 3.65Å; I477-A578 HydrophobicContact CD1-CB 4.34Å; I477-A578 HydrophobicContact CG1-CB 4.3Å; I477-R580 HydrophobicContact CB-CB 3.66Å; I477-R580 HydrophobicContact CB-CG 4.48Å; I477-R580 HydrophobicContact CG1-CB 4.01Å; I477-R580 HydrophobicContact CG2-CB 4.01Å; I477-R580 WeakPolarHBondContact O-CD 3.41Å; I477-R580 PolarHBondContact O-NH1 3.43Å
478	R	95.1	Very high	85.4	Confident	123 Å²	123	70.8 Å²	70.8	46%	0.464	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	155.2	171.9	-64.1	-178.6	67.3	-178.9	-1.9	109.9	F492 H494	R478-F492 HydrophobicContact CB-CB 4.34Å; R478-F492 PolarHBondContact N-O 3.15Å; R478-F492 PolarHBondContact O-N 3.08Å; R478-H494 HydrophobicContact CG-CB 3.96Å
479	V	92.9	Very high	86.9	Confident	42 Å²	42	63.7 Å²	63.7	26%	0.255	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	148.1	-179.5	-62.4	0	0	0	0	109.1	M483 V491 L582	V479-M483 HydrophobicContact CB-CE 3.96Å; V479-M483 HydrophobicContact CB-SD 3.82Å; V479-M483 HydrophobicContact CG1-CE 3.87Å; V479-M483 HydrophobicContact CG1-SD 3.81Å; V479-M483 HydrophobicContact CG2-CE 4.19Å; V479-V491 HydrophobicContact CG1-CG1 4.09Å; V479-L582 HydrophobicContact CG1-CD2 3.45Å; V479-L582 VanDerWaalsContact CG1-CD2 3.45Å
480	G	82.3	Confident	88.4	Confident	31 Å²	31	59.9 Å²	59.9	32%	0.32	32%	0.324	S	S	.	.			trans	-67.2	-175.5	168.9	0	0	0	0	0	113	D490	G480-D490 PolarHBondContact N-O 2.89Å; G480-D490 VanDerWaalsContact N-O 3.15Å
481	Q	77.6	Confident	90.1	Very high	199 Å²	199	51 Å²	51	93%	0.93	28%	0.282	S	S	*	.	S	Bend	trans	-80.3	133.6	172.7	-66	-174.2	2.2	0	0	110.2
482	S	69.3	Low	91.4	Very high	79 Å²	79	51.9 Å²	51.9	55%	0.552	28%	0.283	S	S	*	.			trans	58.8	116.3	178.5	-136.8	0	0	0	0	115	N484	S482-N484 PolarHBondContact OG-OD1 2.95Å
483	M	88.8	Confident	92	Very high	28 Å²	28	50 Å²	50	14%	0.138	26%	0.264	C	S	.	.			trans	-122.3	79.9	172.4	-64.6	178.5	-58.7	0	0	107.3	V479 F489 V491 L582 L584 E585	V479-M483 HydrophobicContact CB-CE 3.96Å; V479-M483 HydrophobicContact CB-SD 3.82Å; V479-M483 HydrophobicContact CG1-CE 3.87Å; V479-M483 HydrophobicContact CG1-SD 3.81Å; V479-M483 HydrophobicContact CG2-CE 4.19Å; M483-F489 HydrophobicContact CB-CD1 4.45Å; M483-F489 HydrophobicContact CB-CD2 4.31Å; M483-F489 HydrophobicContact CB-CG 4.25Å; M483-F489 HydrophobicContact CG-CB 4.19Å; M483-F489 HydrophobicContact CG-CD2 3.61Å; M483-F489 HydrophobicContact CG-CE2 4.1Å; M483-F489 HydrophobicContact CG-CG 3.85Å; M483-F489 HydrophobicContact SD-CD2 3.71Å; M483-F489 HydrophobicContact SD-CE2 3.76Å; M483-V491 HydrophobicContact SD-CG1 4.31Å; M483-L582 HydrophobicContact CE-CB 4.34Å; M483-L582 HydrophobicContact CE-CD2 4.26Å; M483-L582 HydrophobicContact SD-CD1 4.04Å; M483-L582 HydrophobicContact SD-CD2 4.36Å; M483-L584 HydrophobicContact CB-CD2 4.08Å; M483-L584 CarbonylContact O-C 3.58Å; M483-L584 WeakPolarHBondContact O-CA 3.47Å; M483-E585 PolarHBondContact O-N 3.18Å
484	N	92.9	Very high	92.3	Very high	67 Å²	67	49.8 Å²	49.8	36%	0.358	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-86.7	141.4	-176	-60.9	-2.1	0	0	0	109.4	S482 G486 S487	S482-N484 PolarHBondContact OG-OD1 2.95Å; N484-G486 PolarHBondContact O-N 2.95Å; N484-S487 PolarHBondContact O-N 3.16Å; N484-S487 PolarHBondContact O-OG 2.82Å
485	M	93.8	Very high	92.5	Very high	13 Å²	13	48.3 Å²	48.3	6%	0.064	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	125	171.1	173.6	51.6	177.2	0	0	109.5	Y551 L555 L584 E585 L673	M485-Y551 HydrophobicContact SD-CE2 3.92Å; M485-L555 HydrophobicContact CE-CD2 3.6Å; M485-L555 HydrophobicContact SD-CD2 3.33Å; M485-L555 WeakPolarHBondContact SD-CD2 3.26Å; M485-L584 HydrophobicContact CB-CB 4.11Å; M485-L584 HydrophobicContact SD-CD1 4.31Å; M485-E585 PolarHBondContact N-O 3.01Å; M485-L673 HydrophobicContact CG-CD1 4.08Å
486	G	94.1	Very high	92.6	Very high	8 Å²	8	48.8 Å²	48.8	8%	0.082	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.1	-1.7	-177	0	0	0	0	0	115.7	N484 Y551	N484-G486 PolarHBondContact O-N 2.95Å; G486-Y551 PolarHBondContact N-OH 3.16Å
487	S	94.2	Very high	92.5	Very high	40 Å²	40	43.7 Å²	43.7	28%	0.28	24%	0.235	S	C	.	.	S	Bend	trans	-119.1	157.7	-178.4	65.6	0	0	0	0	113.1	N484 Y551	N484-S487 PolarHBondContact O-N 3.16Å; N484-S487 PolarHBondContact O-OG 2.82Å; S487-Y551 PolarHBondContact N-OH 2.79Å; S487-Y551 PolarHBondContact O-OH 3.01Å
488	D	95.6	Very high	92.4	Very high	95 Å²	95	48.6 Å²	48.6	51%	0.508	26%	0.261	S	S	.	.			trans	-81.7	143.4	167.8	-59.8	-18.2	0	0	0	109.7	I546 L547 Y548	D488-I546 WeakPolarHBondContact CA-O 3.36Å; D488-L547 HydrophobicContact CB-CD2 4.12Å; D488-L547 VanDerWaalsContact OD1-CA 3.26Å; D488-L547 WeakPolarHBondContact OD1-CA 3.43Å; D488-Y548 PolarHBondContact OD1-N 3.06Å
489	F	95.8	Very high	92.3	Very high	14 Å²	14	44 Å²	44	6%	0.061	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	159.2	179.7	61.8	-87.4	0	0	0	112.6	M483 V491 I546 Y551 I561 L582 L584	M483-F489 HydrophobicContact CB-CD1 4.45Å; M483-F489 HydrophobicContact CB-CD2 4.31Å; M483-F489 HydrophobicContact CB-CG 4.25Å; M483-F489 HydrophobicContact CG-CB 4.19Å; M483-F489 HydrophobicContact CG-CD2 3.61Å; M483-F489 HydrophobicContact CG-CE2 4.1Å; M483-F489 HydrophobicContact CG-CG 3.85Å; M483-F489 HydrophobicContact SD-CD2 3.71Å; M483-F489 HydrophobicContact SD-CE2 3.76Å; F489-V491 HydrophobicContact CD2-CG1 4.02Å; F489-V491 HydrophobicContact CE2-CG1 3.91Å; F489-I546 HydrophobicContact CD2-CB 4.47Å; F489-I546 HydrophobicContact CE1-CB 4.24Å; F489-I546 HydrophobicContact CE1-CG2 3.99Å; F489-I546 HydrophobicContact CE2-CB 4.01Å; F489-I546 HydrophobicContact CE2-CD1 3.71Å; F489-I546 HydrophobicContact CE2-CG1 4.37Å; F489-I546 HydrophobicContact CE2-CG2 4.36Å; F489-I546 HydrophobicContact CZ-CB 3.86Å; F489-I546 HydrophobicContact CZ-CD1 3.99Å; F489-I546 HydrophobicContact CZ-CG2 3.72Å; F489-I546 PolarHBondContact N-O 2.9Å; F489-I546 PolarHBondContact O-N 2.81Å; F489-Y551 AromaticContact CE1-CE1 3.96Å; F489-Y551 HydrophobicContact CE1-CE1 3.96Å; F489-I561 HydrophobicContact CZ-CD1 4.17Å; F489-L582 HydrophobicContact CE2-CD1 3.74Å; F489-L582 HydrophobicContact CZ-CD1 4.27Å; F489-L584 HydrophobicContact CD1-CD2 4.36Å; F489-L584 HydrophobicContact CE1-CD1 4.32Å; F489-L584 HydrophobicContact CE1-CD2 3.46Å; F489-L584 VanDerWaalsContact CE1-CD2 3.46Å; F489-L584 HydrophobicContact CE2-CD2 4.41Å; F489-L584 HydrophobicContact CZ-CD2 3.5Å; F489-L584 VanDerWaalsContact CZ-CD2 3.5Å
490	D	95.3	Very high	92.4	Very high	71 Å²	71	45.1 Å²	45.1	38%	0.38	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	139.1	178.2	-73	-26.3	0	0	0	112.2	G480 F492 C545	G480-D490 PolarHBondContact N-O 2.89Å; G480-D490 VanDerWaalsContact N-O 3.15Å; D490-F492 HydrophobicContact CB-CE2 4.09Å; D490-F492 HydrophobicContact CB-CZ 3.92Å; D490-C545 WeakPolarHBondContact OD1-CA 3.18Å; D490-C545 WeakPolarHBondContact OD1-CB 3.42Å; D490-C545 PolarHBondContact OD1-SG 2.85Å; D490-C545 VanDerWaalsContact OD1-SG 3.33Å
491	V	97	Very high	92.9	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	161.1	167.2	-59.8	0	0	0	0	110.4	V479 M483 F489 P543 L544 I546 V563 L582	V479-V491 HydrophobicContact CG1-CG1 4.09Å; M483-V491 HydrophobicContact SD-CG1 4.31Å; F489-V491 HydrophobicContact CD2-CG1 4.02Å; F489-V491 HydrophobicContact CE2-CG1 3.91Å; V491-P543 CarbonylContact O-C 3.55Å; V491-P543 WeakPolarHBondContact O-CA 3.33Å; V491-L544 HydrophobicContact CG2-CB 3.91Å; V491-L544 HydrophobicContact CG2-CD2 4.22Å; V491-L544 HydrophobicContact CG2-CG 4.37Å; V491-L544 PolarHBondContact N-O 3.39Å; V491-L544 PolarHBondContact O-N 2.87Å; V491-I546 HydrophobicContact CG1-CD1 4.31Å; V491-I546 HydrophobicContact CG2-CD1 3.9Å; V491-V563 HydrophobicContact CG2-CG1 4.12Å; V491-V563 HydrophobicContact CG2-CG2 4.1Å; V491-L582 HydrophobicContact CG1-CD1 3.68Å
492	F	97.4	Very high	93.7	Very high	59 Å²	59	44.9 Å²	44.9	26%	0.259	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	127.4	-170.8	-53.4	-95.8	0	0	0	110.7	I477 R478 D490 H494 I542 P543	I477-F492 WeakPolarHBondContact CA-O 3.46Å; R478-F492 HydrophobicContact CB-CB 4.34Å; R478-F492 PolarHBondContact N-O 3.15Å; R478-F492 PolarHBondContact O-N 3.08Å; D490-F492 HydrophobicContact CB-CE2 4.09Å; D490-F492 HydrophobicContact CB-CZ 3.92Å; F492-H494 PolarHBondContact O-N 2.75Å; F492-I542 WeakPolarHBondContact CA-O 3.38Å; F492-P543 HydrophobicContact CD1-CB 3.84Å; F492-P543 HydrophobicContact CE1-CB 3.74Å
493	A	97.8	Very high	94.9	Very high	2 Å²	2	43 Å²	43	2%	0.017	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	115.3	160.2	0	0	0	0	0	108.7	M475 I477 L507 L509 S541 I542 A565	M475-A493 HydrophobicContact SD-CB 4.44Å; I477-A493 HydrophobicContact CD1-CB 4.3Å; A493-L507 HydrophobicContact CB-CD2 4.38Å; A493-L509 HydrophobicContact CB-CD1 4.17Å; A493-L509 HydrophobicContact CB-CD2 3.37Å; A493-L509 HydrophobicContact CB-CG 4.38Å; A493-S541 WeakPolarHBondContact O-CA 3.4Å; A493-I542 PolarHBondContact N-O 3.47Å; A493-I542 PolarHBondContact O-N 3.15Å; A493-A565 HydrophobicContact CB-CB 4.13Å
494	H	97.6	Very high	95.3	Very high	3 Å²	3	45 Å²	45	1%	0.014	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	114.4	-176.8	-175.8	89.3	0	0	0	109	M475 R476 R478 F492 E539 K540 S541	M475-H494 WeakPolarHBondContact CA-O 3.46Å; R476-H494 HydrophobicContact CG-CB 4.28Å; R476-H494 PolarHBondContact N-O 2.9Å; R476-H494 PolarHBondContact NH1-CD2 3.46Å; R476-H494 PolarHBondContact NH2-CD2 3.02Å; R476-H494 PolarHBondContact NH2-NE2 3.33Å; R476-H494 PolarHBondContact O-N 3.15Å; R478-H494 HydrophobicContact CG-CB 3.96Å; F492-H494 PolarHBondContact O-N 2.75Å; H494-E539 IonicContact CE1-OE2 3.44Å; H494-E539 PolarHBondContact CE1-OE2 2.61Å; H494-E539 VanDerWaalsContact NE2-CD 3.35Å; H494-E539 IonicContact NE2-OE1 2.85Å; H494-E539 IonicContact NE2-OE2 2.69Å; H494-E539 PolarHBondContact NE2-OE2 3.1Å; H494-E539 VanDerWaalsContact NE2-OE2 3.15Å; H494-K540 WeakPolarHBondContact CA-O 3.21Å; H494-S541 PolarHBondContact ND1-OG 2.61Å
495	I	97.4	Very high	95.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.4	-173.6	-56.9	159.9	0	0	0	108	A474 M475 L507 L532 L534 E539 K540 L567	A474-I495 CarbonylContact O-C 3.57Å; A474-I495 WeakPolarHBondContact O-CA 3.47Å; M475-I495 HydrophobicContact CB-CG1 4.38Å; M475-I495 HydrophobicContact CG-CG1 3.9Å; M475-I495 HydrophobicContact SD-CD1 4.43Å; M475-I495 HydrophobicContact SD-CG1 3.93Å; I495-L507 HydrophobicContact CD1-CD1 4.35Å; I495-L507 HydrophobicContact CD1-CD2 4.13Å; I495-L532 HydrophobicContact CD1-CD2 3.67Å; I495-L534 HydrophobicContact CB-CD2 4.38Å; I495-L534 HydrophobicContact CD1-CD2 4.27Å; I495-L534 HydrophobicContact CG2-CD1 3.78Å; I495-L534 HydrophobicContact CG2-CD2 3.99Å; I495-E539 CarbonylContact O-C 3.53Å; I495-E539 VanDerWaalsContact O-CA 3.28Å; I495-E539 WeakPolarHBondContact O-CA 3.43Å; I495-K540 PolarHBondContact N-O 2.9Å; I495-K540 PolarHBondContact O-N 3.45Å; I495-L567 HydrophobicContact CD1-CD1 4.06Å; I495-L567 HydrophobicContact CD1-CD2 4.28Å; I495-L567 HydrophobicContact CG1-CD2 4.35Å; I495-L567 HydrophobicContact CG2-CD2 3.8Å
496	T	96.6	Very high	95.5	Very high	28 Å²	28	44.7 Å²	44.7	17%	0.172	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.4	175.2	-56.6	0	0	0	0	107.9	M473 A474 E539	M473-T496 WeakPolarHBondContact CA-O 3.42Å; A474-T496 PolarHBondContact N-O 2.91Å; A474-T496 PolarHBondContact O-N 2.89Å; T496-E539 HydrophobicContact CG2-CG 4.16Å; T496-E539 PolarHBondContact OG1-OE1 2.94Å
497	N	95.3	Very high	95.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	108.9	168.2	177.8	12.8	0	0	0	108.1	T499 E501 E535 F537 S538	N497-T499 WeakPolarHBondContact OD1-CB 3.41Å; N497-T499 PolarHBondContact OD1-N 3.32Å; N497-T499 PolarHBondContact OD1-OG1 2.94Å; N497-E501 PolarHBondContact ND2-O 3.31Å; N497-E535 PolarHBondContact ND2-O 2.97Å; N497-F537 CarbonylContact O-C 3.54Å; N497-F537 WeakPolarHBondContact O-CA 3.45Å; N497-F537 PolarHBondContact O-N 3.29Å; N497-S538 PolarHBondContact N-O 2.8Å; N497-S538 PolarHBondContact O-N 3.38Å; N497-S538 VanDerWaalsContact O-N 3.08Å
498	N	94.3	Very high	95.7	Very high	115 Å²	115	43.1 Å²	43.1	62%	0.615	23%	0.226	S	C	*	.			trans	-105	27.8	177.6	-161.2	45.2	0	0	0	112.1	G472 F537	G472-N498 PolarHBondContact O-N 2.88Å; N498-F537 WeakPolarHBondContact O-CE1 3.05Å
499	T	93.6	Very high	95.8	Very high	26 Å²	26	38.7 Å²	38.7	16%	0.16	20%	0.202	C	C	.	.	S	Bend	trans	-111.5	165.2	177.1	77	0	0	0	0	110.9	N497 E501 Y503 F537	N497-T499 WeakPolarHBondContact OD1-CB 3.41Å; N497-T499 PolarHBondContact OD1-N 3.32Å; N497-T499 PolarHBondContact OD1-OG1 2.94Å; T499-E501 VanDerWaalsContact C-N 3.25Å; T499-E501 PolarHBondContact OG1-N 2.51Å; T499-E501 PolarHBondContact OG1-O 2.72Å; T499-Y503 VanDerWaalsContact OG1-CE2 3.26Å; T499-Y503 WeakPolarHBondContact OG1-CE2 3.19Å; T499-Y503 PolarHBondContact OG1-OH 2.8Å; T499-F537 PolarHBondContact O-N 3.41Å
500	A	94.2	Very high	95.8	Very high	66 Å²	66	38.4 Å²	38.4	55%	0.545	20%	0.202	S	C	.	.	S	Bend	trans	-77.6	-11.9	173.4	0	0	0	0	0	113.3	P536 F537	A500-P536 WeakPolarHBondContact O-CB 3.16Å; A500-P536 WeakPolarHBondContact O-CG 3.4Å; A500-F537 VanDerWaalsContact CA-CE2 3.48Å; A500-F537 HydrophobicContact CB-CE2 3.8Å; A500-F537 HydrophobicContact CB-CZ 3.88Å
501	E	93.4	Very high	95.9	Very high	120 Å²	120	35 Å²	35	56%	0.561	18%	0.183	S	C	*	.	S	Bend	trans	-84.4	144.5	-177.5	-57.8	-57.6	149.6	0	0	110.8	N497 T499 Y503	N497-E501 PolarHBondContact ND2-O 3.31Å; T499-E501 VanDerWaalsContact C-N 3.25Å; T499-E501 PolarHBondContact OG1-N 2.51Å; T499-E501 PolarHBondContact OG1-O 2.72Å; E501-Y503 HydrophobicContact CB-CE1 3.99Å; E501-Y503 HydrophobicContact CB-CE2 4.04Å
502	E	93.8	Very high	95.9	Very high	105 Å²	105	37.7 Å²	37.7	49%	0.491	19%	0.193	S	C	.	.			trans	-90.7	135.9	166.7	-172.1	-174.6	167	0	0	108.6	P536	E502-P536 HydrophobicContact CB-CG 4.16Å
503	Y	94.4	Very high	95.8	Very high	39 Å²	39	35 Å²	35	15%	0.153	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	143.9	179.3	-57.2	-76.1	0	0	0	112.1	M473 T499 E501 C505 N533 L534 E569	M473-Y503 HydrophobicContact CE-CD1 4.48Å; M473-Y503 HydrophobicContact CE-CD2 4.1Å; M473-Y503 HydrophobicContact CE-CE1 4.4Å; M473-Y503 HydrophobicContact CE-CE2 3.97Å; M473-Y503 HydrophobicContact CE-CG 4.33Å; M473-Y503 HydrophobicContact CG-CD2 4.39Å; M473-Y503 HydrophobicContact CG-CE2 4.03Å; M473-Y503 HydrophobicContact SD-CD2 3.54Å; M473-Y503 VanDerWaalsContact SD-CD2 3.54Å; M473-Y503 HydrophobicContact SD-CE2 3.69Å; M473-Y503 HydrophobicContact SD-CG 4.17Å; T499-Y503 VanDerWaalsContact OG1-CE2 3.26Å; T499-Y503 WeakPolarHBondContact OG1-CE2 3.19Å; T499-Y503 PolarHBondContact OG1-OH 2.8Å; E501-Y503 HydrophobicContact CB-CE1 3.99Å; E501-Y503 HydrophobicContact CB-CE2 4.04Å; Y503-C505 VanDerWaalsContact CB-SG 3.55Å; Y503-N533 CarbonylContact O-C 3.54Å; Y503-N533 WeakPolarHBondContact O-CA 3.48Å; Y503-L534 PolarHBondContact N-O 3.14Å; Y503-L534 VanDerWaalsContact N-O 3.08Å; Y503-L534 PolarHBondContact O-N 3.06Å; Y503-E569 HydrophobicContact CD1-CG 3.6Å; Y503-E569 HydrophobicContact CE1-CG 4.12Å; Y503-E569 HydrophobicContact CG-CG 4.21Å
504	V	96.1	Very high	95.7	Very high	69 Å²	69	34.9 Å²	34.9	42%	0.418	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	100.9	164.2	-176.9	0	0	0	0	107.5	N531 P570	V504-N531 HydrophobicContact CG1-CB 4.27Å; V504-P570 WeakPolarHBondContact O-CD 3.09Å
505	C	95.5	Very high	95.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	163.7	-174.4	-57.3	0	0	0	0	112.2	Y503 L532 L534 L567 V568	Y503-C505 VanDerWaalsContact CB-SG 3.55Å; C505-L532 PolarHBondContact N-O 2.89Å; C505-L532 WeakPolarHBondContact O-CB 3.49Å; C505-L532 PolarHBondContact O-N 3.13Å; C505-L534 HydrophobicContact CB-CD1 4.4Å; C505-L567 HydrophobicContact CB-CD1 3.48Å; C505-L567 VanDerWaalsContact CB-CD1 3.48Å; C505-L567 HydrophobicContact CB-CG 4.18Å; C505-V568 VanDerWaalsContact CA-O 3.31Å; C505-V568 WeakPolarHBondContact CA-O 3.49Å; C505-V568 WeakPolarHBondContact CB-O 3.38Å
506	R	95.5	Very high	95.2	Very high	75 Å²	75	35.5 Å²	35.5	28%	0.283	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.1	163.4	-52.1	-177.9	-55.4	174.3	6.5	108.9	L529 L567 V568	R506-L529 CarbonylContact C-O 3.46Å; R506-L529 WeakPolarHBondContact CA-O 3.31Å; R506-L567 CarbonylContact O-C 3.58Å; R506-L567 WeakPolarHBondContact O-CA 3.31Å; R506-V568 HydrophobicContact CB-CB 4.28Å; R506-V568 PolarHBondContact N-O 2.82Å; R506-V568 PolarHBondContact O-N 3Å
507	L	97	Very high	94.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.9	173.5	177.8	69.4	0	0	0	110.3	M475 A493 I495 L509 L529 L532 I542 A565 L566 L567	M475-L507 HydrophobicContact SD-CD1 3.75Å; A493-L507 HydrophobicContact CB-CD2 4.38Å; I495-L507 HydrophobicContact CD1-CD1 4.35Å; I495-L507 HydrophobicContact CD1-CD2 4.13Å; L507-L509 HydrophobicContact CD1-CD2 4.17Å; L507-L509 HydrophobicContact CD2-CD1 4.18Å; L507-L509 HydrophobicContact CD2-CD2 4.36Å; L507-L509 HydrophobicContact CD2-CG 4.18Å; L507-L509 HydrophobicContact CG-CD2 4.3Å; L507-L509 HydrophobicContact CG-CG 4.16Å; L507-L529 HydrophobicContact CB-CB 4.4Å; L507-L529 HydrophobicContact CD2-CD1 4.47Å; L507-L529 PolarHBondContact N-O 3.36Å; L507-L529 PolarHBondContact O-N 3.2Å; L507-L532 HydrophobicContact CB-CD2 3.8Å; L507-L532 HydrophobicContact CD2-CD2 3.94Å; L507-L532 HydrophobicContact CG-CD2 4.46Å; L507-I542 HydrophobicContact CD2-CB 3.8Å; L507-I542 HydrophobicContact CD2-CG1 3.64Å; L507-I542 HydrophobicContact CD2-CG2 3.98Å; L507-A565 HydrophobicContact CD1-CB 4.37Å; L507-L566 WeakPolarHBondContact CA-O 3.25Å; L507-L567 HydrophobicContact CB-CD1 4.15Å; L507-L567 HydrophobicContact CD1-CB 4.3Å; L507-L567 HydrophobicContact CD1-CD1 4.24Å
508	L	96.4	Very high	94.5	Very high	14 Å²	14	35.2 Å²	35.2	7%	0.073	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.2	177.6	-52.5	166.9	0	0	0	107.8	E319 F320 H528 A565 L566	E319-L508 WeakPolarHBondContact O-CD1 3.29Å; F320-L508 HydrophobicContact CD1-CD1 4.21Å; F320-L508 HydrophobicContact CD1-CD2 4.42Å; L508-H528 HydrophobicContact CD2-CB 4.22Å; L508-H528 WeakPolarHBondContact CD2-ND1 3.4Å; L508-A565 CarbonylContact O-C 3.56Å; L508-A565 VanDerWaalsContact O-CA 3.25Å; L508-A565 WeakPolarHBondContact O-CA 3.44Å; L508-L566 HydrophobicContact CB-CB 4.4Å; L508-L566 HydrophobicContact CD1-CD2 4.19Å; L508-L566 PolarHBondContact N-O 3.12Å; L508-L566 PolarHBondContact O-N 3.46Å
509	L	96.7	Very high	94.2	Very high	2 Å²	2	34 Å²	34	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129	176	-61.2	175.6	0	0	0	109.7	A493 L507 T526 K527 I542 L544 R564 A565	A493-L509 HydrophobicContact CB-CD1 4.17Å; A493-L509 HydrophobicContact CB-CD2 3.37Å; A493-L509 HydrophobicContact CB-CG 4.38Å; L507-L509 HydrophobicContact CD1-CD2 4.17Å; L507-L509 HydrophobicContact CD2-CD1 4.18Å; L507-L509 HydrophobicContact CD2-CD2 4.36Å; L507-L509 HydrophobicContact CD2-CG 4.18Å; L507-L509 HydrophobicContact CG-CD2 4.3Å; L507-L509 HydrophobicContact CG-CG 4.16Å; L509-T526 CarbonylContact O-C 3.6Å; L509-T526 VanDerWaalsContact O-CA 3.29Å; L509-T526 WeakPolarHBondContact O-CA 3.31Å; L509-K527 HydrophobicContact CB-CB 4.21Å; L509-K527 HydrophobicContact CD1-CB 4.4Å; L509-K527 PolarHBondContact N-O 3.15Å; L509-K527 PolarHBondContact O-N 3.09Å; L509-I542 HydrophobicContact CD1-CB 4.3Å; L509-I542 HydrophobicContact CD1-CG2 3.81Å; L509-L544 HydrophobicContact CB-CD2 4.29Å; L509-L544 HydrophobicContact CD1-CB 4.32Å; L509-R564 WeakPolarHBondContact CA-O 3.33Å; L509-A565 HydrophobicContact CD2-CB 3.35Å
510	C	96.9	Very high	94.1	Very high	8 Å²	8	35.3 Å²	35.3	5%	0.054	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	127.8	177.9	-177.4	0	0	0	0	109.5	G525 T526 R564	C510-G525 CarbonylContact C-O 3.59Å; C510-T526 HydrophobicContact CB-CG2 4.37Å; C510-R564 PolarHBondContact N-O 3.15Å; C510-R564 PolarHBondContact O-N 3.05Å
511	A	97.2	Very high	94	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.1	171	0	0	0	0	0	108.8	E523 C524 G525 L544 I546 I561 K562 V563	A511-E523 CarbonylContact O-C 3.55Å; A511-E523 WeakPolarHBondContact O-CA 3.48Å; A511-C524 PolarHBondContact O-N 2.95Å; A511-C524 PolarHBondContact O-SG 3.49Å; A511-C524 VanDerWaalsContact O-SG 3.38Å; A511-G525 PolarHBondContact N-O 3.15Å; A511-G525 PolarHBondContact O-N 2.85Å; A511-L544 HydrophobicContact CB-CD2 3.79Å; A511-I546 HydrophobicContact CB-CD1 3.65Å; A511-I546 HydrophobicContact CB-CG1 4.05Å; A511-I561 HydrophobicContact CB-CG2 4.18Å; A511-K562 WeakPolarHBondContact CA-O 3.11Å; A511-V563 HydrophobicContact CB-CG2 4.1Å
512	R	96.7	Very high	94.1	Very high	57 Å²	57	30.7 Å²	30.7	22%	0.215	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144	179.7	-61.6	178.3	68.3	161.9	-8.8	109.1	E322 G521 P522 E523 I561 K562	E322-R512 IonicContact OE1-NH1 2.81Å; E322-R512 PolarHBondContact OE1-NH1 3.41Å; E322-R512 VanDerWaalsContact OE1-NH1 3.08Å; R512-G521 VanDerWaalsContact CZ-O 3.31Å; R512-G521 PolarHBondContact NE-O 2.8Å; R512-G521 PolarHBondContact NH2-O 2.99Å; R512-P522 WeakPolarHBondContact CA-O 3.38Å; R512-E523 HydrophobicContact CG-CB 4.32Å; R512-I561 CarbonylContact O-C 3.57Å; R512-I561 WeakPolarHBondContact O-CA 3.32Å; R512-K562 PolarHBondContact N-O 3.05Å; R512-K562 PolarHBondContact O-N 3.25Å
513	T	96.2	Very high	94.1	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	149.2	167	62	0	0	0	0	108.7	G521 P522 C554 L555 I561	T513-G521 PolarHBondContact O-N 2.87Å; T513-P522 PolarHBondContact N-O 3.26Å; T513-C554 WeakPolarHBondContact CB-O 3.3Å; T513-C554 PolarHBondContact OG1-O 2.72Å; T513-L555 HydrophobicContact CG2-CB 4.43Å; T513-L555 HydrophobicContact CG2-CD1 4.17Å; T513-I561 HydrophobicContact CG2-CG1 4.48Å
514	V	95	Very high	94.2	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	144.1	-178.8	72.8	0	0	0	0	110.1	I519 L520 T556 L560 K562	V514-I519 WeakPolarHBondContact CA-O 3.27Å; V514-I519 WeakPolarHBondContact CG2-O 3.1Å; V514-L520 HydrophobicContact CB-CD2 4.34Å; V514-L520 HydrophobicContact CG2-CD2 3.82Å; V514-T556 PolarHBondContact O-OG1 3.07Å; V514-L560 HydrophobicContact CG1-CB 3.62Å; V514-L560 PolarHBondContact N-O 3.2Å; V514-L560 WeakPolarHBondContact O-CB 3.44Å; V514-K562 HydrophobicContact CB-CB 4.16Å; V514-K562 HydrophobicContact CG1-CB 3.99Å
515	S	92.9	Very high	94.2	Very high	14 Å²	14	26.9 Å²	26.9	10%	0.098	14%	0.143	C	C	.	.			trans	-76.5	165.3	166.1	67.6	0	0	0	0	110.5	N517 G518 I519	S515-N517 VanDerWaalsContact CB-OD1 3.31Å; S515-N517 WeakPolarHBondContact CB-OD1 3.29Å; S515-N517 PolarHBondContact O-N 3.3Å; S515-N517 PolarHBondContact OG-OD1 3.25Å; S515-G518 PolarHBondContact O-N 2.92Å; S515-G518 VanDerWaalsContact O-N 3.11Å; S515-I519 PolarHBondContact N-O 3.35Å; S515-I519 WeakPolarHBondContact OG-CA 2.95Å; S515-I519 VanDerWaalsContact OG-CB 3.23Å; S515-I519 WeakPolarHBondContact OG-CB 3.29Å; S515-I519 PolarHBondContact OG-N 3.32Å
516	Y	92.4	Very high	94.3	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.012	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.4	178.1	87.4	-82.9	0	0	0	113.4	W241 Q276 C277 W278 W332 N333 F334 G518	W241-Y516 AromaticContact CD1-CE1 3.78Å; W241-Y516 AromaticContact CD1-CZ 3.98Å; W241-Y516 AromaticContact NE1-CE1 3.95Å; W241-Y516 AromaticContact NE1-CZ 3.71Å; W241-Y516 PolarHBondContact NE1-OH 3.27Å; Q276-Y516 HydrophobicContact CB-CE1 4.22Å; Q276-Y516 HydrophobicContact CG-CE1 4.2Å; Q276-Y516 VanDerWaalsContact OE1-CE1 3.22Å; C277-Y516 PolarHBondContact N-OH 2.88Å; C277-Y516 WeakPolarHBondContact SG-CE2 3.38Å; C277-Y516 PolarHBondContact SG-OH 3.47Å; W278-Y516 HydrophobicContact CE3-CE2 4.42Å; W278-Y516 HydrophobicContact CH2-CD1 4.11Å; W278-Y516 HydrophobicContact CH2-CE1 4.05Å; W278-Y516 AromaticContact CZ3-CD1 3.7Å; W278-Y516 HydrophobicContact CZ3-CD1 3.7Å; W278-Y516 HydrophobicContact CZ3-CD2 4.08Å; W278-Y516 AromaticContact CZ3-CE1 3.55Å; W278-Y516 HydrophobicContact CZ3-CE1 3.55Å; W278-Y516 AromaticContact CZ3-CE2 3.95Å; W278-Y516 HydrophobicContact CZ3-CE2 3.95Å; W278-Y516 AromaticContact CZ3-CG 3.96Å; W278-Y516 HydrophobicContact CZ3-CG 3.96Å; W278-Y516 AromaticContact CZ3-CZ 3.66Å; W332-Y516 HydrophobicContact CE3-CD2 4.36Å; W332-Y516 AromaticContact CE3-CE2 3.53Å; W332-Y516 HydrophobicContact CE3-CE2 3.53Å; W332-Y516 AromaticContact CZ3-CE2 3.61Å; W332-Y516 HydrophobicContact CZ3-CE2 3.61Å; W332-Y516 AromaticContact CZ3-CZ 3.81Å; W332-Y516 VanDerWaalsContact CZ3-OH 3.28Å; W332-Y516 WeakPolarHBondContact CZ3-OH 3.37Å; N333-Y516 VanDerWaalsContact CB-O 3.27Å; N333-Y516 WeakPolarHBondContact CB-O 3.42Å; N333-Y516 PolarHBondContact N-O 2.95Å; F334-Y516 HydrophobicContact CD1-CD2 4.44Å; F334-Y516 HydrophobicContact CD2-CD2 4.35Å; F334-Y516 HydrophobicContact CE1-CD2 4.08Å; F334-Y516 HydrophobicContact CE1-CG 4.17Å; F334-Y516 AromaticContact CE2-CD2 3.97Å; F334-Y516 HydrophobicContact CE2-CD2 3.97Å; F334-Y516 HydrophobicContact CE2-CE2 4.46Å; F334-Y516 AromaticContact CZ-CD2 3.82Å; F334-Y516 HydrophobicContact CZ-CD2 3.82Å; F334-Y516 HydrophobicContact CZ-CG 4.04Å; F334-Y516 WeakPolarHBondContact O-CD2 3.44Å; Y516-G518 VanDerWaalsContact C-N 3.28Å; Y516-G518 PolarHBondContact O-N 2.86Å
517	N	87.3	Confident	94.4	Very high	20 Å²	20	29.5 Å²	29.5	11%	0.107	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	14.6	176.8	69.5	-36.5	0	0	0	113.5	W332 S515	W332-N517 HydrophobicContact CD2-CB 3.58Å; W332-N517 HydrophobicContact CE3-CB 3.93Å; W332-N517 HydrophobicContact CG-CB 4.02Å; W332-N517 HydrophobicContact CH2-CB 4.22Å; W332-N517 HydrophobicContact CZ2-CB 3.9Å; W332-N517 HydrophobicContact CZ3-CB 4.25Å; S515-N517 VanDerWaalsContact CB-OD1 3.31Å; S515-N517 WeakPolarHBondContact CB-OD1 3.29Å; S515-N517 PolarHBondContact O-N 3.3Å; S515-N517 PolarHBondContact OG-OD1 3.25Å
518	G	88.4	Confident	94.3	Very high	2 Å²	2	34 Å²	34	2%	0.021	18%	0.182	C	C	.	.			trans	87.2	4.7	171.1	0	0	0	0	0	115.9	M330 S515 Y516 L520	M330-G518 WeakPolarHBondContact CG-O 2.98Å; S515-G518 PolarHBondContact O-N 2.92Å; S515-G518 VanDerWaalsContact O-N 3.11Å; Y516-G518 VanDerWaalsContact C-N 3.28Å; Y516-G518 PolarHBondContact O-N 2.86Å; G518-L520 PolarHBondContact O-N 2.87Å
519	I	89.4	Confident	94.2	Very high	91 Å²	91	36 Å²	36	47%	0.467	19%	0.192	S	C	.	.			trans	-68.7	115.9	175.3	-56.3	172	0	0	0	108.7	V514 S515	V514-I519 WeakPolarHBondContact CA-O 3.27Å; V514-I519 WeakPolarHBondContact CG2-O 3.1Å; S515-I519 PolarHBondContact N-O 3.35Å; S515-I519 WeakPolarHBondContact OG-CA 2.95Å; S515-I519 VanDerWaalsContact OG-CB 3.23Å; S515-I519 WeakPolarHBondContact OG-CB 3.29Å; S515-I519 PolarHBondContact OG-N 3.32Å
520	L	91.3	Very high	94.1	Very high	53 Å²	53	41.4 Å²	41.4	28%	0.277	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	122.7	-177.6	-64.4	172.2	0	0	0	111.1	M330 V514 G518 K562	M330-L520 HydrophobicContact CE-CD1 4.15Å; V514-L520 HydrophobicContact CB-CD2 4.34Å; V514-L520 HydrophobicContact CG2-CD2 3.82Å; G518-L520 PolarHBondContact O-N 2.87Å; L520-K562 HydrophobicContact CD2-CB 4.46Å; L520-K562 HydrophobicContact CD2-CD 4.06Å
521	G	92.4	Very high	93.9	Very high	21 Å²	21	47.4 Å²	47.4	22%	0.216	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-168.4	166.9	0	0	0	0	0	112.6	R512 T513	R512-G521 VanDerWaalsContact CZ-O 3.31Å; R512-G521 PolarHBondContact NE-O 2.8Å; R512-G521 PolarHBondContact NH2-O 2.99Å; T513-G521 PolarHBondContact O-N 2.87Å
522	P	93.6	Very high	93.9	Very high	67 Å²	67	47.8 Å²	47.8	44%	0.435	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	166.9	175.6	30.5	-34.5	0	0	0	112.1	R512 T513 C554	R512-P522 WeakPolarHBondContact CA-O 3.38Å; T513-P522 PolarHBondContact N-O 3.26Å; P522-C554 HydrophobicContact CG-CB 3.67Å; P522-C554 VanDerWaalsContact CG-SG 3.55Å
523	E	95.3	Very high	93.9	Very high	116 Å²	116	48.3 Å²	48.3	54%	0.542	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	137.7	172.2	62.3	176.4	-147.6	0	0	112.3	A511 R512 T526	A511-E523 CarbonylContact O-C 3.55Å; A511-E523 WeakPolarHBondContact O-CA 3.48Å; R512-E523 HydrophobicContact CG-CB 4.32Å; E523-T526 HydrophobicContact CB-CG2 4.16Å; E523-T526 HydrophobicContact CG-CG2 4.47Å; E523-T526 WeakPolarHBondContact OE2-CG2 3.28Å
524	C	96.6	Very high	93.9	Very high	6 Å²	6	48.3 Å²	48.3	4%	0.041	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	-3.6	174.8	59.7	0	0	0	0	112.7	A511 K550	A511-C524 PolarHBondContact O-N 2.95Å; A511-C524 PolarHBondContact O-SG 3.49Å; A511-C524 VanDerWaalsContact O-SG 3.38Å; C524-K550 HydrophobicContact CB-CB 4.14Å; C524-K550 WeakPolarHBondContact O-CB 3.43Å
525	G	96.4	Very high	94	Very high	12 Å²	12	52.8 Å²	52.8	12%	0.124	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	135	170.5	0	0	0	0	0	111.6	C510 A511	C510-G525 CarbonylContact C-O 3.59Å; A511-G525 PolarHBondContact N-O 3.15Å; A511-G525 PolarHBondContact O-N 2.85Å
526	T	96.6	Very high	94.1	Very high	55 Å²	55	54.5 Å²	54.5	34%	0.337	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	149.5	177.2	51.2	0	0	0	0	112.1	L509 C510 E523	L509-T526 CarbonylContact O-C 3.6Å; L509-T526 VanDerWaalsContact O-CA 3.29Å; L509-T526 WeakPolarHBondContact O-CA 3.31Å; C510-T526 HydrophobicContact CB-CG2 4.37Å; E523-T526 HydrophobicContact CB-CG2 4.16Å; E523-T526 HydrophobicContact CG-CG2 4.47Å; E523-T526 WeakPolarHBondContact OE2-CG2 3.28Å
527	K	96.8	Very high	94.3	Very high	75 Å²	75	60.8 Å²	60.8	33%	0.326	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	128.8	172.7	-178	169.9	-69.8	-178.6	0	110.2	L509 I542 P543 L544	L509-K527 HydrophobicContact CB-CB 4.21Å; L509-K527 HydrophobicContact CD1-CB 4.4Å; L509-K527 PolarHBondContact N-O 3.15Å; L509-K527 PolarHBondContact O-N 3.09Å; K527-I542 HydrophobicContact CD-CG2 4.05Å; K527-P543 WeakPolarHBondContact CD-O 3.42Å; K527-P543 WeakPolarHBondContact CE-O 3.45Å; K527-P543 PolarHBondContact NZ-O 3.3Å; K527-L544 HydrophobicContact CB-CD1 3.98Å
528	H	95.3	Very high	94.7	Very high	96 Å²	96	61.5 Å²	61.5	44%	0.444	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.8	-178.4	-58.7	-92.6	0	0	0	109.5	L508	L508-H528 HydrophobicContact CD2-CB 4.22Å; L508-H528 WeakPolarHBondContact CD2-ND1 3.4Å
529	L	95.3	Very high	95.1	Very high	56 Å²	56	67 Å²	67	29%	0.293	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	109.1	175.5	-59.7	-179.6	0	0	0	108.6	R506 L507 L532 I542	R506-L529 CarbonylContact C-O 3.46Å; R506-L529 WeakPolarHBondContact CA-O 3.31Å; L507-L529 HydrophobicContact CB-CB 4.4Å; L507-L529 HydrophobicContact CD2-CD1 4.47Å; L507-L529 PolarHBondContact N-O 3.36Å; L507-L529 PolarHBondContact O-N 3.2Å; L529-L532 HydrophobicContact CB-CB 4.47Å; L529-L532 HydrophobicContact CD1-CD1 4.19Å; L529-I542 HydrophobicContact CD1-CD1 4.1Å; L529-I542 HydrophobicContact CD1-CG1 4.19Å; L529-I542 HydrophobicContact CD1-CG2 3.69Å
530	L	93.5	Very high	95.5	Very high	115 Å²	115	66.1 Å²	66.1	60%	0.602	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	-28.9	-178.1	-63.7	174.7	0	0	0	113
531	N	94.2	Very high	95.8	Very high	134 Å²	134	66.4 Å²	66.4	72%	0.717	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.6	79	-176.8	-55.4	-53.2	0	0	0	109.2	V504	V504-N531 HydrophobicContact CG1-CB 4.27Å
532	L	96.4	Very high	96.1	Very high	8 Å²	8	66.2 Å²	66.2	4%	0.042	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	107.8	177.9	177.8	64.8	0	0	0	110.4	I495 C505 L507 L529 L534 K540 I542 L567	I495-L532 HydrophobicContact CD1-CD2 3.67Å; C505-L532 PolarHBondContact N-O 2.89Å; C505-L532 WeakPolarHBondContact O-CB 3.49Å; C505-L532 PolarHBondContact O-N 3.13Å; L507-L532 HydrophobicContact CB-CD2 3.8Å; L507-L532 HydrophobicContact CD2-CD2 3.94Å; L507-L532 HydrophobicContact CG-CD2 4.46Å; L529-L532 HydrophobicContact CB-CB 4.47Å; L529-L532 HydrophobicContact CD1-CD1 4.19Å; L532-L534 HydrophobicContact CD2-CD2 4.13Å; L532-L534 HydrophobicContact CG-CD2 4.14Å; L532-K540 HydrophobicContact CD1-CD 3.87Å; L532-I542 HydrophobicContact CD1-CD1 3.86Å; L532-I542 HydrophobicContact CD1-CG1 4.35Å; L532-I542 HydrophobicContact CD2-CG1 4.34Å; L532-L567 HydrophobicContact CD2-CD1 4.29Å
533	N	96.6	Very high	96.2	Very high	67 Å²	67	65.5 Å²	65.5	36%	0.358	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.6	174.8	-57	-0.2	0	0	0	110.5	Y503 K540	Y503-N533 CarbonylContact O-C 3.54Å; Y503-N533 WeakPolarHBondContact O-CA 3.48Å; N533-K540 WeakPolarHBondContact O-CD 3.17Å; N533-K540 PolarHBondContact O-NZ 3.5Å
534	L	95.9	Very high	96.3	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	106.2	173.5	-60.5	179.8	0	0	0	108.5	M473 I495 Y503 C505 L532 K540 L567	M473-L534 HydrophobicContact SD-CD1 4.11Å; I495-L534 HydrophobicContact CB-CD2 4.38Å; I495-L534 HydrophobicContact CD1-CD2 4.27Å; I495-L534 HydrophobicContact CG2-CD1 3.78Å; I495-L534 HydrophobicContact CG2-CD2 3.99Å; Y503-L534 PolarHBondContact N-O 3.14Å; Y503-L534 VanDerWaalsContact N-O 3.08Å; Y503-L534 PolarHBondContact O-N 3.06Å; C505-L534 HydrophobicContact CB-CD1 4.4Å; L532-L534 HydrophobicContact CD2-CD2 4.13Å; L532-L534 HydrophobicContact CG-CD2 4.14Å; L534-K540 HydrophobicContact CD2-CB 4.09Å; L534-K540 HydrophobicContact CD2-CD 4.1Å; L534-L567 HydrophobicContact CD1-CD2 4.15Å
535	E	97	Very high	96.3	Very high	95 Å²	95	62.8 Å²	62.8	44%	0.444	33%	0.333	S	S	.	.			trans	-66.5	151.5	-179.8	-52.8	-64.8	151.4	0	0	110.8	N497 S538	N497-E535 PolarHBondContact ND2-O 2.97Å; E535-S538 WeakPolarHBondContact CB-OG 3.37Å; E535-S538 WeakPolarHBondContact O-CB 3.45Å; E535-S538 PolarHBondContact O-OG 3.33Å
536	P	96.3	Very high	96.3	Very high	50 Å²	50	62.2 Å²	62.2	33%	0.325	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	140.7	172.9	-25.1	34.2	0	0	0	112.3	A500 E502 S538	A500-P536 WeakPolarHBondContact O-CB 3.16Å; A500-P536 WeakPolarHBondContact O-CG 3.4Å; E502-P536 HydrophobicContact CB-CG 4.16Å; P536-S538 PolarHBondContact O-N 3.23Å; P536-S538 VanDerWaalsContact O-N 3.12Å
537	F	95.9	Very high	96.3	Very high	135 Å²	135	62.7 Å²	62.7	59%	0.592	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	38.8	176.5	-55.9	-68.4	0	0	0	114.9	N497 N498 T499 A500	N497-F537 CarbonylContact O-C 3.54Å; N497-F537 WeakPolarHBondContact O-CA 3.45Å; N497-F537 PolarHBondContact O-N 3.29Å; N498-F537 WeakPolarHBondContact O-CE1 3.05Å; T499-F537 PolarHBondContact O-N 3.41Å; A500-F537 VanDerWaalsContact CA-CE2 3.48Å; A500-F537 HydrophobicContact CB-CE2 3.8Å; A500-F537 HydrophobicContact CB-CZ 3.88Å
538	S	96.3	Very high	96.2	Very high	35 Å²	35	59.6 Å²	59.6	25%	0.245	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	162.9	-174.6	79.2	0	0	0	0	113.2	N497 E535 P536	N497-S538 PolarHBondContact N-O 2.8Å; N497-S538 PolarHBondContact O-N 3.38Å; N497-S538 VanDerWaalsContact O-N 3.08Å; E535-S538 WeakPolarHBondContact CB-OG 3.37Å; E535-S538 WeakPolarHBondContact O-CB 3.45Å; E535-S538 PolarHBondContact O-OG 3.33Å; P536-S538 PolarHBondContact O-N 3.23Å; P536-S538 VanDerWaalsContact O-N 3.12Å
539	E	96.8	Very high	96.3	Very high	118 Å²	118	62.1 Å²	62.1	55%	0.551	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	142.5	171.3	-62.2	-170.9	155.9	0	0	110.7	H494 I495 T496	H494-E539 IonicContact CE1-OE2 3.44Å; H494-E539 PolarHBondContact CE1-OE2 2.61Å; H494-E539 VanDerWaalsContact NE2-CD 3.35Å; H494-E539 IonicContact NE2-OE1 2.85Å; H494-E539 IonicContact NE2-OE2 2.69Å; H494-E539 PolarHBondContact NE2-OE2 3.1Å; H494-E539 VanDerWaalsContact NE2-OE2 3.15Å; I495-E539 CarbonylContact O-C 3.53Å; I495-E539 VanDerWaalsContact O-CA 3.28Å; I495-E539 WeakPolarHBondContact O-CA 3.43Å; T496-E539 HydrophobicContact CG2-CG 4.16Å; T496-E539 PolarHBondContact OG1-OE1 2.94Å
540	K	97.4	Very high	96.3	Very high	73 Å²	73	65.9 Å²	65.9	32%	0.317	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	134.8	176.9	-161.3	159.1	-175.7	169.3	0	110.6	H494 I495 L532 N533 L534 I542	H494-K540 WeakPolarHBondContact CA-O 3.21Å; I495-K540 PolarHBondContact N-O 2.9Å; I495-K540 PolarHBondContact O-N 3.45Å; L532-K540 HydrophobicContact CD1-CD 3.87Å; N533-K540 WeakPolarHBondContact O-CD 3.17Å; N533-K540 PolarHBondContact O-NZ 3.5Å; L534-K540 HydrophobicContact CD2-CB 4.09Å; L534-K540 HydrophobicContact CD2-CD 4.1Å; K540-I542 HydrophobicContact CG-CD1 4.08Å
541	S	97	Very high	96.5	Very high	58 Å²	58	60.4 Å²	60.4	41%	0.406	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	119.6	179	-57.3	0	0	0	0	110	A493 H494	A493-S541 WeakPolarHBondContact O-CA 3.4Å; H494-S541 PolarHBondContact ND1-OG 2.61Å
542	I	97.9	Very high	96.5	Very high	18 Å²	18	58 Å²	58	9%	0.092	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	117.5	179.8	-55.1	-56.1	0	0	0	109	F492 A493 L507 L509 K527 L529 L532 K540	F492-I542 WeakPolarHBondContact CA-O 3.38Å; A493-I542 PolarHBondContact N-O 3.47Å; A493-I542 PolarHBondContact O-N 3.15Å; L507-I542 HydrophobicContact CD2-CB 3.8Å; L507-I542 HydrophobicContact CD2-CG1 3.64Å; L507-I542 HydrophobicContact CD2-CG2 3.98Å; L509-I542 HydrophobicContact CD1-CB 4.3Å; L509-I542 HydrophobicContact CD1-CG2 3.81Å; K527-I542 HydrophobicContact CD-CG2 4.05Å; L529-I542 HydrophobicContact CD1-CD1 4.1Å; L529-I542 HydrophobicContact CD1-CG1 4.19Å; L529-I542 HydrophobicContact CD1-CG2 3.69Å; L532-I542 HydrophobicContact CD1-CD1 3.86Å; L532-I542 HydrophobicContact CD1-CG1 4.35Å; L532-I542 HydrophobicContact CD2-CG1 4.34Å; K540-I542 HydrophobicContact CG-CD1 4.08Å
543	P	96.8	Very high	96.3	Very high	51 Å²	51	63.8 Å²	63.8	33%	0.331	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	149	-178.8	29.9	-33.7	0	0	0	111.9	V491 F492 K527	V491-P543 CarbonylContact O-C 3.55Å; V491-P543 WeakPolarHBondContact O-CA 3.33Å; F492-P543 HydrophobicContact CD1-CB 3.84Å; F492-P543 HydrophobicContact CE1-CB 3.74Å; K527-P543 WeakPolarHBondContact CD-O 3.42Å; K527-P543 WeakPolarHBondContact CE-O 3.45Å; K527-P543 PolarHBondContact NZ-O 3.3Å
544	L	97.2	Very high	96	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	118.8	165.7	176.6	69.2	0	0	0	107.4	V491 L509 A511 K527 I546 V563	V491-L544 HydrophobicContact CG2-CB 3.91Å; V491-L544 HydrophobicContact CG2-CD2 4.22Å; V491-L544 HydrophobicContact CG2-CG 4.37Å; V491-L544 PolarHBondContact N-O 3.39Å; V491-L544 PolarHBondContact O-N 2.87Å; L509-L544 HydrophobicContact CB-CD2 4.29Å; L509-L544 HydrophobicContact CD1-CB 4.32Å; A511-L544 HydrophobicContact CB-CD2 3.79Å; K527-L544 HydrophobicContact CB-CD1 3.98Å; L544-I546 HydrophobicContact CG-CG1 4.45Å; L544-V563 HydrophobicContact CD2-CG1 4.48Å
545	C	95.8	Very high	95.9	Very high	62 Å²	62	64.3 Å²	64.3	42%	0.419	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	131.3	176.5	-169.3	0	0	0	0	109.2	D490	D490-C545 WeakPolarHBondContact OD1-CA 3.18Å; D490-C545 WeakPolarHBondContact OD1-CB 3.42Å; D490-C545 PolarHBondContact OD1-SG 2.85Å; D490-C545 VanDerWaalsContact OD1-SG 3.33Å
546	I	96.7	Very high	95.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119	179.4	-62.3	171.9	0	0	0	107.4	D488 F489 V491 A511 L544 Y551 I561 V563 L582	D488-I546 WeakPolarHBondContact CA-O 3.36Å; F489-I546 HydrophobicContact CD2-CB 4.47Å; F489-I546 HydrophobicContact CE1-CB 4.24Å; F489-I546 HydrophobicContact CE1-CG2 3.99Å; F489-I546 HydrophobicContact CE2-CB 4.01Å; F489-I546 HydrophobicContact CE2-CD1 3.71Å; F489-I546 HydrophobicContact CE2-CG1 4.37Å; F489-I546 HydrophobicContact CE2-CG2 4.36Å; F489-I546 HydrophobicContact CZ-CB 3.86Å; F489-I546 HydrophobicContact CZ-CD1 3.99Å; F489-I546 HydrophobicContact CZ-CG2 3.72Å; F489-I546 PolarHBondContact N-O 2.9Å; F489-I546 PolarHBondContact O-N 2.81Å; V491-I546 HydrophobicContact CG1-CD1 4.31Å; V491-I546 HydrophobicContact CG2-CD1 3.9Å; A511-I546 HydrophobicContact CB-CD1 3.65Å; A511-I546 HydrophobicContact CB-CG1 4.05Å; L544-I546 HydrophobicContact CG-CG1 4.45Å; I546-Y551 HydrophobicContact CG2-CD1 3.75Å; I546-Y551 HydrophobicContact CG2-CE1 4.23Å; I546-I561 HydrophobicContact CD1-CG2 4.34Å; I546-I561 HydrophobicContact CG2-CD1 4.09Å; I546-V563 HydrophobicContact CD1-CG2 4.14Å; I546-L582 HydrophobicContact CD1-CD1 4.34Å
547	L	96.4	Very high	95.4	Very high	65 Å²	65	59.2 Å²	59.2	34%	0.34	30%	0.303	S	S	.	.			trans	-99.9	139.4	-172.6	-55.2	176.2	0	0	0	111.3	D488 E549 K550 Y551	D488-L547 HydrophobicContact CB-CD2 4.12Å; D488-L547 VanDerWaalsContact OD1-CA 3.26Å; D488-L547 WeakPolarHBondContact OD1-CA 3.43Å; L547-E549 VanDerWaalsContact C-N 3.27Å; L547-E549 PolarHBondContact O-N 2.75Å; L547-K550 HydrophobicContact CB-CB 4.37Å; L547-K550 HydrophobicContact CB-CG 4.01Å; L547-K550 HydrophobicContact CD1-CG 4.36Å; L547-K550 WeakPolarHBondContact O-CB 3.43Å; L547-K550 PolarHBondContact O-N 3.29Å; L547-Y551 WeakPolarHBondContact O-CD1 3.33Å; L547-Y551 PolarHBondContact O-N 2.88Å
548	Y	95.9	Very high	95.1	Very high	9 Å²	9	53.2 Å²	53.2	4%	0.035	28%	0.277	C	S	.	.	H	α-helix	trans	-51.5	-46.4	174.8	170.1	-110.5	0	0	0	112.2	D488 K550 Y551 R552 L613 P614	D488-Y548 PolarHBondContact OD1-N 3.06Å; Y548-K550 PolarHBondContact O-N 3.32Å; Y548-K550 VanDerWaalsContact O-N 3.09Å; Y548-Y551 HydrophobicContact CD2-CD2 4.48Å; Y548-Y551 AromaticContact CD2-CE2 3.66Å; Y548-Y551 HydrophobicContact CD2-CE2 3.66Å; Y548-Y551 AromaticContact CD2-CZ 3.75Å; Y548-Y551 HydrophobicContact CE2-CE2 4.36Å; Y548-Y551 PolarHBondContact O-N 2.61Å; Y548-R552 HydrophobicContact CD2-CB 4.09Å; Y548-R552 HydrophobicContact CE1-CB 4.35Å; Y548-R552 HydrophobicContact CE2-CB 3.62Å; Y548-R552 VanDerWaalsContact O-CB 3.28Å; Y548-R552 WeakPolarHBondContact O-CB 3.32Å; Y548-R552 WeakPolarHBondContact O-CG 3.32Å; Y548-R552 PolarHBondContact O-N 3.2Å; Y548-L613 HydrophobicContact CE2-CD2 4.01Å; Y548-P614 HydrophobicContact CD1-CG 3.65Å; Y548-P614 HydrophobicContact CE1-CG 3.56Å
549	E	96.3	Very high	95.1	Very high	149 Å²	149	51.9 Å²	51.9	70%	0.696	27%	0.267	S	S	*	.	H	α-helix	trans	-59.8	-23.4	178.6	-63.5	-177	171.9	0	0	113.6	L547	L547-E549 VanDerWaalsContact C-N 3.27Å; L547-E549 PolarHBondContact O-N 2.75Å
550	K	96.8	Very high	95.1	Very high	135 Å²	135	46.2 Å²	46.2	59%	0.587	24%	0.241	S	C	*	.	H	α-helix	trans	-90.8	-24.4	-178.7	-64.6	-62.7	-176.5	-175	0	113.7	C524 L547 Y548	C524-K550 HydrophobicContact CB-CB 4.14Å; C524-K550 WeakPolarHBondContact O-CB 3.43Å; L547-K550 HydrophobicContact CB-CB 4.37Å; L547-K550 HydrophobicContact CB-CG 4.01Å; L547-K550 HydrophobicContact CD1-CG 4.36Å; L547-K550 WeakPolarHBondContact O-CB 3.43Å; L547-K550 PolarHBondContact O-N 3.29Å; Y548-K550 PolarHBondContact O-N 3.32Å; Y548-K550 VanDerWaalsContact O-N 3.09Å
551	Y	96.3	Very high	95.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-104.8	-23.6	179	65.9	-109.1	0	0	0	114.1	M485 G486 S487 F489 I546 L547 Y548 D553 C554 L555 I561 L584	M485-Y551 HydrophobicContact SD-CE2 3.92Å; G486-Y551 PolarHBondContact N-OH 3.16Å; S487-Y551 PolarHBondContact N-OH 2.79Å; S487-Y551 PolarHBondContact O-OH 3.01Å; F489-Y551 AromaticContact CE1-CE1 3.96Å; F489-Y551 HydrophobicContact CE1-CE1 3.96Å; I546-Y551 HydrophobicContact CG2-CD1 3.75Å; I546-Y551 HydrophobicContact CG2-CE1 4.23Å; L547-Y551 WeakPolarHBondContact O-CD1 3.33Å; L547-Y551 PolarHBondContact O-N 2.88Å; Y548-Y551 HydrophobicContact CD2-CD2 4.48Å; Y548-Y551 AromaticContact CD2-CE2 3.66Å; Y548-Y551 HydrophobicContact CD2-CE2 3.66Å; Y548-Y551 AromaticContact CD2-CZ 3.75Å; Y548-Y551 HydrophobicContact CE2-CE2 4.36Å; Y548-Y551 PolarHBondContact O-N 2.61Å; Y551-D553 VanDerWaalsContact C-N 3.3Å; Y551-D553 PolarHBondContact O-N 3.05Å; Y551-D553 VanDerWaalsContact O-N 3.11Å; Y551-C554 PolarHBondContact O-N 2.76Å; Y551-L555 HydrophobicContact CD2-CB 4.27Å; Y551-L555 HydrophobicContact CD2-CD1 4.36Å; Y551-L555 HydrophobicContact CD2-CD2 3.98Å; Y551-L555 HydrophobicContact CD2-CG 4.44Å; Y551-L555 HydrophobicContact CE2-CD2 4.13Å; Y551-L555 WeakPolarHBondContact O-CB 3.18Å; Y551-L555 PolarHBondContact O-N 3.34Å; Y551-I561 HydrophobicContact CD1-CD1 3.97Å; Y551-I561 HydrophobicContact CG-CD1 3.93Å; Y551-L584 HydrophobicContact CD2-CD1 4.12Å; Y551-L584 HydrophobicContact CE1-CD1 4.25Å; Y551-L584 HydrophobicContact CE2-CD1 3.61Å
552	R	94.9	Very high	95	Very high	83 Å²	83	41.5 Å²	41.5	31%	0.313	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-38.3	-169.8	57.5	175.1	-76.6	167.6	2.2	115.9	Y548	Y548-R552 HydrophobicContact CD2-CB 4.09Å; Y548-R552 HydrophobicContact CE1-CB 4.35Å; Y548-R552 HydrophobicContact CE2-CB 3.62Å; Y548-R552 VanDerWaalsContact O-CB 3.28Å; Y548-R552 WeakPolarHBondContact O-CB 3.32Å; Y548-R552 WeakPolarHBondContact O-CG 3.32Å; Y548-R552 PolarHBondContact O-N 3.2Å
553	D	92.2	Very high	95	Very high	131 Å²	131	40.8 Å²	40.8	70%	0.701	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-20.9	-171.1	-60.4	-31.6	0	0	0	112.9	Y551	Y551-D553 VanDerWaalsContact C-N 3.3Å; Y551-D553 PolarHBondContact O-N 3.05Å; Y551-D553 VanDerWaalsContact O-N 3.11Å
554	C	90.8	Very high	94.9	Very high	59 Å²	59	39.2 Å²	39.2	40%	0.399	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	9.7	-175.7	-59.4	0	0	0	0	112.9	T513 P522 Y551	T513-C554 WeakPolarHBondContact CB-O 3.3Å; T513-C554 PolarHBondContact OG1-O 2.72Å; P522-C554 HydrophobicContact CG-CB 3.67Å; P522-C554 VanDerWaalsContact CG-SG 3.55Å; Y551-C554 PolarHBondContact O-N 2.76Å
555	L	94.1	Very high	94.9	Very high	20 Å²	20	39 Å²	39	11%	0.105	20%	0.196	C	C	.	.			trans	-72.9	133.1	172.6	-168.3	73.5	0	0	0	108.8	M485 T513 Y551 I561 L584	M485-L555 HydrophobicContact CE-CD2 3.6Å; M485-L555 HydrophobicContact SD-CD2 3.33Å; M485-L555 WeakPolarHBondContact SD-CD2 3.26Å; T513-L555 HydrophobicContact CG2-CB 4.43Å; T513-L555 HydrophobicContact CG2-CD1 4.17Å; Y551-L555 HydrophobicContact CD2-CB 4.27Å; Y551-L555 HydrophobicContact CD2-CD1 4.36Å; Y551-L555 HydrophobicContact CD2-CD2 3.98Å; Y551-L555 HydrophobicContact CD2-CG 4.44Å; Y551-L555 HydrophobicContact CE2-CD2 4.13Å; Y551-L555 WeakPolarHBondContact O-CB 3.18Å; Y551-L555 PolarHBondContact O-N 3.34Å; L555-I561 HydrophobicContact CD1-CD1 4.23Å; L555-I561 HydrophobicContact CD1-CG1 3.81Å; L555-L584 HydrophobicContact CD1-CD1 4.28Å; L555-L584 HydrophobicContact CD2-CD1 3.97Å
556	T	92.3	Very high	95	Very high	14 Å²	14	36.1 Å²	36.1	9%	0.086	18%	0.176	C	C	.	.			trans	-79.7	162.4	175.3	65.2	0	0	0	0	110.5	V514 S558 N559	V514-T556 PolarHBondContact O-OG1 3.07Å; T556-S558 PolarHBondContact O-N 3.1Å; T556-S558 VanDerWaalsContact O-N 3.11Å; T556-N559 PolarHBondContact O-N 2.9Å
557	E	90.4	Very high	95	Very high	25 Å²	25	36.2 Å²	36.2	12%	0.117	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-9.3	177.8	-57.5	86.4	166.4	0	0	113	N243 N250 M252 N559 K674	N243-E557 PolarHBondContact OD1-OE2 3.39Å; N250-E557 WeakPolarHBondContact ND2-CG 3.48Å; N250-E557 PolarHBondContact ND2-OE1 2.93Å; M252-E557 HydrophobicContact CB-CB 3.92Å; M252-E557 HydrophobicContact CG-CB 3.94Å; E557-N559 PolarHBondContact O-N 3.22Å; E557-K674 HydrophobicContact CG-CB 3.83Å; E557-K674 HydrophobicContact CG-CD 3.99Å; E557-K674 HydrophobicContact CG-CG 4.48Å
558	S	89.5	Confident	94.9	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.063	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-8.1	168.2	-53.8	0	0	0	0	113.2	T556 L560 Y583	T556-S558 PolarHBondContact O-N 3.1Å; T556-S558 VanDerWaalsContact O-N 3.11Å; S558-L560 VanDerWaalsContact C-N 3.34Å; S558-L560 WeakPolarHBondContact O-CG 3.15Å; S558-L560 PolarHBondContact O-N 3.38Å; S558-Y583 WeakPolarHBondContact O-CD2 3.47Å; S558-Y583 WeakPolarHBondContact O-CE2 3.44Å
559	N	95.8	Very high	94.7	Very high	6 Å²	6	33 Å²	33	3%	0.032	16%	0.161	C	C	.	.			trans	56.4	40.6	-179.8	-68.9	-1.4	0	0	0	114.1	T556 E557 Y583 L584 N586	T556-N559 PolarHBondContact O-N 2.9Å; E557-N559 PolarHBondContact O-N 3.22Å; N559-Y583 HydrophobicContact CB-CD2 4.25Å; N559-Y583 HydrophobicContact CB-CE2 4.01Å; N559-Y583 WeakPolarHBondContact O-CA 3.15Å; N559-L584 HydrophobicContact CB-CB 4.1Å; N559-L584 VanDerWaalsContact CB-O 3.31Å; N559-L584 WeakPolarHBondContact CB-O 3.22Å; N559-L584 PolarHBondContact ND2-O 2.91Å; N559-L584 PolarHBondContact O-N 2.9Å; N559-N586 PolarHBondContact ND2-ND2 2.81Å; N559-N586 PolarHBondContact ND2-OD1 3.16Å
560	L	96.6	Very high	94.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.1	-174.8	-64.5	166.1	0	0	0	112.9	N333 V514 S558 L582 Y583	N333-L560 HydrophobicContact CB-CD1 4.26Å; V514-L560 HydrophobicContact CG1-CB 3.62Å; V514-L560 PolarHBondContact N-O 3.2Å; V514-L560 WeakPolarHBondContact O-CB 3.44Å; S558-L560 VanDerWaalsContact C-N 3.34Å; S558-L560 WeakPolarHBondContact O-CG 3.15Å; S558-L560 PolarHBondContact O-N 3.38Å; L560-L582 VanDerWaalsContact CA-O 3.3Å; L560-L582 WeakPolarHBondContact CA-O 3.41Å; L560-L582 WeakPolarHBondContact CD2-O 3.33Å; L560-Y583 HydrophobicContact CD2-CD2 4.31Å
561	I	97.1	Very high	93.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.5	170.3	-66.9	178.3	0	0	0	108.3	F489 A511 R512 T513 I546 Y551 L555 V563 L582 L584	F489-I561 HydrophobicContact CZ-CD1 4.17Å; A511-I561 HydrophobicContact CB-CG2 4.18Å; R512-I561 CarbonylContact O-C 3.57Å; R512-I561 WeakPolarHBondContact O-CA 3.32Å; T513-I561 HydrophobicContact CG2-CG1 4.48Å; I546-I561 HydrophobicContact CD1-CG2 4.34Å; I546-I561 HydrophobicContact CG2-CD1 4.09Å; Y551-I561 HydrophobicContact CD1-CD1 3.97Å; Y551-I561 HydrophobicContact CG-CD1 3.93Å; L555-I561 HydrophobicContact CD1-CD1 4.23Å; L555-I561 HydrophobicContact CD1-CG1 3.81Å; I561-V563 HydrophobicContact CG2-CG2 4.45Å; I561-L582 HydrophobicContact CB-CB 4.48Å; I561-L582 HydrophobicContact CG2-CD1 4.49Å; I561-L582 PolarHBondContact N-O 2.87Å; I561-L582 WeakPolarHBondContact O-CB 3.24Å; I561-L582 PolarHBondContact O-N 3.43Å; I561-L584 HydrophobicContact CD1-CD1 3.93Å; I561-L584 HydrophobicContact CD1-CD2 4.46Å; I561-L584 HydrophobicContact CD1-CG 4.43Å
562	K	96.3	Very high	93.3	Very high	32 Å²	32	34.7 Å²	34.7	14%	0.139	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.7	174.8	-169.3	173.7	-91.7	67.4	0	109.4	N333 A511 R512 V514 L520 D581	N333-K562 PolarHBondContact OD1-NZ 3Å; N333-K562 VanDerWaalsContact OD1-NZ 3.12Å; A511-K562 WeakPolarHBondContact CA-O 3.11Å; R512-K562 PolarHBondContact N-O 3.05Å; R512-K562 PolarHBondContact O-N 3.25Å; V514-K562 HydrophobicContact CB-CB 4.16Å; V514-K562 HydrophobicContact CG1-CB 3.99Å; L520-K562 HydrophobicContact CD2-CB 4.46Å; L520-K562 HydrophobicContact CD2-CD 4.06Å; K562-D581 WeakPolarHBondContact CB-OD1 3.37Å; K562-D581 WeakPolarHBondContact CE-OD1 3.42Å; K562-D581 WeakPolarHBondContact CG-OD1 3.36Å; K562-D581 IonicContact NZ-OD1 3.37Å; K562-D581 PolarHBondContact NZ-OD1 2.82Å; K562-D581 IonicContact NZ-OD2 3.39Å; K562-D581 PolarHBondContact NZ-OD2 3.15Å
563	V	96.8	Very high	92.9	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.5	173.2	-177.5	0	0	0	0	109	I477 V491 A511 L544 I546 I561 E579 R580 L582	I477-V563 HydrophobicContact CD1-CG1 4.09Å; I477-V563 HydrophobicContact CG1-CG1 4.35Å; I477-V563 HydrophobicContact CG2-CB 4.22Å; I477-V563 HydrophobicContact CG2-CG1 4.02Å; V491-V563 HydrophobicContact CG2-CG1 4.12Å; V491-V563 HydrophobicContact CG2-CG2 4.1Å; A511-V563 HydrophobicContact CB-CG2 4.1Å; L544-V563 HydrophobicContact CD2-CG1 4.48Å; I546-V563 HydrophobicContact CD1-CG2 4.14Å; I561-V563 HydrophobicContact CG2-CG2 4.45Å; V563-E579 CarbonylContact O-C 3.51Å; V563-E579 VanDerWaalsContact O-CA 3.31Å; V563-E579 WeakPolarHBondContact O-CA 3.49Å; V563-R580 PolarHBondContact N-O 2.67Å; V563-R580 PolarHBondContact O-N 3.23Å; V563-L582 HydrophobicContact CG2-CD1 3.6Å; V563-L582 HydrophobicContact CG2-CG 4.01Å
564	R	96	Very high	92.7	Very high	19 Å²	19	29 Å²	29	7%	0.072	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	133.6	-177.5	-172.9	172	60.4	65	2.4	110	F320 G321 L509 C510 L577 A578 E579	F320-R564 PolarHBondContact O-NH1 2.72Å; F320-R564 PolarHBondContact O-NH2 2.65Å; G321-R564 VanDerWaalsContact C-CZ 3.43Å; G321-R564 VanDerWaalsContact CA-NH1 3.26Å; G321-R564 VanDerWaalsContact O-CD 3.31Å; G321-R564 WeakPolarHBondContact O-CD 3.38Å; G321-R564 PolarHBondContact O-NE 3.37Å; G321-R564 PolarHBondContact O-NH1 2.92Å; L509-R564 WeakPolarHBondContact CA-O 3.33Å; C510-R564 PolarHBondContact N-O 3.15Å; C510-R564 PolarHBondContact O-N 3.05Å; R564-L577 HydrophobicContact CG-CD1 4.01Å; R564-A578 CarbonylContact C-O 3.39Å; R564-A578 WeakPolarHBondContact CA-O 3.41Å; R564-E579 HydrophobicContact CB-CG 4.14Å; R564-E579 WeakPolarHBondContact CD-OE1 3.18Å; R564-E579 HydrophobicContact CG-CG 3.75Å
565	A	97.1	Very high	92.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.4	174.2	0	0	0	0	0	109.8	M475 I477 A493 L507 L508 L509 A578	M475-A565 HydrophobicContact CE-CB 3.58Å; M475-A565 WeakPolarHBondContact CE-O 3.45Å; M475-A565 HydrophobicContact SD-CB 3.67Å; I477-A565 HydrophobicContact CD1-CB 3.65Å; A493-A565 HydrophobicContact CB-CB 4.13Å; L507-A565 HydrophobicContact CD1-CB 4.37Å; L508-A565 CarbonylContact O-C 3.56Å; L508-A565 VanDerWaalsContact O-CA 3.25Å; L508-A565 WeakPolarHBondContact O-CA 3.44Å; L509-A565 HydrophobicContact CD2-CB 3.35Å; A565-A578 HydrophobicContact CB-CB 4.43Å; A565-A578 PolarHBondContact N-O 3.38Å; A565-A578 PolarHBondContact O-N 2.69Å
566	L	96.8	Very high	92.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.7	169.8	-179.8	64.4	0	0	0	108.9	E319 I405 L507 L508 V568 Y575 L577	E319-L566 WeakPolarHBondContact O-CD2 3.11Å; I405-L566 HydrophobicContact CD1-CD1 4.25Å; I405-L566 HydrophobicContact CD1-CD2 4.5Å; L507-L566 WeakPolarHBondContact CA-O 3.25Å; L508-L566 HydrophobicContact CB-CB 4.4Å; L508-L566 HydrophobicContact CD1-CD2 4.19Å; L508-L566 PolarHBondContact N-O 3.12Å; L508-L566 PolarHBondContact O-N 3.46Å; L566-V568 HydrophobicContact CD2-CG2 4.21Å; L566-V568 HydrophobicContact CG-CG2 4.02Å; L566-Y575 HydrophobicContact CD1-CD1 4.34Å; L566-L577 HydrophobicContact CB-CD1 4.47Å; L566-L577 HydrophobicContact CD1-CD1 4.34Å
567	L	96.2	Very high	92.9	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.4	173.6	-177.3	71.2	0	0	0	108.4	M475 I495 C505 R506 L507 L532 L534 L576	M475-L567 HydrophobicContact CE-CB 3.82Å; M475-L567 HydrophobicContact SD-CB 3.93Å; I495-L567 HydrophobicContact CD1-CD1 4.06Å; I495-L567 HydrophobicContact CD1-CD2 4.28Å; I495-L567 HydrophobicContact CG1-CD2 4.35Å; I495-L567 HydrophobicContact CG2-CD2 3.8Å; C505-L567 HydrophobicContact CB-CD1 3.48Å; C505-L567 VanDerWaalsContact CB-CD1 3.48Å; C505-L567 HydrophobicContact CB-CG 4.18Å; R506-L567 CarbonylContact O-C 3.58Å; R506-L567 WeakPolarHBondContact O-CA 3.31Å; L507-L567 HydrophobicContact CB-CD1 4.15Å; L507-L567 HydrophobicContact CD1-CB 4.3Å; L507-L567 HydrophobicContact CD1-CD1 4.24Å; L532-L567 HydrophobicContact CD2-CD1 4.29Å; L534-L567 HydrophobicContact CD1-CD2 4.15Å; L567-L576 HydrophobicContact CB-CB 4.16Å; L567-L576 HydrophobicContact CD2-CD1 4.15Å; L567-L576 PolarHBondContact N-O 2.87Å; L567-L576 PolarHBondContact O-N 2.84Å
568	V	94.6	Very high	93.1	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.1	-180	-172.4	0	0	0	0	109.3	C505 R506 L566 S574 Y575	C505-V568 VanDerWaalsContact CA-O 3.31Å; C505-V568 WeakPolarHBondContact CA-O 3.49Å; C505-V568 WeakPolarHBondContact CB-O 3.38Å; R506-V568 HydrophobicContact CB-CB 4.28Å; R506-V568 PolarHBondContact N-O 2.82Å; R506-V568 PolarHBondContact O-N 3Å; L566-V568 HydrophobicContact CD2-CG2 4.21Å; L566-V568 HydrophobicContact CG-CG2 4.02Å; V568-S574 WeakPolarHBondContact CA-O 3.46Å; V568-Y575 HydrophobicContact CB-CD1 4.48Å; V568-Y575 HydrophobicContact CB-CE1 4.33Å; V568-Y575 HydrophobicContact CG1-CD1 4.13Å; V568-Y575 HydrophobicContact CG1-CE1 3.63Å; V568-Y575 HydrophobicContact CG2-CD1 3.8Å; V568-Y575 HydrophobicContact CG2-CE1 3.8Å
569	E	92.1	Very high	93.4	Very high	6 Å²	6	25 Å²	25	3%	0.028	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	111.8	168.5	-160	-60.7	120.1	0	0	107.9	M473 Y503 V571 I572 N573 S574	M473-E569 HydrophobicContact CE-CB 4.02Å; M473-E569 HydrophobicContact CE-CG 3.91Å; Y503-E569 HydrophobicContact CD1-CG 3.6Å; Y503-E569 HydrophobicContact CE1-CG 4.12Å; Y503-E569 HydrophobicContact CG-CG 4.21Å; E569-V571 VanDerWaalsContact CD-N 3.32Å; E569-V571 VanDerWaalsContact OE1-CB 3.32Å; E569-V571 WeakPolarHBondContact OE1-CB 3.47Å; E569-V571 WeakPolarHBondContact OE1-CG2 3.39Å; E569-V571 PolarHBondContact OE1-N 2.87Å; E569-V571 WeakPolarHBondContact OE2-CA 3.17Å; E569-V571 PolarHBondContact OE2-N 3.47Å; E569-I572 HydrophobicContact CG-CG1 4.49Å; E569-I572 WeakPolarHBondContact OE2-CG1 3.36Å; E569-I572 PolarHBondContact OE2-N 3.18Å; E569-N573 CarbonylContact O-C 3.27Å; E569-N573 VanDerWaalsContact O-CA 3.27Å; E569-N573 WeakPolarHBondContact O-CA 3.1Å; E569-N573 PolarHBondContact O-N 3.23Å; E569-N573 VanDerWaalsContact O-N 3.15Å; E569-S574 PolarHBondContact N-O 3.28Å; E569-S574 PolarHBondContact O-N 3.05Å
570	P	88.1	Confident	93.3	Very high	75 Å²	75	27.3 Å²	27.3	49%	0.487	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-22.5	-169.9	30	-35.8	0	0	0	114.6	V504	V504-P570 WeakPolarHBondContact O-CD 3.09Å
571	V	86.8	Confident	93.2	Very high	126 Å²	126	28.3 Å²	28.3	76%	0.764	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-46.5	-174	177.9	0	0	0	0	111.8	E569	E569-V571 VanDerWaalsContact CD-N 3.32Å; E569-V571 VanDerWaalsContact OE1-CB 3.32Å; E569-V571 WeakPolarHBondContact OE1-CB 3.47Å; E569-V571 WeakPolarHBondContact OE1-CG2 3.39Å; E569-V571 PolarHBondContact OE1-N 2.87Å; E569-V571 WeakPolarHBondContact OE2-CA 3.17Å; E569-V571 PolarHBondContact OE2-N 3.47Å
572	I	84.8	Confident	93.2	Very high	118 Å²	118	28.4 Å²	28.4	61%	0.605	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	6.4	175.9	58.7	156.7	0	0	0	112.4	E569 S574	E569-I572 HydrophobicContact CG-CG1 4.49Å; E569-I572 WeakPolarHBondContact OE2-CG1 3.36Å; E569-I572 PolarHBondContact OE2-N 3.18Å; I572-S574 VanDerWaalsContact C-N 3.31Å; I572-S574 PolarHBondContact O-N 3.17Å
573	N	85.8	Confident	93.2	Very high	75 Å²	75	28 Å²	28	40%	0.401	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	47.3	-179.3	-163.9	40.3	0	0	0	112.4	E569 Y575	E569-N573 CarbonylContact O-C 3.27Å; E569-N573 VanDerWaalsContact O-CA 3.27Å; E569-N573 WeakPolarHBondContact O-CA 3.1Å; E569-N573 PolarHBondContact O-N 3.23Å; E569-N573 VanDerWaalsContact O-N 3.15Å; N573-Y575 WeakPolarHBondContact O-CD2 3.27Å; N573-Y575 WeakPolarHBondContact O-CE2 3.31Å; N573-Y575 WeakPolarHBondContact OD1-CE2 3.39Å; N573-Y575 PolarHBondContact OD1-OH 2.72Å
574	S	89.6	Confident	93.1	Very high	19 Å²	19	27.9 Å²	27.9	13%	0.133	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	140.2	-176.7	-174.6	0	0	0	0	111.9	V568 E569 I572	V568-S574 WeakPolarHBondContact CA-O 3.46Å; E569-S574 PolarHBondContact N-O 3.28Å; E569-S574 PolarHBondContact O-N 3.05Å; I572-S574 VanDerWaalsContact C-N 3.31Å; I572-S574 PolarHBondContact O-N 3.17Å
575	Y	92.4	Very high	93.1	Very high	5 Å²	5	30 Å²	30	2%	0.02	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.3	-176.8	-61.9	-91.1	0	0	0	110.5	I405 Q407 S415 I416 L566 V568 N573	I405-Y575 HydrophobicContact CB-CD1 4.02Å; I405-Y575 HydrophobicContact CB-CE1 4.31Å; I405-Y575 HydrophobicContact CB-CG 4.26Å; I405-Y575 HydrophobicContact CG1-CD1 3.81Å; I405-Y575 HydrophobicContact CG1-CG 3.9Å; I405-Y575 HydrophobicContact CG2-CD1 3.89Å; I405-Y575 HydrophobicContact CG2-CE1 3.85Å; Q407-Y575 VanDerWaalsContact CD-OH 3.29Å; Q407-Y575 PolarHBondContact NE2-OH 3.12Å; Q407-Y575 PolarHBondContact OE1-OH 2.96Å; S415-Y575 WeakPolarHBondContact CA-O 3.45Å; S415-Y575 WeakPolarHBondContact CB-O 3.49Å; I416-Y575 PolarHBondContact N-O 3.47Å; L566-Y575 HydrophobicContact CD1-CD1 4.34Å; V568-Y575 HydrophobicContact CB-CD1 4.48Å; V568-Y575 HydrophobicContact CB-CE1 4.33Å; V568-Y575 HydrophobicContact CG1-CD1 4.13Å; V568-Y575 HydrophobicContact CG1-CE1 3.63Å; V568-Y575 HydrophobicContact CG2-CD1 3.8Å; V568-Y575 HydrophobicContact CG2-CE1 3.8Å; N573-Y575 WeakPolarHBondContact O-CD2 3.27Å; N573-Y575 WeakPolarHBondContact O-CE2 3.31Å; N573-Y575 WeakPolarHBondContact OD1-CE2 3.39Å; N573-Y575 PolarHBondContact OD1-OH 2.72Å
576	L	93.9	Very high	93.1	Very high	7 Å²	7	31.1 Å²	31.1	4%	0.037	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.1	173.8	-76.2	167	0	0	0	109.7	I416 M473 M475 L567	I416-L576 HydrophobicContact CB-CD2 3.78Å; I416-L576 HydrophobicContact CD1-CD2 4.47Å; I416-L576 HydrophobicContact CG2-CD2 3.89Å; M473-L576 HydrophobicContact CB-CD1 3.57Å; M475-L576 WeakPolarHBondContact CE-O 3.15Å; L567-L576 HydrophobicContact CB-CB 4.16Å; L567-L576 HydrophobicContact CD2-CD1 4.15Å; L567-L576 PolarHBondContact N-O 2.87Å; L567-L576 PolarHBondContact O-N 2.84Å
577	L	94.3	Very high	93	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.016	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.3	179.9	-173.8	69.2	0	0	0	110.1	D403 I416 N417 R564 L566 E579	D403-L577 HydrophobicContact CB-CD2 3.99Å; I416-L577 PolarHBondContact O-N 2.84Å; N417-L577 HydrophobicContact CB-CB 4.2Å; N417-L577 HydrophobicContact CB-CD2 4.37Å; R564-L577 HydrophobicContact CG-CD1 4.01Å; L566-L577 HydrophobicContact CB-CD1 4.47Å; L566-L577 HydrophobicContact CD1-CD1 4.34Å; L577-E579 HydrophobicContact CG-CG 4.42Å
578	A	95.3	Very high	93.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	126	169.9	0	0	0	0	0	110.4	S419 M475 I477 R564 A565	S419-A578 WeakPolarHBondContact OG-CA 3.28Å; M475-A578 HydrophobicContact CB-CB 4.35Å; M475-A578 HydrophobicContact CE-CB 3.91Å; M475-A578 HydrophobicContact CG-CB 4Å; I477-A578 HydrophobicContact CD1-CB 4.34Å; I477-A578 HydrophobicContact CG1-CB 4.3Å; R564-A578 CarbonylContact C-O 3.39Å; R564-A578 WeakPolarHBondContact CA-O 3.41Å; A565-A578 HydrophobicContact CB-CB 4.43Å; A565-A578 PolarHBondContact N-O 3.38Å; A565-A578 PolarHBondContact O-N 2.69Å
579	E	94.5	Very high	93.2	Very high	27 Å²	27	39.6 Å²	39.6	13%	0.126	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	144.6	178.1	-72.1	179.7	146.9	0	0	110	R317 S419 V563 R564 L577	R317-E579 IonicContact CZ-OE1 3.1Å; R317-E579 IonicContact CZ-OE2 2.75Å; R317-E579 IonicContact NH1-OE1 2.69Å; R317-E579 PolarHBondContact NH1-OE1 3.45Å; R317-E579 IonicContact NH1-OE2 2.74Å; R317-E579 IonicContact NH2-OE1 3.73Å; R317-E579 PolarHBondContact NH2-OE1 2.95Å; R317-E579 IonicContact NH2-OE2 2.91Å; R317-E579 PolarHBondContact NH2-OE2 3.11Å; R317-E579 VanDerWaalsContact NH2-OE2 3.1Å; S419-E579 WeakPolarHBondContact CB-O 3.38Å; S419-E579 PolarHBondContact OG-N 3.06Å; S419-E579 PolarHBondContact OG-O 2.91Å; V563-E579 CarbonylContact O-C 3.51Å; V563-E579 VanDerWaalsContact O-CA 3.31Å; V563-E579 WeakPolarHBondContact O-CA 3.49Å; R564-E579 HydrophobicContact CB-CG 4.14Å; R564-E579 WeakPolarHBondContact CD-OE1 3.18Å; R564-E579 HydrophobicContact CG-CG 3.75Å; L577-E579 HydrophobicContact CG-CG 4.42Å
580	R	95.1	Very high	93.5	Very high	56 Å²	56	44.5 Å²	44.5	21%	0.211	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	128.1	173.5	-177.6	176.8	175.9	166.7	-2	110.5	I477 V563 L582	I477-R580 HydrophobicContact CB-CB 3.66Å; I477-R580 HydrophobicContact CB-CG 4.48Å; I477-R580 HydrophobicContact CG1-CB 4.01Å; I477-R580 HydrophobicContact CG2-CB 4.01Å; I477-R580 WeakPolarHBondContact O-CD 3.41Å; I477-R580 PolarHBondContact O-NH1 3.43Å; V563-R580 PolarHBondContact N-O 2.67Å; V563-R580 PolarHBondContact O-N 3.23Å; R580-L582 HydrophobicContact CG-CD2 4.09Å
581	D	94.8	Very high	94.1	Very high	21 Å²	21	41.5 Å²	41.5	11%	0.112	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	133	167.3	-67.8	-63.7	0	0	0	111.1	N333 K562	N333-D581 WeakPolarHBondContact ND2-CB 3.45Å; N333-D581 PolarHBondContact ND2-OD1 2.73Å; N333-D581 PolarHBondContact ND2-OD2 3.37Å; N333-D581 PolarHBondContact OD1-OD2 3.32Å; K562-D581 WeakPolarHBondContact CB-OD1 3.37Å; K562-D581 WeakPolarHBondContact CE-OD1 3.42Å; K562-D581 WeakPolarHBondContact CG-OD1 3.36Å; K562-D581 IonicContact NZ-OD1 3.37Å; K562-D581 PolarHBondContact NZ-OD1 2.82Å; K562-D581 IonicContact NZ-OD2 3.39Å; K562-D581 PolarHBondContact NZ-OD2 3.15Å
582	L	95.7	Very high	94.6	Very high	2 Å²	2	42 Å²	42	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	137.6	176.9	-47.9	-178.4	0	0	0	108.5	V479 M483 F489 V491 I546 L560 I561 V563 R580	V479-L582 HydrophobicContact CG1-CD2 3.45Å; V479-L582 VanDerWaalsContact CG1-CD2 3.45Å; M483-L582 HydrophobicContact CE-CB 4.34Å; M483-L582 HydrophobicContact CE-CD2 4.26Å; M483-L582 HydrophobicContact SD-CD1 4.04Å; M483-L582 HydrophobicContact SD-CD2 4.36Å; F489-L582 HydrophobicContact CE2-CD1 3.74Å; F489-L582 HydrophobicContact CZ-CD1 4.27Å; V491-L582 HydrophobicContact CG1-CD1 3.68Å; I546-L582 HydrophobicContact CD1-CD1 4.34Å; L560-L582 VanDerWaalsContact CA-O 3.3Å; L560-L582 WeakPolarHBondContact CA-O 3.41Å; L560-L582 WeakPolarHBondContact CD2-O 3.33Å; I561-L582 HydrophobicContact CB-CB 4.48Å; I561-L582 HydrophobicContact CG2-CD1 4.49Å; I561-L582 PolarHBondContact N-O 2.87Å; I561-L582 WeakPolarHBondContact O-CB 3.24Å; I561-L582 PolarHBondContact O-N 3.43Å; V563-L582 HydrophobicContact CG2-CD1 3.6Å; V563-L582 HydrophobicContact CG2-CG 4.01Å; R580-L582 HydrophobicContact CG-CD2 4.09Å
583	Y	95.6	Very high	95.2	Very high	22 Å²	22	38.6 Å²	38.6	9%	0.086	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124	168.1	175.6	-95.8	0	0	0	108.8	F174 K176 S558 N559 L560 E585	F174-Y583 AromaticContact CD1-CD1 3.65Å; F174-Y583 HydrophobicContact CD1-CD1 3.65Å; F174-Y583 HydrophobicContact CD1-CG 4.31Å; F174-Y583 AromaticContact CE1-CD1 3.84Å; F174-Y583 HydrophobicContact CE1-CD1 3.84Å; F174-Y583 HydrophobicContact CE1-CE1 4.37Å; K176-Y583 HydrophobicContact CD-CD1 4.19Å; K176-Y583 HydrophobicContact CD-CE1 3.73Å; K176-Y583 HydrophobicContact CG-CD1 3.79Å; K176-Y583 HydrophobicContact CG-CE1 3.39Å; K176-Y583 HydrophobicContact CG-CE2 4.33Å; K176-Y583 HydrophobicContact CG-CG 4.38Å; S558-Y583 WeakPolarHBondContact O-CD2 3.47Å; S558-Y583 WeakPolarHBondContact O-CE2 3.44Å; N559-Y583 HydrophobicContact CB-CD2 4.25Å; N559-Y583 HydrophobicContact CB-CE2 4.01Å; N559-Y583 WeakPolarHBondContact O-CA 3.15Å; L560-Y583 HydrophobicContact CD2-CD2 4.31Å; Y583-E585 HydrophobicContact CE1-CB 4.42Å
584	L	96.3	Very high	95.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-83.9	119.4	173.2	-50.4	-173.9	0	0	0	109.5	M483 M485 F489 Y551 L555 N559 I561 N586	M483-L584 HydrophobicContact CB-CD2 4.08Å; M483-L584 CarbonylContact O-C 3.58Å; M483-L584 WeakPolarHBondContact O-CA 3.47Å; M485-L584 HydrophobicContact CB-CB 4.11Å; M485-L584 HydrophobicContact SD-CD1 4.31Å; F489-L584 HydrophobicContact CD1-CD2 4.36Å; F489-L584 HydrophobicContact CE1-CD1 4.32Å; F489-L584 HydrophobicContact CE1-CD2 3.46Å; F489-L584 VanDerWaalsContact CE1-CD2 3.46Å; F489-L584 HydrophobicContact CE2-CD2 4.41Å; F489-L584 HydrophobicContact CZ-CD2 3.5Å; F489-L584 VanDerWaalsContact CZ-CD2 3.5Å; Y551-L584 HydrophobicContact CD2-CD1 4.12Å; Y551-L584 HydrophobicContact CE1-CD1 4.25Å; Y551-L584 HydrophobicContact CE2-CD1 3.61Å; L555-L584 HydrophobicContact CD1-CD1 4.28Å; L555-L584 HydrophobicContact CD2-CD1 3.97Å; N559-L584 HydrophobicContact CB-CB 4.1Å; N559-L584 VanDerWaalsContact CB-O 3.31Å; N559-L584 WeakPolarHBondContact CB-O 3.22Å; N559-L584 PolarHBondContact ND2-O 2.91Å; N559-L584 PolarHBondContact O-N 2.9Å; I561-L584 HydrophobicContact CD1-CD1 3.93Å; I561-L584 HydrophobicContact CD1-CD2 4.46Å; I561-L584 HydrophobicContact CD1-CG 4.43Å; L584-N586 PolarHBondContact O-N 3.49Å
585	E	94.9	Very high	96.1	Very high	65 Å²	65	39.7 Å²	39.7	30%	0.304	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-71.3	123.4	-173.9	-173.5	151.9	-133.5	0	0	111.2	K176 M483 M485 Y583	K176-E585 IonicContact NZ-OE1 3.76Å; K176-E585 PolarHBondContact NZ-OE1 3.13Å; M483-E585 PolarHBondContact O-N 3.18Å; M485-E585 PolarHBondContact N-O 3.01Å; Y583-E585 HydrophobicContact CE1-CB 4.42Å
586	N	96.6	Very high	96.3	Very high	23 Å²	23	44.5 Å²	44.5	12%	0.123	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-67.3	151.2	171.1	-88	-25.5	0	0	0	110.9	N559 L584 V676	N559-N586 PolarHBondContact ND2-ND2 2.81Å; N559-N586 PolarHBondContact ND2-OD1 3.16Å; L584-N586 PolarHBondContact O-N 3.49Å; N586-V676 HydrophobicContact CB-CG1 4.14Å; N586-V676 HydrophobicContact CB-CG2 4.21Å
587	P	96.6	Very high	96.5	Very high	23 Å²	23	46.3 Å²	46.3	15%	0.149	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-59.7	146.9	172.9	27.9	-38.7	0	0	0	111.8	L609 P612 L673 V676	P587-L609 HydrophobicContact CB-CD1 3.79Å; P587-L609 HydrophobicContact CG-CD1 3.45Å; P587-L609 VanDerWaalsContact CG-CD1 3.45Å; P587-L609 HydrophobicContact CG-CG 4.35Å; P587-P612 HydrophobicContact CB-CB 4.42Å; P587-P612 HydrophobicContact CB-CG 4.16Å; P587-P612 HydrophobicContact CG-CG 3.78Å; P587-L673 HydrophobicContact CG-CD2 3.84Å; P587-V676 HydrophobicContact CG-CG1 4.34Å; P587-V676 HydrophobicContact CG-CG2 4.43Å; P587-V676 VanDerWaalsContact O-CG1 3.3Å; P587-V676 WeakPolarHBondContact O-CG1 3.42Å
588	E	96.6	Very high	96.7	Very high	148 Å²	148	49.4 Å²	49.4	69%	0.692	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-69.4	132.9	177.5	-174.6	-173.1	-171.2	0	0	111.2
589	I	98.4	Very high	96.8	Very high	11 Å²	11	51.6 Å²	51.6	6%	0.056	26%	0.255	C	S	.	.			trans	-87.3	115	164.9	-64.8	169.1	0	0	0	108.6	I591 V607 S608 L609 F622 V666 F668 V676	I589-I591 HydrophobicContact CG2-CD1 4.43Å; I589-I591 HydrophobicContact CG2-CG1 3.91Å; I589-V607 HydrophobicContact CG2-CB 4.36Å; I589-S608 CarbonylContact C-O 3.54Å; I589-S608 WeakPolarHBondContact CA-O 3.44Å; I589-L609 HydrophobicContact CG1-CD1 3.96Å; I589-F622 HydrophobicContact CD1-CE1 4.27Å; I589-F622 HydrophobicContact CG1-CE1 4.41Å; I589-F622 HydrophobicContact CG2-CE1 4.21Å; I589-V666 HydrophobicContact CD1-CG1 4.22Å; I589-V666 HydrophobicContact CG2-CG1 4.19Å; I589-F668 HydrophobicContact CD1-CB 4.03Å; I589-V676 HydrophobicContact CD1-CB 4.34Å; I589-V676 HydrophobicContact CD1-CG1 3.81Å; I589-V676 WeakPolarHBondContact CD1-O 3.42Å; I589-V676 HydrophobicContact CG1-CG1 3.88Å
590	K	98.6	Very high	96.8	Very high	109 Å²	109	57.3 Å²	57.3	47%	0.474	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	125.3	173.9	-66.7	176.4	-176.2	168.8	0	109.4	V607 S608	K590-V607 WeakPolarHBondContact O-CA 3.38Å; K590-S608 PolarHBondContact N-O 2.89Å; K590-S608 PolarHBondContact O-N 2.78Å
591	I	98.6	Very high	96.9	Very high	12 Å²	12	60 Å²	60	6%	0.062	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.6	-178.8	-54.2	170.9	0	0	0	109.4	I589 I593 E606 V607 L664 V666 F679 R680	I589-I591 HydrophobicContact CG2-CD1 4.43Å; I589-I591 HydrophobicContact CG2-CG1 3.91Å; I591-I593 HydrophobicContact CG2-CD1 4.43Å; I591-E606 WeakPolarHBondContact CA-O 3.22Å; I591-V607 HydrophobicContact CG1-CG1 4.19Å; I591-V607 HydrophobicContact CG2-CG1 4.31Å; I591-L664 HydrophobicContact CG2-CD2 4.23Å; I591-V666 HydrophobicContact CD1-CB 4.31Å; I591-V666 HydrophobicContact CD1-CG2 3.55Å; I591-V666 HydrophobicContact CG1-CG2 4.24Å; I591-F679 VanDerWaalsContact CD1-C 3.47Å; I591-R680 HydrophobicContact CB-CB 4.03Å; I591-R680 HydrophobicContact CD1-CB 4.08Å; I591-R680 HydrophobicContact CG2-CB 3.72Å; I591-R680 HydrophobicContact CG2-CG 4.18Å; I591-R680 PolarHBondContact O-NH1 3.39Å
592	R	98.4	Very high	97	Very high	137 Å²	137	65.1 Å²	65.1	52%	0.517	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.6	175	-56.1	-163.2	-70.3	179.1	-2.6	110.3	L594 E606	R592-L594 HydrophobicContact CB-CD2 4.29Å; R592-E606 HydrophobicContact CB-CB 4.35Å; R592-E606 IonicContact CZ-OE1 3.93Å; R592-E606 PolarHBondContact N-O 2.75Å; R592-E606 IonicContact NE-OE1 3.62Å; R592-E606 PolarHBondContact NE-OE1 2.76Å; R592-E606 IonicContact NH2-OE1 3.64Å; R592-E606 PolarHBondContact NH2-OE1 2.83Å; R592-E606 IonicContact NH2-OE2 2.76Å; R592-E606 PolarHBondContact O-N 2.75Å
593	I	98.3	Very high	97.1	Very high	45 Å²	45	65.1 Å²	65.1	23%	0.231	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120	173.1	-56.9	-56.1	0	0	0	108	I591 L603 A605 L664 R680 V682	I591-I593 HydrophobicContact CG2-CD1 4.43Å; I593-L603 HydrophobicContact CG2-CD1 3.53Å; I593-L603 HydrophobicContact CG2-CD2 3.81Å; I593-L603 HydrophobicContact CG2-CG 3.82Å; I593-A605 HydrophobicContact CD1-CB 4.28Å; I593-L664 HydrophobicContact CD1-CD2 4.39Å; I593-R680 HydrophobicContact CG1-CG 4.35Å; I593-V682 HydrophobicContact CD1-CG2 3.89Å; I593-V682 HydrophobicContact CG1-CG2 4.01Å
594	L	97.8	Very high	97.3	Very high	58 Å²	58	65.4 Å²	65.4	30%	0.304	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.8	-179	-46.5	177	0	0	0	109.5	R592 V604 E606	R592-L594 HydrophobicContact CB-CD2 4.29Å; L594-V604 HydrophobicContact CB-CB 4.18Å; L594-V604 HydrophobicContact CD1-CG1 4.34Å; L594-V604 PolarHBondContact N-O 3.35Å; L594-V604 PolarHBondContact O-N 2.83Å; L594-V604 VanDerWaalsContact O-N 3.15Å; L594-E606 HydrophobicContact CD1-CB 4.11Å; L594-E606 HydrophobicContact CG-CB 4.45Å
595	G	96.1	Very high	97.4	Very high	59 Å²	59	65.4 Å²	65.4	61%	0.608	32%	0.315	S	S	*	.	S	Bend	trans	99.7	171.6	-171.5	0	0	0	0	0	112.5
596	E	96.8	Very high	97.5	Very high	107 Å²	107	62.5 Å²	62.5	50%	0.5	30%	0.302	S	S	.	.			trans	-85.3	121.2	177.2	-67.3	174.5	172.6	0	0	109.9	K598 R601	E596-K598 PolarHBondContact O-N 2.92Å; E596-K598 IonicContact OE2-NZ 3.59Å; E596-R601 IonicContact OE2-CZ 3.81Å; E596-R601 IonicContact OE2-NH1 2.78Å; E596-R601 PolarHBondContact OE2-NH1 3.01Å
597	P	97.6	Very high	97.6	Very high	44 Å²	44	61.4 Å²	61.4	29%	0.286	30%	0.296	S	S	.	.			trans	-71.9	98.8	180	28.2	-33	0	0	0	110.9	L603 V682 I683 I684 G685	P597-L603 HydrophobicContact CB-CD1 4.29Å; P597-L603 HydrophobicContact CB-CD2 4.14Å; P597-V682 HydrophobicContact CB-CG1 4.08Å; P597-I683 WeakPolarHBondContact CB-O 3.45Å; P597-I683 WeakPolarHBondContact CG-O 3.27Å; P597-I684 HydrophobicContact CB-CD1 3.75Å; P597-G685 PolarHBondContact O-N 3.49Å
598	K	97.8	Very high	97.7	Very high	69 Å²	69	60.6 Å²	60.6	30%	0.3	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-130.5	150.2	177.4	-66.7	-171.7	179.3	-172.1	0	111.4	E596 R601 G685	E596-K598 PolarHBondContact O-N 2.92Å; E596-K598 IonicContact OE2-NZ 3.59Å; K598-R601 HydrophobicContact CB-CB 4.13Å; K598-R601 WeakPolarHBondContact O-CB 3.39Å; K598-R601 PolarHBondContact O-N 2.68Å; K598-G685 WeakPolarHBondContact CA-O 3.32Å
599	Q	97.6	Very high	97.8	Very high	45 Å²	45	53.6 Å²	53.6	21%	0.21	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	137.1	178.9	-157	-168.1	13.4	0	0	111	R601 L657 M659 I684 G685	Q599-R601 PolarHBondContact O-N 3.05Å; Q599-R601 VanDerWaalsContact O-N 3.1Å; Q599-L657 VanDerWaalsContact CG-O 3.25Å; Q599-L657 WeakPolarHBondContact CG-O 3.3Å; Q599-L657 PolarHBondContact NE2-O 2.94Å; Q599-M659 HydrophobicContact CB-CG 3.99Å; Q599-M659 HydrophobicContact CG-CG 4.04Å; Q599-I684 HydrophobicContact CB-CG2 4.24Å; Q599-I684 VanDerWaalsContact N-CG2 3.35Å; Q599-G685 PolarHBondContact N-O 2.76Å
600	K	95.8	Very high	97.8	Very high	147 Å²	147	58.7 Å²	58.7	64%	0.639	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	21.3	179.5	-58.2	174.5	-175.5	179.1	0	114.1	P656 L657	K600-P656 PolarHBondContact N-O 3.32Å; K600-L657 HydrophobicContact CG-CD2 4.13Å
601	R	96.8	Very high	97.7	Very high	113 Å²	113	53.7 Å²	53.7	43%	0.426	26%	0.26	S	S	.	.	S	Bend	trans	-112.7	138.6	175.4	-170.3	176.4	-179.5	-175.8	-1.8	110.3	E596 K598 Q599 L603 P656	E596-R601 IonicContact OE2-CZ 3.81Å; E596-R601 IonicContact OE2-NH1 2.78Å; E596-R601 PolarHBondContact OE2-NH1 3.01Å; K598-R601 HydrophobicContact CB-CB 4.13Å; K598-R601 WeakPolarHBondContact O-CB 3.39Å; K598-R601 PolarHBondContact O-N 2.68Å; Q599-R601 PolarHBondContact O-N 3.05Å; Q599-R601 VanDerWaalsContact O-N 3.1Å; R601-L603 PolarHBondContact O-N 3.45Å; R601-P656 WeakPolarHBondContact O-CD 3.47Å
602	K	96.9	Very high	97.6	Very high	129 Å²	129	55.4 Å²	55.4	56%	0.561	27%	0.272	S	S	*	.			trans	-57.6	129.1	174.8	-172.6	176.6	-177.4	175.6	0	110.4	D653	K602-D653 WeakPolarHBondContact CE-OD1 3.47Å; K602-D653 WeakPolarHBondContact CE-OD2 3.42Å; K602-D653 IonicContact NZ-OD1 3.32Å; K602-D653 PolarHBondContact NZ-OD1 3.08Å; K602-D653 IonicContact NZ-OD2 2.7Å; K602-D653 PolarHBondContact NZ-OD2 3.13Å
603	L	97.8	Very high	97.5	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.5	177.2	-170.2	65.1	0	0	0	108.6	I593 P597 R601 L654 P656 V682 I684	I593-L603 HydrophobicContact CG2-CD1 3.53Å; I593-L603 HydrophobicContact CG2-CD2 3.81Å; I593-L603 HydrophobicContact CG2-CG 3.82Å; P597-L603 HydrophobicContact CB-CD1 4.29Å; P597-L603 HydrophobicContact CB-CD2 4.14Å; R601-L603 PolarHBondContact O-N 3.45Å; L603-L654 HydrophobicContact CB-CB 4.38Å; L603-L654 PolarHBondContact N-O 3.06Å; L603-L654 PolarHBondContact O-N 2.83Å; L603-P656 HydrophobicContact CB-CG 4.25Å; L603-P656 HydrophobicContact CD2-CG 4.03Å; L603-V682 HydrophobicContact CD2-CG1 4.2Å; L603-I684 HydrophobicContact CD2-CD1 4.32Å
604	V	98.4	Very high	97.4	Very high	29 Å²	29	50.9 Å²	50.9	18%	0.176	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.7	178	-177.2	0	0	0	0	109.5	L594 R651 M652 D653	L594-V604 HydrophobicContact CB-CB 4.18Å; L594-V604 HydrophobicContact CD1-CG1 4.34Å; L594-V604 PolarHBondContact N-O 3.35Å; L594-V604 PolarHBondContact O-N 2.83Å; L594-V604 VanDerWaalsContact O-N 3.15Å; V604-R651 HydrophobicContact CG1-CB 3.92Å; V604-R651 HydrophobicContact CG1-CG 4.18Å; V604-M652 WeakPolarHBondContact CA-O 3.45Å; V604-D653 WeakPolarHBondContact CG2-OD1 3.4Å
605	A	98.4	Very high	97.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.1	168.3	0	0	0	0	0	108.9	I593 R651 M652 L654 L664	I593-A605 HydrophobicContact CD1-CB 4.28Å; A605-R651 WeakPolarHBondContact O-CA 3.11Å; A605-M652 PolarHBondContact N-O 3.12Å; A605-M652 PolarHBondContact O-N 2.92Å; A605-L654 HydrophobicContact CB-CD1 3.87Å; A605-L654 HydrophobicContact CB-CG 4.38Å; A605-L664 HydrophobicContact CB-CD2 3.68Å
606	E	98.6	Very high	97.4	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.019	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.4	169.6	-169.3	-171.8	88.2	0	0	108.7	I591 R592 L594 K649 V650 R651	I591-E606 WeakPolarHBondContact CA-O 3.22Å; R592-E606 HydrophobicContact CB-CB 4.35Å; R592-E606 IonicContact CZ-OE1 3.93Å; R592-E606 PolarHBondContact N-O 2.75Å; R592-E606 IonicContact NE-OE1 3.62Å; R592-E606 PolarHBondContact NE-OE1 2.76Å; R592-E606 IonicContact NH2-OE1 3.64Å; R592-E606 PolarHBondContact NH2-OE1 2.83Å; R592-E606 IonicContact NH2-OE2 2.76Å; R592-E606 PolarHBondContact O-N 2.75Å; L594-E606 HydrophobicContact CD1-CB 4.11Å; L594-E606 HydrophobicContact CG-CB 4.45Å; E606-K649 HydrophobicContact CG-CD 4.14Å; E606-K649 HydrophobicContact CG-CG 3.9Å; E606-V650 WeakPolarHBondContact CA-O 3.45Å; E606-R651 HydrophobicContact CB-CG 4.05Å; E606-R651 HydrophobicContact CG-CG 3.81Å; E606-R651 IonicContact OE2-CZ 3.97Å; E606-R651 IonicContact OE2-NE 2.92Å; E606-R651 PolarHBondContact OE2-NE 3.43Å; E606-R651 IonicContact OE2-NH2 3.38Å; E606-R651 PolarHBondContact OE2-NH2 3.24Å
607	V	98.4	Very high	97.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.8	-178.6	-59.4	0	0	0	0	109.2	I589 K590 I591 F622 K649 V650 M652 V666	I589-V607 HydrophobicContact CG2-CB 4.36Å; K590-V607 WeakPolarHBondContact O-CA 3.38Å; I591-V607 HydrophobicContact CG1-CG1 4.19Å; I591-V607 HydrophobicContact CG2-CG1 4.31Å; V607-F622 HydrophobicContact CB-CD1 4.41Å; V607-F622 HydrophobicContact CB-CE1 4.3Å; V607-F622 HydrophobicContact CG2-CB 4.23Å; V607-F622 HydrophobicContact CG2-CD1 3.74Å; V607-F622 HydrophobicContact CG2-CD2 3.98Å; V607-F622 HydrophobicContact CG2-CE1 3.99Å; V607-F622 HydrophobicContact CG2-CE2 4.22Å; V607-F622 HydrophobicContact CG2-CG 3.73Å; V607-F622 HydrophobicContact CG2-CZ 4.23Å; V607-K649 WeakPolarHBondContact O-CA 3.34Å; V607-V650 HydrophobicContact CG2-CG2 3.43Å; V607-V650 VanDerWaalsContact CG2-CG2 3.43Å; V607-V650 PolarHBondContact N-O 2.97Å; V607-V650 PolarHBondContact O-N 2.92Å; V607-M652 HydrophobicContact CG2-CE 4.49Å; V607-V666 HydrophobicContact CB-CG1 4.47Å; V607-V666 HydrophobicContact CG1-CG1 4.25Å; V607-V666 HydrophobicContact CG1-CG2 4.06Å
608	S	98.3	Very high	97.5	Very high	6 Å²	6	45.9 Å²	45.9	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.9	177.5	74.3	0	0	0	0	113.7	I589 K590 E647 V648	I589-S608 CarbonylContact C-O 3.54Å; I589-S608 WeakPolarHBondContact CA-O 3.44Å; K590-S608 PolarHBondContact N-O 2.89Å; K590-S608 PolarHBondContact O-N 2.78Å; S608-E647 WeakPolarHBondContact CB-OE1 3.46Å; S608-E647 PolarHBondContact OG-OE1 2.94Å; S608-V648 CarbonylContact C-O 3.26Å; S608-V648 WeakPolarHBondContact CA-O 3.41Å; S608-V648 WeakPolarHBondContact CB-O 3.5Å
609	L	98.1	Very high	97.4	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	136.2	-175.5	169.6	101.4	0	0	0	108	P587 I589 F622 E647 V648 F668 L673 V676	P587-L609 HydrophobicContact CB-CD1 3.79Å; P587-L609 HydrophobicContact CG-CD1 3.45Å; P587-L609 VanDerWaalsContact CG-CD1 3.45Å; P587-L609 HydrophobicContact CG-CG 4.35Å; I589-L609 HydrophobicContact CG1-CD1 3.96Å; L609-F622 HydrophobicContact CB-CZ 4.02Å; L609-E647 CarbonylContact O-C 3.57Å; L609-E647 WeakPolarHBondContact O-CA 2.79Å; L609-E647 WeakPolarHBondContact O-CG 3.09Å; L609-V648 HydrophobicContact CB-CG1 3.84Å; L609-V648 HydrophobicContact CD2-CG1 3.93Å; L609-V648 HydrophobicContact CG-CG1 4.45Å; L609-V648 PolarHBondContact N-O 3.48Å; L609-V648 WeakPolarHBondContact O-CG1 3.42Å; L609-V648 PolarHBondContact O-N 3.25Å; L609-F668 HydrophobicContact CD2-CD1 3.6Å; L609-F668 HydrophobicContact CD2-CD2 4.09Å; L609-F668 HydrophobicContact CD2-CE1 3.48Å; L609-F668 VanDerWaalsContact CD2-CE1 3.48Å; L609-F668 HydrophobicContact CD2-CE2 3.97Å; L609-F668 HydrophobicContact CD2-CG 3.89Å; L609-F668 HydrophobicContact CD2-CZ 3.65Å; L609-L673 HydrophobicContact CD2-CD2 4.15Å; L609-V676 HydrophobicContact CD1-CG1 3.89Å
610	Q	98.1	Very high	97.5	Very high	117 Å²	117	43.3 Å²	43.3	55%	0.547	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.7	169.6	-171.2	172.3	19.7	0	0	110	P612 G645 E646	Q610-P612 VanDerWaalsContact O-CD 3.23Å; Q610-P612 WeakPolarHBondContact O-CD 3.48Å; Q610-G645 PolarHBondContact NE2-O 3.34Å; Q610-E646 WeakPolarHBondContact CA-O 3.15Å
611	N	97.9	Very high	97.6	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.027	21%	0.206	C	C	.	.			trans	-64.8	113.7	175.7	178.8	9.4	0	0	0	110.1	L613 V615 L617 V642 E643 G645 E646	N611-L613 VanDerWaalsContact C-N 3.34Å; N611-L613 WeakPolarHBondContact OD1-CB 3.4Å; N611-L613 PolarHBondContact OD1-N 3.31Å; N611-V615 PolarHBondContact ND2-O 2.86Å; N611-L617 HydrophobicContact CB-CD1 4.04Å; N611-L617 HydrophobicContact CB-CG 4.45Å; N611-V642 HydrophobicContact CB-CG1 4.17Å; N611-V642 PolarHBondContact ND2-O 3.08Å; N611-E643 PolarHBondContact ND2-O 3.02Å; N611-G645 PolarHBondContact O-N 2.96Å; N611-E646 PolarHBondContact N-O 3.36Å
612	P	96.1	Very high	97.7	Very high	48 Å²	48	32.2 Å²	32.2	31%	0.312	19%	0.186	S	C	.	.			trans	-84.7	-9.9	-179.5	37.8	-37.6	0	0	0	112.8	P587 Q610 L673	P587-P612 HydrophobicContact CB-CB 4.42Å; P587-P612 HydrophobicContact CB-CG 4.16Å; P587-P612 HydrophobicContact CG-CG 3.78Å; Q610-P612 VanDerWaalsContact O-CD 3.23Å; Q610-P612 WeakPolarHBondContact O-CD 3.48Å; P612-L673 HydrophobicContact CG-CD2 4.2Å
613	L	96.6	Very high	97.7	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.021	17%	0.166	C	C	.	.	S	Bend	trans	-85.4	153	-172.6	-53.9	-169.9	0	0	0	111.3	Y548 N611 V615 L617 K672 L673	Y548-L613 HydrophobicContact CE2-CD2 4.01Å; N611-L613 VanDerWaalsContact C-N 3.34Å; N611-L613 WeakPolarHBondContact OD1-CB 3.4Å; N611-L613 PolarHBondContact OD1-N 3.31Å; L613-V615 HydrophobicContact CB-CG2 4.09Å; L613-V615 HydrophobicContact CD1-CG2 4.34Å; L613-V615 PolarHBondContact O-N 3.41Å; L613-L617 HydrophobicContact CD1-CD2 3.58Å; L613-L617 HydrophobicContact CG-CD2 4.24Å; L613-K672 HydrophobicContact CD1-CB 3.77Å; L613-L673 HydrophobicContact CD1-CB 4.38Å
614	P	95.3	Very high	97.8	Very high	82 Å²	82	27 Å²	27	53%	0.532	17%	0.165	S	C	.	.	S	Bend	trans	-74.5	4.4	172.3	32.1	-36.4	0	0	0	113.5	Y548	Y548-P614 HydrophobicContact CD1-CG 3.65Å; Y548-P614 HydrophobicContact CE1-CG 3.56Å
615	V	96.3	Very high	97.8	Very high	42 Å²	42	25.9 Å²	25.9	26%	0.255	16%	0.158	S	C	.	.	S	Bend	trans	-131.5	157.7	-176.5	-66.6	0	0	0	0	110.7	N611 L613 K672	N611-V615 PolarHBondContact ND2-O 2.86Å; L613-V615 HydrophobicContact CB-CG2 4.09Å; L613-V615 HydrophobicContact CD1-CG2 4.34Å; L613-V615 PolarHBondContact O-N 3.41Å; V615-K672 HydrophobicContact CG2-CD 3.59Å
616	A	97.4	Very high	97.7	Very high	17 Å²	17	25.9 Å²	25.9	14%	0.14	16%	0.158	C	C	.	.			trans	-66.1	147.3	177.2	0	0	0	0	0	112.7	V642 K672	A616-V642 CarbonylContact C-O 3.52Å; A616-V642 VanDerWaalsContact CA-O 3.26Å; A616-V642 WeakPolarHBondContact CA-O 3.34Å; A616-K672 PolarHBondContact O-NZ 3.21Å
617	L	98.2	Very high	97.7	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-99	133.5	171.4	-54.6	177.6	0	0	0	109.9	N611 L613 C620 P641 V642 F668 K672 L673	N611-L617 HydrophobicContact CB-CD1 4.04Å; N611-L617 HydrophobicContact CB-CG 4.45Å; L613-L617 HydrophobicContact CD1-CD2 3.58Å; L613-L617 HydrophobicContact CG-CD2 4.24Å; L617-C620 WeakPolarHBondContact CB-SG 3.2Å; L617-P641 CarbonylContact O-C 3.54Å; L617-P641 VanDerWaalsContact O-CA 3.31Å; L617-P641 WeakPolarHBondContact O-CA 3.4Å; L617-V642 HydrophobicContact CB-CB 4.33Å; L617-V642 PolarHBondContact N-O 2.71Å; L617-V642 PolarHBondContact O-N 3.44Å; L617-F668 HydrophobicContact CD1-CE1 4.12Å; L617-F668 HydrophobicContact CD1-CZ 4.12Å; L617-K672 HydrophobicContact CD2-CB 4.08Å; L617-L673 HydrophobicContact CD1-CB 4.3Å; L617-L673 HydrophobicContact CD1-CD2 4.1Å; L617-L673 HydrophobicContact CD2-CB 3.83Å
618	E	97.8	Very high	97.7	Very high	104 Å²	104	25.8 Å²	25.8	49%	0.486	16%	0.158	S	C	.	.			trans	-118.6	156.9	179.2	-65.2	176	-146.4	0	0	110.8	C620 P641 S670 D671	E618-C620 PolarHBondContact O-N 2.84Å; E618-P641 HydrophobicContact CG-CB 4.24Å; E618-P641 HydrophobicContact CG-CG 4.33Å; E618-S670 WeakPolarHBondContact O-CB 3.43Å; E618-D671 PolarHBondContact N-OD1 2.85Å; E618-D671 PolarHBondContact O-N 2.9Å
619	G	96.9	Very high	97.7	Very high	58 Å²	58	25.5 Å²	25.5	60%	0.598	16%	0.156	S	C	*	.	S	Bend	trans	59.5	33	179	0	0	0	0	0	113.3	T621	G619-T621 PolarHBondContact O-N 3.14Å; G619-T621 PolarHBondContact O-OG1 2.92Å
620	C	98.4	Very high	97.6	Very high	1 Å²	1	26 Å²	26	1%	0.007	16%	0.159	C	C	.	.			trans	-64.4	131.5	-174.6	-70.4	0	0	0	0	110.6	L617 E618 I638 V642 F668 E669	L617-C620 WeakPolarHBondContact CB-SG 3.2Å; E618-C620 PolarHBondContact O-N 2.84Å; C620-I638 HydrophobicContact CB-CB 3.96Å; C620-I638 HydrophobicContact CB-CD1 3.99Å; C620-I638 HydrophobicContact CB-CG1 4.43Å; C620-I638 WeakPolarHBondContact O-CD1 3.39Å; C620-I638 PolarHBondContact O-N 3.41Å; C620-V642 HydrophobicContact CB-CG2 4.48Å; C620-F668 HydrophobicContact CB-CE2 3.81Å; C620-F668 HydrophobicContact CB-CZ 3.85Å; C620-E669 CarbonylContact C-O 3.57Å; C620-E669 WeakPolarHBondContact CA-O 3.46Å
621	T	98.4	Very high	97.4	Very high	28 Å²	28	22.5 Å²	22.5	17%	0.172	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	128.1	-175.6	-57.1	0	0	0	0	110.1	G619 T635 V636 E637 F668 E669	G619-T621 PolarHBondContact O-N 3.14Å; G619-T621 PolarHBondContact O-OG1 2.92Å; T621-T635 HydrophobicContact CG2-CG2 3.3Å; T621-V636 WeakPolarHBondContact CA-O 3.48Å; T621-E637 HydrophobicContact CG2-CG 4.32Å; T621-F668 WeakPolarHBondContact O-CA 3.43Å; T621-E669 PolarHBondContact N-O 2.89Å; T621-E669 PolarHBondContact O-N 2.89Å
622	F	98.6	Very high	97.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.8	165.9	-80.8	-75.5	0	0	0	110.1	I589 V607 L609 T635 V636 I638 V648 V650 M652 V666 N667 F668	I589-F622 HydrophobicContact CD1-CE1 4.27Å; I589-F622 HydrophobicContact CG1-CE1 4.41Å; I589-F622 HydrophobicContact CG2-CE1 4.21Å; V607-F622 HydrophobicContact CB-CD1 4.41Å; V607-F622 HydrophobicContact CB-CE1 4.3Å; V607-F622 HydrophobicContact CG2-CB 4.23Å; V607-F622 HydrophobicContact CG2-CD1 3.74Å; V607-F622 HydrophobicContact CG2-CD2 3.98Å; V607-F622 HydrophobicContact CG2-CE1 3.99Å; V607-F622 HydrophobicContact CG2-CE2 4.22Å; V607-F622 HydrophobicContact CG2-CG 3.73Å; V607-F622 HydrophobicContact CG2-CZ 4.23Å; L609-F622 HydrophobicContact CB-CZ 4.02Å; F622-T635 CarbonylContact O-C 3.57Å; F622-T635 VanDerWaalsContact O-CA 3.29Å; F622-T635 WeakPolarHBondContact O-CA 3.37Å; F622-V636 PolarHBondContact N-O 3.1Å; F622-V636 PolarHBondContact O-N 3.34Å; F622-I638 HydrophobicContact CD2-CD1 3.96Å; F622-V648 HydrophobicContact CE2-CG1 3.89Å; F622-V648 HydrophobicContact CE2-CG2 4.09Å; F622-V648 HydrophobicContact CZ-CG1 4.1Å; F622-V650 HydrophobicContact CB-CG2 4.1Å; F622-V650 HydrophobicContact CD2-CG1 4.31Å; F622-V650 HydrophobicContact CD2-CG2 3.48Å; F622-V650 VanDerWaalsContact CD2-CG2 3.48Å; F622-V650 HydrophobicContact CE2-CG2 4.17Å; F622-V650 HydrophobicContact CG-CG2 4.03Å; F622-M652 HydrophobicContact CB-CE 3.39Å; F622-M652 WeakPolarHBondContact O-CE 3.19Å; F622-V666 HydrophobicContact CD1-CG1 3.76Å; F622-V666 HydrophobicContact CE1-CG1 4.25Å; F622-N667 CarbonylContact C-O 3.45Å; F622-N667 WeakPolarHBondContact CA-O 3.34Å; F622-F668 HydrophobicContact CD1-CB 3.89Å; F622-F668 AromaticContact CD1-CD2 3.96Å; F622-F668 HydrophobicContact CD1-CD2 3.96Å; F622-F668 HydrophobicContact CD1-CG 4.44Å; F622-F668 HydrophobicContact CD2-CD2 4Å; F622-F668 HydrophobicContact CE1-CB 3.7Å; F622-F668 AromaticContact CE1-CD2 3.69Å; F622-F668 HydrophobicContact CE1-CD2 3.69Å; F622-F668 HydrophobicContact CE1-CG 4.11Å; F622-F668 AromaticContact CE2-CD2 3.73Å; F622-F668 HydrophobicContact CE2-CD2 3.73Å; F622-F668 HydrophobicContact CE2-CE2 4.13Å; F622-F668 HydrophobicContact CG-CD2 4.11Å; F622-F668 HydrophobicContact CZ-CB 4.38Å; F622-F668 AromaticContact CZ-CD2 3.57Å; F622-F668 HydrophobicContact CZ-CD2 3.57Å; F622-F668 HydrophobicContact CZ-CE2 4.26Å; F622-F668 HydrophobicContact CZ-CG 4.32Å
623	T	98.7	Very high	97.2	Very high	21 Å²	21	29.7 Å²	29.7	13%	0.129	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.3	171.3	-57.3	0	0	0	0	109.1	I255 Q633 K634 V666 N667	I255-T623 HydrophobicContact CD1-CG2 3.99Å; T623-Q633 HydrophobicContact CG2-CG 3.49Å; T623-Q633 VanDerWaalsContact CG2-CG 3.49Å; T623-K634 CarbonylContact C-O 3.49Å; T623-K634 WeakPolarHBondContact CA-O 3.35Å; T623-V666 CarbonylContact O-C 3.53Å; T623-V666 WeakPolarHBondContact O-CA 3.37Å; T623-N667 PolarHBondContact N-O 3.44Å; T623-N667 PolarHBondContact O-N 2.83Å
624	V	98.4	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.2	-175.3	178.1	0	0	0	0	110.5	K634 M652 L664 V665 V666	V624-K634 PolarHBondContact N-O 2.85Å; V624-K634 PolarHBondContact O-N 3.28Å; V624-M652 HydrophobicContact CB-CE 4.43Å; V624-M652 HydrophobicContact CB-SD 3.61Å; V624-M652 HydrophobicContact CG2-CE 3.63Å; V624-M652 HydrophobicContact CG2-SD 3.27Å; V624-M652 WeakPolarHBondContact CG2-SD 3.43Å; V624-L664 HydrophobicContact CG1-CD1 3.33Å; V624-L664 HydrophobicContact CG1-CD2 4.08Å; V624-L664 HydrophobicContact CG1-CG 3.75Å; V624-V665 WeakPolarHBondContact CA-O 3.37Å; V624-V666 HydrophobicContact CG2-CB 4.39Å; V624-V666 HydrophobicContact CG2-CG1 3.98Å; V624-V666 HydrophobicContact CG2-CG2 4Å
625	E	98.1	Very high	97.4	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.019	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.1	-179.8	-165.3	177.2	130	0	0	110.5	N181 I255 Q633 V665	N181-E625 HydrophobicContact CB-CG 4.42Å; N181-E625 PolarHBondContact ND2-OE1 2.87Å; I255-E625 HydrophobicContact CD1-CB 3.63Å; I255-E625 HydrophobicContact CG1-CB 4.16Å; E625-Q633 HydrophobicContact CB-CG 4.39Å; E625-Q633 PolarHBondContact OE2-NE2 3.26Å; E625-V665 PolarHBondContact N-O 2.82Å; E625-V665 PolarHBondContact O-N 2.82Å
626	G	98.1	Very high	97.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.183	C	C	.	.			trans	175.3	112.1	171.7	0	0	0	0	0	111.9	G628 L629 T630	G626-G628 PolarHBondContact O-N 2.89Å; G626-L629 WeakPolarHBondContact O-CB 3.44Å; G626-L629 PolarHBondContact O-N 2.99Å; G626-T630 PolarHBondContact O-N 3.18Å; G626-T630 VanDerWaalsContact O-N 3.15Å
627	A	98.3	Very high	97.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	134.9	175	0	0	0	0	0	110.2	Q163 Q164 N181 E186 L629 H662	Q163-A627 HydrophobicContact CB-CB 4.07Å; Q164-A627 VanDerWaalsContact NE2-CB 3.3Å; Q164-A627 PolarHBondContact NE2-O 2.86Å; N181-A627 WeakPolarHBondContact OD1-CB 3.16Å; N181-A627 PolarHBondContact OD1-N 2.83Å; E186-A627 HydrophobicContact CG-CB 3.56Å; E186-A627 VanDerWaalsContact OE1-CA 3.29Å; E186-A627 WeakPolarHBondContact OE1-CA 3.19Å; E186-A627 VanDerWaalsContact OE1-CB 3.31Å; E186-A627 WeakPolarHBondContact OE1-CB 3.5Å; E186-A627 PolarHBondContact OE1-N 2.86Å; A627-L629 VanDerWaalsContact C-N 3.26Å; A627-L629 PolarHBondContact O-N 2.82Å; A627-H662 PolarHBondContact O-ND1 3.26Å
628	G	96.9	Very high	97.4	Very high	3 Å²	3	40.4 Å²	40.4	3%	0.031	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	-25.8	-175.2	0	0	0	0	0	115.3	G626 P656 L657 H658	G626-G628 PolarHBondContact O-N 2.89Å; G628-P656 CarbonylContact O-C 3.56Å; G628-P656 WeakPolarHBondContact O-CA 3.43Å; G628-L657 PolarHBondContact O-N 3.44Å; G628-H658 PolarHBondContact O-N 2.8Å
629	L	98.2	Very high	97.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-34.7	-179.6	-60.1	178.1	0	0	0	113.4	G626 A627 L655 P656 H662 L664 V682 I684	G626-L629 WeakPolarHBondContact O-CB 3.44Å; G626-L629 PolarHBondContact O-N 2.99Å; A627-L629 VanDerWaalsContact C-N 3.26Å; A627-L629 PolarHBondContact O-N 2.82Å; L629-L655 CarbonylContact O-C 3.57Å; L629-L655 VanDerWaalsContact O-C 3.26Å; L629-L655 PolarHBondContact O-N 3.31Å; L629-P656 HydrophobicContact CD2-CB 4.19Å; L629-P656 HydrophobicContact CD2-CG 4.16Å; L629-H662 HydrophobicContact CD1-CB 3.97Å; L629-H662 HydrophobicContact CD2-CB 3.86Å; L629-H662 HydrophobicContact CG-CB 3.66Å; L629-L664 HydrophobicContact CD1-CB 3.73Å; L629-L664 HydrophobicContact CD1-CD1 3.88Å; L629-L664 HydrophobicContact CD1-CG 4.42Å; L629-V682 HydrophobicContact CD1-CB 4.24Å; L629-V682 HydrophobicContact CD1-CG2 4.19Å; L629-V682 HydrophobicContact CD2-CB 4.14Å; L629-V682 HydrophobicContact CD2-CG1 4.18Å; L629-I684 HydrophobicContact CD2-CD1 3.66Å; L629-I684 HydrophobicContact CD2-CG1 3.78Å
630	T	97.5	Very high	97.3	Very high	10 Å²	10	44 Å²	44	6%	0.061	23%	0.232	C	C	.	.			trans	-149.5	138.8	176.6	-173.7	0	0	0	0	109.3	G626 E632 K634 L654	G626-T630 PolarHBondContact O-N 3.18Å; G626-T630 VanDerWaalsContact O-N 3.15Å; T630-E632 VanDerWaalsContact CG2-O 3.28Å; T630-E632 WeakPolarHBondContact CG2-O 3.38Å; T630-E632 PolarHBondContact OG1-O 3.43Å; T630-K634 VanDerWaalsContact OG1-CE 3.3Å; T630-K634 WeakPolarHBondContact OG1-CE 3.49Å; T630-L654 HydrophobicContact CG2-CD2 4.5Å
631	E	93.9	Very high	97.2	Very high	45 Å²	45	47.1 Å²	47.1	21%	0.21	25%	0.253	C	S	.	.	S	Bend	trans	-79	-24.9	178.4	-65.6	-68.6	115.9	0	0	112.4	R28 R262 L657 H658	R28-E631 IonicContact CZ-OE2 2.85Å; R28-E631 IonicContact NH1-OE2 2.7Å; R28-E631 PolarHBondContact NH1-OE2 2.86Å; R28-E631 IonicContact NH2-OE1 3.32Å; R28-E631 IonicContact NH2-OE2 3.16Å; R28-E631 PolarHBondContact NH2-OE2 2.79Å; R262-E631 PolarHBondContact NH1-O 3.21Å; E631-L657 HydrophobicContact CG-CD1 3.68Å; E631-H658 IonicContact OE1-CE1 3.41Å
632	E	93.1	Very high	97.2	Very high	146 Å²	146	46.1 Å²	46.1	68%	0.682	25%	0.246	S	C	*	.	S	Bend	trans	-124	147	179.3	-64.1	-177.5	169.7	0	0	110.5	T630	T630-E632 VanDerWaalsContact CG2-O 3.28Å; T630-E632 WeakPolarHBondContact CG2-O 3.38Å; T630-E632 PolarHBondContact OG1-O 3.43Å
633	Q	97	Very high	97.2	Very high	57 Å²	57	51 Å²	51	27%	0.266	27%	0.269	S	S	.	.			trans	-62.7	137.7	171.1	-173.8	-178.6	89.4	0	0	109.6	T623 E625	T623-Q633 HydrophobicContact CG2-CG 3.49Å; T623-Q633 VanDerWaalsContact CG2-CG 3.49Å; E625-Q633 HydrophobicContact CB-CG 4.39Å; E625-Q633 PolarHBondContact OE2-NE2 3.26Å
634	K	97.5	Very high	97.1	Very high	74 Å²	74	52.4 Å²	52.4	32%	0.322	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.8	180	-74.6	168.1	179.2	-84.6	0	110.2	T623 V624 T630 M652 D653 L654	T623-K634 CarbonylContact C-O 3.49Å; T623-K634 WeakPolarHBondContact CA-O 3.35Å; V624-K634 PolarHBondContact N-O 2.85Å; V624-K634 PolarHBondContact O-N 3.28Å; T630-K634 VanDerWaalsContact OG1-CE 3.3Å; T630-K634 WeakPolarHBondContact OG1-CE 3.49Å; K634-M652 HydrophobicContact CB-SD 4.11Å; K634-D653 VanDerWaalsContact CD-O 3.27Å; K634-D653 WeakPolarHBondContact CD-O 3.45Å; K634-D653 WeakPolarHBondContact CE-O 3.47Å; K634-D653 PolarHBondContact NZ-O 3.08Å; K634-L654 HydrophobicContact CD-CD2 3.86Å
635	T	97.6	Very high	96.9	Very high	71 Å²	71	54.5 Å²	54.5	44%	0.436	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.1	179.3	-56	0	0	0	0	109.6	T621 F622	T621-T635 HydrophobicContact CG2-CG2 3.3Å; F622-T635 CarbonylContact O-C 3.57Å; F622-T635 VanDerWaalsContact O-CA 3.29Å; F622-T635 WeakPolarHBondContact O-CA 3.37Å
636	V	98.1	Very high	96.9	Very high	47 Å²	47	59.3 Å²	59.3	29%	0.285	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	120	173.2	177.9	0	0	0	0	108.5	T621 F622 V650 M652	T621-V636 WeakPolarHBondContact CA-O 3.48Å; F622-V636 PolarHBondContact N-O 3.1Å; F622-V636 PolarHBondContact O-N 3.34Å; V636-V650 HydrophobicContact CB-CG2 4.44Å; V636-V650 HydrophobicContact CG1-CB 4.14Å; V636-V650 HydrophobicContact CG1-CG1 3.94Å; V636-V650 HydrophobicContact CG1-CG2 4.47Å; V636-M652 HydrophobicContact CB-CE 3.85Å; V636-M652 HydrophobicContact CG2-CE 3.69Å; V636-M652 HydrophobicContact CG2-CG 3.87Å; V636-M652 HydrophobicContact CG2-SD 4.2Å
637	E	97.6	Very high	96.8	Very high	153 Å²	153	63.2 Å²	63.2	72%	0.715	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	140	171.8	-63.4	176.7	-173.8	0	0	109.7	T621	T621-E637 HydrophobicContact CG2-CG 4.32Å
638	I	97.3	Very high	96.8	Very high	26 Å²	26	63.6 Å²	63.6	13%	0.133	35%	0.347	C	S	.	.			trans	-101.5	119.4	175.9	-62.7	91.5	0	0	0	107.4	C620 F622 V648 V650	C620-I638 HydrophobicContact CB-CB 3.96Å; C620-I638 HydrophobicContact CB-CD1 3.99Å; C620-I638 HydrophobicContact CB-CG1 4.43Å; C620-I638 WeakPolarHBondContact O-CD1 3.39Å; C620-I638 PolarHBondContact O-N 3.41Å; F622-I638 HydrophobicContact CD2-CD1 3.96Å; I638-V648 HydrophobicContact CB-CG2 4.39Å; I638-V648 HydrophobicContact CD1-CG2 3.9Å; I638-V648 HydrophobicContact CG1-CG2 3.63Å; I638-V648 HydrophobicContact CG2-CG2 4.22Å; I638-V650 HydrophobicContact CD1-CG1 4.06Å; I638-V650 HydrophobicContact CG1-CG1 3.82Å
639	P	94.4	Very high	96.8	Very high	119 Å²	119	67.9 Å²	67.9	77%	0.773	37%	0.365	S	S	*	.			trans	-73.8	-37.8	-170.5	27.8	-34.3	0	0	0	113
640	D	96.6	Very high	96.8	Very high	120 Å²	120	68.8 Å²	68.8	64%	0.642	37%	0.371	S	S	*	.	S	Bend	trans	-91.6	145.6	-175.8	-60	-47.2	0	0	0	110.9
641	P	97.5	Very high	96.8	Very high	66 Å²	66	76 Å²	76	43%	0.429	40%	0.397	S	S	.	.			trans	-58.2	148.6	170.6	-22.3	33.5	0	0	0	112	L617 E618	L617-P641 CarbonylContact O-C 3.54Å; L617-P641 VanDerWaalsContact O-CA 3.31Å; L617-P641 WeakPolarHBondContact O-CA 3.4Å; E618-P641 HydrophobicContact CG-CB 4.24Å; E618-P641 HydrophobicContact CG-CG 4.33Å
642	V	98.1	Very high	97	Very high	7 Å²	7	74.2 Å²	74.2	4%	0.042	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-104.5	109.3	177.3	-176.4	0	0	0	0	108.2	N611 A616 L617 C620 E646 V648	N611-V642 HydrophobicContact CB-CG1 4.17Å; N611-V642 PolarHBondContact ND2-O 3.08Å; A616-V642 CarbonylContact C-O 3.52Å; A616-V642 VanDerWaalsContact CA-O 3.26Å; A616-V642 WeakPolarHBondContact CA-O 3.34Å; L617-V642 HydrophobicContact CB-CB 4.33Å; L617-V642 PolarHBondContact N-O 2.71Å; L617-V642 PolarHBondContact O-N 3.44Å; C620-V642 HydrophobicContact CB-CG2 4.48Å; V642-E646 HydrophobicContact CG1-CB 4Å; V642-V648 HydrophobicContact CG1-CB 4.25Å; V642-V648 HydrophobicContact CG2-CB 3.84Å; V642-V648 HydrophobicContact CG2-CG2 4.07Å
643	E	98.2	Very high	97.2	Very high	102 Å²	102	70.7 Å²	70.7	48%	0.477	37%	0.374	S	S	.	.			trans	-69.9	168.5	-174.1	-65.6	-65.1	159.6	0	0	112.5	N611 G645 E646	N611-E643 PolarHBondContact ND2-O 3.02Å; E643-G645 PolarHBondContact O-N 3.08Å; E643-E646 HydrophobicContact CB-CG 3.96Å; E643-E646 PolarHBondContact N-OE2 3.44Å; E643-E646 VanDerWaalsContact N-OE2 3.08Å; E643-E646 WeakPolarHBondContact O-CB 3.01Å; E643-E646 PolarHBondContact O-N 2.92Å; E643-E646 VanDerWaalsContact O-N 3.14Å
644	A	97.1	Very high	97.3	Very high	51 Å²	51	68.1 Å²	68.1	42%	0.421	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	125.6	179.2	0	0	0	0	0	111.3	E646	A644-E646 VanDerWaalsContact C-N 3.26Å; A644-E646 PolarHBondContact O-N 3.11Å
645	G	93.9	Very high	97.3	Very high	43 Å²	43	68.8 Å²	68.8	44%	0.443	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	-6.8	-179.5	0	0	0	0	0	115.9	Q610 N611 E643	Q610-G645 PolarHBondContact NE2-O 3.34Å; N611-G645 PolarHBondContact O-N 2.96Å; E643-G645 PolarHBondContact O-N 3.08Å
646	E	97.6	Very high	97.3	Very high	105 Å²	105	65.4 Å²	65.4	49%	0.491	35%	0.348	S	S	.	.			trans	-72.7	159.4	174.8	-67.5	-168.9	152.5	0	0	112.4	Q610 N611 V642 E643 A644	Q610-E646 WeakPolarHBondContact CA-O 3.15Å; N611-E646 PolarHBondContact N-O 3.36Å; V642-E646 HydrophobicContact CG1-CB 4Å; E643-E646 HydrophobicContact CB-CG 3.96Å; E643-E646 PolarHBondContact N-OE2 3.44Å; E643-E646 VanDerWaalsContact N-OE2 3.08Å; E643-E646 WeakPolarHBondContact O-CB 3.01Å; E643-E646 PolarHBondContact O-N 2.92Å; E643-E646 VanDerWaalsContact O-N 3.14Å; A644-E646 VanDerWaalsContact C-N 3.26Å; A644-E646 PolarHBondContact O-N 3.11Å
647	E	97.4	Very high	97.1	Very high	83 Å²	83	65.8 Å²	65.8	39%	0.388	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.4	175.3	-176	-174	-135.5	0	0	110.2	S608 L609 K649	S608-E647 WeakPolarHBondContact CB-OE1 3.46Å; S608-E647 PolarHBondContact OG-OE1 2.94Å; L609-E647 CarbonylContact O-C 3.57Å; L609-E647 WeakPolarHBondContact O-CA 2.79Å; L609-E647 WeakPolarHBondContact O-CG 3.09Å; E647-K649 WeakPolarHBondContact OE2-CE 3.46Å; E647-K649 IonicContact OE2-NZ 3.18Å; E647-K649 PolarHBondContact OE2-NZ 3.3Å
648	V	97.1	Very high	97	Very high	7 Å²	7	60 Å²	60	4%	0.042	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	132.7	166.9	62.7	0	0	0	0	109.6	S608 L609 F622 I638 V642 F668	S608-V648 CarbonylContact C-O 3.26Å; S608-V648 WeakPolarHBondContact CA-O 3.41Å; S608-V648 WeakPolarHBondContact CB-O 3.5Å; L609-V648 HydrophobicContact CB-CG1 3.84Å; L609-V648 HydrophobicContact CD2-CG1 3.93Å; L609-V648 HydrophobicContact CG-CG1 4.45Å; L609-V648 PolarHBondContact N-O 3.48Å; L609-V648 WeakPolarHBondContact O-CG1 3.42Å; L609-V648 PolarHBondContact O-N 3.25Å; F622-V648 HydrophobicContact CE2-CG1 3.89Å; F622-V648 HydrophobicContact CE2-CG2 4.09Å; F622-V648 HydrophobicContact CZ-CG1 4.1Å; I638-V648 HydrophobicContact CB-CG2 4.39Å; I638-V648 HydrophobicContact CD1-CG2 3.9Å; I638-V648 HydrophobicContact CG1-CG2 3.63Å; I638-V648 HydrophobicContact CG2-CG2 4.22Å; V642-V648 HydrophobicContact CG1-CB 4.25Å; V642-V648 HydrophobicContact CG2-CB 3.84Å; V642-V648 HydrophobicContact CG2-CG2 4.07Å; V648-F668 HydrophobicContact CG1-CD2 4.45Å; V648-F668 HydrophobicContact CG1-CE2 3.77Å; V648-F668 HydrophobicContact CG1-CZ 4.25Å
649	K	97.8	Very high	96.9	Very high	94 Å²	94	63.8 Å²	63.8	41%	0.409	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	128.8	-177.2	179.8	177.1	-69.7	137.3	0	111.1	E606 V607 E647	E606-K649 HydrophobicContact CG-CD 4.14Å; E606-K649 HydrophobicContact CG-CG 3.9Å; V607-K649 WeakPolarHBondContact O-CA 3.34Å; E647-K649 WeakPolarHBondContact OE2-CE 3.46Å; E647-K649 IonicContact OE2-NZ 3.18Å; E647-K649 PolarHBondContact OE2-NZ 3.3Å
650	V	97.9	Very high	97	Very high	19 Å²	19	59.7 Å²	59.7	12%	0.115	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	160.2	176.4	-57.7	0	0	0	0	111.3	E606 V607 F622 V636 I638 M652	E606-V650 WeakPolarHBondContact CA-O 3.45Å; V607-V650 HydrophobicContact CG2-CG2 3.43Å; V607-V650 VanDerWaalsContact CG2-CG2 3.43Å; V607-V650 PolarHBondContact N-O 2.97Å; V607-V650 PolarHBondContact O-N 2.92Å; F622-V650 HydrophobicContact CB-CG2 4.1Å; F622-V650 HydrophobicContact CD2-CG1 4.31Å; F622-V650 HydrophobicContact CD2-CG2 3.48Å; F622-V650 VanDerWaalsContact CD2-CG2 3.48Å; F622-V650 HydrophobicContact CE2-CG2 4.17Å; F622-V650 HydrophobicContact CG-CG2 4.03Å; V636-V650 HydrophobicContact CB-CG2 4.44Å; V636-V650 HydrophobicContact CG1-CB 4.14Å; V636-V650 HydrophobicContact CG1-CG1 3.94Å; V636-V650 HydrophobicContact CG1-CG2 4.47Å; I638-V650 HydrophobicContact CD1-CG1 4.06Å; I638-V650 HydrophobicContact CG1-CG1 3.82Å; V650-M652 HydrophobicContact CG2-CE 4.04Å
651	R	97.9	Very high	97.1	Very high	161 Å²	161	59.1 Å²	59.1	61%	0.608	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.1	175.1	-72.4	-179.9	175.6	176.2	-0.5	109.7	V604 A605 E606	V604-R651 HydrophobicContact CG1-CB 3.92Å; V604-R651 HydrophobicContact CG1-CG 4.18Å; A605-R651 WeakPolarHBondContact O-CA 3.11Å; E606-R651 HydrophobicContact CB-CG 4.05Å; E606-R651 HydrophobicContact CG-CG 3.81Å; E606-R651 IonicContact OE2-CZ 3.97Å; E606-R651 IonicContact OE2-NE 2.92Å; E606-R651 PolarHBondContact OE2-NE 3.43Å; E606-R651 IonicContact OE2-NH2 3.38Å; E606-R651 PolarHBondContact OE2-NH2 3.24Å
652	M	97.1	Very high	97.2	Very high	7 Å²	7	56.7 Å²	56.7	3%	0.034	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.2	177.2	-60.5	-169.5	-168.7	0	0	110.2	V604 A605 V607 F622 V624 K634 V636 V650	V604-M652 WeakPolarHBondContact CA-O 3.45Å; A605-M652 PolarHBondContact N-O 3.12Å; A605-M652 PolarHBondContact O-N 2.92Å; V607-M652 HydrophobicContact CG2-CE 4.49Å; F622-M652 HydrophobicContact CB-CE 3.39Å; F622-M652 WeakPolarHBondContact O-CE 3.19Å; V624-M652 HydrophobicContact CB-CE 4.43Å; V624-M652 HydrophobicContact CB-SD 3.61Å; V624-M652 HydrophobicContact CG2-CE 3.63Å; V624-M652 HydrophobicContact CG2-SD 3.27Å; V624-M652 WeakPolarHBondContact CG2-SD 3.43Å; K634-M652 HydrophobicContact CB-SD 4.11Å; V636-M652 HydrophobicContact CB-CE 3.85Å; V636-M652 HydrophobicContact CG2-CE 3.69Å; V636-M652 HydrophobicContact CG2-CG 3.87Å; V636-M652 HydrophobicContact CG2-SD 4.2Å; V650-M652 HydrophobicContact CG2-CE 4.04Å
653	D	97.8	Very high	97.2	Very high	72 Å²	72	56.6 Å²	56.6	39%	0.385	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	126.4	175.4	-70.7	-30.4	0	0	0	110.2	K602 V604 K634	K602-D653 WeakPolarHBondContact CE-OD1 3.47Å; K602-D653 WeakPolarHBondContact CE-OD2 3.42Å; K602-D653 IonicContact NZ-OD1 3.32Å; K602-D653 PolarHBondContact NZ-OD1 3.08Å; K602-D653 IonicContact NZ-OD2 2.7Å; K602-D653 PolarHBondContact NZ-OD2 3.13Å; V604-D653 WeakPolarHBondContact CG2-OD1 3.4Å; K634-D653 VanDerWaalsContact CD-O 3.27Å; K634-D653 WeakPolarHBondContact CD-O 3.45Å; K634-D653 WeakPolarHBondContact CE-O 3.47Å; K634-D653 PolarHBondContact NZ-O 3.08Å
654	L	97.9	Very high	97.2	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	156	176.3	-53.3	179.4	0	0	0	110.1	L603 A605 T630 K634 L664	L603-L654 HydrophobicContact CB-CB 4.38Å; L603-L654 PolarHBondContact N-O 3.06Å; L603-L654 PolarHBondContact O-N 2.83Å; A605-L654 HydrophobicContact CB-CD1 3.87Å; A605-L654 HydrophobicContact CB-CG 4.38Å; T630-L654 HydrophobicContact CG2-CD2 4.5Å; K634-L654 HydrophobicContact CD-CD2 3.86Å; L654-L664 HydrophobicContact CD1-CD1 3.84Å; L654-L664 HydrophobicContact CD1-CD2 4.16Å
655	L	98	Very high	97.3	Very high	88 Å²	88	49.3 Å²	49.3	46%	0.461	26%	0.255	S	S	.	.			trans	-135.1	86.7	173.4	-175.8	64.8	0	0	0	109.3	L629 L657	L629-L655 CarbonylContact O-C 3.57Å; L629-L655 VanDerWaalsContact O-C 3.26Å; L629-L655 PolarHBondContact O-N 3.31Å; L655-L657 HydrophobicContact CD2-CD2 4.4Å; L655-L657 HydrophobicContact CG-CD2 4.21Å; L655-L657 PolarHBondContact O-N 2.91Å
656	P	97.6	Very high	97.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.234	C	C	.	.			trans	-67.1	124.6	-178	-21.4	34.4	0	0	0	111.6	K600 R601 L603 G628 L629 I684	K600-P656 PolarHBondContact N-O 3.32Å; R601-P656 WeakPolarHBondContact O-CD 3.47Å; L603-P656 HydrophobicContact CB-CG 4.25Å; L603-P656 HydrophobicContact CD2-CG 4.03Å; G628-P656 CarbonylContact O-C 3.56Å; G628-P656 WeakPolarHBondContact O-CA 3.43Å; L629-P656 HydrophobicContact CD2-CB 4.19Å; L629-P656 HydrophobicContact CD2-CG 4.16Å; P656-I684 HydrophobicContact CB-CD1 3.59Å; P656-I684 HydrophobicContact CB-CG1 3.81Å; P656-I684 HydrophobicContact CB-CG2 4.14Å; P656-I684 HydrophobicContact CG-CD1 3.63Å; P656-I684 HydrophobicContact CG-CG1 4.4Å
657	L	95.1	Very high	97.6	Very high	55 Å²	55	42.5 Å²	42.5	29%	0.288	21%	0.211	S	C	.	.			trans	-100.6	-16.3	-179.1	-62	-173.8	0	0	0	113.2	Q599 K600 G628 E631 L655	Q599-L657 VanDerWaalsContact CG-O 3.25Å; Q599-L657 WeakPolarHBondContact CG-O 3.3Å; Q599-L657 PolarHBondContact NE2-O 2.94Å; K600-L657 HydrophobicContact CG-CD2 4.13Å; G628-L657 PolarHBondContact O-N 3.44Å; E631-L657 HydrophobicContact CG-CD1 3.68Å; L655-L657 HydrophobicContact CD2-CD2 4.4Å; L655-L657 HydrophobicContact CG-CD2 4.21Å; L655-L657 PolarHBondContact O-N 2.91Å
658	H	94.3	Very high	97.6	Very high	31 Å²	31	38.5 Å²	38.5	14%	0.144	19%	0.193	C	C	.	.	S	Bend	trans	-117.5	137.8	-174.7	-57.4	83.7	0	0	0	110.1	D25 G628 E631 H662 I684	D25-H658 IonicContact OD1-CD2 2.82Å; D25-H658 PolarHBondContact OD1-CD2 3.23Å; D25-H658 VanDerWaalsContact OD1-CD2 3.29Å; D25-H658 IonicContact OD1-NE2 2.59Å; G628-H658 PolarHBondContact O-N 2.8Å; E631-H658 IonicContact OE1-CE1 3.41Å; H658-H662 PolarHBondContact O-NE2 2.74Å; H658-H662 VanDerWaalsContact O-NE2 3.1Å; H658-I684 WeakPolarHBondContact O-CB 3.34Å; H658-I684 WeakPolarHBondContact O-CG2 3.04Å
659	M	96.1	Very high	97.7	Very high	105 Å²	105	39.8 Å²	39.8	52%	0.517	20%	0.198	S	C	.	.			trans	-75.9	169.9	175.3	-67.3	-173.7	-65.8	0	0	111.2	Q599 H662 P686	Q599-M659 HydrophobicContact CB-CG 3.99Å; Q599-M659 HydrophobicContact CG-CG 4.04Å; M659-H662 PolarHBondContact O-NE2 2.88Å; M659-P686 HydrophobicContact SD-CB 3.85Å
660	G	96.9	Very high	97.6	Very high	33 Å²	33	35.5 Å²	35.5	34%	0.34	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	92.3	-165.7	173.9	0	0	0	0	0	113.7	H662 I683 I684	G660-H662 PolarHBondContact O-CD2 3.23Å; G660-H662 VanDerWaalsContact O-CD2 3.26Å; G660-I683 WeakPolarHBondContact O-CA 3.38Å; G660-I684 PolarHBondContact N-O 3.38Å; G660-I684 PolarHBondContact O-N 3.15Å
661	L	98.3	Very high	97.5	Very high	109 Å²	109	37.9 Å²	37.9	57%	0.571	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83	126.5	-177.4	174.4	64.5	0	0	0	110.6	N681 I683	L661-N681 HydrophobicContact CD1-CB 3.88Å; L661-I683 HydrophobicContact CD1-CG1 3.88Å
662	H	98.4	Very high	97.4	Very high	14 Å²	14	33 Å²	33	7%	0.065	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	157.8	172.9	-56.4	-76.9	0	0	0	109.9	A627 L629 H658 M659 G660 N681 V682	A627-H662 PolarHBondContact O-ND1 3.26Å; L629-H662 HydrophobicContact CD1-CB 3.97Å; L629-H662 HydrophobicContact CD2-CB 3.86Å; L629-H662 HydrophobicContact CG-CB 3.66Å; H658-H662 PolarHBondContact O-NE2 2.74Å; H658-H662 VanDerWaalsContact O-NE2 3.1Å; M659-H662 PolarHBondContact O-NE2 2.88Å; G660-H662 PolarHBondContact O-CD2 3.23Å; G660-H662 VanDerWaalsContact O-CD2 3.26Å; H662-N681 WeakPolarHBondContact O-CA 3.31Å; H662-V682 PolarHBondContact N-O 2.96Å; H662-V682 PolarHBondContact O-N 3.04Å
663	K	98.6	Very high	97.3	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.026	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118	174.9	-164.6	-176.9	-61.4	-68.6	0	110	Q164 F166 P179 D434 F679 N681	Q164-K663 HydrophobicContact CB-CB 3.6Å; Q164-K663 HydrophobicContact CB-CD 4.36Å; Q164-K663 HydrophobicContact CG-CB 3.9Å; F166-K663 HydrophobicContact CE1-CD 4.39Å; F166-K663 HydrophobicContact CZ-CD 4.31Å; P179-K663 HydrophobicContact CB-CD 4.42Å; D434-K663 IonicContact OD1-NZ 3.57Å; D434-K663 PolarHBondContact OD1-NZ 3.33Å; D434-K663 IonicContact OD2-NZ 3.09Å; D434-K663 PolarHBondContact OD2-NZ 3.33Å; K663-F679 HydrophobicContact CD-CB 4.1Å; K663-F679 HydrophobicContact CD-CD2 3.74Å; K663-F679 HydrophobicContact CD-CG 4.11Å; K663-F679 HydrophobicContact CG-CB 4.05Å; K663-F679 HydrophobicContact CG-CD2 3.84Å; K663-F679 HydrophobicContact CG-CG 4.33Å; K663-N681 PolarHBondContact NZ-OD1 2.93Å
664	L	98.8	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	123.1	169.7	-169.2	69.2	0	0	0	108.5	I591 I593 A605 V624 L629 L654 F679 R680 V682	I591-L664 HydrophobicContact CG2-CD2 4.23Å; I593-L664 HydrophobicContact CD1-CD2 4.39Å; A605-L664 HydrophobicContact CB-CD2 3.68Å; V624-L664 HydrophobicContact CG1-CD1 3.33Å; V624-L664 HydrophobicContact CG1-CD2 4.08Å; V624-L664 HydrophobicContact CG1-CG 3.75Å; L629-L664 HydrophobicContact CD1-CB 3.73Å; L629-L664 HydrophobicContact CD1-CD1 3.88Å; L629-L664 HydrophobicContact CD1-CG 4.42Å; L654-L664 HydrophobicContact CD1-CD1 3.84Å; L654-L664 HydrophobicContact CD1-CD2 4.16Å; L664-F679 CarbonylContact O-C 3.58Å; L664-F679 WeakPolarHBondContact O-CA 3.36Å; L664-F679 WeakPolarHBondContact O-CB 3.2Å; L664-R680 PolarHBondContact N-O 3.21Å; L664-R680 PolarHBondContact O-N 2.87Å; L664-V682 HydrophobicContact CB-CG2 4.42Å
665	V	98.8	Very high	97.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135.4	178.8	-170	0	0	0	0	109.4	P179 N181 I255 V624 E625	P179-V665 HydrophobicContact CB-CG1 3.83Å; P179-V665 HydrophobicContact CB-CG2 4.14Å; P179-V665 HydrophobicContact CG-CG1 3.75Å; N181-V665 HydrophobicContact CB-CG2 4.39Å; I255-V665 HydrophobicContact CB-CB 4.42Å; I255-V665 HydrophobicContact CB-CG1 3.68Å; I255-V665 HydrophobicContact CG2-CG1 3.87Å; V624-V665 WeakPolarHBondContact CA-O 3.37Å; E625-V665 PolarHBondContact N-O 2.82Å; E625-V665 PolarHBondContact O-N 2.82Å
666	V	98.8	Very high	97.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.6	-175.7	-173	0	0	0	0	109.8	I589 I591 V607 F622 T623 V624 K677 G678	I589-V666 HydrophobicContact CD1-CG1 4.22Å; I589-V666 HydrophobicContact CG2-CG1 4.19Å; I591-V666 HydrophobicContact CD1-CB 4.31Å; I591-V666 HydrophobicContact CD1-CG2 3.55Å; I591-V666 HydrophobicContact CG1-CG2 4.24Å; V607-V666 HydrophobicContact CB-CG1 4.47Å; V607-V666 HydrophobicContact CG1-CG1 4.25Å; V607-V666 HydrophobicContact CG1-CG2 4.06Å; F622-V666 HydrophobicContact CD1-CG1 3.76Å; F622-V666 HydrophobicContact CE1-CG1 4.25Å; T623-V666 CarbonylContact O-C 3.53Å; T623-V666 WeakPolarHBondContact O-CA 3.37Å; V624-V666 HydrophobicContact CG2-CB 4.39Å; V624-V666 HydrophobicContact CG2-CG1 3.98Å; V624-V666 HydrophobicContact CG2-CG2 4Å; V666-K677 WeakPolarHBondContact O-CA 3.44Å; V666-G678 PolarHBondContact N-O 2.61Å; V666-G678 PolarHBondContact O-N 2.63Å
667	N	98.7	Very high	97.1	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.7	166.6	-173.6	76	0	0	0	109.9	I255 F622 T623 A675 V676 K677	I255-N667 HydrophobicContact CG2-CB 3.63Å; F622-N667 CarbonylContact C-O 3.45Å; F622-N667 WeakPolarHBondContact CA-O 3.34Å; T623-N667 PolarHBondContact N-O 3.44Å; T623-N667 PolarHBondContact O-N 2.83Å; N667-A675 WeakPolarHBondContact OD1-CA 3.26Å; N667-V676 CarbonylContact C-O 3.57Å; N667-V676 WeakPolarHBondContact CA-O 3.33Å; N667-K677 WeakPolarHBondContact OD1-CE 3.4Å; N667-K677 PolarHBondContact OD1-NZ 3.35Å
668	F	98.6	Very high	97.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.6	163.7	174.3	-88.7	0	0	0	110.1	I589 L609 L617 C620 T621 F622 V648 L673 A675 V676	I589-F668 HydrophobicContact CD1-CB 4.03Å; L609-F668 HydrophobicContact CD2-CD1 3.6Å; L609-F668 HydrophobicContact CD2-CD2 4.09Å; L609-F668 HydrophobicContact CD2-CE1 3.48Å; L609-F668 VanDerWaalsContact CD2-CE1 3.48Å; L609-F668 HydrophobicContact CD2-CE2 3.97Å; L609-F668 HydrophobicContact CD2-CG 3.89Å; L609-F668 HydrophobicContact CD2-CZ 3.65Å; L617-F668 HydrophobicContact CD1-CE1 4.12Å; L617-F668 HydrophobicContact CD1-CZ 4.12Å; C620-F668 HydrophobicContact CB-CE2 3.81Å; C620-F668 HydrophobicContact CB-CZ 3.85Å; T621-F668 WeakPolarHBondContact O-CA 3.43Å; F622-F668 HydrophobicContact CD1-CB 3.89Å; F622-F668 AromaticContact CD1-CD2 3.96Å; F622-F668 HydrophobicContact CD1-CD2 3.96Å; F622-F668 HydrophobicContact CD1-CG 4.44Å; F622-F668 HydrophobicContact CD2-CD2 4Å; F622-F668 HydrophobicContact CE1-CB 3.7Å; F622-F668 AromaticContact CE1-CD2 3.69Å; F622-F668 HydrophobicContact CE1-CD2 3.69Å; F622-F668 HydrophobicContact CE1-CG 4.11Å; F622-F668 AromaticContact CE2-CD2 3.73Å; F622-F668 HydrophobicContact CE2-CD2 3.73Å; F622-F668 HydrophobicContact CE2-CE2 4.13Å; F622-F668 HydrophobicContact CG-CD2 4.11Å; F622-F668 HydrophobicContact CZ-CB 4.38Å; F622-F668 AromaticContact CZ-CD2 3.57Å; F622-F668 HydrophobicContact CZ-CD2 3.57Å; F622-F668 HydrophobicContact CZ-CE2 4.26Å; F622-F668 HydrophobicContact CZ-CG 4.32Å; V648-F668 HydrophobicContact CG1-CD2 4.45Å; V648-F668 HydrophobicContact CG1-CE2 3.77Å; V648-F668 HydrophobicContact CG1-CZ 4.25Å; F668-L673 HydrophobicContact CD1-CD2 4.44Å; F668-L673 HydrophobicContact CE1-CD2 4.15Å; F668-A675 PolarHBondContact O-N 3.47Å; F668-V676 HydrophobicContact CB-CB 4.18Å; F668-V676 HydrophobicContact CD1-CB 4.46Å; F668-V676 HydrophobicContact CD1-CG2 4.39Å; F668-V676 PolarHBondContact N-O 2.91Å; F668-V676 PolarHBondContact O-N 3.01Å
669	E	97.7	Very high	97.5	Very high	34 Å²	34	29.5 Å²	29.5	16%	0.159	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.2	179.3	-169.7	67.7	-146.2	0	0	109.5	S253 C620 T621 K674 A675	S253-E669 PolarHBondContact OG-OE2 2.93Å; C620-E669 CarbonylContact C-O 3.57Å; C620-E669 WeakPolarHBondContact CA-O 3.46Å; T621-E669 PolarHBondContact N-O 2.89Å; T621-E669 PolarHBondContact O-N 2.89Å; E669-K674 VanDerWaalsContact OE1-CB 3.28Å; E669-K674 WeakPolarHBondContact OE1-CB 3.44Å; E669-K674 VanDerWaalsContact OE1-CD 3.3Å; E669-K674 WeakPolarHBondContact OE1-CD 3.38Å; E669-K674 WeakPolarHBondContact OE1-CG 3.17Å; E669-K674 IonicContact OE1-NZ 2.87Å; E669-K674 PolarHBondContact OE1-NZ 2.87Å; E669-A675 PolarHBondContact OE2-N 3.36Å
670	S	97.4	Very high	97.6	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.028	15%	0.15	C	C	.	.			trans	-150.3	-179.1	170.4	65.1	0	0	0	0	109	E618 L673 K674	E618-S670 WeakPolarHBondContact O-CB 3.43Å; S670-L673 PolarHBondContact N-O 3.37Å; S670-L673 WeakPolarHBondContact OG-CA 3.45Å; S670-L673 WeakPolarHBondContact OG-CB 3.47Å; S670-L673 PolarHBondContact OG-N 3.19Å; S670-L673 PolarHBondContact OG-O 3.1Å; S670-K674 PolarHBondContact O-NZ 2.91Å
671	D	95	Very high	97.7	Very high	68 Å²	68	31.8 Å²	31.8	36%	0.364	15%	0.149	S	C	.	.	S	Bend	trans	-62.3	-40.3	174.8	69.1	-32.8	0	0	0	113.5	E618 K674	E618-D671 PolarHBondContact N-OD1 2.85Å; E618-D671 PolarHBondContact O-N 2.9Å; D671-K674 WeakPolarHBondContact O-CE 3.41Å
672	K	95.1	Very high	97.7	Very high	59 Å²	59	27 Å²	27	26%	0.257	12%	0.124	S	C	.	.	S	Bend	trans	-111.7	-14	-173	-61.6	175.8	-160.2	81.4	0	115.2	L613 V615 A616 L617	L613-K672 HydrophobicContact CD1-CB 3.77Å; V615-K672 HydrophobicContact CG2-CD 3.59Å; A616-K672 PolarHBondContact O-NZ 3.21Å; L617-K672 HydrophobicContact CD2-CB 4.08Å
673	L	96.3	Very high	97.7	Very high	2 Å²	2	32 Å²	32	1%	0.01	15%	0.151	C	C	.	.	S	Bend	trans	-131.5	110.3	178.5	-176.4	68.6	0	0	0	109.2	M485 P587 L609 P612 L613 L617 F668 S670 V676	M485-L673 HydrophobicContact CG-CD1 4.08Å; P587-L673 HydrophobicContact CG-CD2 3.84Å; L609-L673 HydrophobicContact CD2-CD2 4.15Å; P612-L673 HydrophobicContact CG-CD2 4.2Å; L613-L673 HydrophobicContact CD1-CB 4.38Å; L617-L673 HydrophobicContact CD1-CB 4.3Å; L617-L673 HydrophobicContact CD1-CD2 4.1Å; L617-L673 HydrophobicContact CD2-CB 3.83Å; F668-L673 HydrophobicContact CD1-CD2 4.44Å; F668-L673 HydrophobicContact CE1-CD2 4.15Å; S670-L673 PolarHBondContact N-O 3.37Å; S670-L673 WeakPolarHBondContact OG-CA 3.45Å; S670-L673 WeakPolarHBondContact OG-CB 3.47Å; S670-L673 PolarHBondContact OG-N 3.19Å; S670-L673 PolarHBondContact OG-O 3.1Å; L673-V676 HydrophobicContact CD1-CG2 3.91Å; L673-V676 HydrophobicContact CD2-CG2 3.92Å; L673-V676 HydrophobicContact CG-CG2 3.61Å
674	K	95.2	Very high	97.7	Very high	68 Å²	68	32 Å²	32	30%	0.296	15%	0.15	S	C	.	.			trans	-117	152.5	-166.2	-56.6	-164.9	162.3	-62.4	0	111.8	E557 E669 S670 D671 V676	E557-K674 HydrophobicContact CG-CB 3.83Å; E557-K674 HydrophobicContact CG-CD 3.99Å; E557-K674 HydrophobicContact CG-CG 4.48Å; E669-K674 VanDerWaalsContact OE1-CB 3.28Å; E669-K674 WeakPolarHBondContact OE1-CB 3.44Å; E669-K674 VanDerWaalsContact OE1-CD 3.3Å; E669-K674 WeakPolarHBondContact OE1-CD 3.38Å; E669-K674 WeakPolarHBondContact OE1-CG 3.17Å; E669-K674 IonicContact OE1-NZ 2.87Å; E669-K674 PolarHBondContact OE1-NZ 2.87Å; S670-K674 PolarHBondContact O-NZ 2.91Å; D671-K674 WeakPolarHBondContact O-CE 3.41Å; K674-V676 PolarHBondContact O-N 3.17Å; K674-V676 VanDerWaalsContact O-N 3.08Å
675	A	94.9	Very high	97.6	Very high	1 Å²	1	33 Å²	33	1%	0.008	16%	0.162	C	C	.	.			trans	48.8	37.9	171.6	0	0	0	0	0	115.5	M252 N667 F668 E669 K677	M252-A675 HydrophobicContact CB-CB 3.54Å; M252-A675 WeakPolarHBondContact O-CB 3.45Å; N667-A675 WeakPolarHBondContact OD1-CA 3.26Å; F668-A675 PolarHBondContact O-N 3.47Å; E669-A675 PolarHBondContact OE2-N 3.36Å; A675-K677 WeakPolarHBondContact O-CG 3.46Å; A675-K677 PolarHBondContact O-N 2.72Å
676	V	98.2	Very high	97.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	127.1	175.5	179.7	0	0	0	0	108.6	N586 P587 I589 L609 N667 F668 L673 K674	N586-V676 HydrophobicContact CB-CG1 4.14Å; N586-V676 HydrophobicContact CB-CG2 4.21Å; P587-V676 HydrophobicContact CG-CG1 4.34Å; P587-V676 HydrophobicContact CG-CG2 4.43Å; P587-V676 VanDerWaalsContact O-CG1 3.3Å; P587-V676 WeakPolarHBondContact O-CG1 3.42Å; I589-V676 HydrophobicContact CD1-CB 4.34Å; I589-V676 HydrophobicContact CD1-CG1 3.81Å; I589-V676 WeakPolarHBondContact CD1-O 3.42Å; I589-V676 HydrophobicContact CG1-CG1 3.88Å; L609-V676 HydrophobicContact CD1-CG1 3.89Å; N667-V676 CarbonylContact C-O 3.57Å; N667-V676 WeakPolarHBondContact CA-O 3.33Å; F668-V676 HydrophobicContact CB-CB 4.18Å; F668-V676 HydrophobicContact CD1-CB 4.46Å; F668-V676 HydrophobicContact CD1-CG2 4.39Å; F668-V676 PolarHBondContact N-O 2.91Å; F668-V676 PolarHBondContact O-N 3.01Å; L673-V676 HydrophobicContact CD1-CG2 3.91Å; L673-V676 HydrophobicContact CD2-CG2 3.92Å; L673-V676 HydrophobicContact CG-CG2 3.61Å; K674-V676 PolarHBondContact O-N 3.17Å; K674-V676 VanDerWaalsContact O-N 3.08Å
677	K	98.1	Very high	96.9	Very high	31 Å²	31	42.5 Å²	42.5	14%	0.135	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.5	-171.5	-55.3	-60.5	-177.4	177.4	0	111.9	I178 P179 M252 S253 W254 I255 V666 N667 A675	I178-K677 HydrophobicContact CD1-CG 4.27Å; I178-K677 HydrophobicContact CG2-CG 4.05Å; P179-K677 HydrophobicContact CG-CB 4.31Å; M252-K677 WeakPolarHBondContact O-CE 3.48Å; M252-K677 PolarHBondContact O-NZ 3.27Å; S253-K677 PolarHBondContact O-NZ 3.27Å; S253-K677 VanDerWaalsContact O-NZ 3.16Å; W254-K677 PolarHBondContact O-NZ 3.3Å; I255-K677 HydrophobicContact CG2-CD 4.12Å; V666-K677 WeakPolarHBondContact O-CA 3.44Å; N667-K677 WeakPolarHBondContact OD1-CE 3.4Å; N667-K677 PolarHBondContact OD1-NZ 3.35Å; A675-K677 WeakPolarHBondContact O-CG 3.46Å; A675-K677 PolarHBondContact O-N 2.72Å
678	G	98.3	Very high	96.8	Very high	7 Å²	7	44.4 Å²	44.4	7%	0.072	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	155.8	173.1	0	0	0	0	0	110.8	V666	V666-G678 PolarHBondContact N-O 2.61Å; V666-G678 PolarHBondContact O-N 2.63Å
679	F	98.7	Very high	96.7	Very high	75 Å²	75	46.7 Å²	46.7	33%	0.329	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	158.4	170.6	75.8	-83.2	0	0	0	112.6	F166 P179 I591 K663 L664	F166-F679 AromaticContact CE1-CD1 3.82Å; F166-F679 HydrophobicContact CE1-CD1 3.82Å; F166-F679 HydrophobicContact CE1-CD2 4.4Å; F166-F679 AromaticContact CE1-CE1 3.71Å; F166-F679 HydrophobicContact CE1-CE1 3.71Å; F166-F679 HydrophobicContact CE1-CE2 4.32Å; F166-F679 HydrophobicContact CE1-CG 4.17Å; F166-F679 AromaticContact CE1-CZ 3.98Å; F166-F679 HydrophobicContact CE1-CZ 3.98Å; F166-F679 HydrophobicContact CZ-CD1 4.17Å; F166-F679 HydrophobicContact CZ-CD2 4.14Å; F166-F679 AromaticContact CZ-CE1 3.74Å; F166-F679 HydrophobicContact CZ-CE1 3.74Å; F166-F679 AromaticContact CZ-CE2 3.71Å; F166-F679 HydrophobicContact CZ-CE2 3.71Å; F166-F679 HydrophobicContact CZ-CG 4.36Å; F166-F679 AromaticContact CZ-CZ 3.5Å; F166-F679 HydrophobicContact CZ-CZ 3.5Å; P179-F679 HydrophobicContact CB-CB 3.63Å; P179-F679 HydrophobicContact CB-CD1 4.24Å; P179-F679 HydrophobicContact CB-CG 4.14Å; P179-F679 HydrophobicContact CG-CB 3.9Å; P179-F679 HydrophobicContact CG-CD1 4.3Å; I591-F679 VanDerWaalsContact CD1-C 3.47Å; K663-F679 HydrophobicContact CD-CB 4.1Å; K663-F679 HydrophobicContact CD-CD2 3.74Å; K663-F679 HydrophobicContact CD-CG 4.11Å; K663-F679 HydrophobicContact CG-CB 4.05Å; K663-F679 HydrophobicContact CG-CD2 3.84Å; K663-F679 HydrophobicContact CG-CG 4.33Å; L664-F679 CarbonylContact O-C 3.58Å; L664-F679 WeakPolarHBondContact O-CA 3.36Å; L664-F679 WeakPolarHBondContact O-CB 3.2Å
680	R	98.6	Very high	96.7	Very high	126 Å²	126	47.4 Å²	47.4	48%	0.475	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	127.9	171.8	-174.6	62.8	178.7	-129.2	5.5	110.6	I591 I593 L664 V682	I591-R680 HydrophobicContact CB-CB 4.03Å; I591-R680 HydrophobicContact CD1-CB 4.08Å; I591-R680 HydrophobicContact CG2-CB 3.72Å; I591-R680 HydrophobicContact CG2-CG 4.18Å; I591-R680 PolarHBondContact O-NH1 3.39Å; I593-R680 HydrophobicContact CG1-CG 4.35Å; L664-R680 PolarHBondContact N-O 3.21Å; L664-R680 PolarHBondContact O-N 2.87Å; R680-V682 HydrophobicContact CG-CG2 4.27Å
681	N	98.6	Very high	96.7	Very high	60 Å²	60	50 Å²	50	32%	0.321	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.5	166.7	-70.2	-24	0	0	0	109.7	D434 L661 H662 K663	D434-N681 PolarHBondContact OD2-ND2 2.98Å; L661-N681 HydrophobicContact CD1-CB 3.88Å; H662-N681 WeakPolarHBondContact O-CA 3.31Å; K663-N681 PolarHBondContact NZ-OD1 2.93Å
682	V	98.5	Very high	96.8	Very high	7 Å²	7	48.9 Å²	48.9	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122.7	-179.8	-171.8	0	0	0	0	108.1	I593 P597 L603 L629 H662 L664 R680 I684	I593-V682 HydrophobicContact CD1-CG2 3.89Å; I593-V682 HydrophobicContact CG1-CG2 4.01Å; P597-V682 HydrophobicContact CB-CG1 4.08Å; L603-V682 HydrophobicContact CD2-CG1 4.2Å; L629-V682 HydrophobicContact CD1-CB 4.24Å; L629-V682 HydrophobicContact CD1-CG2 4.19Å; L629-V682 HydrophobicContact CD2-CB 4.14Å; L629-V682 HydrophobicContact CD2-CG1 4.18Å; H662-V682 PolarHBondContact N-O 2.96Å; H662-V682 PolarHBondContact O-N 3.04Å; L664-V682 HydrophobicContact CB-CG2 4.42Å; R680-V682 HydrophobicContact CG-CG2 4.27Å; V682-I684 HydrophobicContact CG1-CD1 3.79Å
683	I	98.4	Very high	96.9	Very high	121 Å²	121	48.2 Å²	48.2	62%	0.621	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.7	176.6	-59.2	171.9	0	0	0	107.8	P597 G660 L661	P597-I683 WeakPolarHBondContact CB-O 3.45Å; P597-I683 WeakPolarHBondContact CG-O 3.27Å; G660-I683 WeakPolarHBondContact O-CA 3.38Å; L661-I683 HydrophobicContact CD1-CG1 3.88Å
684	I	98.6	Very high	96.9	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	117.2	179.3	-56.4	-57.7	0	0	0	109.3	P597 Q599 L603 L629 P656 H658 G660 V682	P597-I684 HydrophobicContact CB-CD1 3.75Å; Q599-I684 HydrophobicContact CB-CG2 4.24Å; Q599-I684 VanDerWaalsContact N-CG2 3.35Å; L603-I684 HydrophobicContact CD2-CD1 4.32Å; L629-I684 HydrophobicContact CD2-CD1 3.66Å; L629-I684 HydrophobicContact CD2-CG1 3.78Å; P656-I684 HydrophobicContact CB-CD1 3.59Å; P656-I684 HydrophobicContact CB-CG1 3.81Å; P656-I684 HydrophobicContact CB-CG2 4.14Å; P656-I684 HydrophobicContact CG-CD1 3.63Å; P656-I684 HydrophobicContact CG-CG1 4.4Å; H658-I684 WeakPolarHBondContact O-CB 3.34Å; H658-I684 WeakPolarHBondContact O-CG2 3.04Å; G660-I684 PolarHBondContact N-O 3.38Å; G660-I684 PolarHBondContact O-N 3.15Å; V682-I684 HydrophobicContact CG1-CD1 3.79Å
685	G	97.5	Very high	97	Very high	23 Å²	23	50.2 Å²	50.2	24%	0.237	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-78	170.9	173.4	0	0	0	0	0	113.3	P597 K598 Q599	P597-G685 PolarHBondContact O-N 3.49Å; K598-G685 WeakPolarHBondContact CA-O 3.32Å; Q599-G685 PolarHBondContact N-O 2.76Å
686	P	95.2	Very high	97.2	Very high	93 Å²	93	54.3 Å²	54.3	60%	0.604	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-61.5	156.7	172	28.3	-34.9	0	0	0	111.7	M659	M659-P686 HydrophobicContact SD-CB 3.85Å
687	A	88.1	Confident	97.1	Very high	105 Å²	105	59.3 Å²	59.3	87%	0.868	34%	0.339	S	S	*	.			trans	-54	0	-176.5	0	0	0	0	0	113.9

Retrieved 687 of 687 residues in 321.1 ms (Link to these results)

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