A0A077ZBQ2_TRITR Loading...

Dipeptidyl peptidase family

Removes N-terminal dipeptides sequentially from polypeptides. Essential for control of distal tip cell migration.

AlphaFold DB , UniProt , Accession A0A077ZBQ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 801 aa.

						>A0A077ZBQ2_TRITR|A0A077ZBQ2
MTGDAPQRNWWGIGIALLIILSIAAIISIAIVLLAPGSSNQYTGKQPISIEDIVTPKAVEANPQPKWMSSDTFAYKDSNCSIWSVHIKGEETTVTQLVDEQSCQNRKFSSFKPSPSGSCIAFAYRTRQIYRHSETARYNITCSLIGVDHDREYPVGPNKTGGELIQLFQWSPGSNDSFVRTFQDNFLKYSRLRFQVFVYNNNIYYQEHILSDAVQVTSSATERNYIRNGVADWVYEEEVLETSEALWWSYTGRLFAYATFDDRNVEKVILPYYPNDSVYPTNVEIAYPKVAASLPVISLYVWDKVTGQTLSVKPPPEVLELKEKYLFSVNWMQSSGTDESLLVVWANRVQNSVFIAYCKPPKYECILNYNQNYDDLWAEPPHYKIRFTDESKYYVILPQLVKESSSELEYRYSHVAQVTIPLSGQNGKATFLTHGSWEVSKIVGHSKKENRVVSANPNGDEPVCLTCNLTKLGCSYVAALFSHDGGHYILHCQGPDIPSVRLFSVGNEKPLFIVEDNSLLRKYFETKRFPDIQYKEVQLPNGYTALLKILYPPDFEEQSNKDFLPAVLKVYAGPNTQSVLERLDFSFDTYLASNRKYVVVYIDGRGSGARGSKYTSSVYRKLGFPEIQDQIEARSSFAYHYCFTNAVVLRIFISQSSLVDRQKTAVWGWSYGGFSTARIVQMNAFQTFKCAISVAPVTNFRLYDATYTERYLGLYENNVIGYDRTNVAKNVTAFGLGKYLLIHGSFDDNVHYQNTAAFVEALTAQNIKFQMMVYTNEKHSISNRRMHLNTLMDDFLVGCFA
					

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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	44.9	Very low	60.9	Low	249 Å²	249	154.2 Å²	154.2	100%	1.227	81%	0.805	S	S	*	*				0	98.6	0	-69	168.4	177.6	0	0	107.5
2	T	45.8	Very low	62.4	Low	138 Å²	138	144 Å²	144	85%	0.847	77%	0.765	S	S	*	*			trans	-89.5	113	174	40.9	0	0	0	0	107.9
3	G	47.2	Very low	63.8	Low	78 Å²	78	138.4 Å²	138.4	80%	0.804	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-89.8	118	173.7	0	0	0	0	0	109.9
4	D	52.6	Low	65.2	Low	160 Å²	160	131.2 Å²	131.2	86%	0.856	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-65.9	134.8	175.6	-72.3	-54.1	0	0	0	111.2
5	A	60.3	Low	66.6	Low	88 Å²	88	128.1 Å²	128.1	73%	0.727	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-72.6	138.9	175.4	0	0	0	0	0	110.4	Q7	A5-Q7 PolarHBondContact O-N 3.32Å
6	P	61.1	Low	67.7	Low	119 Å²	119	123 Å²	123	77%	0.773	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-63.7	127.6	-177.3	25.4	-34.1	0	0	0	111.3	R8	P6-R8 PolarHBondContact O-N 2.97Å
7	Q	61.8	Low	68.9	Low	196 Å²	196	121.8 Å²	121.8	92%	0.916	66%	0.664	S	S	*	*			trans	-59.5	111.5	174.8	-74.7	-173.9	-16.9	0	0	110.3	A5 N9	A5-Q7 PolarHBondContact O-N 3.32Å; Q7-N9 PolarHBondContact O-N 3.36Å
8	R	64.9	Low	70	Confident	171 Å²	171	121.8 Å²	121.8	65%	0.645	66%	0.662	S	S	*	*			trans	-67.1	126.5	171.1	-61.1	178	80.4	175	4.3	108.2	P6 W10	P6-R8 PolarHBondContact O-N 2.97Å; R8-W10 PolarHBondContact O-N 3.26Å
9	N	76.1	Confident	71.1	Confident	111 Å²	111	120.2 Å²	120.2	59%	0.594	65%	0.652	S	S	*	*			trans	-74.1	77.9	177.9	-174.8	-5.1	0	0	0	110.9	Q7 W11 G12 I13	Q7-N9 PolarHBondContact O-N 3.36Å; N9-W11 PolarHBondContact O-N 2.9Å; N9-W11 PolarHBondContact OD1-N 3.2Å; N9-G12 PolarHBondContact O-N 3.23Å; N9-G12 PolarHBondContact OD1-N 3.18Å; N9-I13 WeakPolarHBondContact O-CG1 3.2Å; N9-I13 PolarHBondContact O-N 3.47Å; N9-I13 VanDerWaalsContact O-N 3.13Å
10	W	78.8	Confident	72.2	Confident	181 Å²	181	119.6 Å²	119.6	69%	0.686	65%	0.648	S	S	*	*	H	α-helix	trans	-58.1	-30.1	177.9	-66.1	104	0	0	0	112.9	R8 I13 G14	R8-W10 PolarHBondContact O-N 3.26Å; W10-I13 PolarHBondContact O-N 3.41Å; W10-G14 PolarHBondContact O-N 2.93Å
11	W	76.2	Confident	73	Confident	205 Å²	205	119.8 Å²	119.8	78%	0.777	65%	0.648	S	S	*	*	H	α-helix	trans	-67.8	-45.6	177.5	-164.1	-92.9	0	0	0	111.8	N9 I13 G14 I15	N9-W11 PolarHBondContact O-N 2.9Å; N9-W11 PolarHBondContact OD1-N 3.2Å; W11-I13 PolarHBondContact O-N 2.9Å; W11-G14 PolarHBondContact O-N 3.48Å; W11-I15 WeakPolarHBondContact O-CG1 3.42Å; W11-I15 PolarHBondContact O-N 3.37Å
12	G	78.6	Confident	75	Confident	32 Å²	32	110.8 Å²	110.8	33%	0.33	61%	0.609	S	S	.	*	H	α-helix	trans	-62.9	-39.2	173.9	0	0	0	0	0	112.9	N9 A16	N9-G12 PolarHBondContact O-N 3.23Å; N9-G12 PolarHBondContact OD1-N 3.18Å; G12-A16 WeakPolarHBondContact O-CB 3.42Å; G12-A16 PolarHBondContact O-N 2.77Å
13	I	81.4	Confident	77.2	Confident	71 Å²	71	108.4 Å²	108.4	36%	0.364	59%	0.59	S	S	.	*	H	α-helix	trans	-64.4	-43.5	174.3	-64.6	167.1	0	0	0	110.7	N9 W10 W11 A16 L17	N9-I13 WeakPolarHBondContact O-CG1 3.2Å; N9-I13 PolarHBondContact O-N 3.47Å; N9-I13 VanDerWaalsContact O-N 3.13Å; W10-I13 PolarHBondContact O-N 3.41Å; W11-I13 PolarHBondContact O-N 2.9Å; I13-A16 PolarHBondContact O-N 3.24Å; I13-L17 HydrophobicContact CG2-CD1 4.05Å; I13-L17 WeakPolarHBondContact O-CG 3.46Å; I13-L17 PolarHBondContact O-N 3.32Å
14	G	82.8	Confident	79.1	Confident	38 Å²	38	106.9 Å²	106.9	39%	0.392	57%	0.57	S	S	.	*	H	α-helix	trans	-60.6	-47.6	176.8	0	0	0	0	0	112.8	W10 W11 A16 L17 L18	W10-G14 PolarHBondContact O-N 2.93Å; W11-G14 PolarHBondContact O-N 3.48Å; G14-A16 PolarHBondContact O-N 3.03Å; G14-L17 PolarHBondContact O-N 3.21Å; G14-L18 WeakPolarHBondContact O-CB 3.49Å; G14-L18 PolarHBondContact O-N 3.25Å
15	I	86.7	Confident	80.9	Confident	85 Å²	85	101.6 Å²	101.6	44%	0.436	55%	0.548	S	S	.	.	H	α-helix	trans	-60.8	-45.2	175.7	-70.2	172.6	0	0	0	111	W11 L17 L18 I19	W11-I15 WeakPolarHBondContact O-CG1 3.42Å; W11-I15 PolarHBondContact O-N 3.37Å; I15-L17 PolarHBondContact O-N 3.09Å; I15-L18 PolarHBondContact O-N 2.73Å; I15-I19 HydrophobicContact CG2-CD1 3.7Å; I15-I19 HydrophobicContact CG2-CG1 4.37Å; I15-I19 WeakPolarHBondContact O-CG1 3.47Å; I15-I19 PolarHBondContact O-N 3.35Å
16	A	84.3	Confident	82.3	Confident	46 Å²	46	102.4 Å²	102.4	38%	0.38	54%	0.54	S	S	.	.	H	α-helix	trans	-60.6	-44	179.3	0	0	0	0	0	112.2	G12 I13 G14 L18 I19 I20	G12-A16 WeakPolarHBondContact O-CB 3.42Å; G12-A16 PolarHBondContact O-N 2.77Å; I13-A16 PolarHBondContact O-N 3.24Å; G14-A16 PolarHBondContact O-N 3.03Å; A16-L18 PolarHBondContact O-N 3.22Å; A16-I19 PolarHBondContact O-N 2.95Å; A16-I20 WeakPolarHBondContact O-CD1 3.44Å; A16-I20 VanDerWaalsContact O-CG1 3.25Å; A16-I20 WeakPolarHBondContact O-CG1 3.4Å; A16-I20 PolarHBondContact O-N 3.42Å
17	L	87.4	Confident	83.5	Confident	102 Å²	102	101.1 Å²	101.1	53%	0.534	53%	0.525	S	S	.	.	H	α-helix	trans	-64	-38.5	176	-72.3	169.8	0	0	0	112.6	I13 G14 I15 I20 L21	I13-L17 HydrophobicContact CG2-CD1 4.05Å; I13-L17 WeakPolarHBondContact O-CG 3.46Å; I13-L17 PolarHBondContact O-N 3.32Å; G14-L17 PolarHBondContact O-N 3.21Å; I15-L17 PolarHBondContact O-N 3.09Å; L17-I20 PolarHBondContact O-N 3.33Å; L17-L21 WeakPolarHBondContact O-CB 3.42Å; L17-L21 PolarHBondContact O-N 2.83Å
18	L	88.9	Confident	84.4	Confident	122 Å²	122	95 Å²	95	64%	0.639	50%	0.504	S	S	*	.	H	α-helix	trans	-68.3	-39.6	178.3	-143.8	169.2	0	0	0	111.4	G14 I15 A16 L21 S22	G14-L18 WeakPolarHBondContact O-CB 3.49Å; G14-L18 PolarHBondContact O-N 3.25Å; I15-L18 PolarHBondContact O-N 2.73Å; A16-L18 PolarHBondContact O-N 3.22Å; L18-L21 PolarHBondContact O-N 3.35Å; L18-S22 WeakPolarHBondContact O-CB 3.47Å; L18-S22 PolarHBondContact O-N 3.48Å
19	I	91.9	Very high	85.2	Confident	92 Å²	92	91.7 Å²	91.7	47%	0.472	50%	0.498	S	S	.	.	H	α-helix	trans	-63.9	-44.2	172.5	-69.2	169.9	0	0	0	110.9	I15 A16 L21 S22 I23	I15-I19 HydrophobicContact CG2-CD1 3.7Å; I15-I19 HydrophobicContact CG2-CG1 4.37Å; I15-I19 WeakPolarHBondContact O-CG1 3.47Å; I15-I19 PolarHBondContact O-N 3.35Å; A16-I19 PolarHBondContact O-N 2.95Å; I19-L21 PolarHBondContact O-N 2.92Å; I19-S22 PolarHBondContact O-N 3.28Å; I19-I23 HydrophobicContact CG2-CD1 3.71Å; I19-I23 HydrophobicContact CG2-CG1 4.4Å; I19-I23 WeakPolarHBondContact O-CB 3.37Å; I19-I23 WeakPolarHBondContact O-CG1 3.48Å; I19-I23 PolarHBondContact O-N 3.32Å
20	I	91.4	Very high	85.4	Confident	108 Å²	108	88.2 Å²	88.2	55%	0.554	49%	0.485	S	S	*	.	H	α-helix	trans	-61.9	-43.7	177.2	-70.2	163.6	0	0	0	111.1	A16 L17 I23 A24	A16-I20 WeakPolarHBondContact O-CD1 3.44Å; A16-I20 VanDerWaalsContact O-CG1 3.25Å; A16-I20 WeakPolarHBondContact O-CG1 3.4Å; A16-I20 PolarHBondContact O-N 3.42Å; L17-I20 PolarHBondContact O-N 3.33Å; I20-I23 PolarHBondContact O-N 2.82Å; I20-A24 VanDerWaalsContact O-CB 3.26Å; I20-A24 WeakPolarHBondContact O-CB 3.29Å; I20-A24 PolarHBondContact O-N 2.92Å
21	L	89.5	Confident	85.4	Confident	124 Å²	124	84.8 Å²	84.8	65%	0.649	48%	0.478	S	S	*	.	H	α-helix	trans	-62.5	-42.4	174.9	-88.3	163.3	0	0	0	112.4	L17 L18 I19 A24 A25	L17-L21 WeakPolarHBondContact O-CB 3.42Å; L17-L21 PolarHBondContact O-N 2.83Å; L18-L21 PolarHBondContact O-N 3.35Å; I19-L21 PolarHBondContact O-N 2.92Å; L21-A24 PolarHBondContact O-N 3.4Å; L21-A25 WeakPolarHBondContact O-CB 3.37Å; L21-A25 PolarHBondContact O-N 3.4Å
22	S	88.2	Confident	85.3	Confident	59 Å²	59	80.6 Å²	80.6	41%	0.413	48%	0.476	S	S	.	.	H	α-helix	trans	-60.8	-49.1	175.6	-179.3	0	0	0	0	111.7	L18 I19 A24 A25 I26	L18-S22 WeakPolarHBondContact O-CB 3.47Å; L18-S22 PolarHBondContact O-N 3.48Å; I19-S22 PolarHBondContact O-N 3.28Å; S22-A24 PolarHBondContact O-N 2.73Å; S22-A25 PolarHBondContact O-N 3.05Å; S22-I26 VanDerWaalsContact O-CG1 3.29Å; S22-I26 WeakPolarHBondContact O-CG1 3.35Å; S22-I26 PolarHBondContact O-N 2.71Å
23	I	91.6	Very high	85	Confident	88 Å²	88	85.5 Å²	85.5	45%	0.451	49%	0.494	S	S	.	.	H	α-helix	trans	-63.7	-43.3	178.1	-68.6	170.5	0	0	0	110.9	I19 I20 A25 I26 I27	I19-I23 HydrophobicContact CG2-CD1 3.71Å; I19-I23 HydrophobicContact CG2-CG1 4.4Å; I19-I23 WeakPolarHBondContact O-CB 3.37Å; I19-I23 WeakPolarHBondContact O-CG1 3.48Å; I19-I23 PolarHBondContact O-N 3.32Å; I20-I23 PolarHBondContact O-N 2.82Å; I23-A25 PolarHBondContact O-N 3Å; I23-I26 PolarHBondContact O-N 2.74Å; I23-I27 HydrophobicContact CG2-CD1 3.67Å; I23-I27 HydrophobicContact CG2-CG1 4.34Å; I23-I27 WeakPolarHBondContact O-CB 3.25Å; I23-I27 VanDerWaalsContact O-CG1 3.29Å; I23-I27 WeakPolarHBondContact O-CG1 3.42Å; I23-I27 PolarHBondContact O-N 3.3Å
24	A	87	Confident	84.4	Confident	47 Å²	47	89 Å²	89	39%	0.388	51%	0.512	S	S	.	.	H	α-helix	trans	-62.7	-39.7	176.6	0	0	0	0	0	112.5	I20 L21 S22 S28	I20-A24 VanDerWaalsContact O-CB 3.26Å; I20-A24 WeakPolarHBondContact O-CB 3.29Å; I20-A24 PolarHBondContact O-N 2.92Å; L21-A24 PolarHBondContact O-N 3.4Å; S22-A24 PolarHBondContact O-N 2.73Å; A24-S28 WeakPolarHBondContact O-CB 3.45Å; A24-S28 PolarHBondContact O-N 3.29Å; A24-S28 PolarHBondContact O-OG 3.07Å
25	A	90.3	Very high	83.1	Confident	48 Å²	48	89.8 Å²	89.8	40%	0.397	52%	0.515	S	S	.	.	H	α-helix	trans	-65.7	-44.6	174.3	0	0	0	0	0	111.8	L21 S22 I23 S28 I29	L21-A25 WeakPolarHBondContact O-CB 3.37Å; L21-A25 PolarHBondContact O-N 3.4Å; S22-A25 PolarHBondContact O-N 3.05Å; I23-A25 PolarHBondContact O-N 3Å; A25-S28 PolarHBondContact O-N 2.85Å; A25-I29 WeakPolarHBondContact O-CB 3.4Å; A25-I29 VanDerWaalsContact O-CG1 3.31Å; A25-I29 WeakPolarHBondContact O-CG1 3.5Å; A25-I29 PolarHBondContact O-N 3.13Å
26	I	89.8	Confident	81.4	Confident	106 Å²	106	90.6 Å²	90.6	54%	0.544	53%	0.525	S	S	.	.	H	α-helix	trans	-62.4	-44.3	176.8	-69.2	164.1	0	0	0	111	S22 I23 S28 I29 A30	S22-I26 VanDerWaalsContact O-CG1 3.29Å; S22-I26 WeakPolarHBondContact O-CG1 3.35Å; S22-I26 PolarHBondContact O-N 2.71Å; I23-I26 PolarHBondContact O-N 2.74Å; I26-S28 VanDerWaalsContact C-N 3.34Å; I26-S28 PolarHBondContact O-N 3.04Å; I26-I29 PolarHBondContact O-N 3.14Å; I26-A30 VanDerWaalsContact O-CB 3.28Å; I26-A30 WeakPolarHBondContact O-CB 3.4Å; I26-A30 PolarHBondContact O-N 3.23Å
27	I	86.8	Confident	79.5	Confident	92 Å²	92	91.9 Å²	91.9	47%	0.472	54%	0.543	S	S	.	.	H	α-helix	trans	-62.7	-41.3	174.9	-70.7	169.9	0	0	0	110.7	I23 A30 I31	I23-I27 HydrophobicContact CG2-CD1 3.67Å; I23-I27 HydrophobicContact CG2-CG1 4.34Å; I23-I27 WeakPolarHBondContact O-CB 3.25Å; I23-I27 VanDerWaalsContact O-CG1 3.29Å; I23-I27 WeakPolarHBondContact O-CG1 3.42Å; I23-I27 PolarHBondContact O-N 3.3Å; I27-A30 PolarHBondContact O-N 3.42Å; I27-I31 HydrophobicContact CG2-CD1 3.74Å; I27-I31 HydrophobicContact CG2-CG1 4.4Å; I27-I31 WeakPolarHBondContact O-CB 3.19Å; I27-I31 VanDerWaalsContact O-CG1 3.26Å; I27-I31 WeakPolarHBondContact O-CG1 3.36Å; I27-I31 PolarHBondContact O-N 2.84Å
28	S	79.6	Confident	77.5	Confident	66 Å²	66	92 Å²	92	46%	0.462	55%	0.553	S	S	.	*	H	α-helix	trans	-65.1	-42.8	178.3	-57.4	0	0	0	0	111.9	A24 A25 I26 I31 V32	A24-S28 WeakPolarHBondContact O-CB 3.45Å; A24-S28 PolarHBondContact O-N 3.29Å; A24-S28 PolarHBondContact O-OG 3.07Å; A25-S28 PolarHBondContact O-N 2.85Å; I26-S28 VanDerWaalsContact C-N 3.34Å; I26-S28 PolarHBondContact O-N 3.04Å; S28-I31 PolarHBondContact O-N 2.85Å; S28-V32 WeakPolarHBondContact O-CG2 3.44Å; S28-V32 PolarHBondContact O-N 2.94Å
29	I	82	Confident	75.4	Confident	102 Å²	102	88.5 Å²	88.5	52%	0.523	54%	0.539	S	S	.	.	H	α-helix	trans	-64.9	-42.9	175	-69.6	164.6	0	0	0	110.5	A25 I26 I31 V32 L33	A25-I29 WeakPolarHBondContact O-CB 3.4Å; A25-I29 VanDerWaalsContact O-CG1 3.31Å; A25-I29 WeakPolarHBondContact O-CG1 3.5Å; A25-I29 PolarHBondContact O-N 3.13Å; I26-I29 PolarHBondContact O-N 3.14Å; I29-I31 PolarHBondContact O-N 3.44Å; I29-V32 PolarHBondContact O-N 3.39Å; I29-L33 HydrophobicContact CG2-CD1 3.72Å; I29-L33 HydrophobicContact CG2-CG 4.32Å; I29-L33 WeakPolarHBondContact O-CB 3.33Å; I29-L33 WeakPolarHBondContact O-CG 3.2Å; I29-L33 PolarHBondContact O-N 3.37Å
30	A	81.2	Confident	73.2	Confident	38 Å²	38	90.7 Å²	90.7	31%	0.314	55%	0.551	S	S	.	*	H	α-helix	trans	-62.2	-41	175.4	0	0	0	0	0	111.9	I26 I27 L33 L34	I26-A30 VanDerWaalsContact O-CB 3.28Å; I26-A30 WeakPolarHBondContact O-CB 3.4Å; I26-A30 PolarHBondContact O-N 3.23Å; I27-A30 PolarHBondContact O-N 3.42Å; A30-L33 PolarHBondContact O-N 2.94Å; A30-L34 HydrophobicContact CB-CD1 4.45Å; A30-L34 WeakPolarHBondContact O-CB 3.3Å; A30-L34 VanDerWaalsContact O-CG 3.26Å; A30-L34 WeakPolarHBondContact O-CG 3.38Å; A30-L34 PolarHBondContact O-N 2.93Å
31	I	78	Confident	71.3	Confident	109 Å²	109	91.9 Å²	91.9	56%	0.559	55%	0.554	S	S	*	*	H	α-helix	trans	-63.7	-41.1	173.9	-71.2	166.3	0	0	0	110.9	I27 S28 I29 A35	I27-I31 HydrophobicContact CG2-CD1 3.74Å; I27-I31 HydrophobicContact CG2-CG1 4.4Å; I27-I31 WeakPolarHBondContact O-CB 3.19Å; I27-I31 VanDerWaalsContact O-CG1 3.26Å; I27-I31 WeakPolarHBondContact O-CG1 3.36Å; I27-I31 PolarHBondContact O-N 2.84Å; S28-I31 PolarHBondContact O-N 2.85Å; I29-I31 PolarHBondContact O-N 3.44Å; I31-A35 WeakPolarHBondContact O-CB 3.5Å; I31-A35 PolarHBondContact O-N 3.26Å
32	V	73.1	Confident	69.6	Low	118 Å²	118	88.8 Å²	88.8	72%	0.715	53%	0.534	S	S	*	.	H	α-helix	trans	-69.7	-30.4	177.6	171	0	0	0	0	112.7	S28 I29	S28-V32 WeakPolarHBondContact O-CG2 3.44Å; S28-V32 PolarHBondContact O-N 2.94Å; I29-V32 PolarHBondContact O-N 3.39Å
33	L	73.1	Confident	68.2	Low	135 Å²	135	91.4 Å²	91.4	71%	0.707	55%	0.548	S	S	*	.	H	α-helix	trans	-87.3	-23.2	178	-68.6	173.7	0	0	0	114.3	I29 A30	I29-L33 HydrophobicContact CG2-CD1 3.72Å; I29-L33 HydrophobicContact CG2-CG 4.32Å; I29-L33 WeakPolarHBondContact O-CB 3.33Å; I29-L33 WeakPolarHBondContact O-CG 3.2Å; I29-L33 PolarHBondContact O-N 3.37Å; A30-L33 PolarHBondContact O-N 2.94Å
34	L	67.8	Low	67.4	Low	145 Å²	145	90.7 Å²	90.7	76%	0.759	56%	0.563	S	S	*	*	H	α-helix	trans	-109.5	-10.8	-178	-61.5	172.3	0	0	0	113.7	A30	A30-L34 HydrophobicContact CB-CD1 4.45Å; A30-L34 WeakPolarHBondContact O-CB 3.3Å; A30-L34 VanDerWaalsContact O-CG 3.26Å; A30-L34 WeakPolarHBondContact O-CG 3.38Å; A30-L34 PolarHBondContact O-N 2.93Å
35	A	57.2	Low	67.4	Low	54 Å²	54	91.8 Å²	91.8	45%	0.446	56%	0.558	S	S	.	*	S	Bend	trans	-59.3	127	161.7	0	0	0	0	0	107.7	I31 G37	I31-A35 WeakPolarHBondContact O-CB 3.5Å; I31-A35 PolarHBondContact O-N 3.26Å; A35-G37 PolarHBondContact O-N 3.11Å
36	P	50.2	Low	67.6	Low	101 Å²	101	95.1 Å²	95.1	66%	0.656	57%	0.566	S	S	*	*			trans	-58.3	120.4	173.7	25.1	-32.6	0	0	0	107.4	S38	P36-S38 PolarHBondContact O-N 3.25Å
37	G	45.3	Very low	67.7	Low	73 Å²	73	92.2 Å²	92.2	75%	0.753	55%	0.554	S	S	*	*			trans	-64.6	95.6	-174.1	0	0	0	0	0	109.9	A35 S39	A35-G37 PolarHBondContact O-N 3.11Å; G37-S39 WeakPolarHBondContact O-CA 3.42Å; G37-S39 PolarHBondContact O-N 2.99Å
38	S	43.6	Very low	68.1	Low	105 Å²	105	87.9 Å²	87.9	73%	0.734	53%	0.532	S	S	*	.			trans	-49.2	114.4	-177.1	58.1	0	0	0	0	109.1	P36 N40	P36-S38 PolarHBondContact O-N 3.25Å; S38-N40 PolarHBondContact O-N 3.4Å; S38-N40 VanDerWaalsContact O-N 3.17Å
39	S	45.9	Very low	68.9	Low	49 Å²	49	86.3 Å²	86.3	34%	0.343	52%	0.521	S	S	.	.			trans	-60.7	122.2	-154.3	70.2	0	0	0	0	111.7	G37 Q41 Y42 D554	G37-S39 WeakPolarHBondContact O-CA 3.42Å; G37-S39 PolarHBondContact O-N 2.99Å; S39-Q41 PolarHBondContact O-N 3.5Å; S39-Y42 PolarHBondContact O-N 3.23Å; S39-Y42 WeakPolarHBondContact OG-CD2 3.25Å; S39-D554 PolarHBondContact OG-OD1 2.78Å
40	N	46.4	Very low	69.6	Low	138 Å²	138	82 Å²	82	74%	0.738	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	7.5	178.3	-81.5	-25.9	0	0	0	113.3	S38 Y42 T43	S38-N40 PolarHBondContact O-N 3.4Å; S38-N40 VanDerWaalsContact O-N 3.17Å; N40-Y42 PolarHBondContact O-N 2.93Å; N40-T43 PolarHBondContact O-OG1 3.26Å
41	Q	51.5	Low	70.2	Confident	132 Å²	132	85.2 Å²	85.2	62%	0.617	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-11.7	173.3	-66	-170.7	-6.9	0	0	113.8	S39 K45	S39-Q41 PolarHBondContact O-N 3.5Å; Q41-K45 WeakPolarHBondContact O-CD 3.25Å; Q41-K45 WeakPolarHBondContact O-CE 3.31Å; Q41-K45 PolarHBondContact O-NZ 2.88Å
42	Y	53.1	Low	71	Confident	59 Å²	59	80.2 Å²	80.2	23%	0.231	48%	0.482	C	S	.	.			trans	-120.8	-1.3	-170.4	-68.1	-73.3	0	0	0	116.2	S39 N40 G44 K45 R528 D554	S39-Y42 PolarHBondContact O-N 3.23Å; S39-Y42 WeakPolarHBondContact OG-CD2 3.25Å; N40-Y42 PolarHBondContact O-N 2.93Å; Y42-G44 PolarHBondContact O-N 2.65Å; Y42-K45 HydrophobicContact CD1-CB 4.13Å; Y42-K45 HydrophobicContact CD1-CD 3.72Å; Y42-K45 HydrophobicContact CD1-CG 4.43Å; Y42-K45 HydrophobicContact CE1-CD 4.11Å; Y42-K45 PolarHBondContact O-N 3.5Å; Y42-R528 HydrophobicContact CD1-CG 3.72Å; Y42-R528 HydrophobicContact CE1-CB 4.42Å; Y42-R528 HydrophobicContact CE1-CG 4.07Å; Y42-D554 WeakPolarHBondContact CD2-OD1 3.42Å; Y42-D554 VanDerWaalsContact CD2-OD2 3.26Å; Y42-D554 WeakPolarHBondContact CD2-OD2 3.46Å; Y42-D554 WeakPolarHBondContact CE2-OD1 3.4Å; Y42-D554 WeakPolarHBondContact CE2-OD2 3.5Å
43	T	58.1	Low	72	Confident	115 Å²	115	75.9 Å²	75.9	71%	0.706	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	105.4	173.2	47	0	0	0	0	110.7	N40	N40-T43 PolarHBondContact O-OG1 3.26Å
44	G	74.5	Confident	72.9	Confident	73 Å²	73	71.3 Å²	71.3	75%	0.753	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.9	-11.5	-177.3	0	0	0	0	0	115.7	Y42	Y42-G44 PolarHBondContact O-N 2.65Å
45	K	88.8	Confident	74	Confident	69 Å²	69	68.4 Å²	68.4	30%	0.3	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-83.5	135.8	-179.7	-63.4	-171.7	-174.7	169.6	0	112.1	Q41 Y42 E525 T526 R528	Q41-K45 WeakPolarHBondContact O-CD 3.25Å; Q41-K45 WeakPolarHBondContact O-CE 3.31Å; Q41-K45 PolarHBondContact O-NZ 2.88Å; Y42-K45 HydrophobicContact CD1-CB 4.13Å; Y42-K45 HydrophobicContact CD1-CD 3.72Å; Y42-K45 HydrophobicContact CD1-CG 4.43Å; Y42-K45 HydrophobicContact CE1-CD 4.11Å; Y42-K45 PolarHBondContact O-N 3.5Å; K45-E525 VanDerWaalsContact CD-O 3.27Å; K45-E525 WeakPolarHBondContact CD-O 3.5Å; K45-E525 WeakPolarHBondContact CE-O 3.38Å; K45-E525 WeakPolarHBondContact CG-O 3.5Å; K45-T526 CarbonylContact C-O 3.6Å; K45-T526 WeakPolarHBondContact CA-O 3.27Å; K45-R528 HydrophobicContact CB-CG 3.81Å
46	Q	92.7	Very high	75.3	Confident	119 Å²	119	67.9 Å²	67.9	56%	0.556	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	148	-177.7	-65.3	-67.4	-30	0	0	111.5	T526 K527 R528	Q46-T526 PolarHBondContact N-O 2.9Å; Q46-K527 HydrophobicContact CB-CD 4.45Å; Q46-K527 CarbonylContact O-C 3.6Å; Q46-K527 VanDerWaalsContact O-CA 3.28Å; Q46-K527 WeakPolarHBondContact O-CA 3.34Å; Q46-R528 PolarHBondContact O-N 3.37Å
47	P	93.5	Very high	77.1	Confident	45 Å²	45	71.6 Å²	71.6	29%	0.292	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	157.6	161	-22.7	34.7	0	0	0	112	N594	P47-N594 HydrophobicContact CB-CB 4.36Å
48	I	95.2	Very high	79.1	Confident	0 Å²	0	69 Å²	69	0%	0	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-68	142.3	168.1	-59.6	167.4	0	0	0	108	D52 I53 K527 F529 F585 Y590 S593 N594	I48-D52 HydrophobicContact CG2-CB 4.32Å; I48-I53 HydrophobicContact CG2-CD1 3.75Å; I48-I53 HydrophobicContact CG2-CG1 3.98Å; I48-K527 HydrophobicContact CG1-CB 4.42Å; I48-F529 HydrophobicContact CD1-CD1 4.21Å; I48-F529 HydrophobicContact CD1-CE1 4.23Å; I48-F585 HydrophobicContact CD1-CD2 4.3Å; I48-F585 HydrophobicContact CD1-CE2 3.67Å; I48-F585 HydrophobicContact CG1-CE2 3.92Å; I48-F585 HydrophobicContact CG1-CZ 4.43Å; I48-F585 HydrophobicContact CG2-CE2 3.9Å; I48-F585 HydrophobicContact CG2-CZ 3.91Å; I48-Y590 WeakPolarHBondContact O-CD2 3.37Å; I48-S593 PolarHBondContact N-OG 2.77Å; I48-N594 WeakPolarHBondContact O-CB 3.45Å; I48-N594 PolarHBondContact O-ND2 3.36Å
49	S	95.8	Very high	81.1	Confident	34 Å²	34	68.9 Å²	68.9	24%	0.238	38%	0.384	C	S	.	.			trans	-118.5	168.2	175.4	64.9	0	0	0	0	111.2	E51 D52 I53	S49-E51 VanDerWaalsContact C-N 3.34Å; S49-D52 WeakPolarHBondContact CB-OD2 3.25Å; S49-D52 PolarHBondContact N-OD2 3.06Å; S49-D52 PolarHBondContact O-N 2.77Å; S49-D52 VanDerWaalsContact O-N 3.16Å; S49-D52 PolarHBondContact OG-N 2.98Å; S49-D52 PolarHBondContact OG-OD2 2.76Å; S49-I53 PolarHBondContact O-N 2.96Å
50	I	96.3	Very high	83.2	Confident	12 Å²	12	71 Å²	71	6%	0.062	39%	0.388	C	S	.	.	H	α-helix	trans	-64.2	-41.6	175.9	-58.4	179.6	0	0	0	110.1	D52 I53 V54 Y590 M786 N789 D793	I50-D52 VanDerWaalsContact C-N 3.29Å; I50-D52 PolarHBondContact O-N 3.03Å; I50-I53 PolarHBondContact O-N 3.22Å; I50-I53 VanDerWaalsContact O-N 3.1Å; I50-V54 HydrophobicContact CG2-CG2 3.93Å; I50-V54 WeakPolarHBondContact O-CB 3.25Å; I50-V54 WeakPolarHBondContact O-CG2 3.35Å; I50-V54 PolarHBondContact O-N 2.8Å; I50-Y590 HydrophobicContact CD1-CE1 4.13Å; I50-Y590 HydrophobicContact CD1-CE2 4.5Å; I50-Y590 HydrophobicContact CG1-CD1 4.17Å; I50-Y590 HydrophobicContact CG1-CD2 3.99Å; I50-Y590 HydrophobicContact CG1-CE1 4Å; I50-Y590 HydrophobicContact CG1-CE2 3.79Å; I50-Y590 HydrophobicContact CG1-CG 4.18Å; I50-M786 HydrophobicContact CB-SD 4.36Å; I50-M786 HydrophobicContact CG2-CE 4.43Å; I50-M786 HydrophobicContact CG2-SD 3.58Å; I50-M786 VanDerWaalsContact CG2-SD 3.58Å; I50-N789 HydrophobicContact CD1-CB 4.37Å; I50-N789 HydrophobicContact CG2-CB 3.57Å; I50-D793 HydrophobicContact CD1-CB 4.25Å
51	E	94.9	Very high	85.4	Confident	105 Å²	105	65.5 Å²	65.5	49%	0.491	36%	0.362	S	S	.	.	H	α-helix	trans	-51	-41.1	168.1	-93.8	66.3	-162.6	0	0	113.8	S49 I53 T55 M786	S49-E51 VanDerWaalsContact C-N 3.34Å; E51-I53 VanDerWaalsContact C-N 3.3Å; E51-I53 PolarHBondContact O-N 2.02Å; E51-T55 CarbonylContact O-C 3.52Å; E51-T55 VanDerWaalsContact O-CA 3.27Å; E51-T55 WeakPolarHBondContact O-CA 3.47Å; E51-T55 PolarHBondContact O-N 2.84Å; E51-T55 VanDerWaalsContact O-O 3.1Å; E51-T55 PolarHBondContact O-OG1 3.13Å; E51-M786 VanDerWaalsContact CD-CE 3.43Å; E51-M786 HydrophobicContact CG-CE 3.98Å; E51-M786 WeakPolarHBondContact OE1-CE 3.35Å
52	D	94.3	Very high	87.2	Confident	4 Å²	4	63.7 Å²	63.7	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-65.5	-35.6	179.3	-62.4	-63.4	0	0	0	111.5	I48 S49 I50 P56 Y523 K527 F585	I48-D52 HydrophobicContact CG2-CB 4.32Å; S49-D52 WeakPolarHBondContact CB-OD2 3.25Å; S49-D52 PolarHBondContact N-OD2 3.06Å; S49-D52 PolarHBondContact O-N 2.77Å; S49-D52 VanDerWaalsContact O-N 3.16Å; S49-D52 PolarHBondContact OG-N 2.98Å; S49-D52 PolarHBondContact OG-OD2 2.76Å; I50-D52 VanDerWaalsContact C-N 3.29Å; I50-D52 PolarHBondContact O-N 3.03Å; D52-P56 WeakPolarHBondContact O-CA 3.39Å; D52-P56 WeakPolarHBondContact O-CB 3.08Å; D52-P56 WeakPolarHBondContact O-CD 3.14Å; D52-Y523 WeakPolarHBondContact CA-OH 3.39Å; D52-Y523 VanDerWaalsContact CB-OH 3.28Å; D52-Y523 WeakPolarHBondContact CB-OH 3.18Å; D52-Y523 VanDerWaalsContact CG-OH 3.29Å; D52-Y523 PolarHBondContact OD1-OH 2.79Å; D52-K527 WeakPolarHBondContact OD1-CE 3.4Å; D52-K527 IonicContact OD1-NZ 4Å; D52-K527 PolarHBondContact OD1-NZ 2.93Å; D52-K527 WeakPolarHBondContact OD2-CE 3.33Å; D52-K527 IonicContact OD2-NZ 2.89Å; D52-K527 PolarHBondContact OD2-NZ 2.97Å; D52-F585 HydrophobicContact CB-CE1 4.18Å; D52-F585 HydrophobicContact CB-CZ 4.01Å; D52-F585 WeakPolarHBondContact O-CE1 3.46Å
53	I	93.2	Very high	89.1	Confident	27 Å²	27	61 Å²	61	14%	0.138	35%	0.346	C	S	.	.	H	α-helix	trans	-81.7	-38.4	-178.8	-69.3	151	0	0	0	112.1	I48 S49 I50 E51 F585 S586 Y590	I48-I53 HydrophobicContact CG2-CD1 3.75Å; I48-I53 HydrophobicContact CG2-CG1 3.98Å; S49-I53 PolarHBondContact O-N 2.96Å; I50-I53 PolarHBondContact O-N 3.22Å; I50-I53 VanDerWaalsContact O-N 3.1Å; E51-I53 VanDerWaalsContact C-N 3.3Å; E51-I53 PolarHBondContact O-N 2.02Å; I53-F585 HydrophobicContact CG1-CD1 4.16Å; I53-F585 HydrophobicContact CG1-CE1 4.13Å; I53-F585 HydrophobicContact CG1-CZ 4.48Å; I53-S586 WeakPolarHBondContact CD1-O 3.24Å; I53-Y590 HydrophobicContact CD1-CG 4.44Å
54	V	92.7	Very high	90.7	Very high	38 Å²	38	57.7 Å²	57.7	23%	0.23	32%	0.323	C	S	.	.	H	α-helix	trans	-90.7	-32.1	-173.4	178.8	0	0	0	0	112.2	I50 P56 R785 M786 N789	I50-V54 HydrophobicContact CG2-CG2 3.93Å; I50-V54 WeakPolarHBondContact O-CB 3.25Å; I50-V54 WeakPolarHBondContact O-CG2 3.35Å; I50-V54 PolarHBondContact O-N 2.8Å; V54-P56 VanDerWaalsContact C-CD 3.42Å; V54-R785 HydrophobicContact CG1-CB 4.04Å; V54-R785 HydrophobicContact CG1-CG 4.5Å; V54-R785 HydrophobicContact CG2-CB 4.32Å; V54-R785 HydrophobicContact CG2-CG 3.99Å; V54-M786 HydrophobicContact CB-CE 4.03Å; V54-M786 HydrophobicContact CG1-CB 4.04Å; V54-M786 HydrophobicContact CG1-CE 4.17Å; V54-N789 VanDerWaalsContact CG2-ND2 3.33Å; V54-N789 WeakPolarHBondContact CG2-ND2 3.45Å
55	T	90.7	Very high	91.7	Very high	85 Å²	85	54.8 Å²	54.8	52%	0.521	29%	0.291	S	S	.	.	S	Bend	trans	-133.7	58.7	178.7	47.5	0	0	0	0	110.7	E51 K57	E51-T55 CarbonylContact O-C 3.52Å; E51-T55 VanDerWaalsContact O-CA 3.27Å; E51-T55 WeakPolarHBondContact O-CA 3.47Å; E51-T55 PolarHBondContact O-N 2.84Å; E51-T55 VanDerWaalsContact O-O 3.1Å; E51-T55 PolarHBondContact O-OG1 3.13Å; T55-K57 PolarHBondContact O-N 2.81Å
56	P	85.4	Confident	92	Very high	42 Å²	42	54.4 Å²	54.4	27%	0.273	29%	0.289	S	S	.	.			trans	-53.7	134.4	-175.9	14.7	-27.9	0	0	0	113.5	D52 V54 A58 V59 Y523	D52-P56 WeakPolarHBondContact O-CA 3.39Å; D52-P56 WeakPolarHBondContact O-CB 3.08Å; D52-P56 WeakPolarHBondContact O-CD 3.14Å; V54-P56 VanDerWaalsContact C-CD 3.42Å; P56-A58 VanDerWaalsContact C-N 3.28Å; P56-A58 WeakPolarHBondContact CB-O 3.47Å; P56-A58 PolarHBondContact O-N 2.85Å; P56-V59 HydrophobicContact CG-CG2 4.28Å; P56-Y523 HydrophobicContact CB-CE1 4.42Å
57	K	87.4	Confident	92	Very high	180 Å²	180	50.1 Å²	50.1	78%	0.783	27%	0.268	S	S	*	.	S	Bend	trans	-72.4	-21.3	179.1	-59.6	-171.5	-179.5	-174.8	0	113.5	T55 Y523	T55-K57 PolarHBondContact O-N 2.81Å; K57-Y523 HydrophobicContact CB-CD2 4.27Å; K57-Y523 HydrophobicContact CB-CE1 4.37Å; K57-Y523 HydrophobicContact CB-CE2 3.8Å; K57-Y523 HydrophobicContact CD-CE2 4.26Å; K57-Y523 HydrophobicContact CG-CE2 4.16Å; K57-Y523 PolarHBondContact N-OH 2.81Å
58	A	87.3	Confident	91.8	Very high	17 Å²	17	48.8 Å²	48.8	14%	0.14	26%	0.258	C	S	.	.	S	Bend	trans	-136.2	133.1	164	0	0	0	0	0	107.6	P56 L520 Y523	P56-A58 VanDerWaalsContact C-N 3.28Å; P56-A58 WeakPolarHBondContact CB-O 3.47Å; P56-A58 PolarHBondContact O-N 2.85Å; A58-L520 HydrophobicContact CB-CD1 4.39Å; A58-L520 VanDerWaalsContact O-CD1 3.31Å; A58-L520 WeakPolarHBondContact O-CD1 3.38Å; A58-Y523 HydrophobicContact CB-CD1 3.81Å; A58-Y523 HydrophobicContact CB-CG 4.09Å
59	V	85.6	Confident	91.4	Very high	103 Å²	103	50.4 Å²	50.4	62%	0.624	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-102.6	154.4	-178.5	-165.1	0	0	0	0	108.7	P56 A61	P56-V59 HydrophobicContact CG-CG2 4.28Å; V59-A61 PolarHBondContact O-N 3.46Å
60	E	90.4	Very high	91.1	Very high	95 Å²	95	50.6 Å²	50.6	44%	0.444	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-58.4	118.1	164	-173.9	-173.8	152.9	0	0	109.6	N62 P498 L520	E60-N62 PolarHBondContact O-N 2.94Å; E60-P498 HydrophobicContact CG-CB 4.14Å; E60-P498 HydrophobicContact CG-CG 4.43Å; E60-L520 HydrophobicContact CB-CD2 4.15Å
61	A	91.5	Very high	90.9	Very high	22 Å²	22	53 Å²	53	18%	0.182	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-70.1	119.9	172.3	0	0	0	0	0	108.9	V59 P63 E515 N517	V59-A61 PolarHBondContact O-N 3.46Å; A61-P63 WeakPolarHBondContact O-CD 2.96Å; A61-E515 HydrophobicContact CB-CG 3.77Å; A61-E515 WeakPolarHBondContact CB-OE2 3.36Å; A61-N517 PolarHBondContact N-OD1 3.41Å
62	N	89.3	Confident	90.9	Very high	93 Å²	93	49 Å²	49	50%	0.497	27%	0.266	S	S	.	.			trans	-99.6	102.2	175.2	-178.4	-13.7	0	0	0	109.3	E60 Q64	E60-N62 PolarHBondContact O-N 2.94Å; N62-Q64 PolarHBondContact O-N 3.16Å; N62-Q64 WeakPolarHBondContact OD1-CG 3.38Å; N62-Q64 PolarHBondContact OD1-N 3.1Å
63	P	93.5	Very high	90.9	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.013	27%	0.265	C	S	.	.			trans	-73.6	-5.3	-176.6	26.5	-33.6	0	0	0	114.7	A61 Y75 K76 V500 V514 E515	A61-P63 WeakPolarHBondContact O-CD 2.96Å; P63-Y75 HydrophobicContact CB-CD2 3.96Å; P63-K76 WeakPolarHBondContact CA-O 3.42Å; P63-K76 WeakPolarHBondContact CB-O 3.36Å; P63-K76 PolarHBondContact O-N 2.83Å; P63-V500 HydrophobicContact CG-CB 4.06Å; P63-V500 HydrophobicContact CG-CG1 4.22Å; P63-V500 HydrophobicContact CG-CG2 3.8Å; P63-V514 HydrophobicContact CB-CG1 3.86Å; P63-V514 HydrophobicContact CG-CG1 4Å; P63-E515 HydrophobicContact CG-CB 3.97Å
64	Q	92.4	Very high	91.1	Very high	46 Å²	46	47.5 Å²	47.5	22%	0.215	26%	0.259	C	S	.	.			trans	45.6	49.6	178.1	-61.8	175.7	-50.1	0	0	113.8	N62 F111	N62-Q64 PolarHBondContact O-N 3.16Å; N62-Q64 WeakPolarHBondContact OD1-CG 3.38Å; N62-Q64 PolarHBondContact OD1-N 3.1Å; Q64-F111 HydrophobicContact CB-CE1 4.1Å
65	P	95.6	Very high	91.3	Very high	13 Å²	13	46.6 Å²	46.6	8%	0.084	25%	0.251	C	S	.	.			trans	-65.7	138.6	-171.7	28.1	-35.3	0	0	0	112.3	F73 A74 L480 I489 H491	P65-F73 HydrophobicContact CB-CD2 4.32Å; P65-A74 CarbonylContact C-O 3.56Å; P65-A74 WeakPolarHBondContact CA-O 2.99Å; P65-L480 WeakPolarHBondContact O-CD2 3.34Å; P65-I489 HydrophobicContact CB-CD1 3.81Å; P65-I489 HydrophobicContact CB-CG2 4.34Å; P65-I489 HydrophobicContact CG-CG2 4.07Å; P65-H491 WeakPolarHBondContact CG-NE2 3.41Å
66	K	94	Very high	91.5	Very high	61 Å²	61	44.6 Å²	44.6	27%	0.265	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	115.8	-176.9	-67	179.1	-172.7	-171.9	0	111.1	M68 F73 A74 F111 P113	K66-M68 PolarHBondContact O-N 3.03Å; K66-F73 CarbonylContact O-C 3.59Å; K66-F73 VanDerWaalsContact O-CA 3.27Å; K66-F73 WeakPolarHBondContact O-CA 3.33Å; K66-F73 WeakPolarHBondContact O-CB 3.45Å; K66-A74 PolarHBondContact N-O 2.85Å; K66-A74 PolarHBondContact O-N 2.87Å; K66-F111 PolarHBondContact NZ-O 3.08Å; K66-P113 HydrophobicContact CB-CG 4.4Å
67	W	92.7	Very high	91.9	Very high	29 Å²	29	44 Å²	44	11%	0.11	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	131.5	169.7	-68.8	109.3	0	0	0	110.5	F73 I87 L480 F481 H487 I489 L502	W67-F73 HydrophobicContact CD2-CB 4.03Å; W67-F73 HydrophobicContact CE3-CB 3.77Å; W67-F73 HydrophobicContact CE3-CD1 4.4Å; W67-F73 HydrophobicContact CG-CB 4.48Å; W67-F73 HydrophobicContact CH2-CD1 4.12Å; W67-F73 HydrophobicContact CZ3-CB 4.19Å; W67-F73 AromaticContact CZ3-CD1 3.96Å; W67-F73 HydrophobicContact CZ3-CD1 3.96Å; W67-I87 HydrophobicContact CH2-CD1 3.75Å; W67-I87 HydrophobicContact CZ3-CD1 3.84Å; W67-L480 PolarHBondContact NE1-O 2.9Å; W67-F481 VanDerWaalsContact NE1-C 3.31Å; W67-F481 PolarHBondContact NE1-O 2.82Å; W67-H487 HydrophobicContact CH2-CB 3.64Å; W67-H487 HydrophobicContact CZ2-CB 4.13Å; W67-I489 HydrophobicContact CZ2-CD1 3.96Å; W67-I489 HydrophobicContact CZ2-CG1 3.78Å; W67-L502 HydrophobicContact CH2-CD1 3.85Å; W67-L502 HydrophobicContact CZ2-CD1 4.23Å
68	M	89.8	Confident	92	Very high	16 Å²	16	38.9 Å²	38.9	8%	0.079	22%	0.216	C	C	.	.	S	Bend	trans	-102.1	-32.2	173.6	-57	-171.7	-65.8	0	0	110.2	K66 T72 A74 S84 P113 G117	K66-M68 PolarHBondContact O-N 3.03Å; M68-T72 HydrophobicContact CE-CG2 3.61Å; M68-T72 PolarHBondContact N-O 2.88Å; M68-A74 HydrophobicContact CE-CB 4.16Å; M68-A74 HydrophobicContact SD-CB 3.95Å; M68-S84 WeakPolarHBondContact CE-OG 3.13Å; M68-P113 HydrophobicContact CG-CB 4.35Å; M68-P113 HydrophobicContact CG-CG 4.02Å; M68-P113 HydrophobicContact SD-CB 3.72Å; M68-P113 HydrophobicContact SD-CG 3.97Å; M68-G117 VanDerWaalsContact SD-CA 3.55Å
69	S	87.5	Confident	92.1	Very high	34 Å²	34	42.3 Å²	42.3	24%	0.238	23%	0.233	C	C	.	.	S	Bend	trans	-142.2	-164.1	176.5	62.2	0	0	0	0	110.1	D71 T72 H483	S69-D71 WeakPolarHBondContact CB-OD1 3.47Å; S69-D71 PolarHBondContact OG-N 2.92Å; S69-D71 PolarHBondContact OG-OD1 2.84Å; S69-T72 PolarHBondContact N-O 3.24Å; S69-T72 VanDerWaalsContact N-O 3.15Å; S69-T72 WeakPolarHBondContact OG-CA 3.29Å; S69-T72 WeakPolarHBondContact OG-CB 3.42Å; S69-T72 PolarHBondContact OG-N 2.98Å; S69-T72 PolarHBondContact OG-OG1 2.83Å; S69-H483 VanDerWaalsContact C-ND1 3.31Å; S69-H483 PolarHBondContact O-ND1 2.83Å
70	S	89	Confident	92.4	Very high	39 Å²	39	38.9 Å²	38.9	27%	0.273	21%	0.213	S	C	.	.	S	Bend	trans	-76.9	-25	170.7	-59.5	0	0	0	0	114.1	S482 D484 H487	S70-S482 VanDerWaalsContact O-CB 3.26Å; S70-S482 WeakPolarHBondContact O-CB 3.4Å; S70-D484 VanDerWaalsContact CB-CG 3.46Å; S70-D484 PolarHBondContact OG-N 3.34Å; S70-H487 PolarHBondContact O-ND1 3.24Å; S70-H487 VanDerWaalsContact O-ND1 3.11Å
71	D	92	Very high	92.5	Very high	63 Å²	63	34.6 Å²	34.6	34%	0.337	19%	0.193	S	C	.	.	S	Bend	trans	-113.9	-6.3	-171.6	62	5.8	0	0	0	113.1	S69 H86 I87	S69-D71 WeakPolarHBondContact CB-OD1 3.47Å; S69-D71 PolarHBondContact OG-N 2.92Å; S69-D71 PolarHBondContact OG-OD1 2.84Å; D71-H86 CarbonylContact O-C 3.6Å; D71-H86 IonicContact OD1-ND1 3.9Å; D71-H86 IonicContact OD2-CE1 3.4Å; D71-H86 PolarHBondContact OD2-CE1 3.08Å; D71-H86 IonicContact OD2-ND1 3.92Å; D71-I87 WeakPolarHBondContact O-CB 3.44Å; D71-I87 VanDerWaalsContact O-CG1 3.29Å; D71-I87 WeakPolarHBondContact O-CG1 3.2Å; D71-I87 PolarHBondContact O-N 3.23Å
72	T	94	Very high	92.7	Very high	20 Å²	20	33.5 Å²	33.5	12%	0.123	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	130.5	-170.8	-45.4	0	0	0	0	111.2	M68 S69 S84 V85 H86	M68-T72 HydrophobicContact CE-CG2 3.61Å; M68-T72 PolarHBondContact N-O 2.88Å; S69-T72 PolarHBondContact N-O 3.24Å; S69-T72 VanDerWaalsContact N-O 3.15Å; S69-T72 WeakPolarHBondContact OG-CA 3.29Å; S69-T72 WeakPolarHBondContact OG-CB 3.42Å; S69-T72 PolarHBondContact OG-N 2.98Å; S69-T72 PolarHBondContact OG-OG1 2.83Å; T72-S84 WeakPolarHBondContact CG2-OG 3.34Å; T72-V85 VanDerWaalsContact CA-O 3.3Å; T72-V85 WeakPolarHBondContact CA-O 3.09Å; T72-V85 WeakPolarHBondContact CG2-O 3.44Å; T72-H86 HydrophobicContact CG2-CB 4.18Å; T72-H86 PolarHBondContact OG1-ND1 2.73Å
73	F	95.8	Very high	92.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	159.6	171.9	72.2	-84.7	0	0	0	111	P65 K66 W67 Y75 S84 V85 I489 L502 F512 V514	P65-F73 HydrophobicContact CB-CD2 4.32Å; K66-F73 CarbonylContact O-C 3.59Å; K66-F73 VanDerWaalsContact O-CA 3.27Å; K66-F73 WeakPolarHBondContact O-CA 3.33Å; K66-F73 WeakPolarHBondContact O-CB 3.45Å; W67-F73 HydrophobicContact CD2-CB 4.03Å; W67-F73 HydrophobicContact CE3-CB 3.77Å; W67-F73 HydrophobicContact CE3-CD1 4.4Å; W67-F73 HydrophobicContact CG-CB 4.48Å; W67-F73 HydrophobicContact CH2-CD1 4.12Å; W67-F73 HydrophobicContact CZ3-CB 4.19Å; W67-F73 AromaticContact CZ3-CD1 3.96Å; W67-F73 HydrophobicContact CZ3-CD1 3.96Å; F73-Y75 HydrophobicContact CD2-CD1 4.44Å; F73-Y75 AromaticContact CE2-CD1 3.76Å; F73-Y75 HydrophobicContact CE2-CD1 3.76Å; F73-Y75 HydrophobicContact CE2-CG 4.3Å; F73-S84 WeakPolarHBondContact O-CA 3.22Å; F73-V85 HydrophobicContact CD1-CB 4.08Å; F73-V85 HydrophobicContact CE1-CB 3.56Å; F73-V85 HydrophobicContact CE1-CG1 3.82Å; F73-V85 HydrophobicContact CE1-CG2 4.15Å; F73-V85 HydrophobicContact CE2-CB 4.32Å; F73-V85 HydrophobicContact CE2-CG2 4.12Å; F73-V85 HydrophobicContact CZ-CB 3.69Å; F73-V85 HydrophobicContact CZ-CG1 4.13Å; F73-V85 HydrophobicContact CZ-CG2 3.73Å; F73-V85 PolarHBondContact N-O 2.76Å; F73-V85 VanDerWaalsContact N-O 3.1Å; F73-V85 PolarHBondContact O-N 3.12Å; F73-I489 HydrophobicContact CB-CD1 4.19Å; F73-I489 HydrophobicContact CD1-CD1 3.9Å; F73-I489 HydrophobicContact CD2-CD1 3.57Å; F73-I489 HydrophobicContact CE1-CD1 4.12Å; F73-I489 HydrophobicContact CE2-CD1 3.81Å; F73-I489 HydrophobicContact CG-CD1 3.63Å; F73-I489 HydrophobicContact CZ-CD1 4.08Å; F73-L502 HydrophobicContact CE1-CD1 3.99Å; F73-L502 HydrophobicContact CE1-CD2 4.05Å; F73-L502 HydrophobicContact CE1-CG 4.45Å; F73-F512 HydrophobicContact CZ-CD1 4.44Å; F73-V514 HydrophobicContact CE2-CG1 4.46Å; F73-V514 HydrophobicContact CE2-CG2 4.09Å; F73-V514 HydrophobicContact CZ-CG2 3.91Å
74	A	96	Very high	93	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.8	168.1	0	0	0	0	0	111.1	P65 K66 M68 W83 L97 F111 P113	P65-A74 CarbonylContact C-O 3.56Å; P65-A74 WeakPolarHBondContact CA-O 2.99Å; K66-A74 PolarHBondContact N-O 2.85Å; K66-A74 PolarHBondContact O-N 2.87Å; M68-A74 HydrophobicContact CE-CB 4.16Å; M68-A74 HydrophobicContact SD-CB 3.95Å; A74-W83 CarbonylContact C-O 3.06Å; A74-W83 WeakPolarHBondContact CA-O 3.25Å; A74-L97 HydrophobicContact CB-CD1 4.13Å; A74-F111 HydrophobicContact CB-CE2 4.35Å; A74-P113 HydrophobicContact CB-CG 4.21Å
75	Y	96.8	Very high	93.2	Very high	19 Å²	19	30.4 Å²	30.4	8%	0.075	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	164.7	173.7	78.8	-81.5	0	0	0	110.4	P63 F73 D77 I82 W83 V85 F512 V514	P63-Y75 HydrophobicContact CB-CD2 3.96Å; F73-Y75 HydrophobicContact CD2-CD1 4.44Å; F73-Y75 AromaticContact CE2-CD1 3.76Å; F73-Y75 HydrophobicContact CE2-CD1 3.76Å; F73-Y75 HydrophobicContact CE2-CG 4.3Å; Y75-D77 HydrophobicContact CE2-CB 4.14Å; Y75-I82 WeakPolarHBondContact O-CA 3.29Å; Y75-W83 HydrophobicContact CD1-CB 4.04Å; Y75-W83 HydrophobicContact CE1-CB 3.58Å; Y75-W83 HydrophobicContact CE1-CG 4.24Å; Y75-W83 AromaticContact CZ-CD1 3.89Å; Y75-W83 PolarHBondContact N-O 3.41Å; Y75-W83 PolarHBondContact O-N 3.38Å; Y75-V85 HydrophobicContact CD1-CG2 3.96Å; Y75-V85 HydrophobicContact CE1-CG2 3.61Å; Y75-F512 AromaticContact CE1-CE1 3.82Å; Y75-F512 HydrophobicContact CE1-CE1 3.82Å; Y75-F512 HydrophobicContact CE1-CZ 4.22Å; Y75-F512 AromaticContact CZ-CE1 3.96Å; Y75-V514 HydrophobicContact CD1-CG1 4.16Å; Y75-V514 HydrophobicContact CD2-CG1 3.52Å; Y75-V514 HydrophobicContact CE2-CG1 3.97Å; Y75-V514 WeakPolarHBondContact CE2-O 3.37Å; Y75-V514 HydrophobicContact CG-CG1 3.63Å
76	K	95.1	Very high	93.2	Very high	43 Å²	43	33 Å²	33	19%	0.187	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.6	174.2	-175	-168.4	72.8	-159.5	0	108.3	P63 C80 S81 I82 F108 F111	P63-K76 WeakPolarHBondContact CA-O 3.42Å; P63-K76 WeakPolarHBondContact CB-O 3.36Å; P63-K76 PolarHBondContact O-N 2.83Å; K76-C80 WeakPolarHBondContact CG-O 3.3Å; K76-S81 CarbonylContact C-O 3.53Å; K76-S81 WeakPolarHBondContact CA-O 3.15Å; K76-I82 HydrophobicContact CB-CG1 4.27Å; K76-I82 HydrophobicContact CG-CG1 4.23Å; K76-F108 HydrophobicContact CD-CE2 4.17Å; K76-F108 HydrophobicContact CD-CZ 4.12Å; K76-F111 HydrophobicContact CB-CE1 3.81Å; K76-F111 HydrophobicContact CB-CZ 4.29Å
77	D	93.7	Very high	93.2	Very high	29 Å²	29	30.5 Å²	30.5	16%	0.155	17%	0.166	C	C	.	.			trans	-81.8	176.3	176.5	73	19.1	0	0	0	112.9	Y75 N79 C80 S81 W83	Y75-D77 HydrophobicContact CE2-CB 4.14Å; D77-N79 PolarHBondContact O-N 3.02Å; D77-N79 VanDerWaalsContact OD1-C 3.29Å; D77-N79 VanDerWaalsContact OD1-CA 3.29Å; D77-N79 WeakPolarHBondContact OD1-CA 3.19Å; D77-N79 WeakPolarHBondContact OD1-CB 3.38Å; D77-N79 PolarHBondContact OD1-N 3.06Å; D77-C80 PolarHBondContact O-N 2.88Å; D77-C80 VanDerWaalsContact O-N 3.11Å; D77-C80 PolarHBondContact OD1-N 3.48Å; D77-S81 PolarHBondContact N-O 3.06Å; D77-S81 PolarHBondContact OD1-N 3.46Å; D77-S81 WeakPolarHBondContact OD2-CB 3.48Å; D77-W83 PolarHBondContact OD2-NE1 3.3Å
78	S	89.5	Confident	93.2	Very high	72 Å²	72	36.3 Å²	36.3	50%	0.503	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-16.7	177.7	15.5	0	0	0	0	114	E515	S78-E515 WeakPolarHBondContact CB-OE2 3.19Å; S78-E515 PolarHBondContact OG-OE2 2.75Å
79	N	89.6	Confident	93.1	Very high	90 Å²	90	38.4 Å²	38.4	48%	0.481	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-0.5	173	-66.5	-11	0	0	0	113	D77 E100 Q104	D77-N79 PolarHBondContact O-N 3.02Å; D77-N79 VanDerWaalsContact OD1-C 3.29Å; D77-N79 VanDerWaalsContact OD1-CA 3.29Å; D77-N79 WeakPolarHBondContact OD1-CA 3.19Å; D77-N79 WeakPolarHBondContact OD1-CB 3.38Å; D77-N79 PolarHBondContact OD1-N 3.06Å; N79-E100 WeakPolarHBondContact O-CG 3.35Å; N79-Q104 PolarHBondContact O-NE2 2.85Å
80	C	91.9	Very high	93	Very high	30 Å²	30	43.7 Å²	43.7	20%	0.203	24%	0.239	C	C	.	.	S	Bend	trans	88.6	-16.7	-173.8	-150.8	0	0	0	0	115.1	K76 D77 I82 C103 Q104	K76-C80 WeakPolarHBondContact CG-O 3.3Å; D77-C80 PolarHBondContact O-N 2.88Å; D77-C80 VanDerWaalsContact O-N 3.11Å; D77-C80 PolarHBondContact OD1-N 3.48Å; C80-I82 PolarHBondContact O-N 3.33Å; C80-C103 VanDerWaalsContact C-SG 3.55Å; C80-C103 HydrophobicContact CB-CB 3.61Å; C80-C103 WeakPolarHBondContact CB-SG 3.29Å; C80-C103 WeakPolarHBondContact O-CB 3.49Å; C80-C103 PolarHBondContact O-SG 3.48Å; C80-C103 VanDerWaalsContact SG-C 3.57Å; C80-C103 WeakPolarHBondContact SG-CB 3.42Å; C80-C103 CovalentContact SG-SG 2.03Å; C80-C103 PolarHBondContact SG-SG 2.65Å; C80-Q104 HydrophobicContact CB-CG 3.96Å
81	S	93.4	Very high	93.2	Very high	5 Å²	5	48.9 Å²	48.9	4%	0.035	26%	0.259	C	S	.	.			trans	-58.4	136.1	-177.6	-67.4	0	0	0	0	111.4	K76 D77 Q96 V98 E100	K76-S81 CarbonylContact C-O 3.53Å; K76-S81 WeakPolarHBondContact CA-O 3.15Å; D77-S81 PolarHBondContact N-O 3.06Å; D77-S81 PolarHBondContact OD1-N 3.46Å; D77-S81 WeakPolarHBondContact OD2-CB 3.48Å; S81-Q96 PolarHBondContact OG-NE2 3.25Å; S81-V98 WeakPolarHBondContact CA-O 3.5Å; S81-E100 PolarHBondContact OG-N 2.79Å; S81-E100 VanDerWaalsContact OG-N 3.12Å
82	I	94	Very high	93.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124.4	176.2	-62.8	170	0	0	0	108.5	Y75 K76 C80 L97 V98 F108 F111 I120 F122	Y75-I82 WeakPolarHBondContact O-CA 3.29Å; K76-I82 HydrophobicContact CB-CG1 4.27Å; K76-I82 HydrophobicContact CG-CG1 4.23Å; C80-I82 PolarHBondContact O-N 3.33Å; I82-L97 HydrophobicContact CG2-CB 4.19Å; I82-L97 HydrophobicContact CG2-CD1 4.24Å; I82-L97 PolarHBondContact O-N 2.86Å; I82-V98 HydrophobicContact CB-CB 3.99Å; I82-V98 HydrophobicContact CB-CG2 4.05Å; I82-V98 HydrophobicContact CD1-CB 4.3Å; I82-V98 HydrophobicContact CD1-CG2 3.97Å; I82-V98 HydrophobicContact CG1-CB 4.37Å; I82-V98 HydrophobicContact CG1-CG2 4.44Å; I82-V98 PolarHBondContact N-O 2.8Å; I82-V98 PolarHBondContact O-N 3.49Å; I82-F108 HydrophobicContact CD1-CE1 4.23Å; I82-F108 HydrophobicContact CD1-CZ 3.8Å; I82-F111 HydrophobicContact CD1-CB 4.29Å; I82-F111 HydrophobicContact CD1-CD1 4.3Å; I82-F111 HydrophobicContact CD1-CD2 3.95Å; I82-F111 HydrophobicContact CD1-CE2 4.38Å; I82-F111 HydrophobicContact CD1-CG 3.92Å; I82-F111 HydrophobicContact CG2-CD2 4.32Å; I82-F111 HydrophobicContact CG2-CE2 3.89Å; I82-F111 HydrophobicContact CG2-CZ 4.4Å; I82-I120 HydrophobicContact CG2-CD1 4.31Å; I82-F122 HydrophobicContact CD1-CE1 3.74Å; I82-F122 HydrophobicContact CD1-CZ 4.33Å
83	W	94.9	Very high	93.4	Very high	61 Å²	61	50.5 Å²	50.5	23%	0.231	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.5	-177.2	-59	97.5	0	0	0	110.5	A74 Y75 D77 V94 T95 Q96	A74-W83 CarbonylContact C-O 3.06Å; A74-W83 WeakPolarHBondContact CA-O 3.25Å; Y75-W83 HydrophobicContact CD1-CB 4.04Å; Y75-W83 HydrophobicContact CE1-CB 3.58Å; Y75-W83 HydrophobicContact CE1-CG 4.24Å; Y75-W83 AromaticContact CZ-CD1 3.89Å; Y75-W83 PolarHBondContact N-O 3.41Å; Y75-W83 PolarHBondContact O-N 3.38Å; D77-W83 PolarHBondContact OD2-NE1 3.3Å; W83-V94 HydrophobicContact CB-CG1 4.17Å; W83-V94 HydrophobicContact CD2-CG1 4.19Å; W83-V94 HydrophobicContact CE3-CG1 3.69Å; W83-V94 HydrophobicContact CG-CG1 4.42Å; W83-V94 HydrophobicContact CZ3-CG1 4.43Å; W83-T95 WeakPolarHBondContact CA-O 3.5Å; W83-Q96 HydrophobicContact CD2-CG 4.34Å; W83-Q96 HydrophobicContact CE3-CB 3.76Å; W83-Q96 HydrophobicContact CE3-CG 3.96Å; W83-Q96 HydrophobicContact CH2-CB 4.09Å; W83-Q96 HydrophobicContact CH2-CG 3.87Å; W83-Q96 HydrophobicContact CZ2-CG 4.24Å; W83-Q96 HydrophobicContact CZ3-CB 3.49Å; W83-Q96 VanDerWaalsContact CZ3-CB 3.49Å; W83-Q96 HydrophobicContact CZ3-CG 3.73Å
84	S	95	Very high	93.4	Very high	15 Å²	15	53.2 Å²	53.2	11%	0.105	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	135.8	162.3	-174.6	0	0	0	0	108.9	M68 T72 F73 V94 T95	M68-S84 WeakPolarHBondContact CE-OG 3.13Å; T72-S84 WeakPolarHBondContact CG2-OG 3.34Å; F73-S84 WeakPolarHBondContact O-CA 3.22Å; S84-V94 CarbonylContact O-C 3.59Å; S84-V94 WeakPolarHBondContact O-CA 3.28Å; S84-T95 PolarHBondContact N-O 3.16Å; S84-T95 PolarHBondContact O-N 3.24Å
85	V	96.7	Very high	93.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117.1	172.5	-175.6	0	0	0	0	107.9	T72 F73 Y75 T92 V94 F512	T72-V85 VanDerWaalsContact CA-O 3.3Å; T72-V85 WeakPolarHBondContact CA-O 3.09Å; T72-V85 WeakPolarHBondContact CG2-O 3.44Å; F73-V85 HydrophobicContact CD1-CB 4.08Å; F73-V85 HydrophobicContact CE1-CB 3.56Å; F73-V85 HydrophobicContact CE1-CG1 3.82Å; F73-V85 HydrophobicContact CE1-CG2 4.15Å; F73-V85 HydrophobicContact CE2-CB 4.32Å; F73-V85 HydrophobicContact CE2-CG2 4.12Å; F73-V85 HydrophobicContact CZ-CB 3.69Å; F73-V85 HydrophobicContact CZ-CG1 4.13Å; F73-V85 HydrophobicContact CZ-CG2 3.73Å; F73-V85 PolarHBondContact N-O 2.76Å; F73-V85 VanDerWaalsContact N-O 3.1Å; F73-V85 PolarHBondContact O-N 3.12Å; Y75-V85 HydrophobicContact CD1-CG2 3.96Å; Y75-V85 HydrophobicContact CE1-CG2 3.61Å; V85-T92 HydrophobicContact CG1-CG2 4.24Å; V85-V94 HydrophobicContact CG2-CG1 4.47Å; V85-V94 HydrophobicContact CG2-CG2 4.32Å; V85-F512 HydrophobicContact CG2-CD1 4.32Å; V85-F512 HydrophobicContact CG2-CE1 3.93Å; V85-F512 HydrophobicContact CG2-CZ 4.25Å
86	H	95.4	Very high	93	Very high	68 Å²	68	60.3 Å²	60.3	32%	0.315	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.7	174.9	177.3	66.2	0	0	0	109.9	D71 T72 T92 T93	D71-H86 CarbonylContact O-C 3.6Å; D71-H86 IonicContact OD1-ND1 3.9Å; D71-H86 IonicContact OD2-CE1 3.4Å; D71-H86 PolarHBondContact OD2-CE1 3.08Å; D71-H86 IonicContact OD2-ND1 3.92Å; T72-H86 HydrophobicContact CG2-CB 4.18Å; T72-H86 PolarHBondContact OG1-ND1 2.73Å; H86-T92 CarbonylContact O-C 3.54Å; H86-T92 WeakPolarHBondContact O-CA 3.42Å; H86-T93 PolarHBondContact N-O 3.44Å; H86-T93 PolarHBondContact O-N 2.81Å
87	I	95.3	Very high	92.7	Very high	7 Å²	7	60.9 Å²	60.9	4%	0.036	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.6	-171.2	-50.3	165.6	0	0	0	108.9	W67 D71 T92 H487 L502 L511	W67-I87 HydrophobicContact CH2-CD1 3.75Å; W67-I87 HydrophobicContact CZ3-CD1 3.84Å; D71-I87 WeakPolarHBondContact O-CB 3.44Å; D71-I87 VanDerWaalsContact O-CG1 3.29Å; D71-I87 WeakPolarHBondContact O-CG1 3.2Å; D71-I87 PolarHBondContact O-N 3.23Å; I87-T92 HydrophobicContact CG1-CG2 4.38Å; I87-H487 HydrophobicContact CD1-CB 4.17Å; I87-L502 HydrophobicContact CD1-CD1 3.84Å; I87-L502 HydrophobicContact CD1-CD2 3.76Å; I87-L502 HydrophobicContact CD1-CG 4.36Å; I87-L502 HydrophobicContact CG1-CD2 3.92Å; I87-L511 HydrophobicContact CG2-CD1 3.93Å
88	K	92.8	Very high	92.5	Very high	151 Å²	151	60.1 Å²	60.1	66%	0.657	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	90.3	-177.7	-169.5	-177.7	177.3	-171.4	0	110.8	E90 E91	K88-E90 PolarHBondContact O-N 3.23Å; K88-E91 PolarHBondContact N-O 3.3Å; K88-E91 PolarHBondContact O-N 3.29Å
89	G	86.7	Confident	92.6	Very high	61 Å²	61	59.6 Å²	59.6	63%	0.629	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	-122.1	-170.1	0	0	0	0	0	109.7
90	E	85.7	Confident	92.7	Very high	145 Å²	145	59.1 Å²	59.1	68%	0.678	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-6.1	173.9	-56.7	-161.2	128.2	0	0	113.2	K88 N507 L511	K88-E90 PolarHBondContact O-N 3.23Å; E90-N507 PolarHBondContact OE1-ND2 3.15Å; E90-L511 HydrophobicContact CB-CD2 4.25Å
91	E	91.9	Very high	92.6	Very high	147 Å²	147	64.4 Å²	64.4	69%	0.687	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	144.4	176.9	-65.5	-175.8	164.4	0	0	111.7	K88	K88-E91 PolarHBondContact N-O 3.3Å; K88-E91 PolarHBondContact O-N 3.29Å
92	T	95.6	Very high	92.3	Very high	40 Å²	40	65.1 Å²	65.1	25%	0.245	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.7	171.8	58.1	0	0	0	0	111.1	V85 H86 I87 L502 L511 F512	V85-T92 HydrophobicContact CG1-CG2 4.24Å; H86-T92 CarbonylContact O-C 3.54Å; H86-T92 WeakPolarHBondContact O-CA 3.42Å; I87-T92 HydrophobicContact CG1-CG2 4.38Å; T92-L502 HydrophobicContact CG2-CD2 3.92Å; T92-L511 HydrophobicContact CG2-CB 4.17Å; T92-F512 HydrophobicContact CG2-CB 4.29Å
93	T	96.4	Very high	92.1	Very high	77 Å²	77	65.1 Å²	65.1	47%	0.472	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.4	173	-57.8	0	0	0	0	109.3	H86	H86-T93 PolarHBondContact N-O 3.44Å; H86-T93 PolarHBondContact O-N 2.81Å
94	V	95.4	Very high	91.8	Very high	58 Å²	58	66.7 Å²	66.7	35%	0.352	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	139.8	178.7	-171.4	0	0	0	0	109.7	W83 S84 V85 F512	W83-V94 HydrophobicContact CB-CG1 4.17Å; W83-V94 HydrophobicContact CD2-CG1 4.19Å; W83-V94 HydrophobicContact CE3-CG1 3.69Å; W83-V94 HydrophobicContact CG-CG1 4.42Å; W83-V94 HydrophobicContact CZ3-CG1 4.43Å; S84-V94 CarbonylContact O-C 3.59Å; S84-V94 WeakPolarHBondContact O-CA 3.28Å; V85-V94 HydrophobicContact CG2-CG1 4.47Å; V85-V94 HydrophobicContact CG2-CG2 4.32Å; V94-F512 HydrophobicContact CG2-CD2 4.39Å; V94-F512 HydrophobicContact CG2-CE2 3.65Å; V94-F512 HydrophobicContact CG2-CZ 4.04Å
95	T	93.1	Very high	91.5	Very high	75 Å²	75	71.4 Å²	71.4	46%	0.46	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	130.1	-179.6	-62	0	0	0	0	109.8	W83 S84 L97	W83-T95 WeakPolarHBondContact CA-O 3.5Å; S84-T95 PolarHBondContact N-O 3.16Å; S84-T95 PolarHBondContact O-N 3.24Å; T95-L97 PolarHBondContact O-N 3.05Å
96	Q	91.4	Very high	91.1	Very high	93 Å²	93	73.2 Å²	73.2	44%	0.435	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	125.6	176.6	-151.3	169.4	28.7	0	0	109.4	S81 W83	S81-Q96 PolarHBondContact OG-NE2 3.25Å; W83-Q96 HydrophobicContact CD2-CG 4.34Å; W83-Q96 HydrophobicContact CE3-CB 3.76Å; W83-Q96 HydrophobicContact CE3-CG 3.96Å; W83-Q96 HydrophobicContact CH2-CB 4.09Å; W83-Q96 HydrophobicContact CH2-CG 3.87Å; W83-Q96 HydrophobicContact CZ2-CG 4.24Å; W83-Q96 HydrophobicContact CZ3-CB 3.49Å; W83-Q96 VanDerWaalsContact CZ3-CB 3.49Å; W83-Q96 HydrophobicContact CZ3-CG 3.73Å
97	L	88.6	Confident	90.7	Very high	55 Å²	55	78.2 Å²	78.2	29%	0.288	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-33.3	172.5	-61.1	-177	0	0	0	111.5	A74 I82 T95 I120	A74-L97 HydrophobicContact CB-CD1 4.13Å; I82-L97 HydrophobicContact CG2-CB 4.19Å; I82-L97 HydrophobicContact CG2-CD1 4.24Å; I82-L97 PolarHBondContact O-N 2.86Å; T95-L97 PolarHBondContact O-N 3.05Å; L97-I120 HydrophobicContact CB-CD1 4.04Å; L97-I120 HydrophobicContact CD1-CD1 4.18Å
98	V	89.5	Confident	90.6	Very high	12 Å²	12	79 Å²	79	7%	0.073	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	128.3	177.8	-169.9	0	0	0	0	108	S81 I82 S102 C103 I120 F122	S81-V98 WeakPolarHBondContact CA-O 3.5Å; I82-V98 HydrophobicContact CB-CB 3.99Å; I82-V98 HydrophobicContact CB-CG2 4.05Å; I82-V98 HydrophobicContact CD1-CB 4.3Å; I82-V98 HydrophobicContact CD1-CG2 3.97Å; I82-V98 HydrophobicContact CG1-CB 4.37Å; I82-V98 HydrophobicContact CG1-CG2 4.44Å; I82-V98 PolarHBondContact N-O 2.8Å; I82-V98 PolarHBondContact O-N 3.49Å; V98-S102 VanDerWaalsContact CG1-CB 3.5Å; V98-C103 HydrophobicContact CG1-CB 4.3Å; V98-I120 HydrophobicContact CG2-CD1 3.76Å; V98-F122 HydrophobicContact CG2-CZ 4.04Å
99	D	90.8	Very high	90.5	Very high	61 Å²	61	74.7 Å²	74.7	33%	0.326	40%	0.395	S	S	.	.			trans	-75.9	168.7	176.4	68.3	87	0	0	0	113.1	Q101 S102 C103	D99-Q101 PolarHBondContact O-N 3.33Å; D99-Q101 WeakPolarHBondContact OD1-CA 3.48Å; D99-Q101 WeakPolarHBondContact OD1-CB 3.42Å; D99-Q101 PolarHBondContact OD1-N 3.24Å; D99-S102 PolarHBondContact O-N 2.8Å; D99-S102 PolarHBondContact OD1-N 3.06Å; D99-S102 PolarHBondContact OD1-OG 2.81Å; D99-S102 WeakPolarHBondContact OD2-CB 3.34Å; D99-S102 PolarHBondContact OD2-OG 3.26Å; D99-C103 WeakPolarHBondContact O-CB 3.25Å; D99-C103 PolarHBondContact O-N 2.98Å
100	E	92.1	Very high	90.8	Very high	81 Å²	81	72.4 Å²	72.4	38%	0.379	37%	0.369	S	S	.	.	H	α-helix	trans	-56.4	-49.5	-178.7	175.8	168.3	171.1	0	0	112.4	N79 S81 C103 Q104	N79-E100 WeakPolarHBondContact O-CG 3.35Å; S81-E100 PolarHBondContact OG-N 2.79Å; S81-E100 VanDerWaalsContact OG-N 3.12Å; E100-C103 PolarHBondContact O-N 2.96Å; E100-Q104 HydrophobicContact CG-CG 4.36Å; E100-Q104 WeakPolarHBondContact O-CB 3.16Å; E100-Q104 VanDerWaalsContact O-CG 3.3Å; E100-Q104 WeakPolarHBondContact O-CG 3.2Å; E100-Q104 PolarHBondContact O-N 2.93Å; E100-Q104 PolarHBondContact OE1-NE2 3.13Å
101	Q	89.3	Confident	91.2	Very high	140 Å²	140	65.5 Å²	65.5	65%	0.654	34%	0.337	S	S	*	.	H	α-helix	trans	-66.6	-44.5	-177.2	-174.7	176.6	6.8	0	0	110.4	D99 C103 Q104 N105	D99-Q101 PolarHBondContact O-N 3.33Å; D99-Q101 WeakPolarHBondContact OD1-CA 3.48Å; D99-Q101 WeakPolarHBondContact OD1-CB 3.42Å; D99-Q101 PolarHBondContact OD1-N 3.24Å; Q101-C103 VanDerWaalsContact C-N 3.3Å; Q101-C103 PolarHBondContact O-N 3.47Å; Q101-Q104 PolarHBondContact O-N 3Å; Q101-N105 WeakPolarHBondContact O-CB 3.1Å; Q101-N105 PolarHBondContact O-N 3.01Å; Q101-N105 PolarHBondContact O-ND2 3.46Å
102	S	87.6	Confident	91.3	Very high	20 Å²	20	60.4 Å²	60.4	14%	0.14	31%	0.313	C	S	.	.	H	α-helix	trans	-57.3	-37.9	172.8	-78.3	0	0	0	0	113.5	V98 D99 R106	V98-S102 VanDerWaalsContact CG1-CB 3.5Å; D99-S102 PolarHBondContact O-N 2.8Å; D99-S102 PolarHBondContact OD1-N 3.06Å; D99-S102 PolarHBondContact OD1-OG 2.81Å; D99-S102 WeakPolarHBondContact OD2-CB 3.34Å; D99-S102 PolarHBondContact OD2-OG 3.26Å; S102-R106 WeakPolarHBondContact O-CD 3.48Å; S102-R106 VanDerWaalsContact O-CG 3.27Å; S102-R106 WeakPolarHBondContact O-CG 3.38Å; S102-R106 PolarHBondContact O-NH1 3.13Å
103	C	89.4	Confident	91.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-75.5	-50.3	178.2	-174.4	0	0	0	0	112.2	C80 V98 D99 E100 Q101 N105 R106 K107 F108	C80-C103 VanDerWaalsContact C-SG 3.55Å; C80-C103 HydrophobicContact CB-CB 3.61Å; C80-C103 WeakPolarHBondContact CB-SG 3.29Å; C80-C103 WeakPolarHBondContact O-CB 3.49Å; C80-C103 PolarHBondContact O-SG 3.48Å; C80-C103 VanDerWaalsContact SG-C 3.57Å; C80-C103 WeakPolarHBondContact SG-CB 3.42Å; C80-C103 CovalentContact SG-SG 2.03Å; C80-C103 PolarHBondContact SG-SG 2.65Å; V98-C103 HydrophobicContact CG1-CB 4.3Å; D99-C103 WeakPolarHBondContact O-CB 3.25Å; D99-C103 PolarHBondContact O-N 2.98Å; E100-C103 PolarHBondContact O-N 2.96Å; Q101-C103 VanDerWaalsContact C-N 3.3Å; Q101-C103 PolarHBondContact O-N 3.47Å; C103-N105 VanDerWaalsContact C-N 3.28Å; C103-N105 PolarHBondContact O-N 3.12Å; C103-R106 PolarHBondContact O-N 3.04Å; C103-R106 VanDerWaalsContact O-N 3.12Å; C103-K107 PolarHBondContact O-N 3.31Å; C103-F108 HydrophobicContact CB-CE1 4.37Å; C103-F108 WeakPolarHBondContact SG-CE1 3.34Å; C103-F108 WeakPolarHBondContact SG-CZ 3.37Å
104	Q	89.4	Confident	90.7	Very high	94 Å²	94	55.7 Å²	55.7	44%	0.439	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-33.8	-178.1	-68.8	178.5	13.9	0	0	112.2	N79 C80 E100 Q101 K107	N79-Q104 PolarHBondContact O-NE2 2.85Å; C80-Q104 HydrophobicContact CB-CG 3.96Å; E100-Q104 HydrophobicContact CG-CG 4.36Å; E100-Q104 WeakPolarHBondContact O-CB 3.16Å; E100-Q104 VanDerWaalsContact O-CG 3.3Å; E100-Q104 WeakPolarHBondContact O-CG 3.2Å; E100-Q104 PolarHBondContact O-N 2.93Å; E100-Q104 PolarHBondContact OE1-NE2 3.13Å; Q101-Q104 PolarHBondContact O-N 3Å; Q104-K107 WeakPolarHBondContact O-CG 3.18Å
105	N	88.7	Confident	90.1	Very high	114 Å²	114	55 Å²	55	61%	0.61	28%	0.28	S	S	*	.	H	α-helix	trans	-64.9	-39.5	173.5	-78.7	-22.7	0	0	0	112.9	Q101 C103	Q101-N105 WeakPolarHBondContact O-CB 3.1Å; Q101-N105 PolarHBondContact O-N 3.01Å; Q101-N105 PolarHBondContact O-ND2 3.46Å; C103-N105 VanDerWaalsContact C-N 3.28Å; C103-N105 PolarHBondContact O-N 3.12Å
106	R	87.7	Confident	89.3	Confident	39 Å²	39	53.8 Å²	53.8	15%	0.147	28%	0.275	C	S	.	.	H	α-helix	trans	-68.5	-38.6	-176.8	-79.5	173.3	172.9	81.3	0.5	112.8	S102 C103 F108 Y124 D150 E152	S102-R106 WeakPolarHBondContact O-CD 3.48Å; S102-R106 VanDerWaalsContact O-CG 3.27Å; S102-R106 WeakPolarHBondContact O-CG 3.38Å; S102-R106 PolarHBondContact O-NH1 3.13Å; C103-R106 PolarHBondContact O-N 3.04Å; C103-R106 VanDerWaalsContact O-N 3.12Å; R106-F108 VanDerWaalsContact C-N 3.27Å; R106-F108 HydrophobicContact CB-CD1 3.99Å; R106-F108 PolarHBondContact O-N 3.39Å; R106-Y124 HydrophobicContact CB-CE1 4.07Å; R106-Y124 WeakPolarHBondContact CB-OH 3.16Å; R106-Y124 WeakPolarHBondContact CG-OH 3.36Å; R106-Y124 WeakPolarHBondContact O-CE1 3.31Å; R106-D150 IonicContact CZ-OD1 3.13Å; R106-D150 IonicContact NH1-OD1 3.16Å; R106-D150 PolarHBondContact NH1-OD1 3.15Å; R106-D150 IonicContact NH2-OD1 3.6Å; R106-D150 PolarHBondContact NH2-OD1 3.05Å; R106-E152 IonicContact NE-OE1 3.36Å
107	K	88.2	Confident	88.7	Confident	172 Å²	172	49.8 Å²	49.8	75%	0.748	26%	0.259	S	S	*	.			trans	55.7	39.4	-179.8	-54.2	178.7	-178.1	176.9	0	113.2	C103 Q104	C103-K107 PolarHBondContact O-N 3.31Å; Q104-K107 WeakPolarHBondContact O-CG 3.18Å
108	F	91.9	Very high	88.4	Confident	23 Å²	23	47.7 Å²	47.7	10%	0.101	25%	0.249	C	C	.	.			trans	-71.5	157.8	174.8	63.8	-99.9	0	0	0	111.9	K76 I82 C103 R106 S110 F111 F122 A123 Y124	K76-F108 HydrophobicContact CD-CE2 4.17Å; K76-F108 HydrophobicContact CD-CZ 4.12Å; I82-F108 HydrophobicContact CD1-CE1 4.23Å; I82-F108 HydrophobicContact CD1-CZ 3.8Å; C103-F108 HydrophobicContact CB-CE1 4.37Å; C103-F108 WeakPolarHBondContact SG-CE1 3.34Å; C103-F108 WeakPolarHBondContact SG-CZ 3.37Å; R106-F108 VanDerWaalsContact C-N 3.27Å; R106-F108 HydrophobicContact CB-CD1 3.99Å; R106-F108 PolarHBondContact O-N 3.39Å; F108-S110 WeakPolarHBondContact CD2-O 3.42Å; F108-F111 HydrophobicContact CD2-CB 4.47Å; F108-F111 HydrophobicContact CE2-CB 4.12Å; F108-F111 HydrophobicContact CE2-CD1 4.12Å; F108-F122 HydrophobicContact CB-CB 4.04Å; F108-F122 HydrophobicContact CB-CD1 4.18Å; F108-F122 AromaticContact CD1-CD1 3.35Å; F108-F122 HydrophobicContact CD1-CD1 3.35Å; F108-F122 AromaticContact CD1-CE1 3.78Å; F108-F122 HydrophobicContact CD1-CE1 3.78Å; F108-F122 HydrophobicContact CD1-CG 4.25Å; F108-F122 HydrophobicContact CD2-CD1 4.18Å; F108-F122 AromaticContact CE1-CD1 3.65Å; F108-F122 HydrophobicContact CE1-CD1 3.65Å; F108-F122 AromaticContact CE1-CE1 3.59Å; F108-F122 HydrophobicContact CE1-CE1 3.59Å; F108-F122 HydrophobicContact CE2-CD1 4.44Å; F108-F122 HydrophobicContact CG-CB 4.43Å; F108-F122 AromaticContact CG-CD1 3.65Å; F108-F122 HydrophobicContact CG-CD1 3.65Å; F108-F122 HydrophobicContact CG-CE1 4.43Å; F108-F122 HydrophobicContact CG-CG 4.46Å; F108-F122 HydrophobicContact CZ-CD1 4.21Å; F108-F122 HydrophobicContact CZ-CE1 4.11Å; F108-A123 CarbonylContact C-O 3.58Å; F108-A123 WeakPolarHBondContact CA-O 3.45Å; F108-A123 WeakPolarHBondContact CB-O 3.47Å; F108-Y124 HydrophobicContact CB-CD1 3.91Å; F108-Y124 HydrophobicContact CB-CE1 3.59Å
109	S	91.1	Very high	88.2	Confident	61 Å²	61	47.1 Å²	47.1	43%	0.427	25%	0.246	S	C	.	.	S	Bend	trans	-93.9	-35.1	177.1	-54.6	0	0	0	0	112.4	A123 T126	S109-A123 PolarHBondContact N-O 3.38Å; S109-T126 VanDerWaalsContact CB-OG1 3.27Å; S109-T126 WeakPolarHBondContact CB-OG1 3.35Å; S109-T126 PolarHBondContact OG-OG1 2.91Å
110	S	92.8	Very high	88.2	Confident	14 Å²	14	44.6 Å²	44.6	10%	0.098	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	162.7	172.5	78	0	0	0	0	111.3	F108 A123	F108-S110 WeakPolarHBondContact CD2-O 3.42Å; S110-A123 PolarHBondContact O-N 2.9Å; S110-A123 VanDerWaalsContact OG-CB 3.3Å; S110-A123 WeakPolarHBondContact OG-CB 3.36Å
111	F	94.3	Very high	88.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.3	174.6	74.1	-75.1	0	0	0	110.3	Q64 K66 A74 K76 I82 F108 P113 I120 A121 F122	Q64-F111 HydrophobicContact CB-CE1 4.1Å; K66-F111 PolarHBondContact NZ-O 3.08Å; A74-F111 HydrophobicContact CB-CE2 4.35Å; K76-F111 HydrophobicContact CB-CE1 3.81Å; K76-F111 HydrophobicContact CB-CZ 4.29Å; I82-F111 HydrophobicContact CD1-CB 4.29Å; I82-F111 HydrophobicContact CD1-CD1 4.3Å; I82-F111 HydrophobicContact CD1-CD2 3.95Å; I82-F111 HydrophobicContact CD1-CE2 4.38Å; I82-F111 HydrophobicContact CD1-CG 3.92Å; I82-F111 HydrophobicContact CG2-CD2 4.32Å; I82-F111 HydrophobicContact CG2-CE2 3.89Å; I82-F111 HydrophobicContact CG2-CZ 4.4Å; F108-F111 HydrophobicContact CD2-CB 4.47Å; F108-F111 HydrophobicContact CE2-CB 4.12Å; F108-F111 HydrophobicContact CE2-CD1 4.12Å; F111-P113 HydrophobicContact CE2-CG 4.5Å; F111-I120 HydrophobicContact CB-CG2 3.91Å; F111-I120 HydrophobicContact CD2-CG2 4.1Å; F111-A121 CarbonylContact C-O 3.26Å; F111-A121 WeakPolarHBondContact CA-O 3.38Å; F111-F122 HydrophobicContact CB-CD1 3.89Å; F111-F122 HydrophobicContact CB-CE1 4Å
112	K	93.3	Very high	88.5	Confident	40 Å²	40	34 Å²	34	17%	0.174	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	101.1	174.6	-70.2	-170	177.9	-163	0	108.4	A121 F168 W170 E244	K112-A121 PolarHBondContact N-O 2.89Å; K112-A121 PolarHBondContact O-N 3.31Å; K112-F168 HydrophobicContact CD-CD1 4.14Å; K112-F168 WeakPolarHBondContact CD-O 3.14Å; K112-F168 PolarHBondContact NZ-O 3.29Å; K112-W170 PolarHBondContact O-NE1 3.11Å; K112-E244 IonicContact NZ-OE1 2.78Å; K112-E244 PolarHBondContact NZ-OE1 3.24Å
113	P	91.4	Very high	88.9	Confident	14 Å²	14	33.1 Å²	33.1	9%	0.091	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	149.8	176.7	32.2	-36.1	0	0	0	111.2	K66 M68 A74 F111 I120 W170	K66-P113 HydrophobicContact CB-CG 4.4Å; M68-P113 HydrophobicContact CG-CB 4.35Å; M68-P113 HydrophobicContact CG-CG 4.02Å; M68-P113 HydrophobicContact SD-CB 3.72Å; M68-P113 HydrophobicContact SD-CG 3.97Å; A74-P113 HydrophobicContact CB-CG 4.21Å; F111-P113 HydrophobicContact CE2-CG 4.5Å; P113-I120 HydrophobicContact CB-CG1 4.37Å; P113-W170 VanDerWaalsContact C-NE1 3.34Å; P113-W170 PolarHBondContact O-NE1 3.39Å
114	S	88.1	Confident	89.1	Confident	4 Å²	4	34.3 Å²	34.3	3%	0.028	18%	0.181	C	C	.	.			trans	-67.5	156.7	168.9	64.1	0	0	0	0	111.2	S116 G117 S118 C119	S114-S116 PolarHBondContact O-N 3Å; S114-G117 PolarHBondContact O-N 2.88Å; S114-S118 PolarHBondContact OG-N 3.05Å; S114-C119 PolarHBondContact N-O 2.65Å; S114-C119 PolarHBondContact OG-N 3.18Å; S114-C119 VanDerWaalsContact OG-N 3.12Å; S114-C119 PolarHBondContact OG-O 2.99Å; S114-C119 VanDerWaalsContact OG-O 3.11Å
115	P	83.2	Confident	89.2	Confident	42 Å²	42	38.7 Å²	38.7	27%	0.273	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-22.6	178.8	-27.3	34.9	0	0	0	115.8	S171	P115-S171 WeakPolarHBondContact CG-O 3.47Å
116	S	77.2	Confident	89.3	Confident	50 Å²	50	35.2 Å²	35.2	35%	0.35	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	5.9	175.6	71.5	0	0	0	0	114.6	S114 S118 D176	S114-S116 PolarHBondContact O-N 3Å; S116-S118 PolarHBondContact O-N 3.35Å; S116-S118 PolarHBondContact OG-OG 2.95Å; S116-D176 WeakPolarHBondContact CB-OD2 3.25Å; S116-D176 PolarHBondContact OG-OD2 3.25Å
117	G	79.1	Confident	89.4	Confident	9 Å²	9	41.3 Å²	41.3	9%	0.093	20%	0.199	C	C	.	.	S	Bend	trans	64.7	-5.6	-175.4	0	0	0	0	0	116.2	M68 S114	M68-G117 VanDerWaalsContact SD-CA 3.55Å; S114-G117 PolarHBondContact O-N 2.88Å
118	S	80.7	Confident	89.4	Confident	11 Å²	11	38.6 Å²	38.6	8%	0.077	19%	0.189	C	C	.	.	S	Bend	trans	-91.3	1.7	-169.3	66.1	0	0	0	0	115.8	S114 S116 C142 S143 D176 R191 R193	S114-S118 PolarHBondContact OG-N 3.05Å; S116-S118 PolarHBondContact O-N 3.35Å; S116-S118 PolarHBondContact OG-OG 2.95Å; S118-C142 VanDerWaalsContact O-CA 3.31Å; S118-C142 WeakPolarHBondContact O-CA 3.49Å; S118-S143 PolarHBondContact O-N 2.88Å; S118-S143 PolarHBondContact O-OG 2.78Å; S118-D176 PolarHBondContact OG-OD2 2.86Å; S118-R191 PolarHBondContact OG-NH1 2.93Å; S118-R193 PolarHBondContact OG-NH1 3.27Å; S118-R193 PolarHBondContact OG-NH2 3.22Å
119	C	86.9	Confident	89.3	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	154.5	156.2	-60.8	0	0	0	0	110.7	S114 I140 T141 C142 W170 R193 I209	S114-C119 PolarHBondContact N-O 2.65Å; S114-C119 PolarHBondContact OG-N 3.18Å; S114-C119 VanDerWaalsContact OG-N 3.12Å; S114-C119 PolarHBondContact OG-O 2.99Å; S114-C119 VanDerWaalsContact OG-O 3.11Å; C119-I140 HydrophobicContact CB-CG2 3.89Å; C119-T141 CarbonylContact C-O 3.59Å; C119-T141 WeakPolarHBondContact CA-O 3.17Å; C119-T141 VanDerWaalsContact CB-O 3.3Å; C119-T141 WeakPolarHBondContact CB-O 3.34Å; C119-C142 HydrophobicContact CB-CB 4.11Å; C119-C142 WeakPolarHBondContact CB-SG 3.17Å; C119-C142 WeakPolarHBondContact SG-CB 3.34Å; C119-C142 CovalentContact SG-SG 2.04Å; C119-C142 PolarHBondContact SG-SG 2.99Å; C119-W170 HydrophobicContact CB-CH2 4.17Å; C119-W170 HydrophobicContact CB-CZ2 4.27Å; C119-R193 WeakPolarHBondContact SG-CD 3.28Å; C119-R193 PolarHBondContact SG-NE 2.77Å; C119-R193 VanDerWaalsContact SG-NE 3.37Å; C119-I209 HydrophobicContact CB-CD1 4.48Å
120	I	90.6	Very high	89.2	Confident	7 Å²	7	38.9 Å²	38.9	4%	0.036	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	128.1	173.3	-55.5	175.5	0	0	0	108.8	I82 L97 V98 F111 P113 F122 I140 T141	I82-I120 HydrophobicContact CG2-CD1 4.31Å; L97-I120 HydrophobicContact CB-CD1 4.04Å; L97-I120 HydrophobicContact CD1-CD1 4.18Å; V98-I120 HydrophobicContact CG2-CD1 3.76Å; F111-I120 HydrophobicContact CB-CG2 3.91Å; F111-I120 HydrophobicContact CD2-CG2 4.1Å; P113-I120 HydrophobicContact CB-CG1 4.37Å; I120-F122 HydrophobicContact CB-CE2 3.89Å; I120-F122 HydrophobicContact CB-CZ 3.84Å; I120-F122 HydrophobicContact CD1-CZ 4.3Å; I120-F122 HydrophobicContact CG2-CD1 4.2Å; I120-F122 HydrophobicContact CG2-CD2 4.33Å; I120-F122 HydrophobicContact CG2-CE1 3.71Å; I120-F122 HydrophobicContact CG2-CE2 3.83Å; I120-F122 HydrophobicContact CG2-CG 4.49Å; I120-F122 HydrophobicContact CG2-CZ 3.49Å; I120-F122 VanDerWaalsContact CG2-CZ 3.49Å; I120-I140 VanDerWaalsContact O-CA 3.32Å; I120-I140 WeakPolarHBondContact O-CA 3.26Å; I120-T141 PolarHBondContact N-O 3.14Å; I120-T141 PolarHBondContact O-N 2.86Å
121	A	93.2	Very high	89	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.6	168.4	0	0	0	0	0	109.8	F111 K112 Y138 I140 F168 W170	F111-A121 CarbonylContact C-O 3.26Å; F111-A121 WeakPolarHBondContact CA-O 3.38Å; K112-A121 PolarHBondContact N-O 2.89Å; K112-A121 PolarHBondContact O-N 3.31Å; A121-Y138 HydrophobicContact CB-CD1 4.43Å; A121-I140 HydrophobicContact CB-CG1 3.9Å; A121-F168 HydrophobicContact CB-CD1 4.06Å; A121-F168 HydrophobicContact CB-CE1 3.47Å; A121-F168 VanDerWaalsContact CB-CE1 3.47Å; A121-F168 HydrophobicContact CB-CZ 3.74Å; A121-W170 HydrophobicContact CB-CZ2 4.08Å
122	F	94.4	Very high	88.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.3	178.7	-63.9	-78.1	0	0	0	110.9	I82 V98 F108 F111 I120 Y124 Y138 N139 T141	I82-F122 HydrophobicContact CD1-CE1 3.74Å; I82-F122 HydrophobicContact CD1-CZ 4.33Å; V98-F122 HydrophobicContact CG2-CZ 4.04Å; F108-F122 HydrophobicContact CB-CB 4.04Å; F108-F122 HydrophobicContact CB-CD1 4.18Å; F108-F122 AromaticContact CD1-CD1 3.35Å; F108-F122 HydrophobicContact CD1-CD1 3.35Å; F108-F122 AromaticContact CD1-CE1 3.78Å; F108-F122 HydrophobicContact CD1-CE1 3.78Å; F108-F122 HydrophobicContact CD1-CG 4.25Å; F108-F122 HydrophobicContact CD2-CD1 4.18Å; F108-F122 AromaticContact CE1-CD1 3.65Å; F108-F122 HydrophobicContact CE1-CD1 3.65Å; F108-F122 AromaticContact CE1-CE1 3.59Å; F108-F122 HydrophobicContact CE1-CE1 3.59Å; F108-F122 HydrophobicContact CE2-CD1 4.44Å; F108-F122 HydrophobicContact CG-CB 4.43Å; F108-F122 AromaticContact CG-CD1 3.65Å; F108-F122 HydrophobicContact CG-CD1 3.65Å; F108-F122 HydrophobicContact CG-CE1 4.43Å; F108-F122 HydrophobicContact CG-CG 4.46Å; F108-F122 HydrophobicContact CZ-CD1 4.21Å; F108-F122 HydrophobicContact CZ-CE1 4.11Å; F111-F122 HydrophobicContact CB-CD1 3.89Å; F111-F122 HydrophobicContact CB-CE1 4Å; I120-F122 HydrophobicContact CB-CE2 3.89Å; I120-F122 HydrophobicContact CB-CZ 3.84Å; I120-F122 HydrophobicContact CD1-CZ 4.3Å; I120-F122 HydrophobicContact CG2-CD1 4.2Å; I120-F122 HydrophobicContact CG2-CD2 4.33Å; I120-F122 HydrophobicContact CG2-CE1 3.71Å; I120-F122 HydrophobicContact CG2-CE2 3.83Å; I120-F122 HydrophobicContact CG2-CG 4.49Å; I120-F122 HydrophobicContact CG2-CZ 3.49Å; I120-F122 VanDerWaalsContact CG2-CZ 3.49Å; F122-Y124 HydrophobicContact CB-CD2 4.4Å; F122-Y124 HydrophobicContact CB-CE1 4.26Å; F122-Y124 HydrophobicContact CB-CE2 3.66Å; F122-Y138 VanDerWaalsContact O-CA 3.26Å; F122-Y138 WeakPolarHBondContact O-CA 3.44Å; F122-N139 PolarHBondContact N-O 3.39Å; F122-N139 PolarHBondContact O-N 3.39Å; F122-T141 HydrophobicContact CE2-CG2 4.18Å
123	A	95.2	Very high	88.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	121.4	175.8	0	0	0	0	0	110.7	F108 S109 S110 A136 Y138	F108-A123 CarbonylContact C-O 3.58Å; F108-A123 WeakPolarHBondContact CA-O 3.45Å; F108-A123 WeakPolarHBondContact CB-O 3.47Å; S109-A123 PolarHBondContact N-O 3.38Å; S110-A123 PolarHBondContact O-N 2.9Å; S110-A123 VanDerWaalsContact OG-CB 3.3Å; S110-A123 WeakPolarHBondContact OG-CB 3.36Å; A123-A136 HydrophobicContact CB-CB 3.91Å; A123-Y138 HydrophobicContact CB-CD1 4.01Å; A123-Y138 HydrophobicContact CB-CE1 3.51Å
124	Y	94.8	Very high	88.8	Confident	25 Å²	25	47.9 Å²	47.9	10%	0.098	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	144.1	-179.2	-62	-67.6	0	0	0	112.1	R106 F108 F122 T126 R137 N139 E152	R106-Y124 HydrophobicContact CB-CE1 4.07Å; R106-Y124 WeakPolarHBondContact CB-OH 3.16Å; R106-Y124 WeakPolarHBondContact CG-OH 3.36Å; R106-Y124 WeakPolarHBondContact O-CE1 3.31Å; F108-Y124 HydrophobicContact CB-CD1 3.91Å; F108-Y124 HydrophobicContact CB-CE1 3.59Å; F122-Y124 HydrophobicContact CB-CD2 4.4Å; F122-Y124 HydrophobicContact CB-CE1 4.26Å; F122-Y124 HydrophobicContact CB-CE2 3.66Å; Y124-T126 PolarHBondContact O-N 2.97Å; Y124-R137 WeakPolarHBondContact CB-O 3.48Å; Y124-R137 PolarHBondContact N-O 3.42Å; Y124-R137 PolarHBondContact O-N 3.22Å; Y124-N139 HydrophobicContact CD2-CB 4.46Å; Y124-N139 HydrophobicContact CE2-CB 3.99Å; Y124-E152 PolarHBondContact OH-OE1 3.12Å
125	R	90	Very high	89.2	Confident	186 Å²	186	48.5 Å²	48.5	70%	0.702	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	54.3	37	176.7	-55	-174.9	179.2	-160.9	-1	113.5	R127	R125-R127 PolarHBondContact O-N 2.84Å
126	T	90.9	Very high	89.8	Confident	41 Å²	41	46.5 Å²	46.5	25%	0.252	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-49	129.5	179.6	-65	0	0	0	0	112.5	S109 Y124 E134 T135	S109-T126 VanDerWaalsContact CB-OG1 3.27Å; S109-T126 WeakPolarHBondContact CB-OG1 3.35Å; S109-T126 PolarHBondContact OG-OG1 2.91Å; Y124-T126 PolarHBondContact O-N 2.97Å; T126-E134 HydrophobicContact CG2-CB 3.75Å; T126-E134 HydrophobicContact CG2-CG 4.23Å; T126-E134 WeakPolarHBondContact CG2-OE2 3.31Å; T126-T135 CarbonylContact C-O 3.54Å; T126-T135 WeakPolarHBondContact CA-O 3.39Å
127	R	90.7	Very high	90.7	Very high	167 Å²	167	47.9 Å²	47.9	63%	0.63	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	113.1	174.8	-68.8	178.4	172.2	-164.7	-5.9	109.6	R125 I129 E134 T135	R125-R127 PolarHBondContact O-N 2.84Å; R127-I129 PolarHBondContact O-N 3.34Å; R127-E134 CarbonylContact O-C 3.6Å; R127-E134 WeakPolarHBondContact O-CA 3.3Å; R127-T135 PolarHBondContact N-O 3.41Å; R127-T135 PolarHBondContact O-N 2.81Å; R127-T135 PolarHBondContact O-OG1 3.16Å
128	Q	88.8	Confident	91.5	Very high	116 Å²	116	47.7 Å²	47.7	54%	0.542	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	121.6	177.5	-168.7	-170.4	25.3	0	0	110.7	Y130 R131 S133 K778	Q128-Y130 VanDerWaalsContact CG-O 3.32Å; Q128-Y130 WeakPolarHBondContact CG-O 3.34Å; Q128-Y130 PolarHBondContact NE2-O 2.91Å; Q128-R131 PolarHBondContact NE2-O 2.85Å; Q128-S133 CarbonylContact C-O 3.56Å; Q128-S133 WeakPolarHBondContact CA-O 3.38Å; Q128-K778 PolarHBondContact O-NZ 3.24Å
129	I	87.9	Confident	92.1	Very high	63 Å²	63	48.3 Å²	48.3	32%	0.323	21%	0.208	S	C	.	.			trans	-84.7	-63.8	-178.1	-64.9	172.5	0	0	0	109.8	R127 S133 T135 K778	R127-I129 PolarHBondContact O-N 3.34Å; I129-S133 WeakPolarHBondContact CB-OG 3.25Å; I129-S133 PolarHBondContact N-O 3.11Å; I129-T135 HydrophobicContact CD1-CG2 3.75Å; I129-K778 PolarHBondContact O-NZ 2.92Å
130	Y	89.6	Confident	92.3	Very high	26 Å²	26	48.3 Å²	48.3	10%	0.102	21%	0.208	C	C	.	.	S	Bend	trans	-112.7	-112.5	172.8	-49.3	-50.9	0	0	0	110.3	Q128 S133 R227 W233 E236 I285	Q128-Y130 VanDerWaalsContact CG-O 3.32Å; Q128-Y130 WeakPolarHBondContact CG-O 3.34Å; Q128-Y130 PolarHBondContact NE2-O 2.91Å; Y130-S133 PolarHBondContact N-OG 2.85Å; Y130-R227 PolarHBondContact OH-NH2 3.36Å; Y130-W233 AromaticContact CD1-CD1 3.54Å; Y130-W233 HydrophobicContact CD2-CB 4.19Å; Y130-W233 AromaticContact CD2-CD1 3.91Å; Y130-W233 HydrophobicContact CD2-CG 4.43Å; Y130-W233 AromaticContact CE1-CD1 3.78Å; Y130-W233 HydrophobicContact CE2-CB 3.85Å; Y130-W233 HydrophobicContact CE2-CG 4.43Å; Y130-W233 AromaticContact CG-CD1 3.6Å; Y130-E236 WeakPolarHBondContact CB-OE1 3.44Å; Y130-I285 HydrophobicContact CE1-CD1 3.95Å; Y130-I285 HydrophobicContact CE1-CG1 4.29Å; Y130-I285 HydrophobicContact CE1-CG2 4.25Å
131	R	88	Confident	92.2	Very high	116 Å²	116	48.7 Å²	48.7	44%	0.438	21%	0.21	S	C	.	.	S	Bend	trans	-101.3	-48.4	-177.5	174.9	179.1	160.5	175.4	-13.8	112.3	Q128 E236 E237	Q128-R131 PolarHBondContact NE2-O 2.85Å; R131-E236 PolarHBondContact N-OE1 3.1Å; R131-E237 WeakPolarHBondContact CB-OE2 3.35Å; R131-E237 VanDerWaalsContact CD-CD 3.42Å; R131-E237 WeakPolarHBondContact CD-OE1 3.48Å; R131-E237 WeakPolarHBondContact CD-OE2 3.46Å; R131-E237 IonicContact CZ-OE1 3.4Å; R131-E237 IonicContact NE-OE1 3.52Å; R131-E237 IonicContact NH1-OE1 2.75Å; R131-E237 PolarHBondContact NH1-OE1 3.41Å
132	H	91	Very high	91.6	Very high	73 Å²	73	49.2 Å²	49.2	34%	0.338	21%	0.214	S	C	.	.	S	Bend	trans	-111	-18.5	-178.5	-62.8	-74.3	0	0	0	113.5	E236 S243	H132-E236 WeakPolarHBondContact CA-OE1 3.3Å; H132-E236 HydrophobicContact CB-CG 3.88Å; H132-E236 PolarHBondContact N-OE1 3.01Å; H132-S243 PolarHBondContact O-OG 3.32Å
133	S	92.5	Very high	90.5	Very high	13 Å²	13	52.3 Å²	52.3	9%	0.091	24%	0.236	C	C	.	.			trans	-76.8	131	174.9	38.8	0	0	0	0	111.7	Q128 I129 Y130 E236	Q128-S133 CarbonylContact C-O 3.56Å; Q128-S133 WeakPolarHBondContact CA-O 3.38Å; I129-S133 WeakPolarHBondContact CB-OG 3.25Å; I129-S133 PolarHBondContact N-O 3.11Å; Y130-S133 PolarHBondContact N-OG 2.85Å; S133-E236 WeakPolarHBondContact CB-OE2 3.07Å; S133-E236 VanDerWaalsContact N-CD 3.28Å; S133-E236 PolarHBondContact N-OE1 3.49Å; S133-E236 PolarHBondContact N-OE2 3.28Å; S133-E236 VanDerWaalsContact OG-CD 3.24Å; S133-E236 PolarHBondContact OG-OE1 3.44Å; S133-E236 VanDerWaalsContact OG-OE1 3.09Å; S133-E236 PolarHBondContact OG-OE2 2.82Å
134	E	93	Very high	88.7	Confident	56 Å²	56	54 Å²	54	26%	0.262	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.2	169.2	66.5	176.7	-151.8	0	0	110.6	T126 R127 Y138	T126-E134 HydrophobicContact CG2-CB 3.75Å; T126-E134 HydrophobicContact CG2-CG 4.23Å; T126-E134 WeakPolarHBondContact CG2-OE2 3.31Å; R127-E134 CarbonylContact O-C 3.6Å; R127-E134 WeakPolarHBondContact O-CA 3.3Å; E134-Y138 PolarHBondContact OE1-OH 3.07Å
135	T	95.6	Very high	86.2	Confident	17 Å²	17	60.7 Å²	60.7	10%	0.104	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.5	161.3	35	0	0	0	0	109.7	T126 R127 I129 L164 I165 Q166	T126-T135 CarbonylContact C-O 3.54Å; T126-T135 WeakPolarHBondContact CA-O 3.39Å; R127-T135 PolarHBondContact N-O 3.41Å; R127-T135 PolarHBondContact O-N 2.81Å; R127-T135 PolarHBondContact O-OG1 3.16Å; I129-T135 HydrophobicContact CD1-CG2 3.75Å; T135-L164 HydrophobicContact CG2-CB 4.37Å; T135-I165 VanDerWaalsContact CA-O 3.32Å; T135-I165 WeakPolarHBondContact CA-O 3.49Å; T135-Q166 HydrophobicContact CG2-CB 4.33Å; T135-Q166 HydrophobicContact CG2-CG 3.61Å
136	A	96.2	Very high	84	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	157.1	-179.5	0	0	0	0	0	111	A123 Y138 I165	A123-A136 HydrophobicContact CB-CB 3.91Å; A136-Y138 HydrophobicContact CB-CD2 4.41Å; A136-Y138 HydrophobicContact CB-CE2 3.93Å; A136-I165 PolarHBondContact N-O 3.02Å; A136-I165 WeakPolarHBondContact O-CB 3.36Å; A136-I165 PolarHBondContact O-N 3.18Å
137	R	96.6	Very high	82.1	Confident	78 Å²	78	56 Å²	56	29%	0.294	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.9	162.4	-74.6	162.3	177.6	-148	1.8	107.2	Y124 G161 G162 E163 L164	Y124-R137 WeakPolarHBondContact CB-O 3.48Å; Y124-R137 PolarHBondContact N-O 3.42Å; Y124-R137 PolarHBondContact O-N 3.22Å; R137-G161 WeakPolarHBondContact CD-O 3.4Å; R137-G161 VanDerWaalsContact CZ-O 3.25Å; R137-G161 PolarHBondContact NE-O 3.27Å; R137-G161 PolarHBondContact NH1-O 2.88Å; R137-G162 PolarHBondContact NE-O 3.49Å; R137-G162 VanDerWaalsContact NE-O 3.12Å; R137-G162 PolarHBondContact NH2-O 3.36Å; R137-E163 WeakPolarHBondContact CG-O 3.45Å; R137-L164 HydrophobicContact CG-CD2 4.35Å
138	Y	95.7	Very high	80.3	Confident	6 Å²	6	53.3 Å²	53.3	2%	0.024	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130	172.2	-66.5	-93.3	0	0	0	110.1	A121 F122 A123 E134 A136 V155 I165 F168	A121-Y138 HydrophobicContact CB-CD1 4.43Å; F122-Y138 VanDerWaalsContact O-CA 3.26Å; F122-Y138 WeakPolarHBondContact O-CA 3.44Å; A123-Y138 HydrophobicContact CB-CD1 4.01Å; A123-Y138 HydrophobicContact CB-CE1 3.51Å; E134-Y138 PolarHBondContact OE1-OH 3.07Å; A136-Y138 HydrophobicContact CB-CD2 4.41Å; A136-Y138 HydrophobicContact CB-CE2 3.93Å; Y138-V155 WeakPolarHBondContact O-CB 3.48Å; Y138-V155 WeakPolarHBondContact O-CG2 3.44Å; Y138-V155 PolarHBondContact O-N 2.66Å; Y138-I165 HydrophobicContact CD2-CB 3.73Å; Y138-I165 HydrophobicContact CD2-CG1 4.14Å; Y138-I165 HydrophobicContact CD2-CG2 3.91Å; Y138-I165 HydrophobicContact CE2-CB 3.97Å; Y138-I165 HydrophobicContact CE2-CG2 3.97Å; Y138-F168 HydrophobicContact CD1-CB 4.33Å; Y138-F168 HydrophobicContact CD1-CG 4.41Å; Y138-F168 HydrophobicContact CD2-CB 4.06Å; Y138-F168 HydrophobicContact CE1-CB 4.15Å; Y138-F168 HydrophobicContact CE2-CB 3.86Å; Y138-F168 HydrophobicContact CG-CB 4.29Å; Y138-F168 HydrophobicContact CG-CG 4.43Å
139	N	93.5	Very high	78.9	Confident	24 Å²	24	53.4 Å²	53.4	13%	0.128	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151	160	-51.8	-20.3	0	0	0	109.3	F122 Y124 E152 Y153 P154	F122-N139 PolarHBondContact N-O 3.39Å; F122-N139 PolarHBondContact O-N 3.39Å; Y124-N139 HydrophobicContact CD2-CB 4.46Å; Y124-N139 HydrophobicContact CE2-CB 3.99Å; N139-E152 HydrophobicContact CB-CB 3.9Å; N139-E152 HydrophobicContact CB-CG 4.27Å; N139-E152 PolarHBondContact ND2-OE2 3.5Å; N139-Y153 CarbonylContact C-O 3.56Å; N139-Y153 WeakPolarHBondContact CA-O 3.26Å; N139-P154 WeakPolarHBondContact OD1-CA 3.23Å
140	I	91.2	Very high	77.7	Confident	1 Å²	1	55 Å²	55	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.6	-177.4	-59.7	159.1	0	0	0	109.6	C119 I120 A121 E152 Y153 V155 F168 W170 I209	C119-I140 HydrophobicContact CB-CG2 3.89Å; I120-I140 VanDerWaalsContact O-CA 3.32Å; I120-I140 WeakPolarHBondContact O-CA 3.26Å; A121-I140 HydrophobicContact CB-CG1 3.9Å; I140-E152 CarbonylContact O-C 3.59Å; I140-E152 WeakPolarHBondContact O-CA 3.3Å; I140-Y153 PolarHBondContact N-O 3.06Å; I140-Y153 WeakPolarHBondContact O-CD2 3.19Å; I140-Y153 PolarHBondContact O-N 3Å; I140-V155 HydrophobicContact CD1-CG2 3.55Å; I140-V155 HydrophobicContact CG1-CG2 3.91Å; I140-F168 HydrophobicContact CD1-CE2 4.3Å; I140-F168 HydrophobicContact CD1-CZ 4.26Å; I140-W170 HydrophobicContact CD1-CH2 3.95Å; I140-W170 HydrophobicContact CG1-CH2 4.31Å; I140-W170 HydrophobicContact CG1-CZ2 4.48Å; I140-W170 HydrophobicContact CG2-CH2 4Å; I140-W170 HydrophobicContact CG2-CZ2 4.28Å; I140-I209 HydrophobicContact CD1-CG1 4.21Å; I140-I209 HydrophobicContact CD1-CG2 4.45Å; I140-I209 HydrophobicContact CG2-CD1 3.8Å
141	T	87.5	Confident	77.2	Confident	14 Å²	14	60.6 Å²	60.6	9%	0.086	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	157.5	162.3	68	0	0	0	0	110.3	C119 I120 F122 E152	C119-T141 CarbonylContact C-O 3.59Å; C119-T141 WeakPolarHBondContact CA-O 3.17Å; C119-T141 VanDerWaalsContact CB-O 3.3Å; C119-T141 WeakPolarHBondContact CB-O 3.34Å; I120-T141 PolarHBondContact N-O 3.14Å; I120-T141 PolarHBondContact O-N 2.86Å; F122-T141 HydrophobicContact CE2-CG2 4.18Å; T141-E152 HydrophobicContact CG2-CG 3.79Å
142	C	81.5	Confident	77.1	Confident	12 Å²	12	58 Å²	58	8%	0.081	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	134.4	-178.1	-63.3	0	0	0	0	111.8	S118 C119 L144 I209	S118-C142 VanDerWaalsContact O-CA 3.31Å; S118-C142 WeakPolarHBondContact O-CA 3.49Å; C119-C142 HydrophobicContact CB-CB 4.11Å; C119-C142 WeakPolarHBondContact CB-SG 3.17Å; C119-C142 WeakPolarHBondContact SG-CB 3.34Å; C119-C142 CovalentContact SG-SG 2.04Å; C119-C142 PolarHBondContact SG-SG 2.99Å; C142-L144 VanDerWaalsContact C-N 3.26Å; C142-L144 PolarHBondContact O-N 3.41Å; C142-L144 VanDerWaalsContact O-N 3.09Å; C142-I209 WeakPolarHBondContact SG-CD1 3.39Å
143	S	71	Confident	77	Confident	64 Å²	64	56 Å²	56	45%	0.448	30%	0.3	S	S	.	.			trans	-86.7	38.1	-173.4	52.3	0	0	0	0	114.3	S118	S118-S143 PolarHBondContact O-N 2.88Å; S118-S143 PolarHBondContact O-OG 2.78Å
144	L	56.7	Low	77.1	Confident	36 Å²	36	57.4 Å²	57.4	19%	0.188	31%	0.308	C	S	.	.			trans	-85	127.1	-178.7	-74.7	-179.7	0	0	0	112.6	C142 G146 V147	C142-L144 VanDerWaalsContact C-N 3.26Å; C142-L144 PolarHBondContact O-N 3.41Å; C142-L144 VanDerWaalsContact O-N 3.09Å; L144-G146 PolarHBondContact O-N 3.18Å; L144-V147 HydrophobicContact CB-CG2 4.28Å; L144-V147 PolarHBondContact O-N 2.79Å
145	I	42.9	Very low	77.2	Confident	166 Å²	166	54.8 Å²	54.8	85%	0.851	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	120.5	168.2	-61.1	160.8	0	0	0	109.5
146	G	44.4	Very low	77.2	Confident	83 Å²	83	54 Å²	54	86%	0.856	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.3	-1.3	-176.9	0	0	0	0	0	115.1	L144	L144-G146 PolarHBondContact O-N 3.18Å
147	V	50.5	Low	77.1	Confident	46 Å²	46	55.4 Å²	55.4	28%	0.279	30%	0.301	S	S	.	.	S	Bend	trans	-115.5	138.5	165.9	-174.5	0	0	0	0	108.1	L144 H149 Y153	L144-V147 HydrophobicContact CB-CG2 4.28Å; L144-V147 PolarHBondContact O-N 2.79Å; V147-H149 PolarHBondContact O-N 3.19Å; V147-Y153 HydrophobicContact CG1-CE2 4.29Å; V147-Y153 WeakPolarHBondContact CG1-OH 3.33Å
148	D	52.2	Low	76.9	Confident	110 Å²	110	57.7 Å²	57.7	59%	0.588	32%	0.318	S	S	*	.			trans	-61.7	126.7	173.1	-179.9	-4.9	0	0	0	110	D150 R151	D148-D150 PolarHBondContact O-N 2.95Å; D148-D150 PolarHBondContact OD1-N 3.18Å; D148-D150 VanDerWaalsContact OD1-N 3.1Å; D148-R151 HydrophobicContact CB-CB 4.11Å; D148-R151 VanDerWaalsContact O-CB 3.3Å; D148-R151 WeakPolarHBondContact O-CB 3.28Å; D148-R151 PolarHBondContact O-N 2.96Å
149	H	59.1	Low	76.8	Confident	117 Å²	117	60 Å²	60	54%	0.542	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.2	-175.8	-76.4	-88.7	0	0	0	112.8	V147	V147-H149 PolarHBondContact O-N 3.19Å
150	D	63.9	Low	76.7	Confident	96 Å²	96	63.4 Å²	63.4	51%	0.513	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	0.4	176.4	-78.2	-44.1	0	0	0	113.5	R106 D148 E152	R106-D150 IonicContact CZ-OD1 3.13Å; R106-D150 IonicContact NH1-OD1 3.16Å; R106-D150 PolarHBondContact NH1-OD1 3.15Å; R106-D150 IonicContact NH2-OD1 3.6Å; R106-D150 PolarHBondContact NH2-OD1 3.05Å; D148-D150 PolarHBondContact O-N 2.95Å; D148-D150 PolarHBondContact OD1-N 3.18Å; D148-D150 VanDerWaalsContact OD1-N 3.1Å; D150-E152 PolarHBondContact O-N 3.15Å
151	R	78.5	Confident	76.7	Confident	145 Å²	145	64.2 Å²	64.2	55%	0.547	36%	0.359	S	S	.	.			trans	-72	106.7	176.6	-174.7	169.5	-178.9	174.2	4.1	111.6	D148 Y153	D148-R151 HydrophobicContact CB-CB 4.11Å; D148-R151 VanDerWaalsContact O-CB 3.3Å; D148-R151 WeakPolarHBondContact O-CB 3.28Å; D148-R151 PolarHBondContact O-N 2.96Å; R151-Y153 HydrophobicContact CB-CE2 4.49Å; R151-Y153 WeakPolarHBondContact CD-OH 3.38Å; R151-Y153 HydrophobicContact CG-CE1 4.46Å; R151-Y153 HydrophobicContact CG-CE2 4.05Å
152	E	85.4	Confident	77	Confident	61 Å²	61	65 Å²	65	29%	0.285	37%	0.37	S	S	.	.			trans	-81.8	136.9	172.8	-71.1	-156.9	151.1	0	0	112.9	R106 Y124 N139 I140 T141 D150	R106-E152 IonicContact NE-OE1 3.36Å; Y124-E152 PolarHBondContact OH-OE1 3.12Å; N139-E152 HydrophobicContact CB-CB 3.9Å; N139-E152 HydrophobicContact CB-CG 4.27Å; N139-E152 PolarHBondContact ND2-OE2 3.5Å; I140-E152 CarbonylContact O-C 3.59Å; I140-E152 WeakPolarHBondContact O-CA 3.3Å; T141-E152 HydrophobicContact CG2-CG 3.79Å; D150-E152 PolarHBondContact O-N 3.15Å
153	Y	90.3	Very high	77.7	Confident	32 Å²	32	64.9 Å²	64.9	13%	0.125	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	109.6	175.4	-64.7	-83.7	0	0	0	110.1	N139 I140 V147 R151 I209 L210	N139-Y153 CarbonylContact C-O 3.56Å; N139-Y153 WeakPolarHBondContact CA-O 3.26Å; I140-Y153 PolarHBondContact N-O 3.06Å; I140-Y153 WeakPolarHBondContact O-CD2 3.19Å; I140-Y153 PolarHBondContact O-N 3Å; V147-Y153 HydrophobicContact CG1-CE2 4.29Å; V147-Y153 WeakPolarHBondContact CG1-OH 3.33Å; R151-Y153 HydrophobicContact CB-CE2 4.49Å; R151-Y153 WeakPolarHBondContact CD-OH 3.38Å; R151-Y153 HydrophobicContact CG-CE1 4.46Å; R151-Y153 HydrophobicContact CG-CE2 4.05Å; Y153-I209 VanDerWaalsContact CB-CG2 3.47Å; Y153-I209 HydrophobicContact CD1-CG2 4.14Å; Y153-I209 HydrophobicContact CD2-CG2 4.18Å; Y153-I209 HydrophobicContact CG-CG2 3.67Å; Y153-L210 HydrophobicContact CD1-CD2 3.86Å; Y153-L210 HydrophobicContact CE1-CD2 3.39Å
154	P	93.6	Very high	78.8	Confident	41 Å²	41	64.6 Å²	64.6	27%	0.266	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	142.3	-178.9	-20.7	32.9	0	0	0	113.7	N139	N139-P154 WeakPolarHBondContact OD1-CA 3.23Å
155	V	95	Very high	80.7	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.012	35%	0.352	C	S	.	.			trans	-94.5	131.4	175	-176.7	0	0	0	0	110.3	Y138 I140 I165 F168 F197	Y138-V155 WeakPolarHBondContact O-CB 3.48Å; Y138-V155 WeakPolarHBondContact O-CG2 3.44Å; Y138-V155 PolarHBondContact O-N 2.66Å; I140-V155 HydrophobicContact CD1-CG2 3.55Å; I140-V155 HydrophobicContact CG1-CG2 3.91Å; V155-I165 HydrophobicContact CG1-CD1 4.43Å; V155-I165 HydrophobicContact CG1-CG1 4.34Å; V155-F168 HydrophobicContact CG1-CD2 4.01Å; V155-F168 HydrophobicContact CG1-CE2 4.18Å; V155-F168 HydrophobicContact CG2-CD2 4.27Å; V155-F168 HydrophobicContact CG2-CE2 3.9Å; V155-F197 HydrophobicContact CG1-CB 4.1Å; V155-F197 HydrophobicContact CG1-CD1 3.5Å; V155-F197 HydrophobicContact CG1-CD2 4.36Å; V155-F197 HydrophobicContact CG1-CE1 3.93Å; V155-F197 HydrophobicContact CG1-CG 3.74Å
156	G	94.8	Very high	83.3	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.319	C	S	.	.	S	Bend	trans	160.1	167.4	176.8	0	0	0	0	0	110	N158 K159 F197	G156-N158 PolarHBondContact O-N 3.39Å; G156-K159 PolarHBondContact O-N 3.33Å; G156-F197 VanDerWaalsContact C-CZ 3.46Å
157	P	94.2	Very high	85.8	Confident	30 Å²	30	53 Å²	53	20%	0.195	28%	0.28	C	S	.	.	S	Bend	trans	-61.2	-33.7	176.3	26.7	-35	0	0	0	112.1	Y199 Y204	P157-Y199 HydrophobicContact CG-CD1 3.66Å; P157-Y199 HydrophobicContact CG-CE1 3.83Å; P157-Y199 HydrophobicContact CG-CG 4.43Å; P157-Y204 HydrophobicContact CB-CD1 4.26Å; P157-Y204 HydrophobicContact CB-CE1 3.86Å
158	N	94.2	Very high	87.9	Confident	125 Å²	125	50.8 Å²	50.8	67%	0.668	27%	0.267	S	S	*	.	S	Bend	trans	-106.5	-2.5	-176.6	-61.6	-22.4	0	0	0	112.9	G156 T160 E163	G156-N158 PolarHBondContact O-N 3.39Å; N158-T160 HydrophobicContact CB-CG2 3.75Å; N158-T160 PolarHBondContact O-N 2.77Å; N158-E163 PolarHBondContact N-OE1 3.25Å
159	K	92	Very high	89.9	Confident	54 Å²	54	46.8 Å²	46.8	24%	0.235	25%	0.245	C	C	.	.			trans	52.9	33.6	177.9	-53.5	167.9	-173.9	162.9	0	113.8	G156 E163 L210 S211 D212	G156-K159 PolarHBondContact O-N 3.33Å; K159-E163 PolarHBondContact N-OE1 2.93Å; K159-L210 PolarHBondContact NZ-O 3.32Å; K159-L210 VanDerWaalsContact NZ-O 3.12Å; K159-S211 WeakPolarHBondContact CE-O 3.34Å; K159-S211 VanDerWaalsContact NZ-C 3.3Å; K159-S211 PolarHBondContact NZ-O 2.82Å; K159-D212 IonicContact NZ-OD1 2.68Å; K159-D212 PolarHBondContact NZ-OD1 3.26Å
160	T	93.1	Very high	91.5	Very high	97 Å²	97	42.6 Å²	42.6	60%	0.595	22%	0.224	S	C	*	.			trans	-82.3	-18.7	-173.5	76.2	0	0	0	0	114	N158 G162 E163	N158-T160 HydrophobicContact CB-CG2 3.75Å; N158-T160 PolarHBondContact O-N 2.77Å; T160-G162 PolarHBondContact O-N 3.47Å; T160-G162 PolarHBondContact OG1-N 3.13Å; T160-E163 WeakPolarHBondContact CA-OE2 3.46Å; T160-E163 WeakPolarHBondContact CB-OE2 3.39Å; T160-E163 PolarHBondContact N-OE1 3.24Å; T160-E163 VanDerWaalsContact N-OE1 3.14Å; T160-E163 PolarHBondContact N-OE2 3.12Å; T160-E163 PolarHBondContact OG1-OE2 3Å
161	G	90.7	Very high	92.6	Very high	17 Å²	17	38.5 Å²	38.5	18%	0.175	20%	0.203	C	C	.	.	S	Bend	trans	72.3	6	-168.8	0	0	0	0	0	113.3	R137 E163	R137-G161 WeakPolarHBondContact CD-O 3.4Å; R137-G161 VanDerWaalsContact CZ-O 3.25Å; R137-G161 PolarHBondContact NE-O 3.27Å; R137-G161 PolarHBondContact NH1-O 2.88Å; G161-E163 PolarHBondContact N-OE2 3.08Å
162	G	93.5	Very high	92.7	Very high	30 Å²	30	33.8 Å²	33.8	31%	0.309	19%	0.191	S	C	.	.			trans	-83	-33	168.5	0	0	0	0	0	112.7	R137 T160	R137-G162 PolarHBondContact NE-O 3.49Å; R137-G162 VanDerWaalsContact NE-O 3.12Å; R137-G162 PolarHBondContact NH2-O 3.36Å; T160-G162 PolarHBondContact O-N 3.47Å; T160-G162 PolarHBondContact OG1-N 3.13Å
163	E	95.2	Very high	91.6	Very high	11 Å²	11	33 Å²	33	5%	0.051	20%	0.199	C	C	.	.			trans	-63	136.9	-167.5	-61.6	98.8	132.2	0	0	113.8	R137 N158 K159 T160 G161 I165 Y199	R137-E163 WeakPolarHBondContact CG-O 3.45Å; N158-E163 PolarHBondContact N-OE1 3.25Å; K159-E163 PolarHBondContact N-OE1 2.93Å; T160-E163 WeakPolarHBondContact CA-OE2 3.46Å; T160-E163 WeakPolarHBondContact CB-OE2 3.39Å; T160-E163 PolarHBondContact N-OE1 3.24Å; T160-E163 VanDerWaalsContact N-OE1 3.14Å; T160-E163 PolarHBondContact N-OE2 3.12Å; T160-E163 PolarHBondContact OG1-OE2 3Å; G161-E163 PolarHBondContact N-OE2 3.08Å; E163-I165 HydrophobicContact CB-CD1 4.18Å; E163-Y199 HydrophobicContact CB-CD2 4.19Å; E163-Y199 HydrophobicContact CB-CE2 3.99Å; E163-Y199 HydrophobicContact CG-CE2 4.15Å
164	L	95.5	Very high	89.5	Confident	57 Å²	57	36.9 Å²	36.9	30%	0.298	23%	0.231	S	C	.	.			trans	-100.3	103.5	174.1	-72.3	176.4	0	0	0	108.8	T135 R137	T135-L164 HydrophobicContact CG2-CB 4.37Å; R137-L164 HydrophobicContact CG-CD2 4.35Å
165	I	96.8	Very high	87.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-87.1	131.8	-178.4	-54.9	-56.2	0	0	0	108.9	T135 A136 Y138 V155 E163 L167 F168 F197 Y199	T135-I165 VanDerWaalsContact CA-O 3.32Å; T135-I165 WeakPolarHBondContact CA-O 3.49Å; A136-I165 PolarHBondContact N-O 3.02Å; A136-I165 WeakPolarHBondContact O-CB 3.36Å; A136-I165 PolarHBondContact O-N 3.18Å; Y138-I165 HydrophobicContact CD2-CB 3.73Å; Y138-I165 HydrophobicContact CD2-CG1 4.14Å; Y138-I165 HydrophobicContact CD2-CG2 3.91Å; Y138-I165 HydrophobicContact CE2-CB 3.97Å; Y138-I165 HydrophobicContact CE2-CG2 3.97Å; V155-I165 HydrophobicContact CG1-CD1 4.43Å; V155-I165 HydrophobicContact CG1-CG1 4.34Å; E163-I165 HydrophobicContact CB-CD1 4.18Å; I165-L167 WeakPolarHBondContact CG2-O 3.41Å; I165-F168 HydrophobicContact CG2-CB 4.46Å; I165-F197 HydrophobicContact CD1-CD2 3.93Å; I165-F197 HydrophobicContact CD1-CE2 4.41Å; I165-F197 HydrophobicContact CG2-CB 3.86Å; I165-Y199 HydrophobicContact CD1-CD2 4.23Å; I165-Y199 HydrophobicContact CD1-CG 4.5Å
166	Q	96.5	Very high	84.7	Confident	35 Å²	35	41.7 Å²	41.7	16%	0.164	26%	0.255	C	S	.	.	S	Bend	trans	-90.3	-25	-177.7	-62.8	167.2	-101.6	0	0	113	T135 V198 N201 V230	T135-Q166 HydrophobicContact CG2-CB 4.33Å; T135-Q166 HydrophobicContact CG2-CG 3.61Å; Q166-V198 HydrophobicContact CB-CB 4.4Å; Q166-V198 HydrophobicContact CB-CG1 4.33Å; Q166-V198 PolarHBondContact N-O 3.41Å; Q166-N201 PolarHBondContact NE2-OD1 3.34Å; Q166-V230 HydrophobicContact CB-CG1 4.19Å
167	L	96.4	Very high	81.8	Confident	6 Å²	6	44.8 Å²	44.8	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	139.3	176.7	176.3	59	0	0	0	109.1	I165 Q169 F197 V198 G229 V230 E244 L246	I165-L167 WeakPolarHBondContact CG2-O 3.41Å; L167-Q169 HydrophobicContact CD1-CG 4.11Å; L167-Q169 HydrophobicContact CG-CG 4.45Å; L167-F197 CarbonylContact O-C 3.33Å; L167-F197 WeakPolarHBondContact O-CA 3.19Å; L167-F197 WeakPolarHBondContact O-CB 3.36Å; L167-V198 HydrophobicContact CB-CB 3.98Å; L167-V198 HydrophobicContact CB-CG2 3.94Å; L167-V198 HydrophobicContact CD2-CG2 4.19Å; L167-V198 PolarHBondContact O-N 3.44Å; L167-G229 VanDerWaalsContact CD2-O 3.32Å; L167-G229 WeakPolarHBondContact CD2-O 3.31Å; L167-V230 HydrophobicContact CB-CG1 3.71Å; L167-V230 HydrophobicContact CD2-CG1 4.24Å; L167-E244 HydrophobicContact CD1-CB 4.11Å; L167-E244 VanDerWaalsContact CD1-CD 3.43Å; L167-E244 HydrophobicContact CD1-CG 3.55Å; L167-E244 WeakPolarHBondContact CD1-OE1 3.28Å; L167-L246 HydrophobicContact CD2-CB 4.07Å
168	F	96	Very high	79.3	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	127	169.2	178.7	-87	0	0	0	109.7	K112 A121 Y138 I140 V155 I165 W170 Q195 F197	K112-F168 HydrophobicContact CD-CD1 4.14Å; K112-F168 WeakPolarHBondContact CD-O 3.14Å; K112-F168 PolarHBondContact NZ-O 3.29Å; A121-F168 HydrophobicContact CB-CD1 4.06Å; A121-F168 HydrophobicContact CB-CE1 3.47Å; A121-F168 VanDerWaalsContact CB-CE1 3.47Å; A121-F168 HydrophobicContact CB-CZ 3.74Å; Y138-F168 HydrophobicContact CD1-CB 4.33Å; Y138-F168 HydrophobicContact CD1-CG 4.41Å; Y138-F168 HydrophobicContact CD2-CB 4.06Å; Y138-F168 HydrophobicContact CE1-CB 4.15Å; Y138-F168 HydrophobicContact CE2-CB 3.86Å; Y138-F168 HydrophobicContact CG-CB 4.29Å; Y138-F168 HydrophobicContact CG-CG 4.43Å; I140-F168 HydrophobicContact CD1-CE2 4.3Å; I140-F168 HydrophobicContact CD1-CZ 4.26Å; V155-F168 HydrophobicContact CG1-CD2 4.01Å; V155-F168 HydrophobicContact CG1-CE2 4.18Å; V155-F168 HydrophobicContact CG2-CD2 4.27Å; V155-F168 HydrophobicContact CG2-CE2 3.9Å; I165-F168 HydrophobicContact CG2-CB 4.46Å; F168-W170 HydrophobicContact CE1-CD2 4.01Å; F168-W170 AromaticContact CE1-CE2 3.71Å; F168-W170 HydrophobicContact CE1-CG 4.22Å; F168-W170 HydrophobicContact CE1-CZ2 4.15Å; F168-W170 AromaticContact CE1-NE1 3.7Å; F168-W170 HydrophobicContact CZ-CD2 4.04Å; F168-W170 AromaticContact CZ-CE2 3.83Å; F168-W170 HydrophobicContact CZ-CE3 4.28Å; F168-W170 HydrophobicContact CZ-CH2 4.14Å; F168-W170 AromaticContact CZ-CZ2 3.91Å; F168-W170 HydrophobicContact CZ-CZ2 3.91Å; F168-W170 HydrophobicContact CZ-CZ3 4.32Å; F168-Q195 HydrophobicContact CE2-CB 4.14Å; F168-Q195 HydrophobicContact CE2-CG 4.29Å; F168-Q195 HydrophobicContact CZ-CB 4.15Å; F168-F197 HydrophobicContact CD2-CB 4.31Å
169	Q	94.3	Very high	76.6	Confident	26 Å²	26	45.3 Å²	45.3	12%	0.121	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	135.9	174	-71.6	-179.7	-6	0	0	110.5	L167 V196 E244 L246 W248	L167-Q169 HydrophobicContact CD1-CG 4.11Å; L167-Q169 HydrophobicContact CG-CG 4.45Å; Q169-V196 PolarHBondContact N-O 2.81Å; Q169-V196 PolarHBondContact O-N 2.63Å; Q169-E244 PolarHBondContact NE2-OE2 3.4Å; Q169-L246 PolarHBondContact NE2-O 2.82Å; Q169-L246 VanDerWaalsContact NE2-O 3.16Å; Q169-L246 VanDerWaalsContact OE1-CD2 3.3Å; Q169-W248 VanDerWaalsContact OE1-CD1 3.26Å
170	W	91.3	Very high	74	Confident	30 Å²	30	51.7 Å²	51.7	11%	0.114	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	148.5	162.7	-64.9	113	0	0	0	109.9	K112 P113 C119 A121 I140 F168 Q195 I209	K112-W170 PolarHBondContact O-NE1 3.11Å; P113-W170 VanDerWaalsContact C-NE1 3.34Å; P113-W170 PolarHBondContact O-NE1 3.39Å; C119-W170 HydrophobicContact CB-CH2 4.17Å; C119-W170 HydrophobicContact CB-CZ2 4.27Å; A121-W170 HydrophobicContact CB-CZ2 4.08Å; I140-W170 HydrophobicContact CD1-CH2 3.95Å; I140-W170 HydrophobicContact CG1-CH2 4.31Å; I140-W170 HydrophobicContact CG1-CZ2 4.48Å; I140-W170 HydrophobicContact CG2-CH2 4Å; I140-W170 HydrophobicContact CG2-CZ2 4.28Å; F168-W170 HydrophobicContact CE1-CD2 4.01Å; F168-W170 AromaticContact CE1-CE2 3.71Å; F168-W170 HydrophobicContact CE1-CG 4.22Å; F168-W170 HydrophobicContact CE1-CZ2 4.15Å; F168-W170 AromaticContact CE1-NE1 3.7Å; F168-W170 HydrophobicContact CZ-CD2 4.04Å; F168-W170 AromaticContact CZ-CE2 3.83Å; F168-W170 HydrophobicContact CZ-CE3 4.28Å; F168-W170 HydrophobicContact CZ-CH2 4.14Å; F168-W170 AromaticContact CZ-CZ2 3.91Å; F168-W170 HydrophobicContact CZ-CZ2 3.91Å; F168-W170 HydrophobicContact CZ-CZ3 4.32Å; W170-Q195 HydrophobicContact CE3-CB 3.93Å; W170-Q195 HydrophobicContact CZ3-CB 4.11Å; W170-I209 HydrophobicContact CH2-CD1 4.29Å
171	S	88.1	Confident	71.5	Confident	9 Å²	9	50.2 Å²	50.2	6%	0.063	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-63	140.3	164.9	176.9	0	0	0	0	110.1	P115 F194 G252	P115-S171 WeakPolarHBondContact CG-O 3.47Å; S171-F194 PolarHBondContact N-O 3.01Å; S171-G252 WeakPolarHBondContact OG-CA 3.38Å
172	P	79.7	Confident	69.1	Low	46 Å²	46	56 Å²	56	30%	0.299	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-64.3	152.7	162.5	30.1	-34.1	0	0	0	109.8	W248 S249	P172-W248 VanDerWaalsContact CD-CG 3.44Å; P172-W248 HydrophobicContact CG-CB 3.69Å; P172-W248 HydrophobicContact CG-CG 4.31Å; P172-S249 WeakPolarHBondContact CG-O 3.21Å
173	G	63.2	Low	66.7	Low	45 Å²	45	60.6 Å²	60.6	46%	0.464	32%	0.322	S	S	.	.			trans	140.3	135.6	176.9	0	0	0	0	0	113.1	N175	G173-N175 VanDerWaalsContact C-N 3.31Å
174	S	46.5	Very low	64.1	Low	113 Å²	113	66.6 Å²	66.6	79%	0.79	36%	0.355	S	S	*	.			trans	-82.8	-5.4	175	51	0	0	0	0	113.8	D176	S174-D176 PolarHBondContact O-N 3.16Å
175	N	44.1	Very low	61.4	Low	115 Å²	115	71.4 Å²	71.4	62%	0.615	38%	0.381	S	S	*	.			trans	-79.2	60.4	-172.2	-75.9	-15.4	0	0	0	113.6	G173 S177	G173-N175 VanDerWaalsContact C-N 3.31Å; N175-S177 PolarHBondContact O-N 2.89Å
176	D	42.6	Very low	58.6	Low	30 Å²	30	79.3 Å²	79.3	16%	0.16	42%	0.416	C	S	.	.			trans	-71.7	27.8	153.1	-131.7	25.1	0	0	0	110.9	S116 S118 S174 F178 R191 R193	S116-D176 WeakPolarHBondContact CB-OD2 3.25Å; S116-D176 PolarHBondContact OG-OD2 3.25Å; S118-D176 PolarHBondContact OG-OD2 2.86Å; S174-D176 PolarHBondContact O-N 3.16Å; D176-F178 PolarHBondContact O-N 3.2Å; D176-R191 VanDerWaalsContact CG-CD 3.5Å; D176-R191 WeakPolarHBondContact OD1-CB 3.35Å; D176-R191 WeakPolarHBondContact OD1-CD 3.12Å; D176-R191 WeakPolarHBondContact OD2-CD 3.44Å; D176-R191 IonicContact OD2-CZ 3.7Å; D176-R191 IonicContact OD2-NE 3.76Å; D176-R191 IonicContact OD2-NH1 2.68Å; D176-R191 PolarHBondContact OD2-NH1 3.33Å; D176-R193 IonicContact OD1-NH1 2.68Å; D176-R193 PolarHBondContact OD1-NH1 2.88Å; D176-R193 IonicContact OD2-NH1 2.65Å
177	S	34.9	Very low	55.7	Low	64 Å²	64	82.1 Å²	82.1	45%	0.448	43%	0.431	S	S	.	.			trans	-64.4	127.1	-173.2	53	0	0	0	0	110.4	N175 V179	N175-S177 PolarHBondContact O-N 2.89Å; S177-V179 PolarHBondContact O-N 3.44Å
178	F	40	Very low	53.1	Low	102 Å²	102	88.8 Å²	88.8	45%	0.447	46%	0.46	S	S	.	.			trans	-76.3	86.4	-167	-165.9	-87	0	0	0	112.1	D176 R180 Y189	D176-F178 PolarHBondContact O-N 3.2Å; F178-R180 HydrophobicContact CD1-CG 3.67Å; F178-R180 HydrophobicContact CE1-CG 3.51Å; F178-R180 PolarHBondContact O-N 3.35Å; F178-R180 VanDerWaalsContact O-N 3.12Å; F178-Y189 AromaticContact CE2-CD1 3.59Å; F178-Y189 HydrophobicContact CE2-CD1 3.59Å; F178-Y189 AromaticContact CE2-CE1 3.81Å; F178-Y189 HydrophobicContact CE2-CE1 3.81Å; F178-Y189 AromaticContact CZ-CD1 3.55Å; F178-Y189 HydrophobicContact CZ-CD1 3.55Å; F178-Y189 AromaticContact CZ-CE1 3.5Å; F178-Y189 HydrophobicContact CZ-CE1 3.5Å; F178-Y189 VanDerWaalsContact CZ-CE1 3.5Å
179	V	38.4	Very low	50.5	Low	64 Å²	64	94.8 Å²	94.8	39%	0.388	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	105.1	175.7	-172.1	0	0	0	0	109.8	S177 T181	S177-V179 PolarHBondContact O-N 3.44Å; V179-T181 PolarHBondContact O-N 2.78Å
180	R	38.1	Very low	47.9	Very low	188 Å²	188	94.9 Å²	94.9	71%	0.709	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	89.9	168.2	-73.3	-172.1	-174.3	-140.5	-2.5	110	F178	F178-R180 HydrophobicContact CD1-CG 3.67Å; F178-R180 HydrophobicContact CE1-CG 3.51Å; F178-R180 PolarHBondContact O-N 3.35Å; F178-R180 VanDerWaalsContact O-N 3.12Å
181	T	39.6	Very low	45.8	Very low	66 Å²	66	96.8 Å²	96.8	41%	0.405	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	109.8	166.6	-10.3	0	0	0	0	109.1	V179	V179-T181 PolarHBondContact O-N 2.78Å
182	F	39.6	Very low	44.1	Very low	139 Å²	139	99.5 Å²	99.5	61%	0.61	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	121.1	164.6	-88.4	-83.5	0	0	0	108.6	L187	F182-L187 HydrophobicContact CE1-CD2 3.94Å; F182-L187 HydrophobicContact CE1-CG 4.27Å; F182-L187 HydrophobicContact CE2-CD2 4.06Å; F182-L187 HydrophobicContact CZ-CD2 3.56Å; F182-L187 HydrophobicContact CZ-CG 4.29Å
183	Q	43.3	Very low	43.2	Very low	127 Å²	127	97.8 Å²	97.8	59%	0.593	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.8	134.3	168.2	-166.8	167.4	-2.3	0	0	107.3	N185 F186	Q183-N185 VanDerWaalsContact C-N 3.25Å; Q183-N185 PolarHBondContact O-N 3.49Å; Q183-N185 VanDerWaalsContact O-N 3.14Å; Q183-F186 PolarHBondContact O-N 2.76Å
184	D	40.6	Very low	43.8	Very low	136 Å²	136	97.6 Å²	97.6	73%	0.727	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	39.9	178.3	-49.7	-36.3	0	0	0	114.8	F186	D184-F186 WeakPolarHBondContact O-CD2 3.24Å; D184-F186 PolarHBondContact O-N 2.74Å; D184-F186 VanDerWaalsContact O-N 3.08Å
185	N	39.2	Very low	45.7	Very low	158 Å²	158	92.3 Å²	92.3	85%	0.845	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	6.5	179	-67.7	-31.4	0	0	0	117.2	Q183	Q183-N185 VanDerWaalsContact C-N 3.25Å; Q183-N185 PolarHBondContact O-N 3.49Å; Q183-N185 VanDerWaalsContact O-N 3.14Å
186	F	38.1	Very low	48.1	Very low	167 Å²	167	86.9 Å²	86.9	73%	0.732	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	139.1	172.7	-81.3	-90.1	0	0	0	112.4	Q183 D184 K188	Q183-F186 PolarHBondContact O-N 2.76Å; D184-F186 WeakPolarHBondContact O-CD2 3.24Å; D184-F186 PolarHBondContact O-N 2.74Å; D184-F186 VanDerWaalsContact O-N 3.08Å; F186-K188 PolarHBondContact O-N 2.76Å; F186-K188 VanDerWaalsContact O-N 3.16Å
187	L	36.2	Very low	50.7	Low	93 Å²	93	85.4 Å²	85.4	49%	0.487	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	99.1	172	-79.9	166.7	0	0	0	110	F182 Y189	F182-L187 HydrophobicContact CE1-CD2 3.94Å; F182-L187 HydrophobicContact CE1-CG 4.27Å; F182-L187 HydrophobicContact CE2-CD2 4.06Å; F182-L187 HydrophobicContact CZ-CD2 3.56Å; F182-L187 HydrophobicContact CZ-CG 4.29Å; L187-Y189 HydrophobicContact CB-CD2 4.23Å; L187-Y189 HydrophobicContact CB-CE2 3.66Å; L187-Y189 HydrophobicContact CD1-CE2 4.48Å; L187-Y189 VanDerWaalsContact O-CD2 3.24Å; L187-Y189 WeakPolarHBondContact O-CD2 3.04Å; L187-Y189 PolarHBondContact O-N 2.96Å
188	K	41.1	Very low	53.7	Low	146 Å²	146	82.4 Å²	82.4	64%	0.635	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	100	177.5	-162.7	174.1	-175.7	-179.7	0	110.9	F186 S190	F186-K188 PolarHBondContact O-N 2.76Å; F186-K188 VanDerWaalsContact O-N 3.16Å; K188-S190 VanDerWaalsContact C-N 3.32Å; K188-S190 PolarHBondContact O-N 2.79Å
189	Y	41.3	Very low	56.3	Low	126 Å²	126	80 Å²	80	49%	0.494	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	69.6	-179.4	-68	-103.8	0	0	0	112.5	F178 L187 R191	F178-Y189 AromaticContact CE2-CD1 3.59Å; F178-Y189 HydrophobicContact CE2-CD1 3.59Å; F178-Y189 AromaticContact CE2-CE1 3.81Å; F178-Y189 HydrophobicContact CE2-CE1 3.81Å; F178-Y189 AromaticContact CZ-CD1 3.55Å; F178-Y189 HydrophobicContact CZ-CD1 3.55Å; F178-Y189 AromaticContact CZ-CE1 3.5Å; F178-Y189 HydrophobicContact CZ-CE1 3.5Å; F178-Y189 VanDerWaalsContact CZ-CE1 3.5Å; L187-Y189 HydrophobicContact CB-CD2 4.23Å; L187-Y189 HydrophobicContact CB-CE2 3.66Å; L187-Y189 HydrophobicContact CD1-CE2 4.48Å; L187-Y189 VanDerWaalsContact O-CD2 3.24Å; L187-Y189 WeakPolarHBondContact O-CD2 3.04Å; L187-Y189 PolarHBondContact O-N 2.96Å; Y189-R191 PolarHBondContact O-N 2.7Å; Y189-R191 VanDerWaalsContact O-N 3.14Å
190	S	39.6	Very low	59	Low	29 Å²	29	80.8 Å²	80.8	20%	0.203	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	85	175.7	55.3	0	0	0	0	112.2	K188	K188-S190 VanDerWaalsContact C-N 3.32Å; K188-S190 PolarHBondContact O-N 2.79Å
191	R	48.7	Very low	61.8	Low	70 Å²	70	72.2 Å²	72.2	26%	0.264	35%	0.345	S	S	.	.			trans	-73	121	149.8	-75.9	175.9	176.2	-159.2	11.3	107.2	S118 D176 Y189 R193 H208	S118-R191 PolarHBondContact OG-NH1 2.93Å; D176-R191 VanDerWaalsContact CG-CD 3.5Å; D176-R191 WeakPolarHBondContact OD1-CB 3.35Å; D176-R191 WeakPolarHBondContact OD1-CD 3.12Å; D176-R191 WeakPolarHBondContact OD2-CD 3.44Å; D176-R191 IonicContact OD2-CZ 3.7Å; D176-R191 IonicContact OD2-NE 3.76Å; D176-R191 IonicContact OD2-NH1 2.68Å; D176-R191 PolarHBondContact OD2-NH1 3.33Å; Y189-R191 PolarHBondContact O-N 2.7Å; Y189-R191 VanDerWaalsContact O-N 3.14Å; R191-R193 HydrophobicContact CB-CG 4.43Å; R191-R193 PolarHBondContact O-N 3.4Å; R191-R193 VanDerWaalsContact O-N 3.08Å; R191-H208 PolarHBondContact O-CD2 3.06Å
192	L	50.9	Low	64.5	Low	65 Å²	65	69.9 Å²	69.9	34%	0.34	33%	0.33	S	S	.	.			trans	-80.9	92.9	-174.3	-67.5	174	0	0	0	110.6	F194	L192-F194 HydrophobicContact CB-CD1 4.49Å; L192-F194 HydrophobicContact CB-CE1 3.76Å; L192-F194 HydrophobicContact CB-CE2 4.03Å; L192-F194 HydrophobicContact CB-CZ 3.49Å; L192-F194 VanDerWaalsContact CB-CZ 3.49Å; L192-F194 HydrophobicContact CD1-CE1 4.34Å; L192-F194 HydrophobicContact CD1-CZ 3.99Å; L192-F194 HydrophobicContact CG-CE1 4.45Å; L192-F194 HydrophobicContact CG-CZ 4.31Å; L192-F194 PolarHBondContact O-N 3.2Å
193	R	61.7	Low	67.3	Low	11 Å²	11	63.3 Å²	63.3	4%	0.042	30%	0.301	C	S	.	.			trans	-96.2	76.6	-175.1	-60	178.7	-165.5	-82.9	18.6	110.7	S118 C119 D176 R191 E207 I209	S118-R193 PolarHBondContact OG-NH1 3.27Å; S118-R193 PolarHBondContact OG-NH2 3.22Å; C119-R193 WeakPolarHBondContact SG-CD 3.28Å; C119-R193 PolarHBondContact SG-NE 2.77Å; C119-R193 VanDerWaalsContact SG-NE 3.37Å; D176-R193 IonicContact OD1-NH1 2.68Å; D176-R193 PolarHBondContact OD1-NH1 2.88Å; D176-R193 IonicContact OD2-NH1 2.65Å; R191-R193 HydrophobicContact CB-CG 4.43Å; R191-R193 PolarHBondContact O-N 3.4Å; R191-R193 VanDerWaalsContact O-N 3.08Å; R193-E207 CarbonylContact C-O 3.59Å; R193-E207 VanDerWaalsContact C-O 3.26Å; R193-I209 HydrophobicContact CB-CD1 4.49Å
194	F	75.9	Confident	69.9	Low	41 Å²	41	58.2 Å²	58.2	18%	0.18	28%	0.277	C	S	.	.			trans	-70.6	134.3	179.9	-36.3	-75.3	0	0	0	111.5	S171 L192 Y205 Q206 E207 K304	S171-F194 PolarHBondContact N-O 3.01Å; L192-F194 HydrophobicContact CB-CD1 4.49Å; L192-F194 HydrophobicContact CB-CE1 3.76Å; L192-F194 HydrophobicContact CB-CE2 4.03Å; L192-F194 HydrophobicContact CB-CZ 3.49Å; L192-F194 VanDerWaalsContact CB-CZ 3.49Å; L192-F194 HydrophobicContact CD1-CE1 4.34Å; L192-F194 HydrophobicContact CD1-CZ 3.99Å; L192-F194 HydrophobicContact CG-CE1 4.45Å; L192-F194 HydrophobicContact CG-CZ 4.31Å; L192-F194 PolarHBondContact O-N 3.2Å; F194-Y205 HydrophobicContact CB-CE2 4.07Å; F194-Y205 HydrophobicContact CD1-CE2 4.45Å; F194-Y205 WeakPolarHBondContact CD1-OH 2.87Å; F194-Q206 WeakPolarHBondContact CA-O 3.2Å; F194-E207 HydrophobicContact CD1-CG 3.78Å; F194-E207 WeakPolarHBondContact CD1-O 3.25Å; F194-E207 HydrophobicContact CE1-CG 3.77Å; F194-E207 PolarHBondContact N-O 3.35Å; F194-K304 VanDerWaalsContact CD2-NZ 3.28Å
195	Q	85.5	Confident	72.5	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	154.3	174	64.3	-172.6	27.1	0	0	111.5	F168 W170 Q206	F168-Q195 HydrophobicContact CE2-CB 4.14Å; F168-Q195 HydrophobicContact CE2-CG 4.29Å; F168-Q195 HydrophobicContact CZ-CB 4.15Å; W170-Q195 HydrophobicContact CE3-CB 3.93Å; W170-Q195 HydrophobicContact CZ3-CB 4.11Å; Q195-Q206 HydrophobicContact CG-CB 3.93Å; Q195-Q206 PolarHBondContact N-O 3.29Å; Q195-Q206 PolarHBondContact O-N 3Å
196	V	94.9	Very high	75	Confident	1 Å²	1	45 Å²	45	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139.2	171.4	158.6	0	0	0	0	109.3	Q169 I203 Y204 Y205 L246 W248 F255	Q169-V196 PolarHBondContact N-O 2.81Å; Q169-V196 PolarHBondContact O-N 2.63Å; V196-I203 HydrophobicContact CG1-CG2 3.75Å; V196-Y204 VanDerWaalsContact CA-O 3.3Å; V196-Y204 WeakPolarHBondContact CA-O 3.08Å; V196-Y205 HydrophobicContact CG2-CD2 4.01Å; V196-L246 HydrophobicContact CG1-CD1 3.71Å; V196-L246 HydrophobicContact CG1-CD2 4.17Å; V196-W248 HydrophobicContact CB-CZ2 3.78Å; V196-W248 HydrophobicContact CG2-CH2 3.82Å; V196-W248 HydrophobicContact CG2-CZ2 3.33Å; V196-F255 HydrophobicContact CG2-CD1 4.03Å; V196-F255 HydrophobicContact CG2-CE1 3.56Å; V196-F255 HydrophobicContact CG2-CZ 4.27Å
197	F	96.7	Very high	77.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	153.5	173.8	61.2	-96.6	0	0	0	111.9	V155 G156 I165 L167 F168 Y204 Q206 A213	V155-F197 HydrophobicContact CG1-CB 4.1Å; V155-F197 HydrophobicContact CG1-CD1 3.5Å; V155-F197 HydrophobicContact CG1-CD2 4.36Å; V155-F197 HydrophobicContact CG1-CE1 3.93Å; V155-F197 HydrophobicContact CG1-CG 3.74Å; G156-F197 VanDerWaalsContact C-CZ 3.46Å; I165-F197 HydrophobicContact CD1-CD2 3.93Å; I165-F197 HydrophobicContact CD1-CE2 4.41Å; I165-F197 HydrophobicContact CG2-CB 3.86Å; L167-F197 CarbonylContact O-C 3.33Å; L167-F197 WeakPolarHBondContact O-CA 3.19Å; L167-F197 WeakPolarHBondContact O-CB 3.36Å; F168-F197 HydrophobicContact CD2-CB 4.31Å; F197-Y204 HydrophobicContact CD2-CD2 4.18Å; F197-Y204 HydrophobicContact CD2-CG 4.31Å; F197-Y204 VanDerWaalsContact CE2-CB 3.45Å; F197-Y204 HydrophobicContact CE2-CD1 4.48Å; F197-Y204 AromaticContact CE2-CD2 3.79Å; F197-Y204 HydrophobicContact CE2-CD2 3.79Å; F197-Y204 AromaticContact CE2-CG 3.66Å; F197-Y204 HydrophobicContact CE2-CG 3.66Å; F197-Y204 HydrophobicContact CZ-CG 4.06Å; F197-Y204 PolarHBondContact N-O 3.19Å; F197-Y204 PolarHBondContact O-N 3.25Å; F197-Q206 HydrophobicContact CE1-CB 4.37Å; F197-A213 HydrophobicContact CE1-CB 4.07Å; F197-A213 HydrophobicContact CZ-CB 3.71Å
198	V	97.4	Very high	79.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.1	174.6	-179.6	0	0	0	0	109.6	Q166 L167 N202 I203 V230	Q166-V198 HydrophobicContact CB-CB 4.4Å; Q166-V198 HydrophobicContact CB-CG1 4.33Å; Q166-V198 PolarHBondContact N-O 3.41Å; L167-V198 HydrophobicContact CB-CB 3.98Å; L167-V198 HydrophobicContact CB-CG2 3.94Å; L167-V198 HydrophobicContact CD2-CG2 4.19Å; L167-V198 PolarHBondContact O-N 3.44Å; V198-N202 WeakPolarHBondContact CA-O 3.39Å; V198-I203 HydrophobicContact CG2-CG1 3.99Å; V198-V230 HydrophobicContact CB-CG1 4.07Å; V198-V230 HydrophobicContact CG1-CG1 4.06Å; V198-V230 HydrophobicContact CG1-CG2 4.08Å; V198-V230 HydrophobicContact CG2-CG1 4.15Å
199	Y	95.8	Very high	81.1	Confident	51 Å²	51	32.8 Å²	32.8	20%	0.2	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	130.6	179.6	172.2	-104.7	0	0	0	109.3	P157 E163 I165 N201 N202 Y204	P157-Y199 HydrophobicContact CG-CD1 3.66Å; P157-Y199 HydrophobicContact CG-CE1 3.83Å; P157-Y199 HydrophobicContact CG-CG 4.43Å; E163-Y199 HydrophobicContact CB-CD2 4.19Å; E163-Y199 HydrophobicContact CB-CE2 3.99Å; E163-Y199 HydrophobicContact CG-CE2 4.15Å; I165-Y199 HydrophobicContact CD1-CD2 4.23Å; I165-Y199 HydrophobicContact CD1-CG 4.5Å; Y199-N201 PolarHBondContact O-N 2.99Å; Y199-N202 PolarHBondContact N-O 2.87Å; Y199-N202 PolarHBondContact O-N 2.91Å; Y199-Y204 HydrophobicContact CD1-CE2 4.16Å
200	N	94.8	Very high	83	Confident	82 Å²	82	31.8 Å²	31.8	44%	0.439	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.3	48.5	-172.5	-63.6	-7.1	0	0	0	112.4	N202 A220	N200-N202 PolarHBondContact O-N 2.66Å; N200-A220 VanDerWaalsContact O-CB 3.31Å; N200-A220 WeakPolarHBondContact O-CB 3.47Å
201	N	96.2	Very high	85.2	Confident	8 Å²	8	32.2 Å²	32.2	4%	0.043	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	11.1	179.9	-67.4	-58	0	0	0	116.6	Q166 Y199 A220 N224 I226 N228	Q166-N201 PolarHBondContact NE2-OD1 3.34Å; Y199-N201 PolarHBondContact O-N 2.99Å; N201-A220 HydrophobicContact CB-CB 3.74Å; N201-N224 WeakPolarHBondContact ND2-CB 3.05Å; N201-N224 VanDerWaalsContact ND2-CG 3.34Å; N201-N224 PolarHBondContact ND2-OD1 2.88Å; N201-I226 WeakPolarHBondContact CB-O 3.18Å; N201-N228 WeakPolarHBondContact O-CB 3.32Å; N201-N228 PolarHBondContact O-N 2.82Å; N201-N228 PolarHBondContact O-ND2 2.82Å
202	N	97.5	Very high	87.2	Confident	17 Å²	17	34.8 Å²	34.8	9%	0.091	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137.7	171.1	-71.9	-47	0	0	0	110.5	V198 Y199 N200 Y204 T217 S218 S219 A220	V198-N202 WeakPolarHBondContact CA-O 3.39Å; Y199-N202 PolarHBondContact N-O 2.87Å; Y199-N202 PolarHBondContact O-N 2.91Å; N200-N202 PolarHBondContact O-N 2.66Å; N202-Y204 HydrophobicContact CB-CE2 3.93Å; N202-Y204 VanDerWaalsContact O-CD2 3.3Å; N202-Y204 WeakPolarHBondContact O-CD2 3.43Å; N202-Y204 WeakPolarHBondContact O-CE2 3.04Å; N202-T217 VanDerWaalsContact CB-O 3.29Å; N202-T217 WeakPolarHBondContact CB-O 3.41Å; N202-T217 PolarHBondContact OD1-O 2.91Å; N202-T217 VanDerWaalsContact OD1-O 3.06Å; N202-S218 WeakPolarHBondContact OD1-CA 3.3Å; N202-S218 PolarHBondContact OD1-N 2.76Å; N202-S219 PolarHBondContact OD1-N 3.43Å; N202-A220 WeakPolarHBondContact OD1-CB 3.33Å; N202-A220 PolarHBondContact OD1-N 2.93Å
203	I	98.2	Very high	89.2	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	132.4	174.1	-55.8	161.8	0	0	0	109.4	V196 V198 V216 T217 N228 L246 F255 Y257	V196-I203 HydrophobicContact CG1-CG2 3.75Å; V198-I203 HydrophobicContact CG2-CG1 3.99Å; I203-V216 HydrophobicContact CB-CB 4.37Å; I203-V216 HydrophobicContact CG2-CB 4.29Å; I203-V216 PolarHBondContact O-N 3.14Å; I203-T217 HydrophobicContact CD1-CG2 4.26Å; I203-T217 PolarHBondContact N-OG1 3.42Å; I203-T217 PolarHBondContact O-N 3.08Å; I203-N228 HydrophobicContact CD1-CB 3.87Å; I203-N228 HydrophobicContact CG1-CB 3.97Å; I203-L246 HydrophobicContact CD1-CD1 3.91Å; I203-L246 HydrophobicContact CG1-CD1 4.1Å; I203-L246 HydrophobicContact CG2-CD1 3.84Å; I203-F255 HydrophobicContact CD1-CE2 4.3Å; I203-F255 HydrophobicContact CG2-CE2 3.97Å; I203-F255 HydrophobicContact CG2-CZ 3.68Å; I203-Y257 HydrophobicContact CD1-CD1 3.82Å; I203-Y257 HydrophobicContact CD1-CD2 3.38Å; I203-Y257 HydrophobicContact CD1-CE1 4.23Å; I203-Y257 HydrophobicContact CD1-CE2 3.86Å; I203-Y257 HydrophobicContact CD1-CG 3.34Å
204	Y	97.5	Very high	90.7	Very high	21 Å²	21	36.2 Å²	36.2	8%	0.082	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.5	171.4	-65.1	-98.2	0	0	0	109.8	P157 V196 F197 Y199 N202 A213 V214 Q215	P157-Y204 HydrophobicContact CB-CD1 4.26Å; P157-Y204 HydrophobicContact CB-CE1 3.86Å; V196-Y204 VanDerWaalsContact CA-O 3.3Å; V196-Y204 WeakPolarHBondContact CA-O 3.08Å; F197-Y204 HydrophobicContact CD2-CD2 4.18Å; F197-Y204 HydrophobicContact CD2-CG 4.31Å; F197-Y204 VanDerWaalsContact CE2-CB 3.45Å; F197-Y204 HydrophobicContact CE2-CD1 4.48Å; F197-Y204 AromaticContact CE2-CD2 3.79Å; F197-Y204 HydrophobicContact CE2-CD2 3.79Å; F197-Y204 AromaticContact CE2-CG 3.66Å; F197-Y204 HydrophobicContact CE2-CG 3.66Å; F197-Y204 HydrophobicContact CZ-CG 4.06Å; F197-Y204 PolarHBondContact N-O 3.19Å; F197-Y204 PolarHBondContact O-N 3.25Å; Y199-Y204 HydrophobicContact CD1-CE2 4.16Å; N202-Y204 HydrophobicContact CB-CE2 3.93Å; N202-Y204 VanDerWaalsContact O-CD2 3.3Å; N202-Y204 WeakPolarHBondContact O-CD2 3.43Å; N202-Y204 WeakPolarHBondContact O-CE2 3.04Å; Y204-A213 HydrophobicContact CD1-CB 4.34Å; Y204-V214 CarbonylContact C-O 3.52Å; Y204-V214 WeakPolarHBondContact CA-O 3.3Å; Y204-Q215 HydrophobicContact CD1-CB 3.8Å; Y204-Q215 HydrophobicContact CD1-CG 4.14Å; Y204-Q215 HydrophobicContact CE1-CB 3.54Å; Y204-Q215 HydrophobicContact CE1-CG 3.63Å; Y204-Q215 PolarHBondContact OH-OE1 3.47Å
205	Y	95.2	Very high	91.7	Very high	14 Å²	14	38.5 Å²	38.5	6%	0.055	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	139.2	170.7	166.4	-93.4	0	0	0	109.4	F194 V196 E207 A213 V214 W248 W302 K304	F194-Y205 HydrophobicContact CB-CE2 4.07Å; F194-Y205 HydrophobicContact CD1-CE2 4.45Å; F194-Y205 WeakPolarHBondContact CD1-OH 2.87Å; V196-Y205 HydrophobicContact CG2-CD2 4.01Å; Y205-E207 HydrophobicContact CE1-CB 3.97Å; Y205-A213 CarbonylContact O-C 3.58Å; Y205-A213 WeakPolarHBondContact O-CA 3.22Å; Y205-V214 HydrophobicContact CD1-CB 4.46Å; Y205-V214 PolarHBondContact N-O 2.83Å; Y205-V214 PolarHBondContact O-N 3.35Å; Y205-W248 HydrophobicContact CD2-CH2 4.03Å; Y205-W248 HydrophobicContact CE2-CH2 4.06Å; Y205-W302 AromaticContact CD1-CH2 3.64Å; Y205-W302 HydrophobicContact CD1-CH2 3.64Å; Y205-W302 HydrophobicContact CD1-CZ3 4.26Å; Y205-W302 AromaticContact CD2-CH2 3.94Å; Y205-W302 HydrophobicContact CD2-CH2 3.94Å; Y205-W302 AromaticContact CD2-CZ3 3.69Å; Y205-W302 HydrophobicContact CD2-CZ3 3.69Å; Y205-W302 HydrophobicContact CE1-CH2 4.17Å; Y205-W302 HydrophobicContact CE2-CH2 4.44Å; Y205-W302 HydrophobicContact CE2-CZ3 4.23Å; Y205-W302 AromaticContact CG-CH2 3.48Å; Y205-W302 HydrophobicContact CG-CH2 3.48Å; Y205-W302 VanDerWaalsContact CG-CH2 3.48Å; Y205-W302 AromaticContact CG-CZ3 3.69Å; Y205-W302 HydrophobicContact CG-CZ3 3.69Å; Y205-K304 HydrophobicContact CE2-CB 4.19Å; Y205-K304 HydrophobicContact CE2-CD 4.02Å
206	Q	91.1	Very high	92.3	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.009	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	121.1	176.5	-168.1	-175.4	-0.9	0	0	109.2	F194 Q195 F197 H208 I209 S211 A213	F194-Q206 WeakPolarHBondContact CA-O 3.2Å; Q195-Q206 HydrophobicContact CG-CB 3.93Å; Q195-Q206 PolarHBondContact N-O 3.29Å; Q195-Q206 PolarHBondContact O-N 3Å; F197-Q206 HydrophobicContact CE1-CB 4.37Å; Q206-H208 WeakPolarHBondContact CG-O 3.36Å; Q206-H208 PolarHBondContact NE2-O 2.78Å; Q206-I209 PolarHBondContact NE2-O 3.37Å; Q206-S211 PolarHBondContact NE2-O 3.43Å; Q206-A213 HydrophobicContact CB-CB 4.35Å; Q206-A213 HydrophobicContact CG-CB 4.47Å
207	E	84.4	Confident	92.4	Very high	96 Å²	96	39.7 Å²	39.7	45%	0.449	21%	0.208	S	C	.	.	S	Bend	trans	-72.1	-36	-172.2	-166.9	-176.1	-165.9	0	0	112.7	R193 F194 Y205	R193-E207 CarbonylContact C-O 3.59Å; R193-E207 VanDerWaalsContact C-O 3.26Å; F194-E207 HydrophobicContact CD1-CG 3.78Å; F194-E207 WeakPolarHBondContact CD1-O 3.25Å; F194-E207 HydrophobicContact CE1-CG 3.77Å; F194-E207 PolarHBondContact N-O 3.35Å; Y205-E207 HydrophobicContact CE1-CB 3.97Å
208	H	78.6	Confident	92.3	Very high	42 Å²	42	44.7 Å²	44.7	19%	0.194	24%	0.243	C	C	.	.	S	Bend	trans	-148.2	149	177.2	179.1	-109.4	0	0	0	109.8	R191 Q206 L210 S211	R191-H208 PolarHBondContact O-CD2 3.06Å; Q206-H208 WeakPolarHBondContact CG-O 3.36Å; Q206-H208 PolarHBondContact NE2-O 2.78Å; H208-L210 PolarHBondContact ND1-N 2.77Å; H208-L210 PolarHBondContact O-N 3.06Å; H208-S211 PolarHBondContact N-OG 2.88Å; H208-S211 PolarHBondContact O-N 2.87Å; H208-S211 PolarHBondContact O-OG 2.82Å
209	I	80.9	Confident	92.2	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.062	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-31.4	-175.7	-60.9	164.2	0	0	0	113	C119 I140 C142 Y153 W170 R193 Q206	C119-I209 HydrophobicContact CB-CD1 4.48Å; I140-I209 HydrophobicContact CD1-CG1 4.21Å; I140-I209 HydrophobicContact CD1-CG2 4.45Å; I140-I209 HydrophobicContact CG2-CD1 3.8Å; C142-I209 WeakPolarHBondContact SG-CD1 3.39Å; Y153-I209 VanDerWaalsContact CB-CG2 3.47Å; Y153-I209 HydrophobicContact CD1-CG2 4.14Å; Y153-I209 HydrophobicContact CD2-CG2 4.18Å; Y153-I209 HydrophobicContact CG-CG2 3.67Å; W170-I209 HydrophobicContact CH2-CD1 4.29Å; R193-I209 HydrophobicContact CB-CD1 4.49Å; Q206-I209 PolarHBondContact NE2-O 3.37Å
210	L	81.3	Confident	91.9	Very high	105 Å²	105	45.9 Å²	45.9	55%	0.55	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-27.5	175.3	-55.8	-179.2	0	0	0	114.1	Y153 K159 H208	Y153-L210 HydrophobicContact CD1-CD2 3.86Å; Y153-L210 HydrophobicContact CE1-CD2 3.39Å; K159-L210 PolarHBondContact NZ-O 3.32Å; K159-L210 VanDerWaalsContact NZ-O 3.12Å; H208-L210 PolarHBondContact ND1-N 2.77Å; H208-L210 PolarHBondContact O-N 3.06Å
211	S	85.5	Confident	91	Very high	37 Å²	37	44.1 Å²	44.1	26%	0.259	25%	0.253	S	S	.	.	S	Bend	trans	-68.1	158.5	178.3	76.4	0	0	0	0	110.6	K159 Q206 H208	K159-S211 WeakPolarHBondContact CE-O 3.34Å; K159-S211 VanDerWaalsContact NZ-C 3.3Å; K159-S211 PolarHBondContact NZ-O 2.82Å; Q206-S211 PolarHBondContact NE2-O 3.43Å; H208-S211 PolarHBondContact N-OG 2.88Å; H208-S211 PolarHBondContact O-N 2.87Å; H208-S211 PolarHBondContact O-OG 2.82Å
212	D	90.4	Very high	89.8	Confident	125 Å²	125	53.2 Å²	53.2	67%	0.668	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-75.8	161	175.4	-58.8	-42.4	0	0	0	111.7	K159	K159-D212 IonicContact NZ-OD1 2.68Å; K159-D212 PolarHBondContact NZ-OD1 3.26Å
213	A	93.5	Very high	88.8	Confident	23 Å²	23	60.5 Å²	60.5	19%	0.19	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	124.6	-175.2	0	0	0	0	0	110.7	F197 Y204 Y205 Q206	F197-A213 HydrophobicContact CE1-CB 4.07Å; F197-A213 HydrophobicContact CZ-CB 3.71Å; Y204-A213 HydrophobicContact CD1-CB 4.34Å; Y205-A213 CarbonylContact O-C 3.58Å; Y205-A213 WeakPolarHBondContact O-CA 3.22Å; Q206-A213 HydrophobicContact CB-CB 4.35Å; Q206-A213 HydrophobicContact CG-CB 4.47Å
214	V	94	Very high	88	Confident	82 Å²	82	63.8 Å²	63.8	50%	0.497	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	120.3	172.7	-179	0	0	0	0	108.6	Y204 Y205 V216	Y204-V214 CarbonylContact C-O 3.52Å; Y204-V214 WeakPolarHBondContact CA-O 3.3Å; Y205-V214 HydrophobicContact CD1-CB 4.46Å; Y205-V214 PolarHBondContact N-O 2.83Å; Y205-V214 PolarHBondContact O-N 3.35Å; V214-V216 PolarHBondContact O-N 2.88Å
215	Q	96.4	Very high	87.7	Confident	90 Å²	90	64.6 Å²	64.6	42%	0.421	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	119.1	173.1	-173.8	166.5	-11.6	0	0	109.9	Y204 T217	Y204-Q215 HydrophobicContact CD1-CB 3.8Å; Y204-Q215 HydrophobicContact CD1-CG 4.14Å; Y204-Q215 HydrophobicContact CE1-CB 3.54Å; Y204-Q215 HydrophobicContact CE1-CG 3.63Å; Y204-Q215 PolarHBondContact OH-OE1 3.47Å; Q215-T217 WeakPolarHBondContact CG-O 3.4Å; Q215-T217 PolarHBondContact NE2-O 3.09Å
216	V	97.4	Very high	87.7	Confident	18 Å²	18	64.7 Å²	64.7	11%	0.109	34%	0.343	C	S	.	.			trans	-92.3	-27.4	-176.6	178.9	0	0	0	0	112	I203 V214 F255 W302	I203-V216 HydrophobicContact CB-CB 4.37Å; I203-V216 HydrophobicContact CG2-CB 4.29Å; I203-V216 PolarHBondContact O-N 3.14Å; V214-V216 PolarHBondContact O-N 2.88Å; V216-F255 HydrophobicContact CB-CZ 4.4Å; V216-F255 HydrophobicContact CG1-CE2 4.45Å; V216-F255 HydrophobicContact CG1-CZ 3.96Å; V216-F255 HydrophobicContact CG2-CZ 4.22Å; V216-W302 HydrophobicContact CG1-CB 4.06Å; V216-W302 HydrophobicContact CG1-CD2 3.86Å; V216-W302 HydrophobicContact CG1-CG 3.56Å; V216-W302 HydrophobicContact CG2-CD2 4.12Å; V216-W302 HydrophobicContact CG2-CE3 4.43Å; V216-W302 HydrophobicContact CG2-CH2 4.19Å; V216-W302 HydrophobicContact CG2-CZ2 3.9Å; V216-W302 HydrophobicContact CG2-CZ3 4.44Å
217	T	97.5	Very high	87.9	Confident	9 Å²	9	66 Å²	66	6%	0.055	35%	0.348	C	S	.	.			trans	-131.8	145.9	177.2	41.4	0	0	0	0	111.4	N202 I203 Q215 N228 Y257	N202-T217 VanDerWaalsContact CB-O 3.29Å; N202-T217 WeakPolarHBondContact CB-O 3.41Å; N202-T217 PolarHBondContact OD1-O 2.91Å; N202-T217 VanDerWaalsContact OD1-O 3.06Å; I203-T217 HydrophobicContact CD1-CG2 4.26Å; I203-T217 PolarHBondContact N-OG1 3.42Å; I203-T217 PolarHBondContact O-N 3.08Å; Q215-T217 WeakPolarHBondContact CG-O 3.4Å; Q215-T217 PolarHBondContact NE2-O 3.09Å; T217-N228 HydrophobicContact CG2-CB 4.17Å; T217-Y257 HydrophobicContact CG2-CE2 3.66Å; T217-Y257 VanDerWaalsContact CG2-OH 3.23Å; T217-Y257 WeakPolarHBondContact CG2-OH 3.43Å
218	S	95.1	Very high	88.6	Confident	105 Å²	105	61.5 Å²	61.5	73%	0.734	33%	0.327	S	S	*	.			trans	-132.5	13.6	178.2	54.3	0	0	0	0	112.4	N202	N202-S218 WeakPolarHBondContact OD1-CA 3.3Å; N202-S218 PolarHBondContact OD1-N 2.76Å
219	S	94.2	Very high	89.5	Confident	52 Å²	52	59.5 Å²	59.5	36%	0.364	32%	0.317	S	S	.	.			trans	-82.5	-12.2	-174.8	52.8	0	0	0	0	114.1	N202 T221 I226 N228	N202-S219 PolarHBondContact OD1-N 3.43Å; S219-T221 PolarHBondContact O-N 2.86Å; S219-I226 WeakPolarHBondContact O-CG2 3.11Å; S219-N228 PolarHBondContact OG-ND2 2.97Å; S219-N228 PolarHBondContact OG-OD1 3.41Å
220	A	90.6	Very high	90.2	Very high	23 Å²	23	59.2 Å²	59.2	19%	0.19	32%	0.317	C	S	.	.			trans	-60.7	137.4	177.7	0	0	0	0	0	111.6	N200 N201 N202	N200-A220 VanDerWaalsContact O-CB 3.31Å; N200-A220 WeakPolarHBondContact O-CB 3.47Å; N201-A220 HydrophobicContact CB-CB 3.74Å; N202-A220 WeakPolarHBondContact OD1-CB 3.33Å; N202-A220 PolarHBondContact OD1-N 2.93Å
221	T	76.5	Confident	91	Very high	46 Å²	46	54.5 Å²	54.5	28%	0.282	29%	0.293	S	S	.	.			trans	-93.5	156.3	178.4	54.6	0	0	0	0	111.1	S219 R223 N224 Y225 I226	S219-T221 PolarHBondContact O-N 2.86Å; T221-R223 PolarHBondContact O-N 2.8Å; T221-R223 VanDerWaalsContact O-N 3.17Å; T221-N224 WeakPolarHBondContact O-CA 3.44Å; T221-N224 PolarHBondContact O-N 3.45Å; T221-N224 PolarHBondContact OG1-N 3Å; T221-Y225 PolarHBondContact OG1-N 2.75Å; T221-I226 HydrophobicContact CG2-CB 4.49Å; T221-I226 HydrophobicContact CG2-CD1 3.93Å; T221-I226 HydrophobicContact CG2-CG1 4.07Å
222	E	70.7	Confident	91.4	Very high	198 Å²	198	52.8 Å²	52.8	93%	0.925	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-33.4	175.5	-61.5	-178.4	153.2	0	0	113	N224	E222-N224 VanDerWaalsContact C-N 3.27Å; E222-N224 PolarHBondContact O-N 3.28Å; E222-N224 PolarHBondContact O-ND2 2.96Å
223	R	76.5	Confident	91.7	Very high	170 Å²	170	46.9 Å²	46.9	64%	0.642	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	2.6	174.9	-65.8	-168.4	179.4	-142.9	7.4	114.3	T221 Y225	T221-R223 PolarHBondContact O-N 2.8Å; T221-R223 VanDerWaalsContact O-N 3.17Å; R223-Y225 HydrophobicContact CB-CD1 4.43Å; R223-Y225 HydrophobicContact CB-CD2 3.88Å; R223-Y225 HydrophobicContact CB-CE1 4.24Å; R223-Y225 HydrophobicContact CB-CE2 3.71Å; R223-Y225 HydrophobicContact CB-CG 4.24Å; R223-Y225 HydrophobicContact CG-CE2 4.3Å; R223-Y225 PolarHBondContact O-N 2.93Å; R223-Y225 VanDerWaalsContact O-N 3.15Å
224	N	80.7	Confident	91.8	Very high	69 Å²	69	45.9 Å²	45.9	37%	0.369	24%	0.24	S	C	.	.			trans	60.3	20.2	176.6	-65.6	-64.3	0	0	0	115.7	N201 T221 E222 I226	N201-N224 WeakPolarHBondContact ND2-CB 3.05Å; N201-N224 VanDerWaalsContact ND2-CG 3.34Å; N201-N224 PolarHBondContact ND2-OD1 2.88Å; T221-N224 WeakPolarHBondContact O-CA 3.44Å; T221-N224 PolarHBondContact O-N 3.45Å; T221-N224 PolarHBondContact OG1-N 3Å; E222-N224 VanDerWaalsContact C-N 3.27Å; E222-N224 PolarHBondContact O-N 3.28Å; E222-N224 PolarHBondContact O-ND2 2.96Å; N224-I226 PolarHBondContact O-N 3.01Å
225	Y	90.7	Very high	92	Very high	38 Å²	38	42 Å²	42	15%	0.149	22%	0.217	C	C	.	.			trans	-78.3	0.9	174.7	-53.7	-37.6	0	0	0	114.1	T221 R223 D262 R263 E284	T221-Y225 PolarHBondContact OG1-N 2.75Å; R223-Y225 HydrophobicContact CB-CD1 4.43Å; R223-Y225 HydrophobicContact CB-CD2 3.88Å; R223-Y225 HydrophobicContact CB-CE1 4.24Å; R223-Y225 HydrophobicContact CB-CE2 3.71Å; R223-Y225 HydrophobicContact CB-CG 4.24Å; R223-Y225 HydrophobicContact CG-CE2 4.3Å; R223-Y225 PolarHBondContact O-N 2.93Å; R223-Y225 VanDerWaalsContact O-N 3.15Å; Y225-D262 WeakPolarHBondContact O-CB 3.49Å; Y225-D262 PolarHBondContact O-N 2.88Å; Y225-R263 HydrophobicContact CD2-CG 4.31Å; Y225-E284 PolarHBondContact OH-OE2 2.89Å
226	I	96.2	Very high	92	Very high	17 Å²	17	37.7 Å²	37.7	9%	0.087	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121.2	170.2	-62.4	-176.8	0	0	0	106.9	N201 S219 T221 N224 T259 F260 D261 R263	N201-I226 WeakPolarHBondContact CB-O 3.18Å; S219-I226 WeakPolarHBondContact O-CG2 3.11Å; T221-I226 HydrophobicContact CG2-CB 4.49Å; T221-I226 HydrophobicContact CG2-CD1 3.93Å; T221-I226 HydrophobicContact CG2-CG1 4.07Å; N224-I226 PolarHBondContact O-N 3.01Å; I226-T259 HydrophobicContact CG2-CG2 3.75Å; I226-F260 WeakPolarHBondContact CA-O 3.29Å; I226-D261 HydrophobicContact CG1-CB 4.46Å; I226-R263 HydrophobicContact CG1-CG 4.45Å
227	R	95.8	Very high	91.8	Very high	30 Å²	30	37.9 Å²	37.9	11%	0.113	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.4	-171.1	-67.5	167.4	153.4	142.2	-13.1	109.4	Y130 V230 T259 F260 D262	Y130-R227 PolarHBondContact OH-NH2 3.36Å; R227-V230 HydrophobicContact CB-CG2 4.45Å; R227-T259 CarbonylContact O-C 3.57Å; R227-T259 VanDerWaalsContact O-CA 3.23Å; R227-T259 WeakPolarHBondContact O-CA 3.43Å; R227-F260 HydrophobicContact CB-CB 4.38Å; R227-F260 HydrophobicContact CB-CD2 4.4Å; R227-F260 PolarHBondContact N-O 3.04Å; R227-F260 PolarHBondContact O-N 3.23Å; R227-D262 IonicContact CZ-OD2 2.6Å; R227-D262 IonicContact NH1-OD2 3.67Å; R227-D262 PolarHBondContact NH1-OD2 3.03Å
228	N	97.9	Very high	91.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.7	178.7	-53.9	-83.6	0	0	0	110.7	N201 I203 T217 S219 V230 Y257 T259	N201-N228 WeakPolarHBondContact O-CB 3.32Å; N201-N228 PolarHBondContact O-N 2.82Å; N201-N228 PolarHBondContact O-ND2 2.82Å; I203-N228 HydrophobicContact CD1-CB 3.87Å; I203-N228 HydrophobicContact CG1-CB 3.97Å; T217-N228 HydrophobicContact CG2-CB 4.17Å; S219-N228 PolarHBondContact OG-ND2 2.97Å; S219-N228 PolarHBondContact OG-OD1 3.41Å; N228-V230 PolarHBondContact O-N 3.38Å; N228-V230 VanDerWaalsContact O-N 3.1Å; N228-Y257 HydrophobicContact CB-CD2 4.43Å; N228-Y257 HydrophobicContact CB-CE2 4.45Å; N228-T259 VanDerWaalsContact OD1-CG2 3.28Å; N228-T259 WeakPolarHBondContact OD1-CG2 3.41Å; N228-T259 PolarHBondContact OD1-OG1 3.35Å
229	G	97.3	Very high	91.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	72.8	-5.9	176.2	0	0	0	0	0	115.5	L167 A245 L246 A258	L167-G229 VanDerWaalsContact CD2-O 3.32Å; L167-G229 WeakPolarHBondContact CD2-O 3.31Å; G229-A245 CarbonylContact O-C 3.33Å; G229-A245 VanDerWaalsContact O-C 3.29Å; G229-A245 WeakPolarHBondContact O-CA 3.3Å; G229-A245 PolarHBondContact O-N 3.08Å; G229-L246 PolarHBondContact O-N 3.27Å; G229-A258 PolarHBondContact N-O 3.49Å
230	V	97	Very high	91.9	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.042	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-126.4	145.7	172	-69.1	0	0	0	0	110	Q166 L167 V198 R227 N228 S243 F260	Q166-V230 HydrophobicContact CB-CG1 4.19Å; L167-V230 HydrophobicContact CB-CG1 3.71Å; L167-V230 HydrophobicContact CD2-CG1 4.24Å; V198-V230 HydrophobicContact CB-CG1 4.07Å; V198-V230 HydrophobicContact CG1-CG1 4.06Å; V198-V230 HydrophobicContact CG1-CG2 4.08Å; V198-V230 HydrophobicContact CG2-CG1 4.15Å; R227-V230 HydrophobicContact CB-CG2 4.45Å; N228-V230 PolarHBondContact O-N 3.38Å; N228-V230 VanDerWaalsContact O-N 3.1Å; V230-S243 WeakPolarHBondContact CA-O 3.36Å; V230-F260 VanDerWaalsContact O-CD2 3.27Å; V230-F260 WeakPolarHBondContact O-CD2 3.45Å; V230-F260 WeakPolarHBondContact O-CE2 3.23Å
231	A	96.9	Very high	92	Very high	6 Å²	6	33.9 Å²	33.9	5%	0.05	16%	0.156	C	C	.	.			trans	-66.7	154.4	-179.8	0	0	0	0	0	113.3	E236 L240 S243	A231-E236 HydrophobicContact CB-CB 3.92Å; A231-L240 HydrophobicContact CB-CD1 4.36Å; A231-S243 PolarHBondContact N-O 3.18Å
232	D	95.2	Very high	92.9	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	15%	0.154	C	C	.	.			trans	-77.4	179.5	156	65.8	57.5	0	0	0	111.1	V234 Y235 E236 F260 P295	D232-V234 PolarHBondContact O-N 3Å; D232-V234 WeakPolarHBondContact OD1-CG1 3.24Å; D232-V234 PolarHBondContact OD1-N 3.49Å; D232-Y235 PolarHBondContact OD1-N 3.23Å; D232-Y235 VanDerWaalsContact OD2-CD2 3.31Å; D232-Y235 WeakPolarHBondContact OD2-CD2 3.43Å; D232-E236 VanDerWaalsContact O-CB 3.29Å; D232-E236 WeakPolarHBondContact O-CB 3.37Å; D232-E236 PolarHBondContact O-N 3.41Å; D232-F260 HydrophobicContact CB-CB 4.29Å; D232-F260 WeakPolarHBondContact OD2-CB 3.33Å; D232-F260 VanDerWaalsContact OD2-CD1 3.25Å; D232-F260 WeakPolarHBondContact OD2-CD1 3.24Å; D232-F260 WeakPolarHBondContact OD2-CG 3.5Å; D232-P295 WeakPolarHBondContact OD2-CG 3.2Å
233	W	95.4	Very high	94	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	11%	0.114	C	C	.	.	H	α-helix	trans	-58.5	-46.5	-178.4	-178.6	91.6	0	0	0	112.4	Y130 E236 E237 I285 Y287 D704 D748 N749	Y130-W233 AromaticContact CD1-CD1 3.54Å; Y130-W233 HydrophobicContact CD2-CB 4.19Å; Y130-W233 AromaticContact CD2-CD1 3.91Å; Y130-W233 HydrophobicContact CD2-CG 4.43Å; Y130-W233 AromaticContact CE1-CD1 3.78Å; Y130-W233 HydrophobicContact CE2-CB 3.85Å; Y130-W233 HydrophobicContact CE2-CG 4.43Å; Y130-W233 AromaticContact CG-CD1 3.6Å; W233-E236 PolarHBondContact O-N 3.39Å; W233-E237 HydrophobicContact CH2-CB 4.12Å; W233-E237 HydrophobicContact CH2-CG 4.03Å; W233-E237 HydrophobicContact CZ2-CB 4.06Å; W233-E237 HydrophobicContact CZ2-CG 3.92Å; W233-E237 WeakPolarHBondContact O-CB 3.41Å; W233-E237 PolarHBondContact O-N 3.36Å; W233-E237 VanDerWaalsContact O-N 3.08Å; W233-I285 HydrophobicContact CB-CG2 4.11Å; W233-I285 HydrophobicContact CG-CG2 4.2Å; W233-Y287 AromaticContact CD2-CD2 3.68Å; W233-Y287 HydrophobicContact CD2-CD2 3.68Å; W233-Y287 AromaticContact CD2-CE2 3.98Å; W233-Y287 HydrophobicContact CD2-CE2 3.98Å; W233-Y287 AromaticContact CE2-CD2 3.97Å; W233-Y287 AromaticContact CE2-CE2 3.87Å; W233-Y287 AromaticContact CE3-CD2 3.45Å; W233-Y287 HydrophobicContact CE3-CD2 3.45Å; W233-Y287 VanDerWaalsContact CE3-CD2 3.45Å; W233-Y287 AromaticContact CE3-CE2 3.68Å; W233-Y287 HydrophobicContact CE3-CE2 3.68Å; W233-Y287 HydrophobicContact CE3-CG 4.26Å; W233-Y287 HydrophobicContact CG-CD2 4.46Å; W233-Y287 HydrophobicContact CH2-CD2 4.02Å; W233-Y287 AromaticContact CH2-CE2 3.33Å; W233-Y287 HydrophobicContact CH2-CE2 3.33Å; W233-Y287 AromaticContact CH2-CZ 3.99Å; W233-Y287 HydrophobicContact CZ2-CD2 4.16Å; W233-Y287 AromaticContact CZ2-CE2 3.58Å; W233-Y287 HydrophobicContact CZ2-CE2 3.58Å; W233-Y287 AromaticContact CZ3-CD2 3.64Å; W233-Y287 HydrophobicContact CZ3-CD2 3.64Å; W233-Y287 AromaticContact CZ3-CE2 3.36Å; W233-Y287 HydrophobicContact CZ3-CE2 3.36Å; W233-Y287 HydrophobicContact CZ3-CG 4.49Å; W233-D704 HydrophobicContact CH2-CB 4.46Å; W233-D704 HydrophobicContact CZ3-CB 3.93Å; W233-D748 PolarHBondContact NE1-O 3.46Å; W233-D748 VanDerWaalsContact NE1-O 3.14Å; W233-N749 HydrophobicContact CZ2-CB 4Å
234	V	96.3	Very high	95	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-78.7	-31	-172.1	74.8	0	0	0	0	111.5	D232 E238 P288 P295 T706	D232-V234 PolarHBondContact O-N 3Å; D232-V234 WeakPolarHBondContact OD1-CG1 3.24Å; D232-V234 PolarHBondContact OD1-N 3.49Å; V234-E238 HydrophobicContact CG2-CB 4.26Å; V234-E238 WeakPolarHBondContact O-CB 3.27Å; V234-E238 PolarHBondContact O-N 3.3Å; V234-P288 HydrophobicContact CB-CG 4.21Å; V234-P288 HydrophobicContact CG1-CG 3.97Å; V234-P288 HydrophobicContact CG2-CG 4.2Å; V234-P295 HydrophobicContact CG1-CG 3.83Å; V234-T706 HydrophobicContact CG2-CG2 4.41Å; V234-T706 WeakPolarHBondContact CG2-OG1 3.46Å
235	Y	97.4	Very high	95.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-69.7	-35.1	171.4	-94.8	-92.5	0	0	0	113.3	D232 V239 L240 F260 I297 Y325 L326	D232-Y235 PolarHBondContact OD1-N 3.23Å; D232-Y235 VanDerWaalsContact OD2-CD2 3.31Å; D232-Y235 WeakPolarHBondContact OD2-CD2 3.43Å; Y235-V239 HydrophobicContact CD1-CB 3.91Å; Y235-V239 HydrophobicContact CD1-CG1 3.97Å; Y235-V239 HydrophobicContact CD1-CG2 4.28Å; Y235-V239 HydrophobicContact CE1-CB 4.18Å; Y235-V239 HydrophobicContact CE1-CG1 3.81Å; Y235-V239 HydrophobicContact CE1-CG2 4.37Å; Y235-V239 HydrophobicContact CG-CB 4.4Å; Y235-V239 HydrophobicContact CG-CG2 4.44Å; Y235-L240 HydrophobicContact CD1-CD1 3.95Å; Y235-L240 HydrophobicContact CD1-CD2 4.39Å; Y235-L240 HydrophobicContact CD1-CG 3.91Å; Y235-L240 WeakPolarHBondContact O-CB 3.3Å; Y235-L240 WeakPolarHBondContact O-CG 3.42Å; Y235-L240 PolarHBondContact O-N 2.9Å; Y235-F260 HydrophobicContact CD1-CD1 4.36Å; Y235-F260 AromaticContact CD1-CE1 3.4Å; Y235-F260 HydrophobicContact CD1-CE1 3.4Å; Y235-F260 VanDerWaalsContact CD1-CE1 3.4Å; Y235-F260 AromaticContact CD1-CZ 3.9Å; Y235-F260 HydrophobicContact CD1-CZ 3.9Å; Y235-F260 AromaticContact CD2-CD1 3.72Å; Y235-F260 HydrophobicContact CD2-CD1 3.72Å; Y235-F260 AromaticContact CD2-CE1 3.6Å; Y235-F260 HydrophobicContact CD2-CE1 3.6Å; Y235-F260 AromaticContact CE1-CE1 3.7Å; Y235-F260 HydrophobicContact CE1-CE1 3.7Å; Y235-F260 HydrophobicContact CE1-CZ 4.44Å; Y235-F260 HydrophobicContact CE2-CD1 4.02Å; Y235-F260 AromaticContact CE2-CE1 3.89Å; Y235-F260 HydrophobicContact CE2-CE1 3.89Å; Y235-F260 AromaticContact CG-CD1 3.9Å; Y235-F260 HydrophobicContact CG-CD1 3.9Å; Y235-F260 AromaticContact CG-CE1 3.33Å; Y235-F260 HydrophobicContact CG-CE1 3.33Å; Y235-F260 AromaticContact CG-CZ 3.97Å; Y235-F260 HydrophobicContact CG-CZ 3.97Å; Y235-F260 AromaticContact CZ-CE1 3.92Å; Y235-I297 HydrophobicContact CE2-CD1 3.85Å; Y235-I297 HydrophobicContact CE2-CG1 3.7Å; Y235-I297 WeakPolarHBondContact OH-CD1 3.19Å; Y235-I297 VanDerWaalsContact OH-CG1 3.29Å; Y235-I297 WeakPolarHBondContact OH-CG1 3.18Å; Y235-Y325 HydrophobicContact CE2-CD1 4.36Å; Y235-Y325 VanDerWaalsContact OH-CA 3.29Å; Y235-Y325 WeakPolarHBondContact OH-CA 3.47Å; Y235-L326 HydrophobicContact CE1-CB 3.93Å; Y235-L326 WeakPolarHBondContact CE1-O 3.33Å; Y235-L326 PolarHBondContact OH-N 3.36Å
236	E	96	Very high	96.1	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-69.8	-49.6	177.4	-173.7	-178.4	133.4	0	0	112.4	Y130 R131 H132 S133 A231 D232 W233	Y130-E236 WeakPolarHBondContact CB-OE1 3.44Å; R131-E236 PolarHBondContact N-OE1 3.1Å; H132-E236 WeakPolarHBondContact CA-OE1 3.3Å; H132-E236 HydrophobicContact CB-CG 3.88Å; H132-E236 PolarHBondContact N-OE1 3.01Å; S133-E236 WeakPolarHBondContact CB-OE2 3.07Å; S133-E236 VanDerWaalsContact N-CD 3.28Å; S133-E236 PolarHBondContact N-OE1 3.49Å; S133-E236 PolarHBondContact N-OE2 3.28Å; S133-E236 VanDerWaalsContact OG-CD 3.24Å; S133-E236 PolarHBondContact OG-OE1 3.44Å; S133-E236 VanDerWaalsContact OG-OE1 3.09Å; S133-E236 PolarHBondContact OG-OE2 2.82Å; A231-E236 HydrophobicContact CB-CB 3.92Å; D232-E236 VanDerWaalsContact O-CB 3.29Å; D232-E236 WeakPolarHBondContact O-CB 3.37Å; D232-E236 PolarHBondContact O-N 3.41Å; W233-E236 PolarHBondContact O-N 3.39Å
237	E	94.5	Very high	96.1	Very high	22 Å²	22	16 Å²	16	10%	0.103	8%	0.078	C	C	.	.	H	α-helix	trans	-78.8	-45.8	-173.1	-168.2	67.3	-152.7	0	0	112.3	R131 W233 N749	R131-E237 WeakPolarHBondContact CB-OE2 3.35Å; R131-E237 VanDerWaalsContact CD-CD 3.42Å; R131-E237 WeakPolarHBondContact CD-OE1 3.48Å; R131-E237 WeakPolarHBondContact CD-OE2 3.46Å; R131-E237 IonicContact CZ-OE1 3.4Å; R131-E237 IonicContact NE-OE1 3.52Å; R131-E237 IonicContact NH1-OE1 2.75Å; R131-E237 PolarHBondContact NH1-OE1 3.41Å; W233-E237 HydrophobicContact CH2-CB 4.12Å; W233-E237 HydrophobicContact CH2-CG 4.03Å; W233-E237 HydrophobicContact CZ2-CB 4.06Å; W233-E237 HydrophobicContact CZ2-CG 3.92Å; W233-E237 WeakPolarHBondContact O-CB 3.41Å; W233-E237 PolarHBondContact O-N 3.36Å; W233-E237 VanDerWaalsContact O-N 3.08Å; E237-N749 PolarHBondContact OE1-ND2 3.18Å
238	E	95.3	Very high	96	Very high	25 Å²	25	16 Å²	16	12%	0.117	8%	0.078	C	C	.	.	H	α-helix	trans	-113.7	-7.4	-162.6	-75	-63.6	150	0	0	115.5	V234 T706 Y707 R710	V234-E238 HydrophobicContact CG2-CB 4.26Å; V234-E238 WeakPolarHBondContact O-CB 3.27Å; V234-E238 PolarHBondContact O-N 3.3Å; E238-T706 HydrophobicContact CB-CG2 3.75Å; E238-Y707 WeakPolarHBondContact OE1-CD2 3.4Å; E238-R710 PolarHBondContact O-NH2 3.44Å; E238-R710 IonicContact OE2-CZ 3.71Å; E238-R710 IonicContact OE2-NH1 3.77Å; E238-R710 PolarHBondContact OE2-NH1 2.68Å; E238-R710 IonicContact OE2-NH2 2.8Å
239	V	96.6	Very high	95.7	Very high	5 Å²	5	16 Å²	16	3%	0.03	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-54.9	-176.2	-171.6	0	0	0	0	113.4	Y235 Y325 L326 F327 P380 T706	Y235-V239 HydrophobicContact CD1-CB 3.91Å; Y235-V239 HydrophobicContact CD1-CG1 3.97Å; Y235-V239 HydrophobicContact CD1-CG2 4.28Å; Y235-V239 HydrophobicContact CE1-CB 4.18Å; Y235-V239 HydrophobicContact CE1-CG1 3.81Å; Y235-V239 HydrophobicContact CE1-CG2 4.37Å; Y235-V239 HydrophobicContact CG-CB 4.4Å; Y235-V239 HydrophobicContact CG-CG2 4.44Å; V239-Y325 HydrophobicContact CG2-CD1 4Å; V239-Y325 HydrophobicContact CG2-CE1 4.45Å; V239-L326 WeakPolarHBondContact CG1-O 3.2Å; V239-F327 HydrophobicContact CG1-CD1 3.84Å; V239-F327 HydrophobicContact CG1-CE1 4.4Å; V239-P380 VanDerWaalsContact O-CB 3.27Å; V239-P380 WeakPolarHBondContact O-CB 3.43Å; V239-T706 HydrophobicContact CG2-CG2 3.85Å
240	L	95.5	Very high	95.1	Very high	8 Å²	8	21.1 Å²	21.1	4%	0.042	10%	0.098	C	C	.	.	S	Bend	trans	-95.9	-17.8	-169.8	-59.4	176.1	0	0	0	113.7	A231 Y235 T242 A245 F260 K384	A231-L240 HydrophobicContact CB-CD1 4.36Å; Y235-L240 HydrophobicContact CD1-CD1 3.95Å; Y235-L240 HydrophobicContact CD1-CD2 4.39Å; Y235-L240 HydrophobicContact CD1-CG 3.91Å; Y235-L240 WeakPolarHBondContact O-CB 3.3Å; Y235-L240 WeakPolarHBondContact O-CG 3.42Å; Y235-L240 PolarHBondContact O-N 2.9Å; L240-T242 HydrophobicContact CB-CG2 3.95Å; L240-T242 PolarHBondContact O-N 3.1Å; L240-A245 HydrophobicContact CD1-CB 4.27Å; L240-F260 HydrophobicContact CD1-CZ 4.47Å; L240-K384 PolarHBondContact O-NZ 3.23Å
241	E	93.2	Very high	94.5	Very high	66 Å²	66	24.4 Å²	24.4	31%	0.308	12%	0.118	S	C	.	.	S	Bend	trans	52.1	29.9	-165.9	-54.5	-174.7	109.3	0	0	112.9	P381 K441	E241-P381 HydrophobicContact CG-CG 4.25Å; E241-K441 IonicContact OE1-NZ 3.25Å; E241-K441 IonicContact OE2-NZ 2.7Å
242	T	94.7	Very high	94	Very high	37 Å²	37	24.1 Å²	24.1	23%	0.227	12%	0.116	C	C	.	.	S	Bend	trans	-165.8	153.8	179.9	-173.1	0	0	0	0	111.8	L240 E244	L240-T242 HydrophobicContact CB-CG2 3.95Å; L240-T242 PolarHBondContact O-N 3.1Å; T242-E244 WeakPolarHBondContact CG2-O 3.47Å; T242-E244 PolarHBondContact OG1-N 2.61Å; T242-E244 VanDerWaalsContact OG1-N 3.15Å
243	S	95.4	Very high	93.7	Very high	15 Å²	15	27.8 Å²	27.8	11%	0.105	13%	0.13	C	C	.	.	S	Bend	trans	-80.8	-16.9	169.4	50.8	0	0	0	0	113.2	H132 V230 A231 A245	H132-S243 PolarHBondContact O-OG 3.32Å; V230-S243 WeakPolarHBondContact CA-O 3.36Å; A231-S243 PolarHBondContact N-O 3.18Å; S243-A245 PolarHBondContact O-N 3.16Å
244	E	96.5	Very high	93.5	Very high	57 Å²	57	28.1 Å²	28.1	27%	0.266	13%	0.131	S	C	.	.	B	Isolated β-bridge	trans	-79.7	109.8	-178.4	-47	-155.3	161.3	0	0	110.9	K112 L167 Q169 T242	K112-E244 IonicContact NZ-OE1 2.78Å; K112-E244 PolarHBondContact NZ-OE1 3.24Å; L167-E244 HydrophobicContact CD1-CB 4.11Å; L167-E244 VanDerWaalsContact CD1-CD 3.43Å; L167-E244 HydrophobicContact CD1-CG 3.55Å; L167-E244 WeakPolarHBondContact CD1-OE1 3.28Å; Q169-E244 PolarHBondContact NE2-OE2 3.4Å; T242-E244 WeakPolarHBondContact CG2-O 3.47Å; T242-E244 PolarHBondContact OG1-N 2.61Å; T242-E244 VanDerWaalsContact OG1-N 3.15Å
245	A	97.8	Very high	93.5	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.131	C	C	.	.			trans	-116.9	35.5	178.5	0	0	0	0	0	112.1	G229 L240 S243 W247 Y257 A258 F260	G229-A245 CarbonylContact O-C 3.33Å; G229-A245 VanDerWaalsContact O-C 3.29Å; G229-A245 WeakPolarHBondContact O-CA 3.3Å; G229-A245 PolarHBondContact O-N 3.08Å; L240-A245 HydrophobicContact CD1-CB 4.27Å; S243-A245 PolarHBondContact O-N 3.16Å; A245-W247 HydrophobicContact CB-CH2 4.21Å; A245-W247 HydrophobicContact CB-CZ2 4.44Å; A245-W247 VanDerWaalsContact O-CZ3 3.31Å; A245-W247 WeakPolarHBondContact O-CZ3 3.43Å; A245-Y257 WeakPolarHBondContact O-CA 3.45Å; A245-A258 HydrophobicContact CB-CB 4.3Å; A245-A258 PolarHBondContact O-N 3.49Å; A245-F260 HydrophobicContact CB-CE2 3.69Å; A245-F260 HydrophobicContact CB-CZ 4.03Å
246	L	97.8	Very high	93.5	Very high	2 Å²	2	28 Å²	28	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	132.5	179.3	-170.3	150.2	0	0	0	109.3	L167 Q169 V196 I203 G229 F255 A256	L167-L246 HydrophobicContact CD2-CB 4.07Å; Q169-L246 PolarHBondContact NE2-O 2.82Å; Q169-L246 VanDerWaalsContact NE2-O 3.16Å; Q169-L246 VanDerWaalsContact OE1-CD2 3.3Å; V196-L246 HydrophobicContact CG1-CD1 3.71Å; V196-L246 HydrophobicContact CG1-CD2 4.17Å; I203-L246 HydrophobicContact CD1-CD1 3.91Å; I203-L246 HydrophobicContact CG1-CD1 4.1Å; I203-L246 HydrophobicContact CG2-CD1 3.84Å; G229-L246 PolarHBondContact O-N 3.27Å; L246-F255 HydrophobicContact CD1-CD2 3.8Å; L246-F255 HydrophobicContact CD1-CE2 3.78Å; L246-F255 HydrophobicContact CD1-CG 4.49Å; L246-F255 HydrophobicContact CD1-CZ 4.43Å; L246-F255 HydrophobicContact CD2-CB 4.01Å; L246-F255 HydrophobicContact CD2-CD2 4.06Å; L246-F255 HydrophobicContact CD2-CG 4.04Å; L246-F255 HydrophobicContact CG-CD2 3.85Å; L246-F255 HydrophobicContact CG-CE2 4.35Å; L246-F255 HydrophobicContact CG-CG 4.34Å; L246-A256 WeakPolarHBondContact CA-O 3.38Å
247	W	96.1	Very high	93.6	Very high	52 Å²	52	28.4 Å²	28.4	20%	0.197	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	110	-170.7	-50.5	-84.2	0	0	0	110.3	A245 F255 A256 A258 L299 V329 W331	A245-W247 HydrophobicContact CB-CH2 4.21Å; A245-W247 HydrophobicContact CB-CZ2 4.44Å; A245-W247 VanDerWaalsContact O-CZ3 3.31Å; A245-W247 WeakPolarHBondContact O-CZ3 3.43Å; W247-F255 CarbonylContact O-C 3.41Å; W247-F255 WeakPolarHBondContact O-CA 3.26Å; W247-A256 HydrophobicContact CE3-CB 4.19Å; W247-A256 PolarHBondContact N-O 3.01Å; W247-A256 PolarHBondContact O-N 3.39Å; W247-A258 HydrophobicContact CH2-CB 4.04Å; W247-A258 HydrophobicContact CZ3-CB 4.18Å; W247-L299 HydrophobicContact CZ3-CD1 3.95Å; W247-V329 HydrophobicContact CD2-CB 3.74Å; W247-V329 HydrophobicContact CD2-CG1 4.01Å; W247-V329 HydrophobicContact CE3-CB 3.62Å; W247-V329 HydrophobicContact CE3-CG1 3.64Å; W247-V329 HydrophobicContact CE3-CG2 4.07Å; W247-V329 HydrophobicContact CG-CB 4.45Å; W247-V329 HydrophobicContact CH2-CB 3.96Å; W247-V329 HydrophobicContact CH2-CG2 3.71Å; W247-V329 HydrophobicContact CZ2-CB 4.07Å; W247-V329 HydrophobicContact CZ2-CG2 4.2Å; W247-V329 HydrophobicContact CZ3-CB 3.73Å; W247-V329 HydrophobicContact CZ3-CG1 4.04Å; W247-V329 HydrophobicContact CZ3-CG2 3.64Å; W247-W331 PolarHBondContact O-NE1 3.5Å
248	W	93.1	Very high	93.8	Very high	29 Å²	29	27.4 Å²	27.4	11%	0.11	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	145.9	171.6	-75.3	100.1	0	0	0	112.6	Q169 P172 V196 Y205 G252 F255 W331	Q169-W248 VanDerWaalsContact OE1-CD1 3.26Å; P172-W248 VanDerWaalsContact CD-CG 3.44Å; P172-W248 HydrophobicContact CG-CB 3.69Å; P172-W248 HydrophobicContact CG-CG 4.31Å; V196-W248 HydrophobicContact CB-CZ2 3.78Å; V196-W248 HydrophobicContact CG2-CH2 3.82Å; V196-W248 HydrophobicContact CG2-CZ2 3.33Å; Y205-W248 HydrophobicContact CD2-CH2 4.03Å; Y205-W248 HydrophobicContact CE2-CH2 4.06Å; W248-G252 WeakPolarHBondContact CZ3-O 3.34Å; W248-F255 HydrophobicContact CD2-CB 4.12Å; W248-F255 HydrophobicContact CE3-CB 4.04Å; W248-F255 HydrophobicContact CE3-CD1 4.2Å; W248-F255 HydrophobicContact CG-CB 4.41Å; W248-F255 HydrophobicContact CH2-CD1 4.04Å; W248-F255 HydrophobicContact CZ2-CD1 4.35Å; W248-F255 AromaticContact CZ3-CD1 3.95Å; W248-F255 HydrophobicContact CZ3-CD1 3.95Å; W248-W331 VanDerWaalsContact C-CD1 3.45Å; W248-W331 VanDerWaalsContact C-NE1 3.33Å; W248-W331 PolarHBondContact O-NE1 3.15Å
249	S	91.5	Very high	94	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.007	13%	0.126	C	C	.	.			trans	-76	160.3	169.8	84.2	0	0	0	0	111.4	P172 T251 G252 L254 E339	P172-S249 WeakPolarHBondContact CG-O 3.21Å; S249-T251 VanDerWaalsContact C-N 3.25Å; S249-T251 PolarHBondContact O-N 2.87Å; S249-T251 PolarHBondContact OG-OG1 3.49Å; S249-G252 PolarHBondContact O-N 3.45Å; S249-L254 WeakPolarHBondContact CB-O 3.45Å; S249-L254 PolarHBondContact N-O 3.41Å; S249-L254 PolarHBondContact OG-N 2.95Å; S249-L254 PolarHBondContact OG-O 2.93Å; S249-E339 VanDerWaalsContact CB-CD 3.42Å; S249-E339 WeakPolarHBondContact CB-OE1 3.45Å; S249-E339 WeakPolarHBondContact CB-OE2 3.43Å; S249-E339 PolarHBondContact OG-OE2 2.91Å
250	Y	85.6	Confident	94	Very high	107 Å²	107	26.6 Å²	26.6	42%	0.42	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.1	-175.3	-70.2	-83.1	0	0	0	112.8	G252 W331 Q333 E339 T388	Y250-G252 VanDerWaalsContact C-N 3.28Å; Y250-W331 HydrophobicContact CD2-CB 4.01Å; Y250-W331 HydrophobicContact CE2-CB 3.92Å; Y250-Q333 HydrophobicContact CD1-CG 4.48Å; Y250-Q333 HydrophobicContact CD2-CB 4.12Å; Y250-Q333 HydrophobicContact CD2-CG 4.29Å; Y250-Q333 HydrophobicContact CE1-CG 4.47Å; Y250-Q333 HydrophobicContact CE2-CB 3.72Å; Y250-Q333 HydrophobicContact CE2-CG 4.27Å; Y250-Q333 HydrophobicContact CG-CG 4.39Å; Y250-E339 WeakPolarHBondContact CA-OE1 3.34Å; Y250-E339 WeakPolarHBondContact CB-OE1 3.35Å; Y250-E339 PolarHBondContact N-OE1 3.24Å; Y250-T388 PolarHBondContact OH-OG1 3.42Å
251	T	84	Confident	94	Very high	76 Å²	76	27.2 Å²	27.2	47%	0.466	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.8	174.7	66.2	0	0	0	0	113.6	S249 R253 E339	S249-T251 VanDerWaalsContact C-N 3.25Å; S249-T251 PolarHBondContact O-N 2.87Å; S249-T251 PolarHBondContact OG-OG1 3.49Å; T251-R253 PolarHBondContact O-N 2.92Å; T251-R253 VanDerWaalsContact OG1-CB 3.24Å; T251-R253 WeakPolarHBondContact OG1-CB 3.44Å; T251-R253 PolarHBondContact OG1-N 3.45Å; T251-E339 VanDerWaalsContact CB-OE2 3.29Å; T251-E339 WeakPolarHBondContact CB-OE2 3.36Å; T251-E339 HydrophobicContact CG2-CG 4.46Å; T251-E339 VanDerWaalsContact CG2-OE2 3.26Å; T251-E339 WeakPolarHBondContact CG2-OE2 3.48Å; T251-E339 PolarHBondContact N-OE2 2.84Å; T251-E339 PolarHBondContact OG1-OE2 3.47Å
252	G	86.2	Confident	94.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	63.9	14.5	-170	0	0	0	0	0	113.7	S171 W248 S249 Y250 K304	S171-G252 WeakPolarHBondContact OG-CA 3.38Å; W248-G252 WeakPolarHBondContact CZ3-O 3.34Å; S249-G252 PolarHBondContact O-N 3.45Å; Y250-G252 VanDerWaalsContact C-N 3.28Å; G252-K304 WeakPolarHBondContact O-CD 3.31Å; G252-K304 VanDerWaalsContact O-CE 3.25Å; G252-K304 WeakPolarHBondContact O-CE 3.06Å; G252-K304 PolarHBondContact O-NZ 2.68Å
253	R	88.1	Confident	94.2	Very high	79 Å²	79	28.6 Å²	28.6	30%	0.298	13%	0.126	S	C	.	.	S	Bend	trans	-77	-42.9	173.3	-178.5	-169.7	164.6	-174.6	-2.3	111.3	T251 D303 K304 V305	T251-R253 PolarHBondContact O-N 2.92Å; T251-R253 VanDerWaalsContact OG1-CB 3.24Å; T251-R253 WeakPolarHBondContact OG1-CB 3.44Å; T251-R253 PolarHBondContact OG1-N 3.45Å; R253-D303 WeakPolarHBondContact CG-OD1 3.48Å; R253-D303 IonicContact CZ-OD1 3.67Å; R253-D303 IonicContact CZ-OD2 2.85Å; R253-D303 IonicContact NE-OD1 3.47Å; R253-D303 PolarHBondContact NE-OD1 2.83Å; R253-D303 IonicContact NE-OD2 3.39Å; R253-D303 IonicContact NH2-OD1 2.69Å; R253-D303 IonicContact NH2-OD2 3.71Å; R253-D303 PolarHBondContact NH2-OD2 3.38Å; R253-K304 VanDerWaalsContact O-CG 3.31Å; R253-K304 WeakPolarHBondContact O-CG 3.44Å; R253-K304 PolarHBondContact O-N 2.77Å; R253-K304 VanDerWaalsContact O-N 3.14Å; R253-V305 HydrophobicContact CG-CG2 3.94Å
254	L	92.2	Very high	94.1	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.037	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	154.8	-172.4	-47.2	176.5	0	0	0	109.9	S249 V301 W302 D303 W331 Y363	S249-L254 WeakPolarHBondContact CB-O 3.45Å; S249-L254 PolarHBondContact N-O 3.41Å; S249-L254 PolarHBondContact OG-N 2.95Å; S249-L254 PolarHBondContact OG-O 2.93Å; L254-V301 HydrophobicContact CB-CG1 4.26Å; L254-V301 HydrophobicContact CD1-CG1 4.43Å; L254-W302 VanDerWaalsContact CA-O 3.3Å; L254-W302 WeakPolarHBondContact CA-O 3.45Å; L254-D303 HydrophobicContact CD2-CB 3.47Å; L254-D303 VanDerWaalsContact CD2-CB 3.47Å; L254-W331 HydrophobicContact CB-CH2 3.61Å; L254-W331 HydrophobicContact CB-CZ2 3.86Å; L254-W331 HydrophobicContact CB-CZ3 4.42Å; L254-W331 HydrophobicContact CD1-CH2 3.61Å; L254-W331 HydrophobicContact CD1-CZ3 3.78Å; L254-W331 HydrophobicContact CG-CH2 4.27Å; L254-Y363 VanDerWaalsContact CD1-OH 3.24Å; L254-Y363 WeakPolarHBondContact CD1-OH 3.17Å
255	F	95.5	Very high	94.1	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	145.6	155.4	63.6	-105.5	0	0	0	111	V196 I203 V216 L246 W247 W248 Y257 V301 W302	V196-F255 HydrophobicContact CG2-CD1 4.03Å; V196-F255 HydrophobicContact CG2-CE1 3.56Å; V196-F255 HydrophobicContact CG2-CZ 4.27Å; I203-F255 HydrophobicContact CD1-CE2 4.3Å; I203-F255 HydrophobicContact CG2-CE2 3.97Å; I203-F255 HydrophobicContact CG2-CZ 3.68Å; V216-F255 HydrophobicContact CB-CZ 4.4Å; V216-F255 HydrophobicContact CG1-CE2 4.45Å; V216-F255 HydrophobicContact CG1-CZ 3.96Å; V216-F255 HydrophobicContact CG2-CZ 4.22Å; L246-F255 HydrophobicContact CD1-CD2 3.8Å; L246-F255 HydrophobicContact CD1-CE2 3.78Å; L246-F255 HydrophobicContact CD1-CG 4.49Å; L246-F255 HydrophobicContact CD1-CZ 4.43Å; L246-F255 HydrophobicContact CD2-CB 4.01Å; L246-F255 HydrophobicContact CD2-CD2 4.06Å; L246-F255 HydrophobicContact CD2-CG 4.04Å; L246-F255 HydrophobicContact CG-CD2 3.85Å; L246-F255 HydrophobicContact CG-CE2 4.35Å; L246-F255 HydrophobicContact CG-CG 4.34Å; W247-F255 CarbonylContact O-C 3.41Å; W247-F255 WeakPolarHBondContact O-CA 3.26Å; W248-F255 HydrophobicContact CD2-CB 4.12Å; W248-F255 HydrophobicContact CE3-CB 4.04Å; W248-F255 HydrophobicContact CE3-CD1 4.2Å; W248-F255 HydrophobicContact CG-CB 4.41Å; W248-F255 HydrophobicContact CH2-CD1 4.04Å; W248-F255 HydrophobicContact CZ2-CD1 4.35Å; W248-F255 AromaticContact CZ3-CD1 3.95Å; W248-F255 HydrophobicContact CZ3-CD1 3.95Å; F255-Y257 AromaticContact CD2-CD1 3.91Å; F255-Y257 HydrophobicContact CD2-CD1 3.91Å; F255-Y257 AromaticContact CE2-CD1 3.6Å; F255-Y257 HydrophobicContact CE2-CD1 3.6Å; F255-Y257 HydrophobicContact CE2-CE1 4.2Å; F255-Y257 HydrophobicContact CE2-CG 4.38Å; F255-V301 WeakPolarHBondContact O-CA 3.23Å; F255-W302 AromaticContact CD1-CE3 3.82Å; F255-W302 HydrophobicContact CD1-CE3 3.82Å; F255-W302 HydrophobicContact CD1-CZ3 4.33Å; F255-W302 HydrophobicContact CE1-CD2 4.12Å; F255-W302 AromaticContact CE1-CE3 3.21Å; F255-W302 HydrophobicContact CE1-CE3 3.21Å; F255-W302 AromaticContact CE1-CZ3 3.65Å; F255-W302 HydrophobicContact CE1-CZ3 3.65Å; F255-W302 HydrophobicContact CE2-CB 4.12Å; F255-W302 HydrophobicContact CZ-CB 4.17Å; F255-W302 HydrophobicContact CZ-CD2 4.17Å; F255-W302 AromaticContact CZ-CE3 3.71Å; F255-W302 HydrophobicContact CZ-CE3 3.71Å; F255-W302 HydrophobicContact CZ-CG 4.4Å; F255-W302 HydrophobicContact CZ-CZ3 4.39Å; F255-W302 PolarHBondContact N-O 2.77Å; F255-W302 VanDerWaalsContact N-O 3.14Å; F255-W302 PolarHBondContact O-N 2.99Å
256	A	98	Very high	94	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	145.3	169.2	0	0	0	0	0	108.6	L246 W247 Y300 V301 V329 W331 L341	L246-A256 WeakPolarHBondContact CA-O 3.38Å; W247-A256 HydrophobicContact CE3-CB 4.19Å; W247-A256 PolarHBondContact N-O 3.01Å; W247-A256 PolarHBondContact O-N 3.39Å; A256-Y300 CarbonylContact C-O 3.5Å; A256-Y300 WeakPolarHBondContact CA-O 3.34Å; A256-V301 HydrophobicContact CB-CG2 4.24Å; A256-V329 HydrophobicContact CB-CG1 4.05Å; A256-W331 HydrophobicContact CB-CZ2 3.92Å; A256-L341 HydrophobicContact CB-CD1 4.08Å; A256-L341 HydrophobicContact CB-CD2 4.13Å
257	Y	98.5	Very high	93.9	Very high	9 Å²	9	39.9 Å²	39.9	4%	0.035	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	142.6	174.9	68.4	-90.2	0	0	0	111.4	I203 T217 N228 A245 F255 Y300 W302 T309	I203-Y257 HydrophobicContact CD1-CD1 3.82Å; I203-Y257 HydrophobicContact CD1-CD2 3.38Å; I203-Y257 HydrophobicContact CD1-CE1 4.23Å; I203-Y257 HydrophobicContact CD1-CE2 3.86Å; I203-Y257 HydrophobicContact CD1-CG 3.34Å; T217-Y257 HydrophobicContact CG2-CE2 3.66Å; T217-Y257 VanDerWaalsContact CG2-OH 3.23Å; T217-Y257 WeakPolarHBondContact CG2-OH 3.43Å; N228-Y257 HydrophobicContact CB-CD2 4.43Å; N228-Y257 HydrophobicContact CB-CE2 4.45Å; A245-Y257 WeakPolarHBondContact O-CA 3.45Å; F255-Y257 AromaticContact CD2-CD1 3.91Å; F255-Y257 HydrophobicContact CD2-CD1 3.91Å; F255-Y257 AromaticContact CE2-CD1 3.6Å; F255-Y257 HydrophobicContact CE2-CD1 3.6Å; F255-Y257 HydrophobicContact CE2-CE1 4.2Å; F255-Y257 HydrophobicContact CE2-CG 4.38Å; Y257-Y300 HydrophobicContact CD2-CD2 4.21Å; Y257-Y300 HydrophobicContact CE1-CG 4.45Å; Y257-Y300 AromaticContact CE2-CD2 3.58Å; Y257-Y300 HydrophobicContact CE2-CD2 3.58Å; Y257-Y300 HydrophobicContact CE2-CE2 4.46Å; Y257-Y300 HydrophobicContact CE2-CG 4.02Å; Y257-Y300 VanDerWaalsContact CZ-CB 3.49Å; Y257-Y300 AromaticContact CZ-CD2 3.92Å; Y257-Y300 AromaticContact CZ-CG 3.87Å; Y257-Y300 PolarHBondContact N-O 2.8Å; Y257-Y300 PolarHBondContact O-N 3.45Å; Y257-W302 HydrophobicContact CE1-CB 4.39Å; Y257-T309 HydrophobicContact CE1-CG2 4.26Å; Y257-T309 VanDerWaalsContact OH-CG2 3.3Å; Y257-T309 WeakPolarHBondContact OH-CG2 3.29Å
258	A	98.5	Very high	93.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	147.1	169.6	0	0	0	0	0	110.7	G229 A245 W247 F260 S298 L326	G229-A258 PolarHBondContact N-O 3.49Å; A245-A258 HydrophobicContact CB-CB 4.3Å; A245-A258 PolarHBondContact O-N 3.49Å; W247-A258 HydrophobicContact CH2-CB 4.04Å; W247-A258 HydrophobicContact CZ3-CB 4.18Å; A258-F260 HydrophobicContact CB-CE1 4.22Å; A258-F260 HydrophobicContact CB-CE2 3.72Å; A258-F260 HydrophobicContact CB-CZ 3.52Å; A258-S298 CarbonylContact C-O 3.33Å; A258-S298 WeakPolarHBondContact CA-O 3.26Å; A258-L326 HydrophobicContact CB-CD2 4.13Å
259	T	98.1	Very high	94	Very high	13 Å²	13	41.3 Å²	41.3	8%	0.08	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127	163.6	-59.9	0	0	0	0	108.5	I226 R227 N228 I297 S298 Y300	I226-T259 HydrophobicContact CG2-CG2 3.75Å; R227-T259 CarbonylContact O-C 3.57Å; R227-T259 VanDerWaalsContact O-CA 3.23Å; R227-T259 WeakPolarHBondContact O-CA 3.43Å; N228-T259 VanDerWaalsContact OD1-CG2 3.28Å; N228-T259 WeakPolarHBondContact OD1-CG2 3.41Å; N228-T259 PolarHBondContact OD1-OG1 3.35Å; T259-I297 WeakPolarHBondContact O-CA 3.19Å; T259-S298 PolarHBondContact N-O 3.11Å; T259-S298 PolarHBondContact O-N 3.34Å; T259-Y300 WeakPolarHBondContact OG1-CE2 3.44Å
260	F	97.2	Very high	94.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.5	174.3	-50.8	-84	0	0	0	109.3	I226 R227 V230 D232 Y235 L240 A245 A258 I297	I226-F260 WeakPolarHBondContact CA-O 3.29Å; R227-F260 HydrophobicContact CB-CB 4.38Å; R227-F260 HydrophobicContact CB-CD2 4.4Å; R227-F260 PolarHBondContact N-O 3.04Å; R227-F260 PolarHBondContact O-N 3.23Å; V230-F260 VanDerWaalsContact O-CD2 3.27Å; V230-F260 WeakPolarHBondContact O-CD2 3.45Å; V230-F260 WeakPolarHBondContact O-CE2 3.23Å; D232-F260 HydrophobicContact CB-CB 4.29Å; D232-F260 WeakPolarHBondContact OD2-CB 3.33Å; D232-F260 VanDerWaalsContact OD2-CD1 3.25Å; D232-F260 WeakPolarHBondContact OD2-CD1 3.24Å; D232-F260 WeakPolarHBondContact OD2-CG 3.5Å; Y235-F260 HydrophobicContact CD1-CD1 4.36Å; Y235-F260 AromaticContact CD1-CE1 3.4Å; Y235-F260 HydrophobicContact CD1-CE1 3.4Å; Y235-F260 VanDerWaalsContact CD1-CE1 3.4Å; Y235-F260 AromaticContact CD1-CZ 3.9Å; Y235-F260 HydrophobicContact CD1-CZ 3.9Å; Y235-F260 AromaticContact CD2-CD1 3.72Å; Y235-F260 HydrophobicContact CD2-CD1 3.72Å; Y235-F260 AromaticContact CD2-CE1 3.6Å; Y235-F260 HydrophobicContact CD2-CE1 3.6Å; Y235-F260 AromaticContact CE1-CE1 3.7Å; Y235-F260 HydrophobicContact CE1-CE1 3.7Å; Y235-F260 HydrophobicContact CE1-CZ 4.44Å; Y235-F260 HydrophobicContact CE2-CD1 4.02Å; Y235-F260 AromaticContact CE2-CE1 3.89Å; Y235-F260 HydrophobicContact CE2-CE1 3.89Å; Y235-F260 AromaticContact CG-CD1 3.9Å; Y235-F260 HydrophobicContact CG-CD1 3.9Å; Y235-F260 AromaticContact CG-CE1 3.33Å; Y235-F260 HydrophobicContact CG-CE1 3.33Å; Y235-F260 AromaticContact CG-CZ 3.97Å; Y235-F260 HydrophobicContact CG-CZ 3.97Å; Y235-F260 AromaticContact CZ-CE1 3.92Å; L240-F260 HydrophobicContact CD1-CZ 4.47Å; A245-F260 HydrophobicContact CB-CE2 3.69Å; A245-F260 HydrophobicContact CB-CZ 4.03Å; A258-F260 HydrophobicContact CB-CE1 4.22Å; A258-F260 HydrophobicContact CB-CE2 3.72Å; A258-F260 HydrophobicContact CB-CZ 3.52Å; F260-I297 HydrophobicContact CD1-CB 4.5Å; F260-I297 HydrophobicContact CD1-CG1 3.87Å; F260-I297 HydrophobicContact CD1-CG2 4.04Å; F260-I297 HydrophobicContact CE1-CG1 4.16Å; F260-I297 HydrophobicContact CE1-CG2 3.85Å
261	D	96.8	Very high	94.6	Very high	22 Å²	22	38.8 Å²	38.8	12%	0.118	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	100	178.5	178.5	10.6	0	0	0	110.4	I226 R263 V296	I226-D261 HydrophobicContact CG1-CB 4.46Å; D261-R263 VanDerWaalsContact C-N 3.33Å; D261-R263 VanDerWaalsContact OD1-CB 3.23Å; D261-R263 WeakPolarHBondContact OD1-CB 3.22Å; D261-R263 WeakPolarHBondContact OD1-CD 3.42Å; D261-R263 WeakPolarHBondContact OD1-CG 3.33Å; D261-R263 IonicContact OD1-CZ 3.41Å; D261-R263 PolarHBondContact OD1-N 2.96Å; D261-R263 VanDerWaalsContact OD1-N 3.12Å; D261-R263 IonicContact OD1-NE 3.8Å; D261-R263 PolarHBondContact OD1-NE 2.85Å; D261-R263 IonicContact OD1-NH2 2.71Å; D261-R263 IonicContact OD2-CZ 2.89Å; D261-R263 IonicContact OD2-NE 3.09Å; D261-R263 PolarHBondContact OD2-NE 2.99Å; D261-R263 VanDerWaalsContact OD2-NE 3.16Å; D261-R263 IonicContact OD2-NH2 3.25Å; D261-R263 PolarHBondContact OD2-NH2 2.92Å; D261-V296 HydrophobicContact CB-CB 4.21Å; D261-V296 PolarHBondContact N-O 3.08Å; D261-V296 PolarHBondContact O-N 2.92Å
262	D	96.1	Very high	95.1	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.185	C	C	.	.			trans	-84.6	-0.2	-179.3	-74.3	-52.4	0	0	0	113.2	Y225 R227 N264 V265 A286	Y225-D262 WeakPolarHBondContact O-CB 3.49Å; Y225-D262 PolarHBondContact O-N 2.88Å; R227-D262 IonicContact CZ-OD2 2.6Å; R227-D262 IonicContact NH1-OD2 3.67Å; R227-D262 PolarHBondContact NH1-OD2 3.03Å; D262-N264 PolarHBondContact O-N 2.98Å; D262-N264 VanDerWaalsContact O-N 3.11Å; D262-V265 HydrophobicContact CB-CG2 4.47Å; D262-V265 WeakPolarHBondContact O-CB 3.4Å; D262-V265 PolarHBondContact O-N 2.89Å; D262-A286 HydrophobicContact CB-CB 3.59Å
263	R	94.8	Very high	95.5	Very high	130 Å²	130	44.9 Å²	44.9	49%	0.491	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-37.7	-170.8	-71.9	178.5	-63.8	171.6	-0.3	112.8	Y225 I226 D261 K267	Y225-R263 HydrophobicContact CD2-CG 4.31Å; I226-R263 HydrophobicContact CG1-CG 4.45Å; D261-R263 VanDerWaalsContact C-N 3.33Å; D261-R263 VanDerWaalsContact OD1-CB 3.23Å; D261-R263 WeakPolarHBondContact OD1-CB 3.22Å; D261-R263 WeakPolarHBondContact OD1-CD 3.42Å; D261-R263 WeakPolarHBondContact OD1-CG 3.33Å; D261-R263 IonicContact OD1-CZ 3.41Å; D261-R263 PolarHBondContact OD1-N 2.96Å; D261-R263 VanDerWaalsContact OD1-N 3.12Å; D261-R263 IonicContact OD1-NE 3.8Å; D261-R263 PolarHBondContact OD1-NE 2.85Å; D261-R263 IonicContact OD1-NH2 2.71Å; D261-R263 IonicContact OD2-CZ 2.89Å; D261-R263 IonicContact OD2-NE 3.09Å; D261-R263 PolarHBondContact OD2-NE 2.99Å; D261-R263 VanDerWaalsContact OD2-NE 3.16Å; D261-R263 IonicContact OD2-NH2 3.25Å; D261-R263 PolarHBondContact OD2-NH2 2.92Å; R263-K267 PolarHBondContact O-NZ 2.72Å
264	N	94.6	Very high	95.7	Very high	123 Å²	123	41.9 Å²	41.9	66%	0.658	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-2.6	179.8	-62	-25.3	0	0	0	114.2	D262	D262-N264 PolarHBondContact O-N 2.98Å; D262-N264 VanDerWaalsContact O-N 3.11Å
265	V	96.1	Very high	95.6	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	24%	0.237	C	C	.	.	S	Bend	trans	-75.7	144.1	176	-179.3	0	0	0	0	108.9	D262 K267 A286 P288 P295	D262-V265 HydrophobicContact CB-CG2 4.47Å; D262-V265 WeakPolarHBondContact O-CB 3.4Å; D262-V265 PolarHBondContact O-N 2.89Å; V265-K267 WeakPolarHBondContact O-CD 3.26Å; V265-K267 WeakPolarHBondContact O-CE 3.25Å; V265-K267 PolarHBondContact O-NZ 3.25Å; V265-A286 HydrophobicContact CB-CB 4.29Å; V265-A286 HydrophobicContact CG1-CB 4.15Å; V265-P288 HydrophobicContact CG1-CB 4.07Å; V265-P288 HydrophobicContact CG1-CG 4.39Å; V265-P295 VanDerWaalsContact CG2-CA 3.49Å; V265-P295 HydrophobicContact CG2-CB 4.16Å; V265-P295 HydrophobicContact CG2-CG 3.96Å
266	E	96.1	Very high	95.5	Very high	124 Å²	124	56.9 Å²	56.9	58%	0.579	28%	0.276	S	S	*	.			trans	-69.8	149.6	176.3	-77.9	-66.6	-177.1	0	0	112.2	Y287 A292	E266-Y287 PolarHBondContact O-N 3.01Å; E266-A292 HydrophobicContact CB-CB 4.33Å; E266-A292 HydrophobicContact CG-CB 4.22Å
267	K	94.8	Very high	95.2	Very high	64 Å²	64	59.3 Å²	59.3	28%	0.278	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.7	-175.2	-66.1	85.6	-174.6	162	0	110.4	R263 V265 I285	R263-K267 PolarHBondContact O-NZ 2.72Å; V265-K267 WeakPolarHBondContact O-CD 3.26Å; V265-K267 WeakPolarHBondContact O-CE 3.25Å; V265-K267 PolarHBondContact O-NZ 3.25Å; K267-I285 CarbonylContact C-O 3.59Å; K267-I285 WeakPolarHBondContact CA-O 3.42Å
268	V	95.2	Very high	95	Very high	14 Å²	14	65.5 Å²	65.5	9%	0.085	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	153.5	160.6	-60.4	0	0	0	0	110.1	L270 E284 I285 H751	V268-L270 HydrophobicContact CG2-CD2 4.31Å; V268-L270 HydrophobicContact CG2-CG 4.48Å; V268-E284 WeakPolarHBondContact O-CA 3.48Å; V268-I285 HydrophobicContact CG2-CB 3.85Å; V268-I285 PolarHBondContact N-O 3.41Å; V268-I285 PolarHBondContact O-N 2.82Å; V268-H751 VanDerWaalsContact CG2-NE2 3.32Å; V268-H751 WeakPolarHBondContact CG2-NE2 3.36Å
269	I	95.5	Very high	94.8	Very high	97 Å²	97	73.8 Å²	73.8	50%	0.497	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	115.3	174.6	-63.3	173.1	0	0	0	107.3	N282 E284	I269-N282 HydrophobicContact CG2-CB 3.64Å; I269-N282 VanDerWaalsContact CG2-CG 3.41Å; I269-E284 HydrophobicContact CG1-CG 4.39Å
270	L	94.9	Very high	94.6	Very high	11 Å²	11	76.6 Å²	76.6	6%	0.058	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.3	175.1	-55.1	-173.2	0	0	0	109.5	V268 Y272 V283 I285 F746 D748	V268-L270 HydrophobicContact CG2-CD2 4.31Å; V268-L270 HydrophobicContact CG2-CG 4.48Å; L270-Y272 PolarHBondContact O-N 2.89Å; L270-V283 PolarHBondContact N-O 3.29Å; L270-V283 PolarHBondContact O-N 2.86Å; L270-I285 HydrophobicContact CD1-CD1 3.66Å; L270-I285 HydrophobicContact CG-CD1 4.38Å; L270-F746 HydrophobicContact CB-CD2 3.66Å; L270-F746 HydrophobicContact CB-CE2 3.49Å; L270-F746 VanDerWaalsContact CB-CE2 3.49Å; L270-F746 HydrophobicContact CB-CZ 4.3Å; L270-F746 HydrophobicContact CD1-CD2 4.35Å; L270-F746 HydrophobicContact CD1-CE2 4.24Å; L270-F746 HydrophobicContact CD1-CZ 4.35Å; L270-D748 HydrophobicContact CD1-CB 3.94Å
271	P	94.6	Very high	94.5	Very high	44 Å²	44	80 Å²	80	29%	0.286	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	115.5	175.7	30.4	-32.5	0	0	0	110	Y273	P271-Y273 HydrophobicContact CB-CE2 3.97Å; P271-Y273 HydrophobicContact CG-CE2 4.2Å; P271-Y273 WeakPolarHBondContact O-CE2 3.47Å
272	Y	95	Very high	94.3	Very high	94 Å²	94	83.9 Å²	83.9	37%	0.369	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	137.4	171.2	-171.6	-104.5	0	0	0	110.1	L270 P274 P280 T281 F746 N776	L270-Y272 PolarHBondContact O-N 2.89Å; Y272-P274 HydrophobicContact CD1-CB 4.19Å; Y272-P274 HydrophobicContact CE1-CB 3.98Å; Y272-P274 WeakPolarHBondContact O-CD 3.5Å; Y272-P280 CarbonylContact O-C 3.48Å; Y272-P280 VanDerWaalsContact O-CA 3.29Å; Y272-P280 WeakPolarHBondContact O-CA 3.23Å; Y272-P280 WeakPolarHBondContact O-CB 3.14Å; Y272-T281 WeakPolarHBondContact CB-O 3.39Å; Y272-T281 PolarHBondContact N-O 2.88Å; Y272-T281 PolarHBondContact O-N 2.8Å; Y272-F746 HydrophobicContact CD2-CD2 4.04Å; Y272-F746 HydrophobicContact CD2-CE2 4.05Å; Y272-F746 HydrophobicContact CD2-CG 4.31Å; Y272-F746 HydrophobicContact CD2-CZ 4.32Å; Y272-F746 HydrophobicContact CG-CE2 4.37Å; Y272-N776 HydrophobicContact CD2-CB 4.18Å; Y272-N776 HydrophobicContact CE2-CB 3.8Å
273	Y	94.9	Very high	94.2	Very high	109 Å²	109	86.3 Å²	86.3	43%	0.427	44%	0.439	S	S	.	.			trans	-112.4	80.7	-176.9	-59.8	-88.9	0	0	0	109.6	P271 P280 T775 N776	P271-Y273 HydrophobicContact CB-CE2 3.97Å; P271-Y273 HydrophobicContact CG-CE2 4.2Å; P271-Y273 WeakPolarHBondContact O-CE2 3.47Å; Y273-P280 HydrophobicContact CD1-CB 3.98Å; Y273-P280 HydrophobicContact CE1-CB 4.04Å; Y273-T775 HydrophobicContact CD2-CG2 3.6Å; Y273-T775 HydrophobicContact CE2-CG2 4.4Å; Y273-T775 HydrophobicContact CG-CG2 3.96Å; Y273-N776 PolarHBondContact N-OD1 2.76Å; Y273-N776 PolarHBondContact O-ND2 3.03Å
274	P	92.3	Very high	94.1	Very high	17 Å²	17	84.7 Å²	84.7	11%	0.11	44%	0.437	C	S	.	.			trans	-61.5	146.4	-177.5	26.8	-35.4	0	0	0	112.1	Y272 D276	Y272-P274 HydrophobicContact CD1-CB 4.19Å; Y272-P274 HydrophobicContact CE1-CB 3.98Å; Y272-P274 WeakPolarHBondContact O-CD 3.5Å; P274-D276 VanDerWaalsContact C-N 3.3Å; P274-D276 WeakPolarHBondContact CB-OD1 3.47Å
275	N	90.2	Very high	94.1	Very high	167 Å²	167	79.1 Å²	79.1	89%	0.893	41%	0.407	S	S	*	.	S	Bend	trans	-77.1	-19.5	175.4	-70.6	-16.2	0	0	0	112.6
276	D	92.4	Very high	94	Very high	155 Å²	155	79.4 Å²	79.4	83%	0.829	41%	0.41	S	S	*	.	S	Bend	trans	-104.5	3.5	-172.7	56.6	-40.7	0	0	0	113.8	P274	P274-D276 VanDerWaalsContact C-N 3.3Å; P274-D276 WeakPolarHBondContact CB-OD1 3.47Å
277	S	92.4	Very high	94.1	Very high	51 Å²	51	73.6 Å²	73.6	36%	0.357	38%	0.382	S	S	.	.			trans	-134.7	139.9	172.6	158.9	0	0	0	0	111.1	Y279	S277-Y279 PolarHBondContact O-N 2.91Å; S277-Y279 PolarHBondContact OG-N 3.25Å; S277-Y279 VanDerWaalsContact OG-N 3.07Å; S277-Y279 PolarHBondContact OG-O 2.71Å
278	V	94.3	Very high	94.2	Very high	138 Å²	138	70.6 Å²	70.6	84%	0.836	37%	0.369	S	S	*	.	S	Bend	trans	-76	-8.6	175.5	-59.6	0	0	0	0	113.5
279	Y	95	Very high	94.3	Very high	174 Å²	174	71.7 Å²	71.7	68%	0.682	37%	0.373	S	S	*	.	S	Bend	trans	-111.9	140.6	175.1	-64.8	-76.2	0	0	0	110.9	S277	S277-Y279 PolarHBondContact O-N 2.91Å; S277-Y279 PolarHBondContact OG-N 3.25Å; S277-Y279 VanDerWaalsContact OG-N 3.07Å; S277-Y279 PolarHBondContact OG-O 2.71Å
280	P	94.1	Very high	94.4	Very high	72 Å²	72	67.7 Å²	67.7	47%	0.468	35%	0.353	S	S	.	.			trans	-67.3	150.6	170.6	30.8	-34.9	0	0	0	111	Y272 Y273	Y272-P280 CarbonylContact O-C 3.48Å; Y272-P280 VanDerWaalsContact O-CA 3.29Å; Y272-P280 WeakPolarHBondContact O-CA 3.23Å; Y272-P280 WeakPolarHBondContact O-CB 3.14Å; Y273-P280 HydrophobicContact CD1-CB 3.98Å; Y273-P280 HydrophobicContact CE1-CB 4.04Å
281	T	93.9	Very high	94.3	Very high	72 Å²	72	70 Å²	70	44%	0.442	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.9	176.4	-59.1	0	0	0	0	109.4	Y272	Y272-T281 WeakPolarHBondContact CB-O 3.39Å; Y272-T281 PolarHBondContact N-O 2.88Å; Y272-T281 PolarHBondContact O-N 2.8Å
282	N	93.7	Very high	94.4	Very high	103 Å²	103	68.9 Å²	68.9	55%	0.551	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	126.3	172.4	-78.7	-9.9	0	0	0	110.1	I269	I269-N282 HydrophobicContact CG2-CB 3.64Å; I269-N282 VanDerWaalsContact CG2-CG 3.41Å
283	V	92.7	Very high	94.4	Very high	53 Å²	53	67.2 Å²	67.2	32%	0.321	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.2	171.6	-179.4	0	0	0	0	108.8	L270 F746	L270-V283 PolarHBondContact N-O 3.29Å; L270-V283 PolarHBondContact O-N 2.86Å; V283-F746 HydrophobicContact CB-CE2 3.92Å; V283-F746 HydrophobicContact CB-CZ 3.89Å; V283-F746 HydrophobicContact CG1-CZ 4.13Å; V283-F746 HydrophobicContact CG2-CE2 3.83Å; V283-F746 HydrophobicContact CG2-CZ 3.79Å
284	E	93.6	Very high	94.5	Very high	95 Å²	95	62.6 Å²	62.6	44%	0.444	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.7	175.3	-67.4	-179.2	-164.2	0	0	110.6	Y225 V268 I269	Y225-E284 PolarHBondContact OH-OE2 2.89Å; V268-E284 WeakPolarHBondContact O-CA 3.48Å; I269-E284 HydrophobicContact CG1-CG 4.39Å
285	I	93.6	Very high	94.7	Very high	7 Å²	7	62 Å²	62	4%	0.036	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125.3	169.2	-57.6	173.8	0	0	0	107.9	Y130 W233 K267 V268 L270 Y287 D748	Y130-I285 HydrophobicContact CE1-CD1 3.95Å; Y130-I285 HydrophobicContact CE1-CG1 4.29Å; Y130-I285 HydrophobicContact CE1-CG2 4.25Å; W233-I285 HydrophobicContact CB-CG2 4.11Å; W233-I285 HydrophobicContact CG-CG2 4.2Å; K267-I285 CarbonylContact C-O 3.59Å; K267-I285 WeakPolarHBondContact CA-O 3.42Å; V268-I285 HydrophobicContact CG2-CB 3.85Å; V268-I285 PolarHBondContact N-O 3.41Å; V268-I285 PolarHBondContact O-N 2.82Å; L270-I285 HydrophobicContact CD1-CD1 3.66Å; L270-I285 HydrophobicContact CG-CD1 4.38Å; I285-Y287 PolarHBondContact O-N 2.84Å; I285-D748 HydrophobicContact CD1-CB 3.8Å
286	A	95.5	Very high	95	Very high	7 Å²	7	57.9 Å²	57.9	6%	0.058	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	118.2	167.5	0	0	0	0	0	109	D262 V265	D262-A286 HydrophobicContact CB-CB 3.59Å; V265-A286 HydrophobicContact CB-CB 4.29Å; V265-A286 HydrophobicContact CG1-CB 4.15Å
287	Y	96.8	Very high	95.2	Very high	1 Å²	1	51.5 Å²	51.5	0%	0.004	30%	0.295	C	S	.	.			trans	-148.4	106.2	-171.6	-175.4	-71.7	0	0	0	108	W233 E266 I285 K289 D704 N749 H751	W233-Y287 AromaticContact CD2-CD2 3.68Å; W233-Y287 HydrophobicContact CD2-CD2 3.68Å; W233-Y287 AromaticContact CD2-CE2 3.98Å; W233-Y287 HydrophobicContact CD2-CE2 3.98Å; W233-Y287 AromaticContact CE2-CD2 3.97Å; W233-Y287 AromaticContact CE2-CE2 3.87Å; W233-Y287 AromaticContact CE3-CD2 3.45Å; W233-Y287 HydrophobicContact CE3-CD2 3.45Å; W233-Y287 VanDerWaalsContact CE3-CD2 3.45Å; W233-Y287 AromaticContact CE3-CE2 3.68Å; W233-Y287 HydrophobicContact CE3-CE2 3.68Å; W233-Y287 HydrophobicContact CE3-CG 4.26Å; W233-Y287 HydrophobicContact CG-CD2 4.46Å; W233-Y287 HydrophobicContact CH2-CD2 4.02Å; W233-Y287 AromaticContact CH2-CE2 3.33Å; W233-Y287 HydrophobicContact CH2-CE2 3.33Å; W233-Y287 AromaticContact CH2-CZ 3.99Å; W233-Y287 HydrophobicContact CZ2-CD2 4.16Å; W233-Y287 AromaticContact CZ2-CE2 3.58Å; W233-Y287 HydrophobicContact CZ2-CE2 3.58Å; W233-Y287 AromaticContact CZ3-CD2 3.64Å; W233-Y287 HydrophobicContact CZ3-CD2 3.64Å; W233-Y287 AromaticContact CZ3-CE2 3.36Å; W233-Y287 HydrophobicContact CZ3-CE2 3.36Å; W233-Y287 HydrophobicContact CZ3-CG 4.49Å; E266-Y287 PolarHBondContact O-N 3.01Å; I285-Y287 PolarHBondContact O-N 2.84Å; Y287-K289 HydrophobicContact CD1-CG 3.73Å; Y287-K289 HydrophobicContact CE1-CG 3.74Å; Y287-K289 PolarHBondContact O-N 2.8Å; Y287-D704 HydrophobicContact CD1-CB 4.24Å; Y287-D704 HydrophobicContact CE1-CB 3.54Å; Y287-D704 HydrophobicContact CE2-CB 4.4Å; Y287-D704 PolarHBondContact OH-N 2.89Å; Y287-N749 PolarHBondContact OH-O 2.85Å; Y287-H751 AromaticContact CD1-CE1 3.68Å; Y287-H751 AromaticContact CD2-CE1 3.41Å; Y287-H751 VanDerWaalsContact CD2-CE1 3.41Å; Y287-H751 WeakPolarHBondContact CD2-CE1 3.48Å; Y287-H751 AromaticContact CD2-NE2 3.9Å; Y287-H751 AromaticContact CE1-CE1 3.51Å; Y287-H751 AromaticContact CE1-ND1 3.94Å; Y287-H751 AromaticContact CE2-CE1 3.22Å; Y287-H751 WeakPolarHBondContact CE2-CE1 2.99Å; Y287-H751 AromaticContact CE2-NE2 3.9Å; Y287-H751 AromaticContact CG-CE1 3.62Å; Y287-H751 AromaticContact CZ-CE1 3.26Å; Y287-H751 AromaticContact CZ-ND1 3.72Å
288	P	97.2	Very high	95.5	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	29%	0.293	C	S	.	.			trans	-74	101.9	179.3	30.2	-33	0	0	0	109.5	V234 V265 S293 L294 D704 A705	V234-P288 HydrophobicContact CB-CG 4.21Å; V234-P288 HydrophobicContact CG1-CG 3.97Å; V234-P288 HydrophobicContact CG2-CG 4.2Å; V265-P288 HydrophobicContact CG1-CB 4.07Å; V265-P288 HydrophobicContact CG1-CG 4.39Å; P288-S293 WeakPolarHBondContact CB-O 3.3Å; P288-L294 HydrophobicContact CB-CD2 3.89Å; P288-L294 HydrophobicContact CG-CD2 3.98Å; P288-D704 CarbonylContact O-C 3.57Å; P288-D704 VanDerWaalsContact O-CA 3.31Å; P288-D704 WeakPolarHBondContact O-CA 3.5Å; P288-A705 WeakPolarHBondContact O-CB 3.15Å; P288-A705 PolarHBondContact O-N 3.32Å
289	K	97.6	Very high	95.7	Very high	38 Å²	38	44.7 Å²	44.7	17%	0.165	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-70.3	162.7	166.4	-70.3	179.4	179.2	172.4	0	110.4	Y287 A291 A292 L702 Y703 H751	Y287-K289 HydrophobicContact CD1-CG 3.73Å; Y287-K289 HydrophobicContact CE1-CG 3.74Å; Y287-K289 PolarHBondContact O-N 2.8Å; K289-A291 PolarHBondContact O-N 3.01Å; K289-A292 WeakPolarHBondContact O-CB 3.5Å; K289-A292 PolarHBondContact O-N 3.29Å; K289-L702 WeakPolarHBondContact CE-O 3.41Å; K289-Y703 WeakPolarHBondContact CA-O 3.44Å; K289-H751 WeakPolarHBondContact CE-ND1 3.49Å
290	V	96.9	Very high	95.8	Very high	13 Å²	13	39.3 Å²	39.3	8%	0.079	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.5	130.7	176.8	174	0	0	0	0	112.2	A292 F700 Y703 T708 E709 Y722	V290-A292 PolarHBondContact O-N 3.13Å; V290-F700 WeakPolarHBondContact CG2-O 3.47Å; V290-Y703 PolarHBondContact N-O 3.01Å; V290-T708 HydrophobicContact CG2-CG2 3.65Å; V290-E709 WeakPolarHBondContact CA-OE1 3.44Å; V290-E709 HydrophobicContact CG1-CG 4.47Å; V290-Y722 HydrophobicContact CB-CE1 4.37Å; V290-Y722 HydrophobicContact CG1-CE1 3.68Å; V290-Y722 HydrophobicContact CG2-CE1 3.91Å
291	A	93.2	Very high	96	Very high	60 Å²	60	36 Å²	36	50%	0.496	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	0.4	-173.9	0	0	0	0	0	117.5	K289 E709	K289-A291 PolarHBondContact O-N 3.01Å; A291-E709 PolarHBondContact N-OE1 2.7Å
292	A	96.1	Very high	96.2	Very high	19 Å²	19	33 Å²	33	16%	0.157	19%	0.192	C	C	.	.	S	Bend	trans	-75.2	164.9	165.7	0	0	0	0	0	111.3	E266 K289 V290 R348	E266-A292 HydrophobicContact CB-CB 4.33Å; E266-A292 HydrophobicContact CG-CB 4.22Å; K289-A292 WeakPolarHBondContact O-CB 3.5Å; K289-A292 PolarHBondContact O-N 3.29Å; V290-A292 PolarHBondContact O-N 3.13Å; A292-R348 VanDerWaalsContact O-CZ 3.29Å; A292-R348 PolarHBondContact O-NH1 2.6Å; A292-R348 PolarHBondContact O-NH2 2.8Å
293	S	96.3	Very high	96.2	Very high	60 Å²	60	28.9 Å²	28.9	42%	0.42	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-70.9	137.5	175.3	-71.2	0	0	0	0	112.6	P288 E323	P288-S293 WeakPolarHBondContact CB-O 3.3Å; S293-E323 WeakPolarHBondContact CA-OE1 3.33Å
294	L	97.2	Very high	96	Very high	11 Å²	11	28.5 Å²	28.5	6%	0.058	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-76	161.1	173	-60.3	-177.2	0	0	0	112.2	P288 E323 Y325 R348 A705	P288-L294 HydrophobicContact CB-CD2 3.89Å; P288-L294 HydrophobicContact CG-CD2 3.98Å; L294-E323 HydrophobicContact CD1-CB 4.23Å; L294-E323 PolarHBondContact N-OE1 2.85Å; L294-Y325 HydrophobicContact CD1-CD1 4.49Å; L294-Y325 HydrophobicContact CD1-CE1 3.69Å; L294-Y325 HydrophobicContact CD1-CE2 4.05Å; L294-Y325 VanDerWaalsContact CD1-CZ 3.42Å; L294-Y325 VanDerWaalsContact CD1-OH 3.29Å; L294-Y325 WeakPolarHBondContact CD1-OH 3.15Å; L294-Y325 HydrophobicContact CD2-CE1 4.28Å; L294-Y325 WeakPolarHBondContact CD2-OH 3.43Å; L294-R348 HydrophobicContact CD1-CB 4.35Å; L294-R348 HydrophobicContact CD1-CG 4.06Å; L294-A705 HydrophobicContact CD2-CB 4.01Å
295	P	96.3	Very high	95.7	Very high	6 Å²	6	29 Å²	29	4%	0.039	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-55.6	144.9	170	-21.2	30.6	0	0	0	111.3	D232 V234 V265 I297	D232-P295 WeakPolarHBondContact OD2-CG 3.2Å; V234-P295 HydrophobicContact CG1-CG 3.83Å; V265-P295 VanDerWaalsContact CG2-CA 3.49Å; V265-P295 HydrophobicContact CG2-CB 4.16Å; V265-P295 HydrophobicContact CG2-CG 3.96Å; P295-I297 WeakPolarHBondContact O-CD1 3.44Å
296	V	96.9	Very high	95.6	Very high	79 Å²	79	32.2 Å²	32.2	48%	0.479	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	120.8	172.7	177.8	0	0	0	0	108.8	D261	D261-V296 HydrophobicContact CB-CB 4.21Å; D261-V296 PolarHBondContact N-O 3.08Å; D261-V296 PolarHBondContact O-N 2.92Å
297	I	96.8	Very high	95.5	Very high	21 Å²	21	34 Å²	34	11%	0.108	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130.7	-173.7	-45.6	97.9	0	0	0	110.6	Y235 T259 F260 P295 K324 L326	Y235-I297 HydrophobicContact CE2-CD1 3.85Å; Y235-I297 HydrophobicContact CE2-CG1 3.7Å; Y235-I297 WeakPolarHBondContact OH-CD1 3.19Å; Y235-I297 VanDerWaalsContact OH-CG1 3.29Å; Y235-I297 WeakPolarHBondContact OH-CG1 3.18Å; T259-I297 WeakPolarHBondContact O-CA 3.19Å; F260-I297 HydrophobicContact CD1-CB 4.5Å; F260-I297 HydrophobicContact CD1-CG1 3.87Å; F260-I297 HydrophobicContact CD1-CG2 4.04Å; F260-I297 HydrophobicContact CE1-CG1 4.16Å; F260-I297 HydrophobicContact CE1-CG2 3.85Å; P295-I297 WeakPolarHBondContact O-CD1 3.44Å; I297-K324 WeakPolarHBondContact CD1-O 3.33Å; I297-L326 HydrophobicContact CG2-CB 4.39Å; I297-L326 HydrophobicContact CG2-CD2 3.95Å
298	S	97.2	Very high	95.4	Very high	43 Å²	43	39.6 Å²	39.6	30%	0.301	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.9	168.9	-64.3	0	0	0	0	109.9	A258 T259 Y300	A258-S298 CarbonylContact C-O 3.33Å; A258-S298 WeakPolarHBondContact CA-O 3.26Å; T259-S298 PolarHBondContact N-O 3.11Å; T259-S298 PolarHBondContact O-N 3.34Å; S298-Y300 VanDerWaalsContact CB-CE2 3.5Å
299	L	98.4	Very high	95.4	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134	178.2	-179.6	63.5	0	0	0	109.2	W247 V312 V329 V343	W247-L299 HydrophobicContact CZ3-CD1 3.95Å; L299-V312 HydrophobicContact CB-CB 4.13Å; L299-V312 HydrophobicContact CB-CG2 4.47Å; L299-V312 HydrophobicContact CD2-CB 4.1Å; L299-V312 HydrophobicContact CD2-CG1 4.01Å; L299-V312 HydrophobicContact CD2-CG2 4.24Å; L299-V312 HydrophobicContact CG-CB 3.97Å; L299-V312 HydrophobicContact CG-CG1 4.44Å; L299-V312 HydrophobicContact CG-CG2 3.9Å; L299-V312 WeakPolarHBondContact O-CB 3.32Å; L299-V312 PolarHBondContact O-N 3.16Å; L299-V329 HydrophobicContact CD1-CG1 4.24Å; L299-V329 HydrophobicContact CD1-CG2 3.85Å; L299-V329 HydrophobicContact CD2-CG1 4.32Å; L299-V329 HydrophobicContact CD2-CG2 3.87Å; L299-V343 HydrophobicContact CD2-CB 4.36Å; L299-V343 HydrophobicContact CD2-CG1 3.69Å; L299-V343 HydrophobicContact CD2-CG2 3.64Å
300	Y	98.5	Very high	95.4	Very high	61 Å²	61	43.8 Å²	43.8	24%	0.239	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	156.2	-176.9	-61.3	-82.9	0	0	0	111.3	A256 Y257 T259 S298 T309 L310	A256-Y300 CarbonylContact C-O 3.5Å; A256-Y300 WeakPolarHBondContact CA-O 3.34Å; Y257-Y300 HydrophobicContact CD2-CD2 4.21Å; Y257-Y300 HydrophobicContact CE1-CG 4.45Å; Y257-Y300 AromaticContact CE2-CD2 3.58Å; Y257-Y300 HydrophobicContact CE2-CD2 3.58Å; Y257-Y300 HydrophobicContact CE2-CE2 4.46Å; Y257-Y300 HydrophobicContact CE2-CG 4.02Å; Y257-Y300 VanDerWaalsContact CZ-CB 3.49Å; Y257-Y300 AromaticContact CZ-CD2 3.92Å; Y257-Y300 AromaticContact CZ-CG 3.87Å; Y257-Y300 PolarHBondContact N-O 2.8Å; Y257-Y300 PolarHBondContact O-N 3.45Å; T259-Y300 WeakPolarHBondContact OG1-CE2 3.44Å; S298-Y300 VanDerWaalsContact CB-CE2 3.5Å; Y300-T309 HydrophobicContact CD1-CG2 3.81Å; Y300-T309 HydrophobicContact CG-CG2 4.1Å; Y300-L310 CarbonylContact C-O 3.48Å; Y300-L310 VanDerWaalsContact CA-O 3.29Å; Y300-L310 WeakPolarHBondContact CA-O 3.07Å
301	V	98.1	Very high	95.4	Very high	3 Å²	3	46 Å²	46	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.7	165.4	172.8	0	0	0	0	108.6	L254 F255 A256 T309 L310 V312 W331 L341 Y363	L254-V301 HydrophobicContact CB-CG1 4.26Å; L254-V301 HydrophobicContact CD1-CG1 4.43Å; F255-V301 WeakPolarHBondContact O-CA 3.23Å; A256-V301 HydrophobicContact CB-CG2 4.24Å; V301-T309 CarbonylContact O-C 3.53Å; V301-T309 WeakPolarHBondContact O-CA 3Å; V301-L310 PolarHBondContact N-O 3.29Å; V301-L310 PolarHBondContact O-N 2.9Å; V301-V312 HydrophobicContact CG2-CG2 3.86Å; V301-W331 HydrophobicContact CG1-CH2 3.87Å; V301-W331 HydrophobicContact CG1-CZ2 4.42Å; V301-W331 HydrophobicContact CG2-CH2 4.04Å; V301-W331 HydrophobicContact CG2-CZ2 4.39Å; V301-L341 HydrophobicContact CG2-CD1 3.59Å; V301-Y363 HydrophobicContact CB-CD2 4.07Å; V301-Y363 HydrophobicContact CB-CE2 3.98Å; V301-Y363 HydrophobicContact CG1-CD2 4.38Å; V301-Y363 HydrophobicContact CG1-CE2 3.78Å; V301-Y363 HydrophobicContact CG2-CD1 4.16Å; V301-Y363 HydrophobicContact CG2-CD2 4.05Å; V301-Y363 HydrophobicContact CG2-CE1 4.2Å; V301-Y363 HydrophobicContact CG2-CE2 4.1Å; V301-Y363 HydrophobicContact CG2-CG 4.09Å
302	W	97	Very high	95.6	Very high	10 Å²	10	43.4 Å²	43.4	4%	0.038	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.5	170	-177.9	76	0	0	0	110.9	Y205 V216 L254 F255 Y257 K304 G307 Q308	Y205-W302 AromaticContact CD1-CH2 3.64Å; Y205-W302 HydrophobicContact CD1-CH2 3.64Å; Y205-W302 HydrophobicContact CD1-CZ3 4.26Å; Y205-W302 AromaticContact CD2-CH2 3.94Å; Y205-W302 HydrophobicContact CD2-CH2 3.94Å; Y205-W302 AromaticContact CD2-CZ3 3.69Å; Y205-W302 HydrophobicContact CD2-CZ3 3.69Å; Y205-W302 HydrophobicContact CE1-CH2 4.17Å; Y205-W302 HydrophobicContact CE2-CH2 4.44Å; Y205-W302 HydrophobicContact CE2-CZ3 4.23Å; Y205-W302 AromaticContact CG-CH2 3.48Å; Y205-W302 HydrophobicContact CG-CH2 3.48Å; Y205-W302 VanDerWaalsContact CG-CH2 3.48Å; Y205-W302 AromaticContact CG-CZ3 3.69Å; Y205-W302 HydrophobicContact CG-CZ3 3.69Å; V216-W302 HydrophobicContact CG1-CB 4.06Å; V216-W302 HydrophobicContact CG1-CD2 3.86Å; V216-W302 HydrophobicContact CG1-CG 3.56Å; V216-W302 HydrophobicContact CG2-CD2 4.12Å; V216-W302 HydrophobicContact CG2-CE3 4.43Å; V216-W302 HydrophobicContact CG2-CH2 4.19Å; V216-W302 HydrophobicContact CG2-CZ2 3.9Å; V216-W302 HydrophobicContact CG2-CZ3 4.44Å; L254-W302 VanDerWaalsContact CA-O 3.3Å; L254-W302 WeakPolarHBondContact CA-O 3.45Å; F255-W302 AromaticContact CD1-CE3 3.82Å; F255-W302 HydrophobicContact CD1-CE3 3.82Å; F255-W302 HydrophobicContact CD1-CZ3 4.33Å; F255-W302 HydrophobicContact CE1-CD2 4.12Å; F255-W302 AromaticContact CE1-CE3 3.21Å; F255-W302 HydrophobicContact CE1-CE3 3.21Å; F255-W302 AromaticContact CE1-CZ3 3.65Å; F255-W302 HydrophobicContact CE1-CZ3 3.65Å; F255-W302 HydrophobicContact CE2-CB 4.12Å; F255-W302 HydrophobicContact CZ-CB 4.17Å; F255-W302 HydrophobicContact CZ-CD2 4.17Å; F255-W302 AromaticContact CZ-CE3 3.71Å; F255-W302 HydrophobicContact CZ-CE3 3.71Å; F255-W302 HydrophobicContact CZ-CG 4.4Å; F255-W302 HydrophobicContact CZ-CZ3 4.39Å; F255-W302 PolarHBondContact N-O 2.77Å; F255-W302 VanDerWaalsContact N-O 3.14Å; F255-W302 PolarHBondContact O-N 2.99Å; Y257-W302 HydrophobicContact CE1-CB 4.39Å; W302-K304 HydrophobicContact CE3-CB 4.14Å; W302-K304 HydrophobicContact CH2-CB 3.62Å; W302-K304 HydrophobicContact CZ3-CB 3.37Å; W302-G307 VanDerWaalsContact NE1-C 3.3Å; W302-G307 PolarHBondContact NE1-O 2.64Å; W302-Q308 WeakPolarHBondContact CA-O 3.35Å; W302-Q308 VanDerWaalsContact CD1-O 3.31Å
303	D	93.3	Very high	95.7	Very high	16 Å²	16	47.6 Å²	47.6	9%	0.086	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.3	177	172.9	21.8	0	0	0	111.3	R253 L254 V305 T306 G307 Q308	R253-D303 WeakPolarHBondContact CG-OD1 3.48Å; R253-D303 IonicContact CZ-OD1 3.67Å; R253-D303 IonicContact CZ-OD2 2.85Å; R253-D303 IonicContact NE-OD1 3.47Å; R253-D303 PolarHBondContact NE-OD1 2.83Å; R253-D303 IonicContact NE-OD2 3.39Å; R253-D303 IonicContact NH2-OD1 2.69Å; R253-D303 IonicContact NH2-OD2 3.71Å; R253-D303 PolarHBondContact NH2-OD2 3.38Å; L254-D303 HydrophobicContact CD2-CB 3.47Å; L254-D303 VanDerWaalsContact CD2-CB 3.47Å; D303-V305 PolarHBondContact O-N 2.68Å; D303-V305 VanDerWaalsContact O-N 3.16Å; D303-V305 PolarHBondContact OD1-N 3.09Å; D303-T306 WeakPolarHBondContact CB-OG1 3.25Å; D303-T306 VanDerWaalsContact CG-OG1 3.31Å; D303-T306 PolarHBondContact O-N 3.23Å; D303-T306 VanDerWaalsContact OD2-CG2 3.3Å; D303-T306 WeakPolarHBondContact OD2-CG2 3.09Å; D303-T306 PolarHBondContact OD2-OG1 2.74Å; D303-G307 WeakPolarHBondContact O-CA 3.18Å; D303-G307 PolarHBondContact O-N 2.76Å; D303-Q308 PolarHBondContact N-O 2.69Å
304	K	88.4	Confident	95.7	Very high	44 Å²	44	45.8 Å²	45.8	19%	0.191	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.4	-176.8	84.7	-169.3	-170.4	-179.4	0	114.5	F194 Y205 G252 R253 W302	F194-K304 VanDerWaalsContact CD2-NZ 3.28Å; Y205-K304 HydrophobicContact CE2-CB 4.19Å; Y205-K304 HydrophobicContact CE2-CD 4.02Å; G252-K304 WeakPolarHBondContact O-CD 3.31Å; G252-K304 VanDerWaalsContact O-CE 3.25Å; G252-K304 WeakPolarHBondContact O-CE 3.06Å; G252-K304 PolarHBondContact O-NZ 2.68Å; R253-K304 VanDerWaalsContact O-CG 3.31Å; R253-K304 WeakPolarHBondContact O-CG 3.44Å; R253-K304 PolarHBondContact O-N 2.77Å; R253-K304 VanDerWaalsContact O-N 3.14Å; W302-K304 HydrophobicContact CE3-CB 4.14Å; W302-K304 HydrophobicContact CH2-CB 3.62Å; W302-K304 HydrophobicContact CZ3-CB 3.37Å
305	V	87.7	Confident	95.7	Very high	105 Å²	105	45.3 Å²	45.3	64%	0.636	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-34.9	-178.9	178.8	0	0	0	0	111.6	R253 D303	R253-V305 HydrophobicContact CG-CG2 3.94Å; D303-V305 PolarHBondContact O-N 2.68Å; D303-V305 VanDerWaalsContact O-N 3.16Å; D303-V305 PolarHBondContact OD1-N 3.09Å
306	T	92	Very high	95.6	Very high	75 Å²	75	48.9 Å²	48.9	46%	0.46	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-14.4	-179.6	56.6	0	0	0	0	113.3	D303 Q308	D303-T306 WeakPolarHBondContact CB-OG1 3.25Å; D303-T306 VanDerWaalsContact CG-OG1 3.31Å; D303-T306 PolarHBondContact O-N 3.23Å; D303-T306 VanDerWaalsContact OD2-CG2 3.3Å; D303-T306 WeakPolarHBondContact OD2-CG2 3.09Å; D303-T306 PolarHBondContact OD2-OG1 2.74Å; T306-Q308 PolarHBondContact O-N 3.09Å
307	G	93.2	Very high	95.6	Very high	45 Å²	45	48.6 Å²	48.6	46%	0.464	27%	0.274	S	S	.	.			trans	70.8	3.3	-173.4	0	0	0	0	0	114.1	W302 D303	W302-G307 VanDerWaalsContact NE1-C 3.3Å; W302-G307 PolarHBondContact NE1-O 2.64Å; D303-G307 WeakPolarHBondContact O-CA 3.18Å; D303-G307 PolarHBondContact O-N 2.76Å
308	Q	94.9	Very high	95.6	Very high	119 Å²	119	47.6 Å²	47.6	56%	0.556	27%	0.269	S	S	*	.			trans	-86.2	141.1	-172.2	-64.1	-174.6	8.3	0	0	112.5	W302 D303 T306	W302-Q308 WeakPolarHBondContact CA-O 3.35Å; W302-Q308 VanDerWaalsContact CD1-O 3.31Å; D303-Q308 PolarHBondContact N-O 2.69Å; T306-Q308 PolarHBondContact O-N 3.09Å
309	T	97	Very high	95.6	Very high	58 Å²	58	50.6 Å²	50.6	36%	0.356	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	131.6	167.2	-59.1	0	0	0	0	109.7	Y257 Y300 V301	Y257-T309 HydrophobicContact CE1-CG2 4.26Å; Y257-T309 VanDerWaalsContact OH-CG2 3.3Å; Y257-T309 WeakPolarHBondContact OH-CG2 3.29Å; Y300-T309 HydrophobicContact CD1-CG2 3.81Å; Y300-T309 HydrophobicContact CG-CG2 4.1Å; V301-T309 CarbonylContact O-C 3.53Å; V301-T309 WeakPolarHBondContact O-CA 3Å
310	L	97.1	Very high	95.5	Very high	68 Å²	68	58.2 Å²	58.2	36%	0.356	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.1	175.2	-61.1	176.2	0	0	0	109.8	Y300 V301 P361 Y363	Y300-L310 CarbonylContact C-O 3.48Å; Y300-L310 VanDerWaalsContact CA-O 3.29Å; Y300-L310 WeakPolarHBondContact CA-O 3.07Å; V301-L310 PolarHBondContact N-O 3.29Å; V301-L310 PolarHBondContact O-N 2.9Å; L310-P361 WeakPolarHBondContact CD1-O 3.45Å; L310-Y363 HydrophobicContact CD1-CD2 4.42Å
311	S	97.6	Very high	95.4	Very high	61 Å²	61	57 Å²	57	43%	0.427	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	127.5	175.6	-175.8	0	0	0	0	110.4
312	V	98.3	Very high	95.1	Very high	4 Å²	4	65.4 Å²	65.4	2%	0.024	35%	0.35	C	S	.	.			trans	-78.8	121.8	176.4	-177.4	0	0	0	0	108.4	L299 V301 P314 L341 C358 Y363 C365	L299-V312 HydrophobicContact CB-CB 4.13Å; L299-V312 HydrophobicContact CB-CG2 4.47Å; L299-V312 HydrophobicContact CD2-CB 4.1Å; L299-V312 HydrophobicContact CD2-CG1 4.01Å; L299-V312 HydrophobicContact CD2-CG2 4.24Å; L299-V312 HydrophobicContact CG-CB 3.97Å; L299-V312 HydrophobicContact CG-CG1 4.44Å; L299-V312 HydrophobicContact CG-CG2 3.9Å; L299-V312 WeakPolarHBondContact O-CB 3.32Å; L299-V312 PolarHBondContact O-N 3.16Å; V301-V312 HydrophobicContact CG2-CG2 3.86Å; V312-P314 WeakPolarHBondContact O-CD 3.26Å; V312-L341 HydrophobicContact CG2-CD1 4.08Å; V312-C358 HydrophobicContact CG1-CB 4.19Å; V312-Y363 WeakPolarHBondContact CA-O 3.48Å; V312-Y363 HydrophobicContact CG2-CG 4.43Å; V312-C365 WeakPolarHBondContact CG1-SG 3.48Å
313	K	97.1	Very high	95	Very high	108 Å²	108	66.3 Å²	66.3	47%	0.47	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-95.5	114.4	-176.5	-56.4	-173.9	-164.9	169	0	110.9	Y363 E364 C365	K313-Y363 PolarHBondContact N-O 3.42Å; K313-E364 HydrophobicContact CD-CG 4.08Å; K313-E364 IonicContact NZ-OE1 3.64Å; K313-E364 PolarHBondContact NZ-OE1 3.36Å; K313-C365 WeakPolarHBondContact O-CB 3.2Å; K313-C365 PolarHBondContact O-N 2.83Å; K313-C365 PolarHBondContact O-SG 3.48Å
314	P	97.3	Very high	95.2	Very high	21 Å²	21	67.5 Å²	67.5	14%	0.136	36%	0.359	C	S	.	.			trans	-57.8	157.2	174.1	-20.4	30.9	0	0	0	112.6	V312 V318 L319 W345	V312-P314 WeakPolarHBondContact O-CD 3.26Å; P314-V318 HydrophobicContact CB-CB 3.9Å; P314-V318 HydrophobicContact CB-CG1 3.63Å; P314-V318 HydrophobicContact CG-CG1 4.39Å; P314-L319 HydrophobicContact CB-CD2 4.16Å; P314-L319 HydrophobicContact CB-CG 4.4Å; P314-L319 HydrophobicContact CG-CD2 4.17Å; P314-W345 HydrophobicContact CB-CZ2 4.26Å; P314-W345 HydrophobicContact CG-CH2 4.09Å; P314-W345 HydrophobicContact CG-CZ2 3.69Å
315	P	95.9	Very high	95.6	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.006	35%	0.35	C	S	.	.			trans	-69.6	161.1	175.9	34.5	-38.4	0	0	0	111.2	E317 V318 L319 A356 L367	P315-E317 VanDerWaalsContact C-N 3.3Å; P315-E317 WeakPolarHBondContact CB-OE2 3.43Å; P315-E317 PolarHBondContact O-N 3.19Å; P315-V318 HydrophobicContact CG-CB 4.18Å; P315-V318 HydrophobicContact CG-CG2 3.85Å; P315-V318 WeakPolarHBondContact O-CB 2.95Å; P315-V318 PolarHBondContact O-N 3.48Å; P315-L319 PolarHBondContact O-N 2.82Å; P315-L319 VanDerWaalsContact O-N 3.11Å; P315-A356 HydrophobicContact CG-CB 3.86Å; P315-L367 HydrophobicContact CB-CB 4.3Å; P315-L367 HydrophobicContact CG-CB 4.44Å
316	P	95.9	Very high	96.1	Very high	82 Å²	82	60.4 Å²	60.4	53%	0.532	32%	0.32	S	S	.	.	H	α-helix	trans	-51.9	-42.5	-172.3	-28.5	36.3	0	0	0	114.6	V318 L319 E320	P316-V318 PolarHBondContact O-N 3.03Å; P316-V318 VanDerWaalsContact O-N 3.15Å; P316-L319 WeakPolarHBondContact O-CA 3.34Å; P316-L319 WeakPolarHBondContact O-CB 3.46Å; P316-L319 PolarHBondContact O-N 3.15Å; P316-E320 PolarHBondContact O-N 3.17Å
317	E	95.9	Very high	96.3	Very high	72 Å²	72	56.9 Å²	56.9	34%	0.336	30%	0.299	S	S	.	.	H	α-helix	trans	-61.4	-26.4	-179.3	-51.8	89.3	155.6	0	0	112.4	P315 F354 L367	P315-E317 VanDerWaalsContact C-N 3.3Å; P315-E317 WeakPolarHBondContact CB-OE2 3.43Å; P315-E317 PolarHBondContact O-N 3.19Å; E317-F354 HydrophobicContact CB-CD1 4.07Å; E317-F354 HydrophobicContact CB-CE1 3.83Å; E317-L367 HydrophobicContact CG-CD2 4.3Å; E317-L367 WeakPolarHBondContact OE1-CD2 3.2Å
318	V	97.3	Very high	96.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-90.9	-25.7	176.3	176.7	0	0	0	0	111.3	P314 P315 P316 L321 K324 W345 F354	P314-V318 HydrophobicContact CB-CB 3.9Å; P314-V318 HydrophobicContact CB-CG1 3.63Å; P314-V318 HydrophobicContact CG-CG1 4.39Å; P315-V318 HydrophobicContact CG-CB 4.18Å; P315-V318 HydrophobicContact CG-CG2 3.85Å; P315-V318 WeakPolarHBondContact O-CB 2.95Å; P315-V318 PolarHBondContact O-N 3.48Å; P316-V318 PolarHBondContact O-N 3.03Å; P316-V318 VanDerWaalsContact O-N 3.15Å; V318-L321 PolarHBondContact O-N 2.94Å; V318-K324 HydrophobicContact CG1-CD 3.57Å; V318-K324 WeakPolarHBondContact O-CD 3.14Å; V318-K324 WeakPolarHBondContact O-CE 3.49Å; V318-K324 PolarHBondContact O-NZ 2.93Å; V318-W345 HydrophobicContact CB-CG 4.46Å; V318-W345 HydrophobicContact CG1-CB 3.79Å; V318-W345 HydrophobicContact CG1-CD2 3.73Å; V318-W345 HydrophobicContact CG1-CE3 4.17Å; V318-W345 HydrophobicContact CG1-CG 3.56Å; V318-W345 HydrophobicContact CG2-CB 3.93Å; V318-W345 HydrophobicContact CG2-CG 4.1Å; V318-F354 HydrophobicContact CG2-CB 3.58Å; V318-F354 HydrophobicContact CG2-CD1 4.18Å; V318-F354 HydrophobicContact CG2-CD2 4.05Å; V318-F354 HydrophobicContact CG2-CG 3.69Å
319	L	96.4	Very high	96.6	Very high	106 Å²	106	49.5 Å²	49.5	56%	0.555	25%	0.253	S	S	*	.	H	α-helix	trans	-70.8	-34.9	172.5	-65.8	175.5	0	0	0	111.8	P314 P315 P316 L321	P314-L319 HydrophobicContact CB-CD2 4.16Å; P314-L319 HydrophobicContact CB-CG 4.4Å; P314-L319 HydrophobicContact CG-CD2 4.17Å; P315-L319 PolarHBondContact O-N 2.82Å; P315-L319 VanDerWaalsContact O-N 3.11Å; P316-L319 WeakPolarHBondContact O-CA 3.34Å; P316-L319 WeakPolarHBondContact O-CB 3.46Å; P316-L319 PolarHBondContact O-N 3.15Å; L319-L321 PolarHBondContact O-N 3.47Å
320	E	96.1	Very high	96.5	Very high	164 Å²	164	48 Å²	48	77%	0.766	24%	0.242	S	C	*	.	S	Bend	trans	-65.7	-21.5	174.1	-70.8	174.7	-170	0	0	113.5	P316 K322	P316-E320 PolarHBondContact O-N 3.17Å; E320-K322 PolarHBondContact O-N 3.36Å; E320-K322 VanDerWaalsContact O-N 3.13Å
321	L	96.2	Very high	96.4	Very high	34 Å²	34	45.2 Å²	45.2	18%	0.178	23%	0.227	C	C	.	.			trans	-69.6	108.2	175.2	-60.2	176.6	0	0	0	111.4	V318 L319 E323 K324 N347 F354	V318-L321 PolarHBondContact O-N 2.94Å; L319-L321 PolarHBondContact O-N 3.47Å; L321-E323 PolarHBondContact O-N 3.19Å; L321-K324 HydrophobicContact CB-CB 4.11Å; L321-K324 HydrophobicContact CD1-CB 4.01Å; L321-K324 PolarHBondContact O-NZ 2.8Å; L321-N347 HydrophobicContact CD1-CB 4.22Å; L321-N347 HydrophobicContact CD2-CB 3.93Å; L321-F354 HydrophobicContact CD1-CD2 4.26Å; L321-F354 HydrophobicContact CD1-CE2 3.82Å; L321-F354 HydrophobicContact CD1-CZ 4.49Å
322	K	92.6	Very high	96.1	Very high	180 Å²	180	42.6 Å²	42.6	78%	0.783	21%	0.208	S	C	*	.	S	Bend	trans	-44.6	-47.8	171.1	-176.9	-151.9	171	-144.7	0	112.3	E320	E320-K322 PolarHBondContact O-N 3.36Å; E320-K322 VanDerWaalsContact O-N 3.13Å
323	E	95.1	Very high	95.3	Very high	30 Å²	30	45.9 Å²	45.9	14%	0.14	22%	0.223	C	C	.	.	S	Bend	trans	-139.1	138.5	178.8	-72.6	173.4	104.8	0	0	109	S293 L294 L321 R348	S293-E323 WeakPolarHBondContact CA-OE1 3.33Å; L294-E323 HydrophobicContact CD1-CB 4.23Å; L294-E323 PolarHBondContact N-OE1 2.85Å; L321-E323 PolarHBondContact O-N 3.19Å; E323-R348 HydrophobicContact CB-CB 4.25Å; E323-R348 VanDerWaalsContact CD-NH1 3.26Å; E323-R348 PolarHBondContact O-N 3.25Å; E323-R348 IonicContact OE1-NH1 3.56Å; E323-R348 PolarHBondContact OE1-NH1 2.9Å; E323-R348 IonicContact OE2-CZ 3.87Å; E323-R348 IonicContact OE2-NH1 2.79Å; E323-R348 PolarHBondContact OE2-NH1 2.66Å
324	K	96.5	Very high	94.5	Very high	40 Å²	40	43.2 Å²	43.2	17%	0.174	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	149.9	-167.2	45.3	173.5	156.2	-80.8	0	111.6	I297 V318 L321 W345 A346	I297-K324 WeakPolarHBondContact CD1-O 3.33Å; V318-K324 HydrophobicContact CG1-CD 3.57Å; V318-K324 WeakPolarHBondContact O-CD 3.14Å; V318-K324 WeakPolarHBondContact O-CE 3.49Å; V318-K324 PolarHBondContact O-NZ 2.93Å; L321-K324 HydrophobicContact CB-CB 4.11Å; L321-K324 HydrophobicContact CD1-CB 4.01Å; L321-K324 PolarHBondContact O-NZ 2.8Å; K324-W345 HydrophobicContact CD-CE3 4.11Å; K324-W345 HydrophobicContact CD-CZ3 4.38Å; K324-A346 CarbonylContact C-O 3.55Å; K324-A346 WeakPolarHBondContact CA-O 3.26Å; K324-A346 WeakPolarHBondContact CB-O 3.47Å
325	Y	97.8	Very high	93.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	163.2	172.3	-62.6	-72.5	0	0	0	112.2	Y235 V239 L294 F327 W345 A346 R348 Q350 T706	Y235-Y325 HydrophobicContact CE2-CD1 4.36Å; Y235-Y325 VanDerWaalsContact OH-CA 3.29Å; Y235-Y325 WeakPolarHBondContact OH-CA 3.47Å; V239-Y325 HydrophobicContact CG2-CD1 4Å; V239-Y325 HydrophobicContact CG2-CE1 4.45Å; L294-Y325 HydrophobicContact CD1-CD1 4.49Å; L294-Y325 HydrophobicContact CD1-CE1 3.69Å; L294-Y325 HydrophobicContact CD1-CE2 4.05Å; L294-Y325 VanDerWaalsContact CD1-CZ 3.42Å; L294-Y325 VanDerWaalsContact CD1-OH 3.29Å; L294-Y325 WeakPolarHBondContact CD1-OH 3.15Å; L294-Y325 HydrophobicContact CD2-CE1 4.28Å; L294-Y325 WeakPolarHBondContact CD2-OH 3.43Å; Y325-F327 HydrophobicContact CD2-CE1 4.42Å; Y325-F327 HydrophobicContact CG-CE1 4.29Å; Y325-W345 VanDerWaalsContact O-CA 3.25Å; Y325-W345 WeakPolarHBondContact O-CA 3.44Å; Y325-A346 PolarHBondContact N-O 2.86Å; Y325-A346 PolarHBondContact O-N 3.44Å; Y325-R348 WeakPolarHBondContact CE2-O 3.43Å; Y325-Q350 HydrophobicContact CD2-CG 3.66Å; Y325-Q350 HydrophobicContact CE2-CG 3.74Å; Y325-T706 HydrophobicContact CD1-CG2 4.32Å; Y325-T706 HydrophobicContact CE1-CG2 3.64Å; Y325-T706 WeakPolarHBondContact CE1-OG1 3.32Å; Y325-T706 HydrophobicContact CE2-CG2 4.25Å; Y325-T706 WeakPolarHBondContact OH-CA 3.43Å; Y325-T706 PolarHBondContact OH-OG1 3.44Å
326	L	97.9	Very high	92.4	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	94.4	177.3	174.1	65.1	0	0	0	107.6	Y235 V239 A258 I297 V329 V343 V344 W345	Y235-L326 HydrophobicContact CE1-CB 3.93Å; Y235-L326 WeakPolarHBondContact CE1-O 3.33Å; Y235-L326 PolarHBondContact OH-N 3.36Å; V239-L326 WeakPolarHBondContact CG1-O 3.2Å; A258-L326 HydrophobicContact CB-CD2 4.13Å; I297-L326 HydrophobicContact CG2-CB 4.39Å; I297-L326 HydrophobicContact CG2-CD2 3.95Å; L326-V329 HydrophobicContact CD1-CG2 3.8Å; L326-V329 HydrophobicContact CD2-CG2 4Å; L326-V329 HydrophobicContact CG-CG2 4.14Å; L326-V343 HydrophobicContact CD1-CG1 3.41Å; L326-V343 VanDerWaalsContact CD1-CG1 3.41Å; L326-V344 CarbonylContact C-O 3.58Å; L326-W345 HydrophobicContact CB-CE3 4.18Å; L326-W345 HydrophobicContact CB-CZ3 4.03Å; L326-W345 HydrophobicContact CD1-CD2 4.21Å; L326-W345 HydrophobicContact CD1-CE3 4.13Å; L326-W345 HydrophobicContact CD1-CH2 4.03Å; L326-W345 HydrophobicContact CD1-CZ2 4.11Å; L326-W345 HydrophobicContact CD1-CZ3 4.04Å; L326-W345 HydrophobicContact CG-CZ3 4.49Å
327	F	97.3	Very high	91.3	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-34.4	-172.1	-76.8	4.5	0	0	0	113.1	V239 Y325 V344 A346 Q350 V353 A378 P380 Y383	V239-F327 HydrophobicContact CG1-CD1 3.84Å; V239-F327 HydrophobicContact CG1-CE1 4.4Å; Y325-F327 HydrophobicContact CD2-CE1 4.42Å; Y325-F327 HydrophobicContact CG-CE1 4.29Å; F327-V344 HydrophobicContact CB-CB 4.22Å; F327-V344 HydrophobicContact CB-CG1 4.16Å; F327-V344 PolarHBondContact N-O 3.14Å; F327-A346 HydrophobicContact CD1-CB 4.11Å; F327-A346 HydrophobicContact CD2-CB 4.11Å; F327-A346 HydrophobicContact CE1-CB 3.64Å; F327-A346 HydrophobicContact CE2-CB 3.65Å; F327-A346 HydrophobicContact CG-CB 4.36Å; F327-A346 HydrophobicContact CZ-CB 3.41Å; F327-A346 VanDerWaalsContact CZ-CB 3.41Å; F327-Q350 HydrophobicContact CE1-CG 4.26Å; F327-Q350 HydrophobicContact CZ-CB 4.28Å; F327-Q350 HydrophobicContact CZ-CG 3.88Å; F327-V353 HydrophobicContact CD2-CG1 4.5Å; F327-V353 HydrophobicContact CE2-CG2 4.23Å; F327-A378 HydrophobicContact CE2-CB 3.91Å; F327-A378 HydrophobicContact CZ-CB 4.49Å; F327-P380 HydrophobicContact CD1-CB 4.05Å; F327-P380 HydrophobicContact CD1-CG 4.18Å; F327-P380 HydrophobicContact CD2-CB 4.21Å; F327-P380 HydrophobicContact CE1-CB 4.15Å; F327-P380 HydrophobicContact CE1-CG 3.77Å; F327-P380 HydrophobicContact CE2-CB 4.31Å; F327-P380 HydrophobicContact CE2-CG 4.16Å; F327-P380 HydrophobicContact CG-CB 4.06Å; F327-P380 HydrophobicContact CZ-CB 4.26Å; F327-P380 HydrophobicContact CZ-CG 3.74Å; F327-Y383 HydrophobicContact CD2-CD2 4.15Å; F327-Y383 HydrophobicContact CD2-CG 4.21Å; F327-Y383 HydrophobicContact CE2-CD2 4.27Å
328	S	96.6	Very high	90.6	Very high	7 Å²	7	50.6 Å²	50.6	5%	0.049	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	150.1	178.5	-154.9	0	0	0	0	112.1	N330 V344	S328-N330 PolarHBondContact OG-OD1 3.03Å; S328-V344 PolarHBondContact O-N 3.09Å
329	V	97.2	Very high	90.3	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	128.5	168.8	178.4	0	0	0	0	107.3	W247 A256 L299 L326 L341 V343	W247-V329 HydrophobicContact CD2-CB 3.74Å; W247-V329 HydrophobicContact CD2-CG1 4.01Å; W247-V329 HydrophobicContact CE3-CB 3.62Å; W247-V329 HydrophobicContact CE3-CG1 3.64Å; W247-V329 HydrophobicContact CE3-CG2 4.07Å; W247-V329 HydrophobicContact CG-CB 4.45Å; W247-V329 HydrophobicContact CH2-CB 3.96Å; W247-V329 HydrophobicContact CH2-CG2 3.71Å; W247-V329 HydrophobicContact CZ2-CB 4.07Å; W247-V329 HydrophobicContact CZ2-CG2 4.2Å; W247-V329 HydrophobicContact CZ3-CB 3.73Å; W247-V329 HydrophobicContact CZ3-CG1 4.04Å; W247-V329 HydrophobicContact CZ3-CG2 3.64Å; A256-V329 HydrophobicContact CB-CG1 4.05Å; L299-V329 HydrophobicContact CD1-CG1 4.24Å; L299-V329 HydrophobicContact CD1-CG2 3.85Å; L299-V329 HydrophobicContact CD2-CG1 4.32Å; L299-V329 HydrophobicContact CD2-CG2 3.87Å; L326-V329 HydrophobicContact CD1-CG2 3.8Å; L326-V329 HydrophobicContact CD2-CG2 4Å; L326-V329 HydrophobicContact CG-CG2 4.14Å; V329-L341 HydrophobicContact CG1-CD2 4.01Å; V329-V343 HydrophobicContact CG2-CG1 4.32Å
330	N	95.6	Very high	90.2	Very high	26 Å²	26	46.1 Å²	46.1	14%	0.139	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	139.7	-175.1	-67.6	95.4	0	0	0	111	S328 L341 L342 I385	S328-N330 PolarHBondContact OG-OD1 3.03Å; N330-L341 CarbonylContact O-C 3.6Å; N330-L341 WeakPolarHBondContact O-CA 3.32Å; N330-L341 WeakPolarHBondContact O-CD2 3.42Å; N330-L342 PolarHBondContact N-O 3Å; N330-L342 PolarHBondContact O-N 2.61Å; N330-I385 HydrophobicContact CB-CG2 4.32Å; N330-I385 VanDerWaalsContact CG-O 3.29Å; N330-I385 PolarHBondContact ND2-O 3.09Å; N330-I385 WeakPolarHBondContact OD1-CB 3.37Å; N330-I385 PolarHBondContact OD1-O 2.67Å
331	W	93.8	Very high	90.2	Very high	10 Å²	10	38.3 Å²	38.3	4%	0.038	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	144.1	168.9	-67.8	94.9	0	0	0	111.1	W247 W248 Y250 L254 A256 V301 E339 L341 Y363 T388	W247-W331 PolarHBondContact O-NE1 3.5Å; W248-W331 VanDerWaalsContact C-CD1 3.45Å; W248-W331 VanDerWaalsContact C-NE1 3.33Å; W248-W331 PolarHBondContact O-NE1 3.15Å; Y250-W331 HydrophobicContact CD2-CB 4.01Å; Y250-W331 HydrophobicContact CE2-CB 3.92Å; L254-W331 HydrophobicContact CB-CH2 3.61Å; L254-W331 HydrophobicContact CB-CZ2 3.86Å; L254-W331 HydrophobicContact CB-CZ3 4.42Å; L254-W331 HydrophobicContact CD1-CH2 3.61Å; L254-W331 HydrophobicContact CD1-CZ3 3.78Å; L254-W331 HydrophobicContact CG-CH2 4.27Å; A256-W331 HydrophobicContact CB-CZ2 3.92Å; V301-W331 HydrophobicContact CG1-CH2 3.87Å; V301-W331 HydrophobicContact CG1-CZ2 4.42Å; V301-W331 HydrophobicContact CG2-CH2 4.04Å; V301-W331 HydrophobicContact CG2-CZ2 4.39Å; W331-E339 HydrophobicContact CE3-CB 3.61Å; W331-E339 HydrophobicContact CZ3-CB 3.78Å; W331-L341 HydrophobicContact CD2-CD2 3.47Å; W331-L341 VanDerWaalsContact CD2-CD2 3.47Å; W331-L341 HydrophobicContact CD2-CG 4.33Å; W331-L341 HydrophobicContact CE3-CD2 3.72Å; W331-L341 HydrophobicContact CE3-CG 4.1Å; W331-L341 HydrophobicContact CG-CD2 3.9Å; W331-L341 HydrophobicContact CH2-CD2 4.23Å; W331-L341 HydrophobicContact CH2-CG 4.3Å; W331-L341 HydrophobicContact CZ2-CD2 4.01Å; W331-L341 HydrophobicContact CZ3-CD2 4.1Å; W331-L341 HydrophobicContact CZ3-CG 4.08Å; W331-Y363 HydrophobicContact CH2-CE1 4.46Å; W331-Y363 HydrophobicContact CZ3-CE1 4.18Å; W331-T388 PolarHBondContact O-OG1 2.97Å
332	M	91.6	Very high	90.2	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.03	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.3	169.7	-77.8	-70.1	-61.1	0	0	109.1	S334 S340 L342 Y357 T388 D389 I420	M332-S334 PolarHBondContact O-N 2.82Å; M332-S340 WeakPolarHBondContact CB-O 3.41Å; M332-S340 PolarHBondContact N-O 2.73Å; M332-L342 HydrophobicContact CG-CD1 4.34Å; M332-L342 HydrophobicContact CG-CG 4.02Å; M332-L342 HydrophobicContact SD-CD1 3.44Å; M332-L342 WeakPolarHBondContact SD-CD1 3.45Å; M332-L342 HydrophobicContact SD-CG 3.72Å; M332-Y357 HydrophobicContact CG-CD2 4.36Å; M332-Y357 HydrophobicContact CG-CE2 4.06Å; M332-T388 HydrophobicContact SD-CG2 3.88Å; M332-D389 WeakPolarHBondContact CE-O 3.49Å; M332-I420 HydrophobicContact CE-CD1 3.44Å; M332-I420 VanDerWaalsContact CE-CD1 3.44Å; M332-I420 HydrophobicContact SD-CD1 3.68Å
333	Q	81.7	Confident	90.5	Very high	73 Å²	73	28.1 Å²	28.1	34%	0.341	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-67.4	125.5	173.8	-163.6	176.2	7.2	0	0	109.7	Y250 T388	Y250-Q333 HydrophobicContact CD1-CG 4.48Å; Y250-Q333 HydrophobicContact CD2-CB 4.12Å; Y250-Q333 HydrophobicContact CD2-CG 4.29Å; Y250-Q333 HydrophobicContact CE1-CG 4.47Å; Y250-Q333 HydrophobicContact CE2-CB 3.72Å; Y250-Q333 HydrophobicContact CE2-CG 4.27Å; Y250-Q333 HydrophobicContact CG-CG 4.39Å; Q333-T388 PolarHBondContact N-OG1 3.48Å
334	S	80.7	Confident	90.6	Very high	53 Å²	53	26.7 Å²	26.7	37%	0.371	16%	0.164	S	C	.	.			trans	-133.7	147.3	-174.3	-178.5	0	0	0	0	109.8	M332 G336	M332-S334 PolarHBondContact O-N 2.82Å; S334-G336 VanDerWaalsContact C-N 3.31Å; S334-G336 PolarHBondContact OG-N 3.48Å; S334-G336 VanDerWaalsContact OG-N 3.13Å
335	S	73.4	Confident	90.7	Very high	111 Å²	111	25 Å²	25	78%	0.776	16%	0.156	S	C	*	.	S	Bend	trans	-77.2	-15.6	167.2	53.8	0	0	0	0	113.4	E390	S335-E390 WeakPolarHBondContact CB-OE1 3.36Å; S335-E390 PolarHBondContact N-OE1 2.81Å; S335-E390 PolarHBondContact OG-OE1 3.37Å
336	G	74.2	Confident	90.7	Very high	37 Å²	37	25 Å²	25	38%	0.381	16%	0.156	S	C	.	.	S	Bend	trans	-91.3	170.9	177.4	0	0	0	0	0	114.3	S334 D338	S334-G336 VanDerWaalsContact C-N 3.31Å; S334-G336 PolarHBondContact OG-N 3.48Å; S334-G336 VanDerWaalsContact OG-N 3.13Å; G336-D338 PolarHBondContact O-N 3Å
337	T	72.4	Confident	90.7	Very high	95 Å²	95	26 Å²	26	58%	0.583	16%	0.162	S	C	*	.	S	Bend	trans	-71.4	-15.5	174.5	51	0	0	0	0	114.3	E339	T337-E339 PolarHBondContact O-N 3.28Å
338	D	82.7	Confident	90.6	Very high	87 Å²	87	27.2 Å²	27.2	47%	0.465	17%	0.167	S	C	.	.			trans	-102.9	83.5	-166.8	-70.8	18	0	0	0	108.5	G336 P360	G336-D338 PolarHBondContact O-N 3Å; D338-P360 HydrophobicContact CB-CB 4.43Å; D338-P360 HydrophobicContact CB-CG 3.93Å
339	E	90.6	Very high	90.6	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.009	17%	0.171	C	C	.	.			trans	-75.5	135.5	-177	-58.1	-173.9	72.8	0	0	110.7	S249 Y250 T251 W331 T337 Y363	S249-E339 VanDerWaalsContact CB-CD 3.42Å; S249-E339 WeakPolarHBondContact CB-OE1 3.45Å; S249-E339 WeakPolarHBondContact CB-OE2 3.43Å; S249-E339 PolarHBondContact OG-OE2 2.91Å; Y250-E339 WeakPolarHBondContact CA-OE1 3.34Å; Y250-E339 WeakPolarHBondContact CB-OE1 3.35Å; Y250-E339 PolarHBondContact N-OE1 3.24Å; T251-E339 VanDerWaalsContact CB-OE2 3.29Å; T251-E339 WeakPolarHBondContact CB-OE2 3.36Å; T251-E339 HydrophobicContact CG2-CG 4.46Å; T251-E339 VanDerWaalsContact CG2-OE2 3.26Å; T251-E339 WeakPolarHBondContact CG2-OE2 3.48Å; T251-E339 PolarHBondContact N-OE2 2.84Å; T251-E339 PolarHBondContact OG1-OE2 3.47Å; W331-E339 HydrophobicContact CE3-CB 3.61Å; W331-E339 HydrophobicContact CZ3-CB 3.78Å; T337-E339 PolarHBondContact O-N 3.28Å; E339-Y363 PolarHBondContact O-OH 2.86Å; E339-Y363 VanDerWaalsContact O-OH 3.09Å
340	S	94.3	Very high	90.6	Very high	11 Å²	11	27.9 Å²	27.9	8%	0.077	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	162.2	-179.8	-57.5	0	0	0	0	111.1	M332 Y357 P360	M332-S340 WeakPolarHBondContact CB-O 3.41Å; M332-S340 PolarHBondContact N-O 2.73Å; S340-Y357 VanDerWaalsContact CB-CE2 3.46Å; S340-Y357 PolarHBondContact OG-OH 2.83Å; S340-P360 WeakPolarHBondContact OG-CD 3.37Å
341	L	95.7	Very high	90.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	143.9	174.2	-71.8	171.8	0	0	0	111.9	A256 V301 V312 V329 N330 W331 V343 C358 Y363	A256-L341 HydrophobicContact CB-CD1 4.08Å; A256-L341 HydrophobicContact CB-CD2 4.13Å; V301-L341 HydrophobicContact CG2-CD1 3.59Å; V312-L341 HydrophobicContact CG2-CD1 4.08Å; V329-L341 HydrophobicContact CG1-CD2 4.01Å; N330-L341 CarbonylContact O-C 3.6Å; N330-L341 WeakPolarHBondContact O-CA 3.32Å; N330-L341 WeakPolarHBondContact O-CD2 3.42Å; W331-L341 HydrophobicContact CD2-CD2 3.47Å; W331-L341 VanDerWaalsContact CD2-CD2 3.47Å; W331-L341 HydrophobicContact CD2-CG 4.33Å; W331-L341 HydrophobicContact CE3-CD2 3.72Å; W331-L341 HydrophobicContact CE3-CG 4.1Å; W331-L341 HydrophobicContact CG-CD2 3.9Å; W331-L341 HydrophobicContact CH2-CD2 4.23Å; W331-L341 HydrophobicContact CH2-CG 4.3Å; W331-L341 HydrophobicContact CZ2-CD2 4.01Å; W331-L341 HydrophobicContact CZ3-CD2 4.1Å; W331-L341 HydrophobicContact CZ3-CG 4.08Å; L341-V343 HydrophobicContact CB-CG2 4.05Å; L341-C358 HydrophobicContact CB-CB 4.13Å; L341-C358 PolarHBondContact N-O 2.76Å; L341-C358 PolarHBondContact O-N 3.45Å; L341-Y363 HydrophobicContact CD1-CD1 4.18Å; L341-Y363 HydrophobicContact CD1-CE1 4.46Å; L341-Y363 HydrophobicContact CG-CD1 4.43Å; L341-Y363 HydrophobicContact CG-CE1 4.39Å
342	L	96.6	Very high	90.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134.1	153.3	-74.6	171.4	0	0	0	108.7	N330 M332 I355 A356 Y357 I385 T388 Y393 I420	N330-L342 PolarHBondContact N-O 3Å; N330-L342 PolarHBondContact O-N 2.61Å; M332-L342 HydrophobicContact CG-CD1 4.34Å; M332-L342 HydrophobicContact CG-CG 4.02Å; M332-L342 HydrophobicContact SD-CD1 3.44Å; M332-L342 WeakPolarHBondContact SD-CD1 3.45Å; M332-L342 HydrophobicContact SD-CG 3.72Å; L342-I355 HydrophobicContact CD2-CG2 4.28Å; L342-A356 WeakPolarHBondContact CA-O 3.11Å; L342-Y357 HydrophobicContact CD2-CD2 4.19Å; L342-I385 HydrophobicContact CB-CD1 4.32Å; L342-I385 HydrophobicContact CD1-CD1 4.19Å; L342-I385 HydrophobicContact CD1-CG2 4.49Å; L342-T388 HydrophobicContact CD1-CG2 3.95Å; L342-Y393 HydrophobicContact CD1-CD1 3.44Å; L342-Y393 VanDerWaalsContact CD1-CD1 3.44Å; L342-Y393 HydrophobicContact CD1-CD2 4.23Å; L342-Y393 HydrophobicContact CD1-CE1 4.13Å; L342-Y393 HydrophobicContact CD1-CG 3.49Å; L342-Y393 VanDerWaalsContact CD1-CG 3.49Å; L342-Y393 HydrophobicContact CD2-CD1 4.15Å; L342-Y393 HydrophobicContact CD2-CE1 4.08Å; L342-Y393 HydrophobicContact CG-CD1 4.47Å; L342-I420 HydrophobicContact CD1-CD1 4.44Å; L342-I420 HydrophobicContact CD2-CD1 4.04Å
343	V	98	Very high	91.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	124.7	-176.8	-171.6	0	0	0	0	108.7	L299 L326 V329 L341 W345 A356 C358	L299-V343 HydrophobicContact CD2-CB 4.36Å; L299-V343 HydrophobicContact CD2-CG1 3.69Å; L299-V343 HydrophobicContact CD2-CG2 3.64Å; L326-V343 HydrophobicContact CD1-CG1 3.41Å; L326-V343 VanDerWaalsContact CD1-CG1 3.41Å; V329-V343 HydrophobicContact CG2-CG1 4.32Å; L341-V343 HydrophobicContact CB-CG2 4.05Å; V343-W345 HydrophobicContact CG1-CD2 4.36Å; V343-W345 VanDerWaalsContact CG1-CE2 3.5Å; V343-W345 HydrophobicContact CG1-CZ2 3.68Å; V343-W345 VanDerWaalsContact CG1-NE1 3.28Å; V343-A356 PolarHBondContact N-O 2.63Å; V343-A356 PolarHBondContact O-N 2.89Å; V343-C358 VanDerWaalsContact CG2-SG 3.59Å
344	V	98.1	Very high	91.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.2	-178.7	-168.6	0	0	0	0	110.3	L326 F327 S328 V353 F354 I355 Y383 I385	L326-V344 CarbonylContact C-O 3.58Å; F327-V344 HydrophobicContact CB-CB 4.22Å; F327-V344 HydrophobicContact CB-CG1 4.16Å; F327-V344 PolarHBondContact N-O 3.14Å; S328-V344 PolarHBondContact O-N 3.09Å; V344-V353 HydrophobicContact CG1-CG1 3.51Å; V344-F354 WeakPolarHBondContact CA-O 3.14Å; V344-I355 HydrophobicContact CG1-CG1 4Å; V344-I355 HydrophobicContact CG2-CB 4.5Å; V344-I355 HydrophobicContact CG2-CG1 4.07Å; V344-I355 HydrophobicContact CG2-CG2 4.16Å; V344-Y383 HydrophobicContact CG1-CD1 4.23Å; V344-Y383 HydrophobicContact CG1-CG 4.43Å; V344-I385 HydrophobicContact CG2-CD1 3.76Å; V344-I385 HydrophobicContact CG2-CG1 4.37Å
345	W	98.3	Very high	92.6	Very high	3 Å²	3	23.4 Å²	23.4	1%	0.011	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	153.6	178	-55.3	91.6	0	0	0	110.8	P314 V318 K324 Y325 L326 V343 V353 F354	P314-W345 HydrophobicContact CB-CZ2 4.26Å; P314-W345 HydrophobicContact CG-CH2 4.09Å; P314-W345 HydrophobicContact CG-CZ2 3.69Å; V318-W345 HydrophobicContact CB-CG 4.46Å; V318-W345 HydrophobicContact CG1-CB 3.79Å; V318-W345 HydrophobicContact CG1-CD2 3.73Å; V318-W345 HydrophobicContact CG1-CE3 4.17Å; V318-W345 HydrophobicContact CG1-CG 3.56Å; V318-W345 HydrophobicContact CG2-CB 3.93Å; V318-W345 HydrophobicContact CG2-CG 4.1Å; K324-W345 HydrophobicContact CD-CE3 4.11Å; K324-W345 HydrophobicContact CD-CZ3 4.38Å; Y325-W345 VanDerWaalsContact O-CA 3.25Å; Y325-W345 WeakPolarHBondContact O-CA 3.44Å; L326-W345 HydrophobicContact CB-CE3 4.18Å; L326-W345 HydrophobicContact CB-CZ3 4.03Å; L326-W345 HydrophobicContact CD1-CD2 4.21Å; L326-W345 HydrophobicContact CD1-CE3 4.13Å; L326-W345 HydrophobicContact CD1-CH2 4.03Å; L326-W345 HydrophobicContact CD1-CZ2 4.11Å; L326-W345 HydrophobicContact CD1-CZ3 4.04Å; L326-W345 HydrophobicContact CG-CZ3 4.49Å; V343-W345 HydrophobicContact CG1-CD2 4.36Å; V343-W345 VanDerWaalsContact CG1-CE2 3.5Å; V343-W345 HydrophobicContact CG1-CZ2 3.68Å; V343-W345 VanDerWaalsContact CG1-NE1 3.28Å; W345-V353 CarbonylContact O-C 3.5Å; W345-V353 WeakPolarHBondContact O-CA 2.99Å; W345-V353 WeakPolarHBondContact O-CG1 3.15Å; W345-F354 HydrophobicContact CB-CB 4.43Å; W345-F354 PolarHBondContact N-O 2.84Å; W345-F354 PolarHBondContact O-N 2.65Å
346	A	98.1	Very high	93.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	157.7	170.2	0	0	0	0	0	111.4	K324 Y325 F327 S352 V353	K324-A346 CarbonylContact C-O 3.55Å; K324-A346 WeakPolarHBondContact CA-O 3.26Å; K324-A346 WeakPolarHBondContact CB-O 3.47Å; Y325-A346 PolarHBondContact N-O 2.86Å; Y325-A346 PolarHBondContact O-N 3.44Å; F327-A346 HydrophobicContact CD1-CB 4.11Å; F327-A346 HydrophobicContact CD2-CB 4.11Å; F327-A346 HydrophobicContact CE1-CB 3.64Å; F327-A346 HydrophobicContact CE2-CB 3.65Å; F327-A346 HydrophobicContact CG-CB 4.36Å; F327-A346 HydrophobicContact CZ-CB 3.41Å; F327-A346 VanDerWaalsContact CZ-CB 3.41Å; A346-S352 CarbonylContact C-O 3.32Å; A346-S352 VanDerWaalsContact CA-O 3.27Å; A346-S352 WeakPolarHBondContact CA-O 3.17Å; A346-V353 HydrophobicContact CB-CG2 4.25Å
347	N	97.4	Very high	94.8	Very high	24 Å²	24	17.8 Å²	17.8	13%	0.128	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	164.7	170	71.6	-15.8	0	0	0	111.8	L321 V349 Q350 N351 S352	L321-N347 HydrophobicContact CD1-CB 4.22Å; L321-N347 HydrophobicContact CD2-CB 3.93Å; N347-V349 VanDerWaalsContact C-N 3.28Å; N347-V349 PolarHBondContact O-N 2.91Å; N347-Q350 WeakPolarHBondContact O-CA 3.45Å; N347-Q350 PolarHBondContact O-N 3.47Å; N347-Q350 WeakPolarHBondContact OD1-CA 3.41Å; N347-Q350 PolarHBondContact OD1-N 2.58Å; N347-N351 PolarHBondContact ND2-OD1 3.37Å; N347-N351 PolarHBondContact OD1-N 3.49Å; N347-S352 PolarHBondContact N-O 3.27Å; N347-S352 PolarHBondContact OD1-N 2.79Å; N347-S352 PolarHBondContact OD1-O 3.24Å
348	R	96.6	Very high	95.9	Very high	25 Å²	25	13.2 Å²	13.2	9%	0.094	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-38	179.4	175.7	169.7	177.1	135.2	15.6	114.7	A292 L294 E323 Y325 Q350 E709 L714	A292-R348 VanDerWaalsContact O-CZ 3.29Å; A292-R348 PolarHBondContact O-NH1 2.6Å; A292-R348 PolarHBondContact O-NH2 2.8Å; L294-R348 HydrophobicContact CD1-CB 4.35Å; L294-R348 HydrophobicContact CD1-CG 4.06Å; E323-R348 HydrophobicContact CB-CB 4.25Å; E323-R348 VanDerWaalsContact CD-NH1 3.26Å; E323-R348 PolarHBondContact O-N 3.25Å; E323-R348 IonicContact OE1-NH1 3.56Å; E323-R348 PolarHBondContact OE1-NH1 2.9Å; E323-R348 IonicContact OE2-CZ 3.87Å; E323-R348 IonicContact OE2-NH1 2.79Å; E323-R348 PolarHBondContact OE2-NH1 2.66Å; Y325-R348 WeakPolarHBondContact CE2-O 3.43Å; R348-Q350 PolarHBondContact O-N 3Å; R348-E709 WeakPolarHBondContact CG-OE2 3.41Å; R348-E709 IonicContact CZ-OE1 3.94Å; R348-E709 IonicContact CZ-OE2 3.65Å; R348-E709 IonicContact NE-OE1 3.23Å; R348-E709 IonicContact NE-OE2 3.54Å; R348-E709 PolarHBondContact NE-OE2 2.88Å; R348-E709 IonicContact NH2-OE1 2.72Å; R348-E709 PolarHBondContact NH2-OE1 3.44Å; R348-E709 IonicContact NH2-OE2 2.7Å; R348-E709 PolarHBondContact NH2-OE2 3.16Å; R348-L714 HydrophobicContact CG-CD2 4.17Å
349	V	95.5	Very high	96.3	Very high	22 Å²	22	13 Å²	13	13%	0.133	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-7.8	177.9	-176.4	0	0	0	0	112.2	N347 N351 L714	N347-V349 VanDerWaalsContact C-N 3.28Å; N347-V349 PolarHBondContact O-N 2.91Å; V349-N351 HydrophobicContact CG1-CB 4.4Å; V349-N351 PolarHBondContact O-N 2.84Å; V349-L714 HydrophobicContact CG2-CD1 4.22Å; V349-L714 HydrophobicContact CG2-CD2 3.74Å; V349-L714 HydrophobicContact CG2-CG 3.67Å
350	Q	97.2	Very high	96.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	S	Bend	trans	55.4	33.5	-179.4	-61.9	162.3	80.1	0	0	112.6	Y325 F327 N347 R348 W377 A378 T706 R710	Y325-Q350 HydrophobicContact CD2-CG 3.66Å; Y325-Q350 HydrophobicContact CE2-CG 3.74Å; F327-Q350 HydrophobicContact CE1-CG 4.26Å; F327-Q350 HydrophobicContact CZ-CB 4.28Å; F327-Q350 HydrophobicContact CZ-CG 3.88Å; N347-Q350 WeakPolarHBondContact O-CA 3.45Å; N347-Q350 PolarHBondContact O-N 3.47Å; N347-Q350 WeakPolarHBondContact OD1-CA 3.41Å; N347-Q350 PolarHBondContact OD1-N 2.58Å; R348-Q350 PolarHBondContact O-N 3Å; Q350-W377 CarbonylContact O-C 3.47Å; Q350-A378 VanDerWaalsContact O-CB 3.27Å; Q350-A378 WeakPolarHBondContact O-CB 3.4Å; Q350-A378 PolarHBondContact O-N 3.5Å; Q350-T706 PolarHBondContact NE2-O 3.22Å; Q350-R710 HydrophobicContact CB-CG 4.42Å
351	N	96.1	Very high	96.1	Very high	32 Å²	32	18.3 Å²	18.3	17%	0.171	10%	0.098	C	C	.	.			trans	-110.6	-1.1	174.8	83.4	-56.2	0	0	0	113.1	N347 V349 N372 Y373	N347-N351 PolarHBondContact ND2-OD1 3.37Å; N347-N351 PolarHBondContact OD1-N 3.49Å; V349-N351 HydrophobicContact CG1-CB 4.4Å; V349-N351 PolarHBondContact O-N 2.84Å; N351-N372 CarbonylContact O-C 3.52Å; N351-N372 WeakPolarHBondContact O-CA 3.13Å; N351-Y373 PolarHBondContact ND2-O 2.83Å; N351-Y373 WeakPolarHBondContact O-CD2 3.45Å; N351-Y373 PolarHBondContact O-N 3.43Å
352	S	97.1	Very high	96	Very high	21 Å²	21	24.8 Å²	24.8	15%	0.147	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.9	169	-66.3	0	0	0	0	110	A346 N347 Q371 N372	A346-S352 CarbonylContact C-O 3.32Å; A346-S352 VanDerWaalsContact CA-O 3.27Å; A346-S352 WeakPolarHBondContact CA-O 3.17Å; N347-S352 PolarHBondContact N-O 3.27Å; N347-S352 PolarHBondContact OD1-N 2.79Å; N347-S352 PolarHBondContact OD1-O 3.24Å; S352-Q371 WeakPolarHBondContact CA-O 3.29Å; S352-N372 WeakPolarHBondContact CB-OD1 3.5Å; S352-N372 PolarHBondContact OG-OD1 2.9Å
353	V	97.9	Very high	96	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140	-179.1	-172.7	0	0	0	0	110.3	F327 V344 W345 A346 N370 Q371 A378 Y383	F327-V353 HydrophobicContact CD2-CG1 4.5Å; F327-V353 HydrophobicContact CE2-CG2 4.23Å; V344-V353 HydrophobicContact CG1-CG1 3.51Å; W345-V353 CarbonylContact O-C 3.5Å; W345-V353 WeakPolarHBondContact O-CA 2.99Å; W345-V353 WeakPolarHBondContact O-CG1 3.15Å; A346-V353 HydrophobicContact CB-CG2 4.25Å; V353-N370 CarbonylContact O-C 3.58Å; V353-N370 VanDerWaalsContact O-CA 3.22Å; V353-N370 WeakPolarHBondContact O-CA 3.36Å; V353-Q371 PolarHBondContact N-O 3.47Å; V353-Q371 PolarHBondContact O-N 2.7Å; V353-A378 HydrophobicContact CG2-CB 3.31Å; V353-Y383 HydrophobicContact CB-CE1 4.04Å; V353-Y383 HydrophobicContact CG1-CD1 3.64Å; V353-Y383 HydrophobicContact CG1-CD2 4.42Å; V353-Y383 HydrophobicContact CG1-CE1 3.62Å; V353-Y383 HydrophobicContact CG1-CE2 4.42Å; V353-Y383 HydrophobicContact CG1-CG 4.04Å; V353-Y383 HydrophobicContact CG2-CD2 4.41Å; V353-Y383 HydrophobicContact CG2-CE1 4.34Å; V353-Y383 HydrophobicContact CG2-CE2 3.95Å
354	F	97.6	Very high	95.8	Very high	20 Å²	20	29.2 Å²	29.2	9%	0.088	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	108.1	-172.2	-53.3	-97.6	0	0	0	109.2	E317 V318 L321 V344 W345 L367 N370	E317-F354 HydrophobicContact CB-CD1 4.07Å; E317-F354 HydrophobicContact CB-CE1 3.83Å; V318-F354 HydrophobicContact CG2-CB 3.58Å; V318-F354 HydrophobicContact CG2-CD1 4.18Å; V318-F354 HydrophobicContact CG2-CD2 4.05Å; V318-F354 HydrophobicContact CG2-CG 3.69Å; L321-F354 HydrophobicContact CD1-CD2 4.26Å; L321-F354 HydrophobicContact CD1-CE2 3.82Å; L321-F354 HydrophobicContact CD1-CZ 4.49Å; V344-F354 WeakPolarHBondContact CA-O 3.14Å; W345-F354 HydrophobicContact CB-CB 4.43Å; W345-F354 PolarHBondContact N-O 2.84Å; W345-F354 PolarHBondContact O-N 2.65Å; F354-L367 HydrophobicContact CB-CD1 3.86Å; F354-L367 HydrophobicContact CD1-CD1 4.06Å; F354-L367 HydrophobicContact CG-CD1 4.48Å; F354-N370 HydrophobicContact CD1-CB 4.4Å
355	I	97.6	Very high	95.7	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	114.1	172.4	-50.6	178.5	0	0	0	107.7	L342 V344 N368 Y369 Y383 I385 Y393 V395	L342-I355 HydrophobicContact CD2-CG2 4.28Å; V344-I355 HydrophobicContact CG1-CG1 4Å; V344-I355 HydrophobicContact CG2-CB 4.5Å; V344-I355 HydrophobicContact CG2-CG1 4.07Å; V344-I355 HydrophobicContact CG2-CG2 4.16Å; I355-N368 PolarHBondContact O-N 2.9Å; I355-Y369 HydrophobicContact CD1-CD1 4.02Å; I355-Y369 PolarHBondContact N-O 3.31Å; I355-Y369 PolarHBondContact O-N 2.91Å; I355-Y383 HydrophobicContact CD1-CD1 4.46Å; I355-I385 HydrophobicContact CG2-CD1 3.99Å; I355-Y393 HydrophobicContact CD1-CE2 3.85Å; I355-Y393 WeakPolarHBondContact CD1-OH 3.37Å; I355-Y393 HydrophobicContact CG2-CE1 4.4Å; I355-Y393 HydrophobicContact CG2-CE2 4.07Å; I355-Y393 VanDerWaalsContact CG2-OH 3.3Å; I355-Y393 WeakPolarHBondContact CG2-OH 3.12Å; I355-V395 HydrophobicContact CD1-CG1 4.44Å; I355-V395 HydrophobicContact CD1-CG2 4.38Å
356	A	96.7	Very high	95.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.9	-176	0	0	0	0	0	111.3	P315 L342 V343 C365 I366	P315-A356 HydrophobicContact CG-CB 3.86Å; L342-A356 WeakPolarHBondContact CA-O 3.11Å; V343-A356 PolarHBondContact N-O 2.63Å; V343-A356 PolarHBondContact O-N 2.89Å; A356-C365 HydrophobicContact CB-CB 4.02Å; A356-I366 CarbonylContact C-O 3.59Å; A356-I366 VanDerWaalsContact CA-O 3.26Å; A356-I366 WeakPolarHBondContact CA-O 3.28Å
357	Y	95.4	Very high	95.5	Very high	29 Å²	29	32.9 Å²	32.9	11%	0.114	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120	177.2	172.4	-114.6	0	0	0	109.9	M332 S340 L342 K359 C365 I366 I420	M332-Y357 HydrophobicContact CG-CD2 4.36Å; M332-Y357 HydrophobicContact CG-CE2 4.06Å; S340-Y357 VanDerWaalsContact CB-CE2 3.46Å; S340-Y357 PolarHBondContact OG-OH 2.83Å; L342-Y357 HydrophobicContact CD2-CD2 4.19Å; Y357-K359 HydrophobicContact CD1-CG 4.09Å; Y357-K359 HydrophobicContact CE1-CD 4.26Å; Y357-K359 HydrophobicContact CE1-CG 3.63Å; Y357-C365 WeakPolarHBondContact O-CA 3.33Å; Y357-I366 HydrophobicContact CD1-CD1 4.34Å; Y357-I366 HydrophobicContact CD1-CG1 4.32Å; Y357-I366 PolarHBondContact N-O 3.41Å; Y357-I366 WeakPolarHBondContact O-CG1 3.28Å; Y357-I366 PolarHBondContact O-N 2.87Å; Y357-I420 HydrophobicContact CD1-CG2 3.7Å; Y357-I420 HydrophobicContact CD2-CD1 4.01Å; Y357-I420 HydrophobicContact CD2-CG2 4.19Å; Y357-I420 HydrophobicContact CE1-CG2 3.87Å; Y357-I420 HydrophobicContact CE2-CD1 4.32Å; Y357-I420 HydrophobicContact CE2-CG2 4.35Å; Y357-I420 HydrophobicContact CG-CG2 3.86Å
358	C	95.5	Very high	95.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.9	-168.9	-45.3	0	0	0	0	110.9	V312 L341 V343 Y363 C365	V312-C358 HydrophobicContact CG1-CB 4.19Å; L341-C358 HydrophobicContact CB-CB 4.13Å; L341-C358 PolarHBondContact N-O 2.76Å; L341-C358 PolarHBondContact O-N 3.45Å; V343-C358 VanDerWaalsContact CG2-SG 3.59Å; C358-Y363 HydrophobicContact CB-CD1 4.48Å; C358-C365 HydrophobicContact CB-CB 3.97Å; C358-C365 WeakPolarHBondContact CB-SG 3.49Å; C358-C365 WeakPolarHBondContact SG-CB 3.11Å; C358-C365 CovalentContact SG-SG 2.03Å; C358-C365 PolarHBondContact SG-SG 2.84Å
359	K	92	Very high	95.4	Very high	81 Å²	81	32.4 Å²	32.4	35%	0.352	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	130.5	-168.3	-67	176.2	177	177.8	0	111.9	Y357 Y363 E364	Y357-K359 HydrophobicContact CD1-CG 4.09Å; Y357-K359 HydrophobicContact CE1-CD 4.26Å; Y357-K359 HydrophobicContact CE1-CG 3.63Å; K359-Y363 VanDerWaalsContact O-CA 3.27Å; K359-Y363 WeakPolarHBondContact O-CA 3.08Å; K359-Y363 PolarHBondContact O-N 2.6Å; K359-E364 PolarHBondContact N-O 3.22Å
360	P	91.8	Very high	95.4	Very high	32 Å²	32	34.2 Å²	34.2	21%	0.208	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	162.7	169	30.1	-35.1	0	0	0	110.9	D338 S340 Y363	D338-P360 HydrophobicContact CB-CB 4.43Å; D338-P360 HydrophobicContact CB-CG 3.93Å; S340-P360 WeakPolarHBondContact OG-CD 3.37Å; P360-Y363 HydrophobicContact CB-CE1 4.25Å
361	P	89.7	Confident	95.3	Very high	93 Å²	93	35.7 Å²	35.7	60%	0.604	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	cis	-79.5	-14.8	-7.1	32.6	-35.6	0	0	0	113.2	L310 Y363	L310-P361 WeakPolarHBondContact CD1-O 3.45Å; P361-Y363 WeakPolarHBondContact O-CD2 3.48Å; P361-Y363 WeakPolarHBondContact O-CE2 3.47Å
362	K	93	Very high	95.2	Very high	137 Å²	137	37.9 Å²	37.9	60%	0.596	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-17	-170.5	-63.8	-176.4	178.5	178.8	0	115.4	E364	K362-E364 VanDerWaalsContact C-N 3.27Å; K362-E364 HydrophobicContact CB-CG 3.82Å; K362-E364 HydrophobicContact CD-CG 4.42Å; K362-E364 WeakPolarHBondContact CD-OE2 3.27Å; K362-E364 IonicContact NZ-OE2 3.6Å; K362-E364 PolarHBondContact O-N 2.95Å
363	Y	95.8	Very high	95	Very high	9 Å²	9	37.2 Å²	37.2	4%	0.035	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	42.1	-172.5	-60.5	-78.1	0	0	0	114.1	L254 V301 L310 V312 K313 W331 E339 L341 C358 K359 P360 P361	L254-Y363 VanDerWaalsContact CD1-OH 3.24Å; L254-Y363 WeakPolarHBondContact CD1-OH 3.17Å; V301-Y363 HydrophobicContact CB-CD2 4.07Å; V301-Y363 HydrophobicContact CB-CE2 3.98Å; V301-Y363 HydrophobicContact CG1-CD2 4.38Å; V301-Y363 HydrophobicContact CG1-CE2 3.78Å; V301-Y363 HydrophobicContact CG2-CD1 4.16Å; V301-Y363 HydrophobicContact CG2-CD2 4.05Å; V301-Y363 HydrophobicContact CG2-CE1 4.2Å; V301-Y363 HydrophobicContact CG2-CE2 4.1Å; V301-Y363 HydrophobicContact CG2-CG 4.09Å; L310-Y363 HydrophobicContact CD1-CD2 4.42Å; V312-Y363 WeakPolarHBondContact CA-O 3.48Å; V312-Y363 HydrophobicContact CG2-CG 4.43Å; K313-Y363 PolarHBondContact N-O 3.42Å; W331-Y363 HydrophobicContact CH2-CE1 4.46Å; W331-Y363 HydrophobicContact CZ3-CE1 4.18Å; E339-Y363 PolarHBondContact O-OH 2.86Å; E339-Y363 VanDerWaalsContact O-OH 3.09Å; L341-Y363 HydrophobicContact CD1-CD1 4.18Å; L341-Y363 HydrophobicContact CD1-CE1 4.46Å; L341-Y363 HydrophobicContact CG-CD1 4.43Å; L341-Y363 HydrophobicContact CG-CE1 4.39Å; C358-Y363 HydrophobicContact CB-CD1 4.48Å; K359-Y363 VanDerWaalsContact O-CA 3.27Å; K359-Y363 WeakPolarHBondContact O-CA 3.08Å; K359-Y363 PolarHBondContact O-N 2.6Å; P360-Y363 HydrophobicContact CB-CE1 4.25Å; P361-Y363 WeakPolarHBondContact O-CD2 3.48Å; P361-Y363 WeakPolarHBondContact O-CE2 3.47Å
364	E	95.3	Very high	94.6	Very high	83 Å²	83	44.1 Å²	44.1	39%	0.388	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	121	167.6	-56.5	-174.9	129.3	0	0	107.6	K313 K359 K362	K313-E364 HydrophobicContact CD-CG 4.08Å; K313-E364 IonicContact NZ-OE1 3.64Å; K313-E364 PolarHBondContact NZ-OE1 3.36Å; K359-E364 PolarHBondContact N-O 3.22Å; K362-E364 VanDerWaalsContact C-N 3.27Å; K362-E364 HydrophobicContact CB-CG 3.82Å; K362-E364 HydrophobicContact CD-CG 4.42Å; K362-E364 WeakPolarHBondContact CD-OE2 3.27Å; K362-E364 IonicContact NZ-OE2 3.6Å; K362-E364 PolarHBondContact O-N 2.95Å
365	C	95.9	Very high	94.2	Very high	11 Å²	11	46.3 Å²	46.3	7%	0.074	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	139.2	-175.3	-49.9	0	0	0	0	112.3	V312 K313 A356 Y357 C358	V312-C365 WeakPolarHBondContact CG1-SG 3.48Å; K313-C365 WeakPolarHBondContact O-CB 3.2Å; K313-C365 PolarHBondContact O-N 2.83Å; K313-C365 PolarHBondContact O-SG 3.48Å; A356-C365 HydrophobicContact CB-CB 4.02Å; Y357-C365 WeakPolarHBondContact O-CA 3.33Å; C358-C365 HydrophobicContact CB-CB 3.97Å; C358-C365 WeakPolarHBondContact CB-SG 3.49Å; C358-C365 WeakPolarHBondContact SG-CB 3.11Å; C358-C365 CovalentContact SG-SG 2.03Å; C358-C365 PolarHBondContact SG-SG 2.84Å
366	I	94.8	Very high	93.8	Very high	56 Å²	56	46.8 Å²	46.8	29%	0.287	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	147.9	163.9	53.2	164.4	0	0	0	109.4	A356 Y357 N368	A356-I366 CarbonylContact C-O 3.59Å; A356-I366 VanDerWaalsContact CA-O 3.26Å; A356-I366 WeakPolarHBondContact CA-O 3.28Å; Y357-I366 HydrophobicContact CD1-CD1 4.34Å; Y357-I366 HydrophobicContact CD1-CG1 4.32Å; Y357-I366 PolarHBondContact N-O 3.41Å; Y357-I366 WeakPolarHBondContact O-CG1 3.28Å; Y357-I366 PolarHBondContact O-N 2.87Å; I366-N368 PolarHBondContact O-N 3.5Å
367	L	95.7	Very high	93.6	Very high	14 Å²	14	47.4 Å²	47.4	7%	0.073	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	131.9	168	-176	63.4	0	0	0	108.6	P315 E317 F354 N370	P315-L367 HydrophobicContact CB-CB 4.3Å; P315-L367 HydrophobicContact CG-CB 4.44Å; E317-L367 HydrophobicContact CG-CD2 4.3Å; E317-L367 WeakPolarHBondContact OE1-CD2 3.2Å; F354-L367 HydrophobicContact CB-CD1 3.86Å; F354-L367 HydrophobicContact CD1-CD1 4.06Å; F354-L367 HydrophobicContact CG-CD1 4.48Å; L367-N370 HydrophobicContact CD1-CB 4.44Å; L367-N370 HydrophobicContact CD2-CB 4.31Å
368	N	96.1	Very high	93.6	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-46.3	171	174.7	-102.8	0	0	0	110.7	I355 I366 Y393 T419 N426 G427	I355-N368 PolarHBondContact O-N 2.9Å; I366-N368 PolarHBondContact O-N 3.5Å; N368-Y393 WeakPolarHBondContact OD1-CE1 3.21Å; N368-Y393 PolarHBondContact OD1-OH 2.85Å; N368-T419 PolarHBondContact ND2-O 3.35Å; N368-T419 PolarHBondContact OD1-O 2.84Å; N368-N426 CarbonylContact O-C 3.59Å; N368-N426 WeakPolarHBondContact O-CA 3.09Å; N368-N426 WeakPolarHBondContact O-CB 3.38Å; N368-G427 WeakPolarHBondContact ND2-CA 3.26Å; N368-G427 PolarHBondContact ND2-N 2.85Å; N368-G427 PolarHBondContact O-N 3.22Å
369	Y	96.2	Very high	93.5	Very high	35 Å²	35	47 Å²	47	14%	0.137	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	143.8	-179	-177.2	-97.9	0	0	0	111.1	I355 Q371 L397 V418 A429	I355-Y369 HydrophobicContact CD1-CD1 4.02Å; I355-Y369 PolarHBondContact N-O 3.31Å; I355-Y369 PolarHBondContact O-N 2.91Å; Y369-Q371 HydrophobicContact CE1-CB 4.16Å; Y369-Q371 PolarHBondContact OH-OE1 3.44Å; Y369-L397 HydrophobicContact CD1-CD1 4.36Å; Y369-L397 HydrophobicContact CE1-CD1 3.54Å; Y369-L397 HydrophobicContact CE1-CD2 3.99Å; Y369-L397 HydrophobicContact CE1-CG 4.46Å; Y369-V418 HydrophobicContact CD2-CG1 4.31Å; Y369-V418 HydrophobicContact CG-CG1 4.35Å; Y369-A429 HydrophobicContact CD2-CB 4.43Å; Y369-A429 HydrophobicContact CE2-CB 3.82Å
370	N	95.7	Very high	93.6	Very high	61 Å²	61	43.4 Å²	43.4	33%	0.326	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.4	173.8	62.2	-21.4	0	0	0	111.9	V353 F354 L367	V353-N370 CarbonylContact O-C 3.58Å; V353-N370 VanDerWaalsContact O-CA 3.22Å; V353-N370 WeakPolarHBondContact O-CA 3.36Å; F354-N370 HydrophobicContact CD1-CB 4.4Å; L367-N370 HydrophobicContact CD1-CB 4.44Å; L367-N370 HydrophobicContact CD2-CB 4.31Å
371	Q	94.9	Very high	93.6	Very high	30 Å²	30	43.8 Å²	43.8	14%	0.14	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	129	173.6	-179.9	61.6	66.5	0	0	109	S352 V353 Y369 Y373 Y383	S352-Q371 WeakPolarHBondContact CA-O 3.29Å; V353-Q371 PolarHBondContact N-O 3.47Å; V353-Q371 PolarHBondContact O-N 2.7Å; Y369-Q371 HydrophobicContact CE1-CB 4.16Å; Y369-Q371 PolarHBondContact OH-OE1 3.44Å; Q371-Y373 HydrophobicContact CG-CD2 4.48Å; Q371-Y373 HydrophobicContact CG-CE1 4.1Å; Q371-Y373 HydrophobicContact CG-CE2 3.7Å; Q371-Y373 VanDerWaalsContact CG-CZ 3.49Å; Q371-Y373 WeakPolarHBondContact CG-OH 3.41Å; Q371-Y383 WeakPolarHBondContact CB-OH 3.45Å; Q371-Y383 WeakPolarHBondContact CG-OH 3.34Å
372	N	95.2	Very high	93.8	Very high	78 Å²	78	40.8 Å²	40.8	42%	0.417	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	155.7	176.9	-67.9	-45	0	0	0	110.8	N351 S352	N351-N372 CarbonylContact O-C 3.52Å; N351-N372 WeakPolarHBondContact O-CA 3.13Å; S352-N372 WeakPolarHBondContact CB-OD1 3.5Å; S352-N372 PolarHBondContact OG-OD1 2.9Å
373	Y	92.5	Very high	93.9	Very high	7 Å²	7	34.4 Å²	34.4	3%	0.027	18%	0.177	C	C	.	.			trans	-140.1	135.6	179.7	-56.2	-83.2	0	0	0	111.1	N351 Q371 L376 A378 Y383 P398	N351-Y373 PolarHBondContact ND2-O 2.83Å; N351-Y373 WeakPolarHBondContact O-CD2 3.45Å; N351-Y373 PolarHBondContact O-N 3.43Å; Q371-Y373 HydrophobicContact CG-CD2 4.48Å; Q371-Y373 HydrophobicContact CG-CE1 4.1Å; Q371-Y373 HydrophobicContact CG-CE2 3.7Å; Q371-Y373 VanDerWaalsContact CG-CZ 3.49Å; Q371-Y373 WeakPolarHBondContact CG-OH 3.41Å; Y373-L376 VanDerWaalsContact CB-O 3.29Å; Y373-L376 WeakPolarHBondContact CB-O 3.34Å; Y373-L376 HydrophobicContact CD1-CB 3.67Å; Y373-L376 HydrophobicContact CD1-CD1 4.37Å; Y373-L376 HydrophobicContact CE1-CB 4.45Å; Y373-L376 HydrophobicContact CG-CB 4.07Å; Y373-A378 HydrophobicContact CE2-CB 3.95Å; Y373-Y383 PolarHBondContact OH-OH 2.91Å; Y373-P398 HydrophobicContact CE1-CG 3.58Å; Y373-P398 WeakPolarHBondContact OH-CD 3.31Å; Y373-P398 WeakPolarHBondContact OH-CG 3.35Å
374	D	88.7	Confident	93.7	Very high	147 Å²	147	36.8 Å²	36.8	79%	0.786	19%	0.187	S	C	*	.	S	Bend	trans	-103.6	-31.3	175.1	-56.6	-58.6	0	0	0	111.8
375	D	88.7	Confident	93.5	Very high	66 Å²	66	32.9 Å²	32.9	35%	0.353	17%	0.169	S	C	.	.	S	Bend	trans	-113.4	-1.5	-171.6	66.7	-40.7	0	0	0	113.9	Y619	D375-Y619 VanDerWaalsContact C-CD1 3.48Å; D375-Y619 VanDerWaalsContact O-CD1 3.29Å; D375-Y619 WeakPolarHBondContact O-CD1 3.48Å
376	L	89.4	Confident	92.8	Very high	11 Å²	11	37.9 Å²	37.9	6%	0.058	19%	0.186	C	C	.	.			trans	-146.2	176.7	-163.6	-90.5	165.8	0	0	0	111.4	Y373 R411	Y373-L376 VanDerWaalsContact CB-O 3.29Å; Y373-L376 WeakPolarHBondContact CB-O 3.34Å; Y373-L376 HydrophobicContact CD1-CB 3.67Å; Y373-L376 HydrophobicContact CD1-CD1 4.37Å; Y373-L376 HydrophobicContact CE1-CB 4.45Å; Y373-L376 HydrophobicContact CG-CB 4.07Å; L376-R411 HydrophobicContact CD1-CB 4.36Å; L376-R411 HydrophobicContact CD1-CG 4.29Å
377	W	93.8	Very high	92.4	Very high	13 Å²	13	37.5 Å²	37.5	5%	0.049	18%	0.182	C	C	.	.			trans	-129.1	165.3	174.1	64.2	90.6	0	0	0	110.6	Q350 E379 P574 N575 T615 V618 Y619 R710 Y711	Q350-W377 CarbonylContact O-C 3.47Å; W377-E379 VanDerWaalsContact NE1-CD 3.28Å; W377-E379 PolarHBondContact NE1-OE1 3.3Å; W377-P574 HydrophobicContact CZ2-CB 4.44Å; W377-N575 HydrophobicContact CZ2-CB 4.46Å; W377-T615 VanDerWaalsContact CH2-O 3.3Å; W377-T615 WeakPolarHBondContact CH2-O 3.39Å; W377-V618 HydrophobicContact CH2-CG2 4.3Å; W377-Y619 AromaticContact CE3-CD2 3.67Å; W377-Y619 HydrophobicContact CE3-CD2 3.67Å; W377-Y619 HydrophobicContact CE3-CE2 4.39Å; W377-Y619 HydrophobicContact CE3-CG 4.3Å; W377-Y619 HydrophobicContact CZ3-CD2 4.12Å; W377-Y619 HydrophobicContact CZ3-CG 4.45Å; W377-R710 HydrophobicContact CB-CG 3.86Å; W377-R710 HydrophobicContact CG-CG 3.75Å; W377-Y711 AromaticContact CD2-CD1 3.91Å; W377-Y711 HydrophobicContact CD2-CD1 3.91Å; W377-Y711 HydrophobicContact CD2-CE1 4.09Å; W377-Y711 AromaticContact CE2-CD1 3.63Å; W377-Y711 AromaticContact CE2-CE1 3.42Å; W377-Y711 VanDerWaalsContact CE2-CE1 3.42Å; W377-Y711 HydrophobicContact CE3-CD1 4.23Å; W377-Y711 HydrophobicContact CG-CD1 4.48Å; W377-Y711 HydrophobicContact CG-CE1 4.48Å; W377-Y711 AromaticContact CH2-CD1 4Å; W377-Y711 HydrophobicContact CH2-CD1 4Å; W377-Y711 HydrophobicContact CH2-CE1 4.31Å; W377-Y711 AromaticContact CZ2-CD1 3.7Å; W377-Y711 HydrophobicContact CZ2-CD1 3.7Å; W377-Y711 AromaticContact CZ2-CE1 3.56Å; W377-Y711 HydrophobicContact CZ2-CE1 3.56Å; W377-Y711 HydrophobicContact CZ3-CD1 4.26Å; W377-Y711 AromaticContact NE1-CE1 3.44Å
378	A	95.3	Very high	92.1	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.008	18%	0.18	C	C	.	.			trans	-90.6	132.8	171	0	0	0	0	0	110.7	F327 Q350 V353 Y373 Y383	F327-A378 HydrophobicContact CE2-CB 3.91Å; F327-A378 HydrophobicContact CZ-CB 4.49Å; Q350-A378 VanDerWaalsContact O-CB 3.27Å; Q350-A378 WeakPolarHBondContact O-CB 3.4Å; Q350-A378 PolarHBondContact O-N 3.5Å; V353-A378 HydrophobicContact CG2-CB 3.31Å; Y373-A378 HydrophobicContact CE2-CB 3.95Å; A378-Y383 HydrophobicContact CB-CD2 4.2Å; A378-Y383 HydrophobicContact CB-CE2 3.66Å
379	E	92.6	Very high	91.5	Very high	20 Å²	20	38.7 Å²	38.7	9%	0.093	19%	0.189	C	C	.	.			trans	-94.9	115.2	172.6	-72.6	-71.4	-172.4	0	0	109.9	W377 P381 H382 Y383 N575	W377-E379 VanDerWaalsContact NE1-CD 3.28Å; W377-E379 PolarHBondContact NE1-OE1 3.3Å; E379-P381 VanDerWaalsContact C-N 3.3Å; E379-P381 VanDerWaalsContact O-N 3.17Å; E379-H382 PolarHBondContact O-N 3.23Å; E379-Y383 WeakPolarHBondContact O-CD2 3.43Å; E379-N575 WeakPolarHBondContact CG-ND2 3.29Å; E379-N575 VanDerWaalsContact OE1-CB 3.23Å; E379-N575 WeakPolarHBondContact OE1-CB 3.24Å; E379-N575 PolarHBondContact OE1-ND2 2.9Å
380	P	95	Very high	90.9	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.026	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-50.2	-40.3	-178.1	-21.5	27.6	0	0	0	114.5	V239 F327 H382 Y383 K384	V239-P380 VanDerWaalsContact O-CB 3.27Å; V239-P380 WeakPolarHBondContact O-CB 3.43Å; F327-P380 HydrophobicContact CD1-CB 4.05Å; F327-P380 HydrophobicContact CD1-CG 4.18Å; F327-P380 HydrophobicContact CD2-CB 4.21Å; F327-P380 HydrophobicContact CE1-CB 4.15Å; F327-P380 HydrophobicContact CE1-CG 3.77Å; F327-P380 HydrophobicContact CE2-CB 4.31Å; F327-P380 HydrophobicContact CE2-CG 4.16Å; F327-P380 HydrophobicContact CG-CB 4.06Å; F327-P380 HydrophobicContact CZ-CB 4.26Å; F327-P380 HydrophobicContact CZ-CG 3.74Å; P380-H382 VanDerWaalsContact C-N 3.29Å; P380-H382 PolarHBondContact O-N 3.28Å; P380-Y383 PolarHBondContact O-N 2.93Å; P380-Y383 VanDerWaalsContact O-N 3.12Å; P380-K384 PolarHBondContact O-N 3.22Å
381	P	91.2	Very high	90.6	Very high	40 Å²	40	42.6 Å²	42.6	26%	0.26	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-61.6	-28.6	178	-26.2	36.8	0	0	0	115.2	E241 E379 Y383 K384	E241-P381 HydrophobicContact CG-CG 4.25Å; E379-P381 VanDerWaalsContact C-N 3.3Å; E379-P381 VanDerWaalsContact O-N 3.17Å; P381-Y383 VanDerWaalsContact C-N 3.34Å; P381-K384 WeakPolarHBondContact O-CB 3.29Å; P381-K384 PolarHBondContact O-N 3.44Å
382	H	92.9	Very high	90.5	Very high	31 Å²	31	42.3 Å²	42.3	14%	0.144	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-72	-32.5	177.4	-68.1	-174.8	0	0	0	111.4	E379 P380 K384 I396 S413	E379-H382 PolarHBondContact O-N 3.23Å; P380-H382 VanDerWaalsContact C-N 3.29Å; P380-H382 PolarHBondContact O-N 3.28Å; H382-K384 VanDerWaalsContact C-N 3.31Å; H382-I396 HydrophobicContact CB-CB 3.9Å; H382-I396 HydrophobicContact CB-CG2 4.08Å; H382-I396 WeakPolarHBondContact O-CB 3.2Å; H382-I396 PolarHBondContact O-N 2.91Å; H382-I396 VanDerWaalsContact O-N 3.11Å; H382-S413 PolarHBondContact CE1-OG 2.81Å; H382-S413 PolarHBondContact ND1-OG 2.67Å
383	Y	95.2	Very high	90.4	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.012	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-84.9	-1	178	-73.8	-76.6	0	0	0	114.3	F327 V344 V353 I355 Q371 Y373 A378 E379 P380 P381 I385 V395 L397	F327-Y383 HydrophobicContact CD2-CD2 4.15Å; F327-Y383 HydrophobicContact CD2-CG 4.21Å; F327-Y383 HydrophobicContact CE2-CD2 4.27Å; V344-Y383 HydrophobicContact CG1-CD1 4.23Å; V344-Y383 HydrophobicContact CG1-CG 4.43Å; V353-Y383 HydrophobicContact CB-CE1 4.04Å; V353-Y383 HydrophobicContact CG1-CD1 3.64Å; V353-Y383 HydrophobicContact CG1-CD2 4.42Å; V353-Y383 HydrophobicContact CG1-CE1 3.62Å; V353-Y383 HydrophobicContact CG1-CE2 4.42Å; V353-Y383 HydrophobicContact CG1-CG 4.04Å; V353-Y383 HydrophobicContact CG2-CD2 4.41Å; V353-Y383 HydrophobicContact CG2-CE1 4.34Å; V353-Y383 HydrophobicContact CG2-CE2 3.95Å; I355-Y383 HydrophobicContact CD1-CD1 4.46Å; Q371-Y383 WeakPolarHBondContact CB-OH 3.45Å; Q371-Y383 WeakPolarHBondContact CG-OH 3.34Å; Y373-Y383 PolarHBondContact OH-OH 2.91Å; A378-Y383 HydrophobicContact CB-CD2 4.2Å; A378-Y383 HydrophobicContact CB-CE2 3.66Å; E379-Y383 WeakPolarHBondContact O-CD2 3.43Å; P380-Y383 PolarHBondContact O-N 2.93Å; P380-Y383 VanDerWaalsContact O-N 3.12Å; P381-Y383 VanDerWaalsContact C-N 3.34Å; Y383-I385 VanDerWaalsContact C-N 3.31Å; Y383-I385 PolarHBondContact O-N 3.1Å; Y383-V395 HydrophobicContact CD1-CG2 4.23Å; Y383-L397 HydrophobicContact CD1-CD2 4.4Å; Y383-L397 HydrophobicContact CE1-CD2 3.54Å
384	K	92.2	Very high	90.5	Very high	58 Å²	58	38.4 Å²	38.4	25%	0.252	19%	0.192	S	C	.	.			trans	-74.7	82.3	176.5	-164.4	162	-173.2	171.9	0	110.6	L240 P380 P381 H382	L240-K384 PolarHBondContact O-NZ 3.23Å; P380-K384 PolarHBondContact O-N 3.22Å; P381-K384 WeakPolarHBondContact O-CB 3.29Å; P381-K384 PolarHBondContact O-N 3.44Å; H382-K384 VanDerWaalsContact C-N 3.31Å
385	I	92.2	Very high	90.8	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	16%	0.155	C	C	.	.			trans	-52.2	143.9	171.7	-60.4	169	0	0	0	108.4	N330 L342 V344 I355 Y383 T388 Y393 V395	N330-I385 HydrophobicContact CB-CG2 4.32Å; N330-I385 VanDerWaalsContact CG-O 3.29Å; N330-I385 PolarHBondContact ND2-O 3.09Å; N330-I385 WeakPolarHBondContact OD1-CB 3.37Å; N330-I385 PolarHBondContact OD1-O 2.67Å; L342-I385 HydrophobicContact CB-CD1 4.32Å; L342-I385 HydrophobicContact CD1-CD1 4.19Å; L342-I385 HydrophobicContact CD1-CG2 4.49Å; V344-I385 HydrophobicContact CG2-CD1 3.76Å; V344-I385 HydrophobicContact CG2-CG1 4.37Å; I355-I385 HydrophobicContact CG2-CD1 3.99Å; Y383-I385 VanDerWaalsContact C-N 3.31Å; Y383-I385 PolarHBondContact O-N 3.1Å; I385-T388 HydrophobicContact CG2-CG2 4.03Å; I385-Y393 HydrophobicContact CD1-CD2 3.65Å; I385-Y393 HydrophobicContact CD1-CE2 3.77Å; I385-Y393 HydrophobicContact CD1-CG 4.39Å; I385-Y393 HydrophobicContact CG1-CD2 4.07Å; I385-Y393 HydrophobicContact CG1-CE2 4.43Å; I385-Y393 HydrophobicContact CG2-CD2 4.46Å; I385-V395 HydrophobicContact CG1-CB 4.16Å; I385-V395 HydrophobicContact CG1-CG2 4.24Å
386	R	80	Confident	91.1	Very high	116 Å²	116	28.5 Å²	28.5	44%	0.438	14%	0.139	S	C	.	.			trans	-137.5	-30.8	178.8	-68.8	-175.4	-177.1	-143.2	-0.6	113.8
387	F	87.4	Confident	91.3	Very high	48 Å²	48	28 Å²	28	21%	0.211	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123	-173.2	-56	-71.9	0	0	0	109.4	Y394 I442 G444 H445	F387-Y394 HydrophobicContact CB-CD2 4.07Å; F387-Y394 PolarHBondContact O-N 3.12Å; F387-I442 HydrophobicContact CD2-CG2 3.68Å; F387-I442 HydrophobicContact CE2-CG2 3.86Å; F387-G444 VanDerWaalsContact CZ-CA 3.48Å; F387-H445 HydrophobicContact CB-CB 3.67Å; F387-H445 HydrophobicContact CD1-CB 3.59Å; F387-H445 HydrophobicContact CD2-CB 4.17Å; F387-H445 HydrophobicContact CE1-CB 4.29Å; F387-H445 HydrophobicContact CG-CB 3.51Å
388	T	89.1	Confident	91.3	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	159.1	-178.3	60.3	0	0	0	0	110.1	Y250 W331 M332 Q333 L342 I385	Y250-T388 PolarHBondContact OH-OG1 3.42Å; W331-T388 PolarHBondContact O-OG1 2.97Å; M332-T388 HydrophobicContact SD-CG2 3.88Å; Q333-T388 PolarHBondContact N-OG1 3.48Å; L342-T388 HydrophobicContact CD1-CG2 3.95Å; I385-T388 HydrophobicContact CG2-CG2 4.03Å
389	D	83.5	Confident	91.2	Very high	40 Å²	40	30 Å²	30	21%	0.214	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	161.9	175.6	-170.3	34.6	0	0	0	108	M332 S391 K392 K447	M332-D389 WeakPolarHBondContact CE-O 3.49Å; D389-S391 PolarHBondContact O-N 3.1Å; D389-K392 HydrophobicContact CB-CG 3.79Å; D389-K392 PolarHBondContact N-O 2.88Å; D389-K392 PolarHBondContact O-N 2.78Å; D389-K392 WeakPolarHBondContact OD2-CE 3.35Å; D389-K447 WeakPolarHBondContact OD1-CE 2.95Å; D389-K447 IonicContact OD1-NZ 3.88Å; D389-K447 PolarHBondContact OD1-NZ 3.29Å
390	E	84.4	Confident	91.1	Very high	108 Å²	108	32.7 Å²	32.7	51%	0.505	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-25.1	-159	-56.9	-166.7	130.8	0	0	115.6	S335	S335-E390 WeakPolarHBondContact CB-OE1 3.36Å; S335-E390 PolarHBondContact N-OE1 2.81Å; S335-E390 PolarHBondContact OG-OE1 3.37Å
391	S	89.3	Confident	90.9	Very high	71 Å²	71	33.5 Å²	33.5	50%	0.497	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	7.5	-178.9	58.2	0	0	0	0	114.6	D389 T419 I420	D389-S391 PolarHBondContact O-N 3.1Å; S391-T419 CarbonylContact O-C 3.56Å; S391-I420 PolarHBondContact O-N 3.15Å
392	K	91.8	Very high	90.8	Very high	24 Å²	24	36.2 Å²	36.2	10%	0.104	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	161	-171.3	62.1	176.6	-176.4	170.4	0	114.1	D389 Y394 Q417 V418 N450	D389-K392 HydrophobicContact CB-CG 3.79Å; D389-K392 PolarHBondContact N-O 2.88Å; D389-K392 PolarHBondContact O-N 2.78Å; D389-K392 WeakPolarHBondContact OD2-CE 3.35Å; K392-Y394 VanDerWaalsContact CE-OH 3.31Å; K392-Y394 WeakPolarHBondContact CE-OH 3.38Å; K392-Y394 PolarHBondContact NZ-OH 2.8Å; K392-Q417 HydrophobicContact CB-CG 4.34Å; K392-Q417 HydrophobicContact CD-CG 4.01Å; K392-Q417 VanDerWaalsContact CD-OE1 3.27Å; K392-V418 CarbonylContact C-O 3.5Å; K392-V418 VanDerWaalsContact CA-O 3.22Å; K392-V418 WeakPolarHBondContact CA-O 3.48Å; K392-V418 WeakPolarHBondContact CB-O 3.45Å; K392-N450 PolarHBondContact NZ-OD1 2.67Å
393	Y	94.2	Very high	90.3	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	165.2	172	62.4	-87.2	0	0	0	111.8	L342 I355 N368 I385 V395 Q417 V418 I420	L342-Y393 HydrophobicContact CD1-CD1 3.44Å; L342-Y393 VanDerWaalsContact CD1-CD1 3.44Å; L342-Y393 HydrophobicContact CD1-CD2 4.23Å; L342-Y393 HydrophobicContact CD1-CE1 4.13Å; L342-Y393 HydrophobicContact CD1-CG 3.49Å; L342-Y393 VanDerWaalsContact CD1-CG 3.49Å; L342-Y393 HydrophobicContact CD2-CD1 4.15Å; L342-Y393 HydrophobicContact CD2-CE1 4.08Å; L342-Y393 HydrophobicContact CG-CD1 4.47Å; I355-Y393 HydrophobicContact CD1-CE2 3.85Å; I355-Y393 WeakPolarHBondContact CD1-OH 3.37Å; I355-Y393 HydrophobicContact CG2-CE1 4.4Å; I355-Y393 HydrophobicContact CG2-CE2 4.07Å; I355-Y393 VanDerWaalsContact CG2-OH 3.3Å; I355-Y393 WeakPolarHBondContact CG2-OH 3.12Å; N368-Y393 WeakPolarHBondContact OD1-CE1 3.21Å; N368-Y393 PolarHBondContact OD1-OH 2.85Å; I385-Y393 HydrophobicContact CD1-CD2 3.65Å; I385-Y393 HydrophobicContact CD1-CE2 3.77Å; I385-Y393 HydrophobicContact CD1-CG 4.39Å; I385-Y393 HydrophobicContact CG1-CD2 4.07Å; I385-Y393 HydrophobicContact CG1-CE2 4.43Å; I385-Y393 HydrophobicContact CG2-CD2 4.46Å; Y393-V395 HydrophobicContact CD2-CB 4.27Å; Y393-V395 HydrophobicContact CD2-CG1 4.13Å; Y393-V395 HydrophobicContact CE2-CB 4.2Å; Y393-V395 HydrophobicContact CE2-CG1 3.76Å; Y393-Q417 WeakPolarHBondContact O-CA 3.3Å; Y393-V418 HydrophobicContact CD1-CB 4.35Å; Y393-V418 HydrophobicContact CD2-CB 4.38Å; Y393-V418 HydrophobicContact CE1-CB 3.79Å; Y393-V418 HydrophobicContact CE1-CG1 3.98Å; Y393-V418 HydrophobicContact CE2-CB 3.81Å; Y393-V418 HydrophobicContact CE2-CG1 4.49Å; Y393-V418 HydrophobicContact CE2-CG2 3.96Å; Y393-V418 VanDerWaalsContact CZ-CB 3.49Å; Y393-V418 PolarHBondContact N-O 2.7Å; Y393-V418 PolarHBondContact O-N 3.41Å; Y393-V418 WeakPolarHBondContact OH-CG1 3.42Å; Y393-I420 HydrophobicContact CD1-CD1 4.03Å; Y393-I420 HydrophobicContact CD1-CG1 4.08Å; Y393-I420 HydrophobicContact CE1-CD1 4.43Å; Y393-I420 HydrophobicContact CE1-CG1 4.14Å
394	Y	93.8	Very high	89.4	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.4	178.1	-50.2	-81	0	0	0	111	F387 K392 A416 Q417 L432 H445 V452	F387-Y394 HydrophobicContact CB-CD2 4.07Å; F387-Y394 PolarHBondContact O-N 3.12Å; K392-Y394 VanDerWaalsContact CE-OH 3.31Å; K392-Y394 WeakPolarHBondContact CE-OH 3.38Å; K392-Y394 PolarHBondContact NZ-OH 2.8Å; Y394-A416 WeakPolarHBondContact CA-O 3.27Å; Y394-Q417 HydrophobicContact CD1-CB 3.87Å; Y394-Q417 HydrophobicContact CD1-CG 4.05Å; Y394-Q417 HydrophobicContact CE1-CB 3.81Å; Y394-Q417 HydrophobicContact CE1-CG 3.64Å; Y394-L432 HydrophobicContact CD1-CD1 3.97Å; Y394-L432 HydrophobicContact CE1-CD1 3.86Å; Y394-H445 AromaticContact CE2-CD2 3.63Å; Y394-H445 AromaticContact CE2-CE1 3.66Å; Y394-H445 AromaticContact CE2-NE2 3.34Å; Y394-H445 VanDerWaalsContact CE2-NE2 3.34Å; Y394-H445 WeakPolarHBondContact CE2-NE2 3.46Å; Y394-H445 AromaticContact CZ-NE2 3.66Å; Y394-H445 PolarHBondContact OH-NE2 3.31Å; Y394-V452 HydrophobicContact CD1-CG2 3.63Å; Y394-V452 HydrophobicContact CD2-CG2 4.06Å; Y394-V452 HydrophobicContact CE1-CG2 3.56Å; Y394-V452 HydrophobicContact CE2-CG2 3.99Å; Y394-V452 HydrophobicContact CG-CG2 3.86Å
395	V	95.3	Very high	88.5	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	155.7	-175.3	58	0	0	0	0	109.2	I355 Y383 I385 Y393 L397 A416 V418	I355-V395 HydrophobicContact CD1-CG1 4.44Å; I355-V395 HydrophobicContact CD1-CG2 4.38Å; Y383-V395 HydrophobicContact CD1-CG2 4.23Å; I385-V395 HydrophobicContact CG1-CB 4.16Å; I385-V395 HydrophobicContact CG1-CG2 4.24Å; Y393-V395 HydrophobicContact CD2-CB 4.27Å; Y393-V395 HydrophobicContact CD2-CG1 4.13Å; Y393-V395 HydrophobicContact CE2-CB 4.2Å; Y393-V395 HydrophobicContact CE2-CG1 3.76Å; V395-L397 HydrophobicContact CG1-CD1 4.14Å; V395-L397 HydrophobicContact CG1-CD2 4.42Å; V395-L397 HydrophobicContact CG1-CG 3.97Å; V395-L397 HydrophobicContact CG2-CD2 4.46Å; V395-A416 HydrophobicContact CG1-CB 4.46Å; V395-A416 PolarHBondContact N-O 3.01Å; V395-A416 VanDerWaalsContact N-O 3.08Å; V395-A416 PolarHBondContact O-N 3.5Å; V395-V418 HydrophobicContact CG1-CG2 3.88Å
396	I	94.3	Very high	87.5	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	123	173.4	-56.7	175.5	0	0	0	108.1	H382 H414 V439 S440 I442	H382-I396 HydrophobicContact CB-CB 3.9Å; H382-I396 HydrophobicContact CB-CG2 4.08Å; H382-I396 WeakPolarHBondContact O-CB 3.2Å; H382-I396 PolarHBondContact O-N 2.91Å; H382-I396 VanDerWaalsContact O-N 3.11Å; I396-H414 WeakPolarHBondContact CA-O 3.39Å; I396-V439 HydrophobicContact CD1-CG1 3.76Å; I396-V439 HydrophobicContact CG1-CG1 4.04Å; I396-S440 WeakPolarHBondContact CD1-O 3.47Å; I396-I442 HydrophobicContact CD1-CG1 4.21Å; I396-I442 HydrophobicContact CG1-CD1 4Å; I396-I442 HydrophobicContact CG1-CG1 3.82Å
397	L	94.6	Very high	87.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.4	177.2	-65.7	177.9	0	0	0	110.3	Y369 Y383 V395 Q399 H414 A416 V418 A429 F431	Y369-L397 HydrophobicContact CD1-CD1 4.36Å; Y369-L397 HydrophobicContact CE1-CD1 3.54Å; Y369-L397 HydrophobicContact CE1-CD2 3.99Å; Y369-L397 HydrophobicContact CE1-CG 4.46Å; Y383-L397 HydrophobicContact CD1-CD2 4.4Å; Y383-L397 HydrophobicContact CE1-CD2 3.54Å; V395-L397 HydrophobicContact CG1-CD1 4.14Å; V395-L397 HydrophobicContact CG1-CD2 4.42Å; V395-L397 HydrophobicContact CG1-CG 3.97Å; V395-L397 HydrophobicContact CG2-CD2 4.46Å; L397-Q399 PolarHBondContact O-N 2.79Å; L397-H414 PolarHBondContact N-O 3.06Å; L397-H414 PolarHBondContact O-N 2.8Å; L397-A416 HydrophobicContact CB-CB 4.17Å; L397-A416 HydrophobicContact CD1-CB 3.67Å; L397-A416 HydrophobicContact CG-CB 4.04Å; L397-V418 HydrophobicContact CD1-CG2 4.37Å; L397-A429 HydrophobicContact CD1-CB 4.36Å; L397-F431 HydrophobicContact CB-CE1 3.82Å; L397-F431 HydrophobicContact CB-CZ 4.12Å; L397-F431 WeakPolarHBondContact O-CE1 3.37Å
398	P	93.3	Very high	87.5	Confident	17 Å²	17	49.7 Å²	49.7	11%	0.11	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	108.7	176.5	24.5	-25.2	0	0	0	112.2	Y373 R411 Y412	Y373-P398 HydrophobicContact CE1-CG 3.58Å; Y373-P398 WeakPolarHBondContact OH-CD 3.31Å; Y373-P398 WeakPolarHBondContact OH-CG 3.35Å; P398-R411 HydrophobicContact CB-CB 3.93Å; P398-Y412 CarbonylContact C-O 3.59Å; P398-Y412 WeakPolarHBondContact CA-O 3.15Å
399	Q	92.2	Very high	87.6	Confident	40 Å²	40	55.2 Å²	55.2	19%	0.187	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	139.9	171.5	-165.5	-174	-18.2	0	0	110.4	L397 V401 R411 Y412 F431 T433 H434	L397-Q399 PolarHBondContact O-N 2.79Å; Q399-V401 HydrophobicContact CB-CG2 4.46Å; Q399-V401 HydrophobicContact CG-CG2 4.47Å; Q399-R411 CarbonylContact O-C 3.49Å; Q399-R411 VanDerWaalsContact O-CA 3.24Å; Q399-R411 WeakPolarHBondContact O-CA 3.36Å; Q399-Y412 PolarHBondContact N-O 3.47Å; Q399-Y412 PolarHBondContact O-N 2.78Å; Q399-F431 HydrophobicContact CB-CD1 3.96Å; Q399-F431 HydrophobicContact CB-CD2 4.28Å; Q399-F431 HydrophobicContact CB-CE1 3.67Å; Q399-F431 HydrophobicContact CB-CE2 4.01Å; Q399-F431 HydrophobicContact CB-CG 4.26Å; Q399-F431 HydrophobicContact CB-CZ 3.7Å; Q399-F431 HydrophobicContact CG-CD1 4.32Å; Q399-F431 HydrophobicContact CG-CD2 3.82Å; Q399-F431 HydrophobicContact CG-CE1 4.28Å; Q399-F431 HydrophobicContact CG-CE2 3.78Å; Q399-F431 HydrophobicContact CG-CG 4.1Å; Q399-F431 HydrophobicContact CG-CZ 4.02Å; Q399-T433 PolarHBondContact OE1-O 2.94Å; Q399-H434 PolarHBondContact NE2-ND1 3.1Å; Q399-H434 PolarHBondContact OE1-ND1 3.25Å
400	L	92.2	Very high	88	Confident	76 Å²	76	55.4 Å²	55.4	40%	0.398	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	127.9	163.8	-77.3	164.8	0	0	0	110	E409 R411	L400-E409 HydrophobicContact CD2-CB 4.12Å; L400-R411 HydrophobicContact CD2-CG 3.64Å; L400-R411 HydrophobicContact CG-CG 4.12Å
401	V	90.7	Very high	88.5	Confident	22 Å²	22	53 Å²	53	13%	0.133	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	128.6	176.6	-173.5	0	0	0	0	108.3	Q399 E409 Y410 Y412	Q399-V401 HydrophobicContact CB-CG2 4.46Å; Q399-V401 HydrophobicContact CG-CG2 4.47Å; V401-E409 WeakPolarHBondContact O-CA 3.13Å; V401-Y410 PolarHBondContact N-O 2.89Å; V401-Y410 PolarHBondContact O-N 2.84Å; V401-Y412 HydrophobicContact CB-CD2 3.73Å; V401-Y412 HydrophobicContact CB-CE2 4.07Å; V401-Y412 HydrophobicContact CG2-CD2 3.95Å
402	K	89.1	Confident	88.7	Confident	97 Å²	97	49.7 Å²	49.7	42%	0.422	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	126.4	171.8	-165.3	-178.4	-175.2	-169.8	0	109.6	E407 E409	K402-E407 WeakPolarHBondContact CE-OE1 3.23Å; K402-E407 WeakPolarHBondContact CE-OE2 3.26Å; K402-E407 IonicContact NZ-OE1 3.79Å; K402-E407 PolarHBondContact NZ-OE1 2.77Å; K402-E407 IonicContact NZ-OE2 2.68Å; K402-E407 PolarHBondContact NZ-OE2 3.27Å; K402-E409 HydrophobicContact CB-CG 4.09Å; K402-E409 HydrophobicContact CG-CG 4.35Å
403	E	81.2	Confident	88.7	Confident	25 Å²	25	49 Å²	49	12%	0.117	26%	0.261	C	S	.	.			trans	-71.2	146.4	173.2	-88.1	-175.6	147.3	0	0	110.8	S405 S406 L408 Y410 Y412 K613	E403-S405 VanDerWaalsContact C-N 3.25Å; E403-S405 PolarHBondContact O-N 2.64Å; E403-S406 PolarHBondContact OE2-OG 2.81Å; E403-L408 PolarHBondContact N-O 2.94Å; E403-Y410 HydrophobicContact CG-CD2 4.09Å; E403-Y410 WeakPolarHBondContact OE2-CE2 3.14Å; E403-Y412 WeakPolarHBondContact CG-OH 2.99Å; E403-Y412 PolarHBondContact OE1-OH 3.44Å; E403-K613 IonicContact OE1-NZ 3.29Å; E403-K613 PolarHBondContact OE1-NZ 3.38Å; E403-K613 IonicContact OE2-NZ 2.7Å; E403-K613 PolarHBondContact OE2-NZ 3.29Å
404	S	75.8	Confident	88.7	Confident	132 Å²	132	49 Å²	49	92%	0.923	26%	0.261	S	S	*	.	S	Bend	trans	-75.1	-16.5	172.4	54.1	0	0	0	0	113.3
405	S	74	Confident	88.6	Confident	94 Å²	94	49 Å²	49	66%	0.657	26%	0.261	S	S	*	.	S	Bend	trans	-94.3	-16.1	-179	57.6	0	0	0	0	113.9	E403	E403-S405 VanDerWaalsContact C-N 3.25Å; E403-S405 PolarHBondContact O-N 2.64Å
406	S	71.5	Confident	88.5	Confident	34 Å²	34	49 Å²	49	24%	0.238	26%	0.261	C	S	.	.	S	Bend	trans	-150.8	137.9	173.8	70.9	0	0	0	0	109.8	E403 L408	E403-S406 PolarHBondContact OE2-OG 2.81Å; S406-L408 PolarHBondContact O-N 2.82Å
407	E	79.2	Confident	88.5	Confident	156 Å²	156	50.6 Å²	50.6	73%	0.729	27%	0.268	S	S	*	.	S	Bend	trans	-64.3	9.6	-178.7	-73	-76.1	100.9	0	0	114.7	K402	K402-E407 WeakPolarHBondContact CE-OE1 3.23Å; K402-E407 WeakPolarHBondContact CE-OE2 3.26Å; K402-E407 IonicContact NZ-OE1 3.79Å; K402-E407 PolarHBondContact NZ-OE1 2.77Å; K402-E407 IonicContact NZ-OE2 2.68Å; K402-E407 PolarHBondContact NZ-OE2 3.27Å
408	L	88.2	Confident	88.6	Confident	99 Å²	99	50.6 Å²	50.6	52%	0.518	27%	0.268	S	S	.	.			trans	-88.6	149	179	-59.5	173.6	0	0	0	111	E403 S406 Y410	E403-L408 PolarHBondContact N-O 2.94Å; S406-L408 PolarHBondContact O-N 2.82Å; L408-Y410 HydrophobicContact CB-CE2 3.91Å; L408-Y410 WeakPolarHBondContact CD1-OH 3.49Å
409	E	91.1	Very high	88.7	Confident	118 Å²	118	52.2 Å²	52.2	55%	0.551	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.1	172.7	-58.9	-171.9	153	0	0	110.5	L400 V401 K402	L400-E409 HydrophobicContact CD2-CB 4.12Å; V401-E409 WeakPolarHBondContact O-CA 3.13Å; K402-E409 HydrophobicContact CB-CG 4.09Å; K402-E409 HydrophobicContact CG-CG 4.35Å
410	Y	92.8	Very high	88.7	Confident	43 Å²	43	50.9 Å²	50.9	17%	0.169	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	158.8	172.6	-60.8	-76.2	0	0	0	109.6	V401 E403 L408 Y412 K613	V401-Y410 PolarHBondContact N-O 2.89Å; V401-Y410 PolarHBondContact O-N 2.84Å; E403-Y410 HydrophobicContact CG-CD2 4.09Å; E403-Y410 WeakPolarHBondContact OE2-CE2 3.14Å; L408-Y410 HydrophobicContact CB-CE2 3.91Å; L408-Y410 WeakPolarHBondContact CD1-OH 3.49Å; Y410-Y412 WeakPolarHBondContact O-CD2 3.45Å; Y410-K613 HydrophobicContact CD1-CB 3.54Å; Y410-K613 HydrophobicContact CD1-CG 4.11Å; Y410-K613 HydrophobicContact CD2-CB 4.13Å; Y410-K613 HydrophobicContact CD2-CD 4.02Å; Y410-K613 HydrophobicContact CD2-CG 4.38Å; Y410-K613 HydrophobicContact CE1-CB 3.71Å; Y410-K613 HydrophobicContact CE1-CD 4.3Å; Y410-K613 HydrophobicContact CE1-CG 3.75Å; Y410-K613 HydrophobicContact CE2-CB 4.29Å; Y410-K613 HydrophobicContact CE2-CD 3.66Å; Y410-K613 HydrophobicContact CE2-CG 4.05Å; Y410-K613 HydrophobicContact CG-CB 3.74Å; Y410-K613 HydrophobicContact CG-CD 4.48Å; Y410-K613 HydrophobicContact CG-CG 4.4Å
411	R	93.6	Very high	88.5	Confident	57 Å²	57	48.8 Å²	48.8	22%	0.215	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132.3	178.9	-63.4	-170.8	-160.5	-93.6	-0	111.1	L376 P398 Q399 L400 G611 S612	L376-R411 HydrophobicContact CD1-CB 4.36Å; L376-R411 HydrophobicContact CD1-CG 4.29Å; P398-R411 HydrophobicContact CB-CB 3.93Å; Q399-R411 CarbonylContact O-C 3.49Å; Q399-R411 VanDerWaalsContact O-CA 3.24Å; Q399-R411 WeakPolarHBondContact O-CA 3.36Å; L400-R411 HydrophobicContact CD2-CG 3.64Å; L400-R411 HydrophobicContact CG-CG 4.12Å; R411-G611 CarbonylContact O-C 3.58Å; R411-G611 VanDerWaalsContact O-CA 3.26Å; R411-G611 WeakPolarHBondContact O-CA 3.45Å; R411-S612 PolarHBondContact N-OG 3.5Å; R411-S612 PolarHBondContact O-N 3.25Å
412	Y	93.5	Very high	87.8	Confident	3 Å²	3	55.2 Å²	55.2	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.2	175.8	-63.5	-97.3	0	0	0	109.6	P398 Q399 V401 E403 Y410 H414 E438	P398-Y412 CarbonylContact C-O 3.59Å; P398-Y412 WeakPolarHBondContact CA-O 3.15Å; Q399-Y412 PolarHBondContact N-O 3.47Å; Q399-Y412 PolarHBondContact O-N 2.78Å; V401-Y412 HydrophobicContact CB-CD2 3.73Å; V401-Y412 HydrophobicContact CB-CE2 4.07Å; V401-Y412 HydrophobicContact CG2-CD2 3.95Å; E403-Y412 WeakPolarHBondContact CG-OH 2.99Å; E403-Y412 PolarHBondContact OE1-OH 3.44Å; Y410-Y412 WeakPolarHBondContact O-CD2 3.45Å; Y412-H414 WeakPolarHBondContact CB-NE2 3.41Å; Y412-H414 AromaticContact CG-NE2 3.79Å; Y412-H414 PolarHBondContact O-CD2 2.71Å; Y412-H414 VanDerWaalsContact O-CD2 3.29Å; Y412-H414 PolarHBondContact O-N 3.02Å; Y412-E438 HydrophobicContact CD1-CG 3.96Å
413	S	93	Very high	87.2	Confident	9 Å²	9	54.6 Å²	54.6	6%	0.063	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	115.2	-177.7	-54.3	0	0	0	0	110.3	H382 E438 V439	H382-S413 PolarHBondContact CE1-OG 2.81Å; H382-S413 PolarHBondContact ND1-OG 2.67Å; S413-E438 WeakPolarHBondContact CB-OE1 3.29Å; S413-E438 PolarHBondContact N-OE1 3.18Å; S413-E438 WeakPolarHBondContact O-CA 3.36Å; S413-E438 PolarHBondContact OG-OE1 2.76Å; S413-V439 WeakPolarHBondContact O-CB 3.44Å; S413-V439 PolarHBondContact O-N 2.84Å
414	H	93	Very high	87	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	158.5	-174.6	-79.9	-57.7	0	0	0	112.3	I396 L397 Y412 A416 F431 T433 G435 W437	I396-H414 WeakPolarHBondContact CA-O 3.39Å; L397-H414 PolarHBondContact N-O 3.06Å; L397-H414 PolarHBondContact O-N 2.8Å; Y412-H414 WeakPolarHBondContact CB-NE2 3.41Å; Y412-H414 AromaticContact CG-NE2 3.79Å; Y412-H414 PolarHBondContact O-CD2 2.71Å; Y412-H414 VanDerWaalsContact O-CD2 3.29Å; Y412-H414 PolarHBondContact O-N 3.02Å; H414-A416 PolarHBondContact O-N 3.28Å; H414-F431 HydrophobicContact CB-CD1 3.91Å; H414-F431 HydrophobicContact CB-CE1 4.36Å; H414-T433 WeakPolarHBondContact CB-O 3.28Å; H414-T433 WeakPolarHBondContact CB-OG1 3.34Å; H414-T433 VanDerWaalsContact CG-O 3.22Å; H414-T433 PolarHBondContact ND1-O 2.93Å; H414-T433 PolarHBondContact ND1-OG1 2.72Å; H414-G435 PolarHBondContact CE1-O 2.85Å; H414-G435 PolarHBondContact NE2-N 2.98Å; H414-G435 PolarHBondContact NE2-O 2.9Å; H414-W437 AromaticContact CE1-CD1 3.54Å; H414-W437 AromaticContact CE1-CD2 2.77Å; H414-W437 AromaticContact CE1-CE2 2.53Å; H414-W437 AromaticContact CE1-CE3 3.23Å; H414-W437 AromaticContact CE1-CG 3.4Å; H414-W437 VanDerWaalsContact CE1-CG 3.4Å; H414-W437 AromaticContact CE1-CH2 3.24Å; H414-W437 WeakPolarHBondContact CE1-CH2 3.22Å; H414-W437 AromaticContact CE1-CZ2 2.79Å; H414-W437 WeakPolarHBondContact CE1-CZ2 3.5Å; H414-W437 AromaticContact CE1-CZ3 3.45Å; H414-W437 VanDerWaalsContact CE1-CZ3 3.45Å; H414-W437 WeakPolarHBondContact CE1-CZ3 3.37Å; H414-W437 AromaticContact CE1-NE1 3.07Å; H414-W437 PolarHBondContact CE1-NE1 3.06Å; H414-W437 PolarHBondContact CE1-O 2.81Å; H414-W437 AromaticContact ND1-CH2 3.59Å; H414-W437 AromaticContact ND1-CZ2 3.64Å; H414-W437 PolarHBondContact NE2-O 2.87Å
415	V	92.3	Very high	87.2	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	122.6	174.6	-179.2	0	0	0	0	109.2	F431 L432 T433 V439 I442 V452	V415-F431 CarbonylContact O-C 3.38Å; V415-F431 WeakPolarHBondContact O-CA 3.41Å; V415-L432 HydrophobicContact CB-CB 4.46Å; V415-L432 HydrophobicContact CG1-CB 4.39Å; V415-L432 HydrophobicContact CG1-CD1 4.11Å; V415-L432 HydrophobicContact CG1-CG 4.49Å; V415-L432 PolarHBondContact O-N 2.67Å; V415-T433 HydrophobicContact CB-CG2 4.45Å; V415-T433 HydrophobicContact CG2-CG2 4.49Å; V415-T433 PolarHBondContact N-OG1 2.87Å; V415-V439 HydrophobicContact CG2-CG1 3.84Å; V415-V439 HydrophobicContact CG2-CG2 4.08Å; V415-I442 HydrophobicContact CG1-CD1 4.06Å; V415-I442 HydrophobicContact CG2-CD1 4.22Å; V415-I442 HydrophobicContact CG2-CG1 4.05Å; V415-V452 HydrophobicContact CG1-CG1 4.18Å
416	A	93.3	Very high	87.9	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.5	167.8	0	0	0	0	0	110.7	Y394 V395 L397 H414 V418 F431	Y394-A416 WeakPolarHBondContact CA-O 3.27Å; V395-A416 HydrophobicContact CG1-CB 4.46Å; V395-A416 PolarHBondContact N-O 3.01Å; V395-A416 VanDerWaalsContact N-O 3.08Å; V395-A416 PolarHBondContact O-N 3.5Å; L397-A416 HydrophobicContact CB-CB 4.17Å; L397-A416 HydrophobicContact CD1-CB 3.67Å; L397-A416 HydrophobicContact CG-CB 4.04Å; H414-A416 PolarHBondContact O-N 3.28Å; A416-V418 HydrophobicContact CB-CG2 4.42Å; A416-F431 HydrophobicContact CB-CD1 4.05Å; A416-F431 HydrophobicContact CB-CE1 4.14Å
417	Q	93.6	Very high	88.9	Confident	38 Å²	38	53.8 Å²	53.8	18%	0.178	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	121.3	161	-176.6	-173.4	-107.4	0	0	107.9	K392 Y393 Y394 T430 L432	K392-Q417 HydrophobicContact CB-CG 4.34Å; K392-Q417 HydrophobicContact CD-CG 4.01Å; K392-Q417 VanDerWaalsContact CD-OE1 3.27Å; Y393-Q417 WeakPolarHBondContact O-CA 3.3Å; Y394-Q417 HydrophobicContact CD1-CB 3.87Å; Y394-Q417 HydrophobicContact CD1-CG 4.05Å; Y394-Q417 HydrophobicContact CE1-CB 3.81Å; Y394-Q417 HydrophobicContact CE1-CG 3.64Å; Q417-T430 PolarHBondContact N-O 3.08Å; Q417-T430 PolarHBondContact O-N 2.82Å; Q417-L432 HydrophobicContact CB-CD1 4.1Å; Q417-L432 HydrophobicContact CB-CD2 4.13Å; Q417-L432 HydrophobicContact CB-CG 4.11Å
418	V	96	Very high	89.7	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.2	177.3	-170.2	0	0	0	0	109.6	Y369 K392 Y393 V395 L397 A416 K428 A429	Y369-V418 HydrophobicContact CD2-CG1 4.31Å; Y369-V418 HydrophobicContact CG-CG1 4.35Å; K392-V418 CarbonylContact C-O 3.5Å; K392-V418 VanDerWaalsContact CA-O 3.22Å; K392-V418 WeakPolarHBondContact CA-O 3.48Å; K392-V418 WeakPolarHBondContact CB-O 3.45Å; Y393-V418 HydrophobicContact CD1-CB 4.35Å; Y393-V418 HydrophobicContact CD2-CB 4.38Å; Y393-V418 HydrophobicContact CE1-CB 3.79Å; Y393-V418 HydrophobicContact CE1-CG1 3.98Å; Y393-V418 HydrophobicContact CE2-CB 3.81Å; Y393-V418 HydrophobicContact CE2-CG1 4.49Å; Y393-V418 HydrophobicContact CE2-CG2 3.96Å; Y393-V418 VanDerWaalsContact CZ-CB 3.49Å; Y393-V418 PolarHBondContact N-O 2.7Å; Y393-V418 PolarHBondContact O-N 3.41Å; Y393-V418 WeakPolarHBondContact OH-CG1 3.42Å; V395-V418 HydrophobicContact CG1-CG2 3.88Å; L397-V418 HydrophobicContact CD1-CG2 4.37Å; A416-V418 HydrophobicContact CB-CG2 4.42Å; V418-K428 WeakPolarHBondContact CA-O 3.41Å; V418-A429 HydrophobicContact CG2-CB 3.98Å
419	T	95.4	Very high	90	Very high	51 Å²	51	50 Å²	50	31%	0.313	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	155.3	-179.7	56.4	0	0	0	0	112.9	N368 S391 P421 G427 K428	N368-T419 PolarHBondContact ND2-O 3.35Å; N368-T419 PolarHBondContact OD1-O 2.84Å; S391-T419 CarbonylContact O-C 3.56Å; T419-P421 WeakPolarHBondContact O-CD 3.35Å; T419-G427 WeakPolarHBondContact O-CA 3.21Å; T419-K428 PolarHBondContact N-O 3.33Å; T419-K428 VanDerWaalsContact N-O 3.13Å; T419-K428 PolarHBondContact OG1-N 2.6Å; T419-K428 PolarHBondContact OG1-O 3.09Å
420	I	93	Very high	90.1	Very high	12 Å²	12	47.3 Å²	47.3	6%	0.062	26%	0.258	C	S	.	.			trans	-115.8	96	174.4	-57.9	173	0	0	0	109	M332 L342 Y357 S391 Y393 L422	M332-I420 HydrophobicContact CE-CD1 3.44Å; M332-I420 VanDerWaalsContact CE-CD1 3.44Å; M332-I420 HydrophobicContact SD-CD1 3.68Å; L342-I420 HydrophobicContact CD1-CD1 4.44Å; L342-I420 HydrophobicContact CD2-CD1 4.04Å; Y357-I420 HydrophobicContact CD1-CG2 3.7Å; Y357-I420 HydrophobicContact CD2-CD1 4.01Å; Y357-I420 HydrophobicContact CD2-CG2 4.19Å; Y357-I420 HydrophobicContact CE1-CG2 3.87Å; Y357-I420 HydrophobicContact CE2-CD1 4.32Å; Y357-I420 HydrophobicContact CE2-CG2 4.35Å; Y357-I420 HydrophobicContact CG-CG2 3.86Å; S391-I420 PolarHBondContact O-N 3.15Å; Y393-I420 HydrophobicContact CD1-CD1 4.03Å; Y393-I420 HydrophobicContact CD1-CG1 4.08Å; Y393-I420 HydrophobicContact CE1-CD1 4.43Å; Y393-I420 HydrophobicContact CE1-CG1 4.14Å; I420-L422 PolarHBondContact O-N 3.16Å
421	P	88.2	Confident	90.1	Very high	31 Å²	31	47.7 Å²	47.7	20%	0.201	26%	0.261	C	S	.	.			trans	-67.4	123.9	177.3	-21.5	34.7	0	0	0	111.4	T419 S423 G424 Q425	T419-P421 WeakPolarHBondContact O-CD 3.35Å; P421-S423 WeakPolarHBondContact CB-OG 3.38Å; P421-S423 PolarHBondContact O-N 3.08Å; P421-S423 VanDerWaalsContact O-N 3.13Å; P421-G424 PolarHBondContact O-N 3.02Å; P421-Q425 HydrophobicContact CB-CB 4.31Å; P421-Q425 WeakPolarHBondContact CD-O 3.25Å; P421-Q425 HydrophobicContact CG-CB 4.46Å; P421-Q425 WeakPolarHBondContact CG-O 3.31Å
422	L	76.4	Confident	89.8	Confident	158 Å²	158	48.4 Å²	48.4	83%	0.827	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.3	174.3	-64.9	176.9	0	0	0	112.5	I420 G424	I420-L422 PolarHBondContact O-N 3.16Å; L422-G424 PolarHBondContact O-N 3.23Å
423	S	77	Confident	89.6	Confident	84 Å²	84	48.8 Å²	48.8	59%	0.587	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-13.2	173.1	55.9	0	0	0	0	114.7	P421 Q425	P421-S423 WeakPolarHBondContact CB-OG 3.38Å; P421-S423 PolarHBondContact O-N 3.08Å; P421-S423 VanDerWaalsContact O-N 3.13Å; S423-Q425 VanDerWaalsContact C-N 3.27Å; S423-Q425 PolarHBondContact O-N 3.04Å
424	G	75.5	Confident	89.3	Confident	32 Å²	32	51.8 Å²	51.8	33%	0.33	28%	0.284	S	S	.	.	S	Bend	trans	75.8	12.7	-175.4	0	0	0	0	0	114.5	P421 L422	P421-G424 PolarHBondContact O-N 3.02Å; L422-G424 PolarHBondContact O-N 3.23Å
425	Q	80.6	Confident	89.1	Confident	137 Å²	137	52.7 Å²	52.7	64%	0.64	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-74	159.5	166.9	-68.8	173.7	-19.8	0	0	110.8	P421 S423	P421-Q425 HydrophobicContact CB-CB 4.31Å; P421-Q425 WeakPolarHBondContact CD-O 3.25Å; P421-Q425 HydrophobicContact CG-CB 4.46Å; P421-Q425 WeakPolarHBondContact CG-O 3.31Å; S423-Q425 VanDerWaalsContact C-N 3.27Å; S423-Q425 PolarHBondContact O-N 3.04Å
426	N	88.5	Confident	88.9	Confident	90 Å²	90	55.4 Å²	55.4	48%	0.481	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-59.1	140.9	175.4	-67.7	20.6	0	0	0	111.4	N368	N368-N426 CarbonylContact O-C 3.59Å; N368-N426 WeakPolarHBondContact O-CA 3.09Å; N368-N426 WeakPolarHBondContact O-CB 3.38Å
427	G	93.4	Very high	88.6	Confident	8 Å²	8	57.5 Å²	57.5	8%	0.082	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-63.8	136.9	175	0	0	0	0	0	112.6	N368 T419	N368-G427 WeakPolarHBondContact ND2-CA 3.26Å; N368-G427 PolarHBondContact ND2-N 2.85Å; N368-G427 PolarHBondContact O-N 3.22Å; T419-G427 WeakPolarHBondContact O-CA 3.21Å
428	K	94.4	Very high	88.4	Confident	151 Å²	151	56.3 Å²	56.3	66%	0.657	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-81.6	120.3	169.9	-175.1	-179.2	177.9	-177.3	0	108.4	V418 T419	V418-K428 WeakPolarHBondContact CA-O 3.41Å; T419-K428 PolarHBondContact N-O 3.33Å; T419-K428 VanDerWaalsContact N-O 3.13Å; T419-K428 PolarHBondContact OG1-N 2.6Å; T419-K428 PolarHBondContact OG1-O 3.09Å
429	A	94.9	Very high	88.1	Confident	26 Å²	26	56.3 Å²	56.3	22%	0.215	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	132.6	165.6	0	0	0	0	0	110.4	Y369 L397 V418	Y369-A429 HydrophobicContact CD2-CB 4.43Å; Y369-A429 HydrophobicContact CE2-CB 3.82Å; L397-A429 HydrophobicContact CD1-CB 4.36Å; V418-A429 HydrophobicContact CG2-CB 3.98Å
430	T	94.1	Very high	87.6	Confident	61 Å²	61	56.1 Å²	56.1	37%	0.374	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	117.7	169.1	-59.6	0	0	0	0	107.4	Q417	Q417-T430 PolarHBondContact N-O 3.08Å; Q417-T430 PolarHBondContact O-N 2.82Å
431	F	92.1	Very high	87.4	Confident	50 Å²	50	59.8 Å²	59.8	22%	0.219	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	141.3	174.2	-68.8	-80.8	0	0	0	110.5	L397 Q399 H414 V415 A416	L397-F431 HydrophobicContact CB-CE1 3.82Å; L397-F431 HydrophobicContact CB-CZ 4.12Å; L397-F431 WeakPolarHBondContact O-CE1 3.37Å; Q399-F431 HydrophobicContact CB-CD1 3.96Å; Q399-F431 HydrophobicContact CB-CD2 4.28Å; Q399-F431 HydrophobicContact CB-CE1 3.67Å; Q399-F431 HydrophobicContact CB-CE2 4.01Å; Q399-F431 HydrophobicContact CB-CG 4.26Å; Q399-F431 HydrophobicContact CB-CZ 3.7Å; Q399-F431 HydrophobicContact CG-CD1 4.32Å; Q399-F431 HydrophobicContact CG-CD2 3.82Å; Q399-F431 HydrophobicContact CG-CE1 4.28Å; Q399-F431 HydrophobicContact CG-CE2 3.78Å; Q399-F431 HydrophobicContact CG-CG 4.1Å; Q399-F431 HydrophobicContact CG-CZ 4.02Å; H414-F431 HydrophobicContact CB-CD1 3.91Å; H414-F431 HydrophobicContact CB-CE1 4.36Å; V415-F431 CarbonylContact O-C 3.38Å; V415-F431 WeakPolarHBondContact O-CA 3.41Å; A416-F431 HydrophobicContact CB-CD1 4.05Å; A416-F431 HydrophobicContact CB-CE1 4.14Å
432	L	88.7	Confident	87.5	Confident	72 Å²	72	59 Å²	59	38%	0.377	33%	0.325	S	S	.	.	S	Bend	trans	-108.5	-10.7	177.5	-57.5	-175.3	0	0	0	112.5	Y394 V415 Q417 V452	Y394-L432 HydrophobicContact CD1-CD1 3.97Å; Y394-L432 HydrophobicContact CE1-CD1 3.86Å; V415-L432 HydrophobicContact CB-CB 4.46Å; V415-L432 HydrophobicContact CG1-CB 4.39Å; V415-L432 HydrophobicContact CG1-CD1 4.11Å; V415-L432 HydrophobicContact CG1-CG 4.49Å; V415-L432 PolarHBondContact O-N 2.67Å; Q417-L432 HydrophobicContact CB-CD1 4.1Å; Q417-L432 HydrophobicContact CB-CD2 4.13Å; Q417-L432 HydrophobicContact CB-CG 4.11Å; L432-V452 HydrophobicContact CD1-CG2 4.22Å
433	T	88.3	Confident	88.1	Confident	12 Å²	12	53 Å²	53	7%	0.074	30%	0.295	C	S	.	.			trans	-137.7	149.2	177.3	62.5	0	0	0	0	109.5	Q399 H414 V415 W437	Q399-T433 PolarHBondContact OE1-O 2.94Å; H414-T433 WeakPolarHBondContact CB-O 3.28Å; H414-T433 WeakPolarHBondContact CB-OG1 3.34Å; H414-T433 VanDerWaalsContact CG-O 3.22Å; H414-T433 PolarHBondContact ND1-O 2.93Å; H414-T433 PolarHBondContact ND1-OG1 2.72Å; V415-T433 HydrophobicContact CB-CG2 4.45Å; V415-T433 HydrophobicContact CG2-CG2 4.49Å; V415-T433 PolarHBondContact N-OG1 2.87Å; T433-W437 HydrophobicContact CG2-CH2 4.02Å; T433-W437 HydrophobicContact CG2-CZ2 4.43Å
434	H	87.6	Confident	88.6	Confident	72 Å²	72	49 Å²	49	33%	0.333	27%	0.267	S	S	.	.			trans	-147.9	149	-170.1	-57	-49.2	0	0	0	110.7	Q399 W437 D460	Q399-H434 PolarHBondContact NE2-ND1 3.1Å; Q399-H434 PolarHBondContact OE1-ND1 3.25Å; H434-W437 PolarHBondContact O-NE1 3.4Å; H434-D460 IonicContact CD2-OD2 2.8Å
435	G	87.5	Confident	88.9	Confident	19 Å²	19	48.1 Å²	48.1	20%	0.196	25%	0.254	C	S	.	.	S	Bend	trans	131.1	177.8	169	0	0	0	0	0	114.5	H414 W437	H414-G435 PolarHBondContact CE1-O 2.85Å; H414-G435 PolarHBondContact NE2-N 2.98Å; H414-G435 PolarHBondContact NE2-O 2.9Å; G435-W437 PolarHBondContact O-N 2.94Å
436	S	88.6	Confident	88.9	Confident	60 Å²	60	42.2 Å²	42.2	42%	0.42	23%	0.228	S	C	.	.	S	Bend	trans	-82.5	47.1	-176.7	-50.3	0	0	0	0	112.7
437	W	86.9	Confident	88	Confident	43 Å²	43	41.8 Å²	41.8	16%	0.163	22%	0.222	C	C	.	.	S	Bend	trans	-148.8	160.1	-177.3	62.6	-93	0	0	0	108.4	H414 T433 H434 G435 V439 N456 N458	H414-W437 AromaticContact CE1-CD1 3.54Å; H414-W437 AromaticContact CE1-CD2 2.77Å; H414-W437 AromaticContact CE1-CE2 2.53Å; H414-W437 AromaticContact CE1-CE3 3.23Å; H414-W437 AromaticContact CE1-CG 3.4Å; H414-W437 VanDerWaalsContact CE1-CG 3.4Å; H414-W437 AromaticContact CE1-CH2 3.24Å; H414-W437 WeakPolarHBondContact CE1-CH2 3.22Å; H414-W437 AromaticContact CE1-CZ2 2.79Å; H414-W437 WeakPolarHBondContact CE1-CZ2 3.5Å; H414-W437 AromaticContact CE1-CZ3 3.45Å; H414-W437 VanDerWaalsContact CE1-CZ3 3.45Å; H414-W437 WeakPolarHBondContact CE1-CZ3 3.37Å; H414-W437 AromaticContact CE1-NE1 3.07Å; H414-W437 PolarHBondContact CE1-NE1 3.06Å; H414-W437 PolarHBondContact CE1-O 2.81Å; H414-W437 AromaticContact ND1-CH2 3.59Å; H414-W437 AromaticContact ND1-CZ2 3.64Å; H414-W437 PolarHBondContact NE2-O 2.87Å; T433-W437 HydrophobicContact CG2-CH2 4.02Å; T433-W437 HydrophobicContact CG2-CZ2 4.43Å; H434-W437 PolarHBondContact O-NE1 3.4Å; G435-W437 PolarHBondContact O-N 2.94Å; W437-V439 HydrophobicContact CE3-CG2 4.49Å; W437-V439 HydrophobicContact CH2-CG2 3.58Å; W437-V439 HydrophobicContact CZ3-CB 4.35Å; W437-V439 HydrophobicContact CZ3-CG2 3.37Å; W437-N456 HydrophobicContact CE3-CB 4.42Å; W437-N456 WeakPolarHBondContact CZ3-O 3.31Å; W437-N458 HydrophobicContact CD2-CB 4.33Å; W437-N458 HydrophobicContact CZ2-CB 4.16Å; W437-N458 VanDerWaalsContact CZ2-O 3.25Å; W437-N458 WeakPolarHBondContact CZ2-O 3.47Å; W437-N458 PolarHBondContact NE1-O 3.37Å
438	E	88.7	Confident	86.8	Confident	14 Å²	14	50.6 Å²	50.6	7%	0.065	26%	0.258	C	S	.	.			trans	-122.4	134.9	-174.6	-60.2	-159.7	91.8	0	0	114.5	Y412 S413 A609 R610 G611	Y412-E438 HydrophobicContact CD1-CG 3.96Å; S413-E438 WeakPolarHBondContact CB-OE1 3.29Å; S413-E438 PolarHBondContact N-OE1 3.18Å; S413-E438 WeakPolarHBondContact O-CA 3.36Å; S413-E438 PolarHBondContact OG-OE1 2.76Å; E438-A609 HydrophobicContact CB-CB 4.38Å; E438-A609 VanDerWaalsContact OE2-C 3.24Å; E438-A609 WeakPolarHBondContact OE2-CA 3.4Å; E438-A609 PolarHBondContact OE2-N 3.11Å; E438-R610 PolarHBondContact OE2-N 2.93Å; E438-G611 VanDerWaalsContact CD-N 3.34Å; E438-G611 WeakPolarHBondContact OE2-CA 3.31Å; E438-G611 PolarHBondContact OE2-N 2.81Å
439	V	90.1	Very high	85.2	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.			trans	-72.4	116.7	164.5	180	0	0	0	0	108.7	I396 S413 V415 W437	I396-V439 HydrophobicContact CD1-CG1 3.76Å; I396-V439 HydrophobicContact CG1-CG1 4.04Å; S413-V439 WeakPolarHBondContact O-CB 3.44Å; S413-V439 PolarHBondContact O-N 2.84Å; V415-V439 HydrophobicContact CG2-CG1 3.84Å; V415-V439 HydrophobicContact CG2-CG2 4.08Å; W437-V439 HydrophobicContact CE3-CG2 4.49Å; W437-V439 HydrophobicContact CH2-CG2 3.58Å; W437-V439 HydrophobicContact CZ3-CB 4.35Å; W437-V439 HydrophobicContact CZ3-CG2 3.37Å
440	S	86.3	Confident	83.8	Confident	47 Å²	47	50.8 Å²	50.8	33%	0.329	26%	0.26	S	S	.	.			trans	-86.2	-42.7	176.9	61.2	0	0	0	0	113.3	I396 A455	I396-S440 WeakPolarHBondContact CD1-O 3.47Å; S440-A455 WeakPolarHBondContact OG-CB 2.97Å
441	K	88.7	Confident	82.6	Confident	89 Å²	89	54.1 Å²	54.1	39%	0.387	27%	0.266	S	S	.	.			trans	-146.6	140.9	-178.3	-63	-169.5	177.2	-170.2	0	111.5	E241 V443 S454 A455	E241-K441 IonicContact OE1-NZ 3.25Å; E241-K441 IonicContact OE2-NZ 2.7Å; K441-V443 HydrophobicContact CB-CG1 4.23Å; K441-S454 VanDerWaalsContact O-CA 3.32Å; K441-S454 WeakPolarHBondContact O-CA 3.14Å; K441-S454 WeakPolarHBondContact O-CB 3.2Å; K441-A455 PolarHBondContact O-N 2.82Å
442	I	90.2	Very high	81.5	Confident	13 Å²	13	53.4 Å²	53.4	7%	0.067	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.1	164.3	-51.8	175.9	0	0	0	107.4	F387 I396 V415 V452	F387-I442 HydrophobicContact CD2-CG2 3.68Å; F387-I442 HydrophobicContact CE2-CG2 3.86Å; I396-I442 HydrophobicContact CD1-CG1 4.21Å; I396-I442 HydrophobicContact CG1-CD1 4Å; I396-I442 HydrophobicContact CG1-CG1 3.82Å; V415-I442 HydrophobicContact CG1-CD1 4.06Å; V415-I442 HydrophobicContact CG2-CD1 4.22Å; V415-I442 HydrophobicContact CG2-CG1 4.05Å; I442-V452 HydrophobicContact CG2-CG1 3.51Å
443	V	88.8	Confident	80.7	Confident	33 Å²	33	51.5 Å²	51.5	20%	0.2	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-21.2	-167.1	-65.1	0	0	0	0	114.3	K441 V453 F481	K441-V443 HydrophobicContact CB-CG1 4.23Å; V443-V453 HydrophobicContact CG2-CB 4.15Å; V443-V453 HydrophobicContact CG2-CG1 3.84Å; V443-V453 WeakPolarHBondContact CG2-O 3.32Å; V443-V453 PolarHBondContact N-O 2.82Å; V443-F481 HydrophobicContact CB-CD2 4.15Å; V443-F481 HydrophobicContact CB-CE2 4.31Å; V443-F481 HydrophobicContact CG2-CD2 3.99Å; V443-F481 HydrophobicContact CG2-CE2 3.67Å; V443-F481 WeakPolarHBondContact O-CD2 3.31Å
444	G	86.1	Confident	79.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	160.3	178.2	0	0	0	0	0	112.9	F387 V453	F387-G444 VanDerWaalsContact CZ-CA 3.48Å; G444-V453 PolarHBondContact N-O 3.43Å; G444-V453 PolarHBondContact O-N 3.05Å
445	H	83.6	Confident	78.6	Confident	14 Å²	14	49.5 Å²	49.5	7%	0.065	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	114.2	173.3	172.5	-126.9	0	0	0	109.7	F387 Y394 R451	F387-H445 HydrophobicContact CB-CB 3.67Å; F387-H445 HydrophobicContact CD1-CB 3.59Å; F387-H445 HydrophobicContact CD2-CB 4.17Å; F387-H445 HydrophobicContact CE1-CB 4.29Å; F387-H445 HydrophobicContact CG-CB 3.51Å; Y394-H445 AromaticContact CE2-CD2 3.63Å; Y394-H445 AromaticContact CE2-CE1 3.66Å; Y394-H445 AromaticContact CE2-NE2 3.34Å; Y394-H445 VanDerWaalsContact CE2-NE2 3.34Å; Y394-H445 WeakPolarHBondContact CE2-NE2 3.46Å; Y394-H445 AromaticContact CZ-NE2 3.66Å; Y394-H445 PolarHBondContact OH-NE2 3.31Å; H445-R451 CarbonylContact C-O 3.55Å; H445-R451 WeakPolarHBondContact CA-O 3.31Å; H445-R451 PolarHBondContact CD2-O 3.12Å
446	S	79.3	Confident	77.4	Confident	13 Å²	13	53.5 Å²	53.5	9%	0.091	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	107.9	173.6	171.6	0	0	0	0	109.4	K448 E449 N450 R451	S446-K448 VanDerWaalsContact C-N 3.32Å; S446-E449 PolarHBondContact O-N 3.03Å; S446-E449 PolarHBondContact OG-N 3Å; S446-N450 WeakPolarHBondContact O-CA 3.38Å; S446-N450 PolarHBondContact O-N 3.02Å; S446-R451 PolarHBondContact N-O 3.35Å; S446-R451 PolarHBondContact O-N 3.05Å
447	K	69.3	Low	75.8	Confident	81 Å²	81	52.2 Å²	52.2	35%	0.352	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-36.4	174.6	-75.8	-157.2	175.7	-167.1	0	112.5	D389 E449 N450	D389-K447 WeakPolarHBondContact OD1-CE 2.95Å; D389-K447 IonicContact OD1-NZ 3.88Å; D389-K447 PolarHBondContact OD1-NZ 3.29Å; K447-E449 PolarHBondContact O-N 3.27Å; K447-N450 PolarHBondContact O-N 2.81Å
448	K	69.1	Low	74.2	Confident	192 Å²	192	55.3 Å²	55.3	84%	0.835	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-33.8	-179.8	-176.1	-172.9	173.1	-164	0	112.5	S446	S446-K448 VanDerWaalsContact C-N 3.32Å
449	E	61.2	Low	72.4	Confident	88 Å²	88	55.5 Å²	55.5	41%	0.411	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	1.4	-178.4	-54.9	-170.2	162.7	0	0	112.9	S446 K447 R451	S446-E449 PolarHBondContact O-N 3.03Å; S446-E449 PolarHBondContact OG-N 3Å; K447-E449 PolarHBondContact O-N 3.27Å; E449-R451 HydrophobicContact CB-CB 4.34Å; E449-R451 HydrophobicContact CB-CG 3.99Å; E449-R451 PolarHBondContact O-N 2.83Å; E449-R451 WeakPolarHBondContact OE2-CD 3.28Å; E449-R451 IonicContact OE2-CZ 3.56Å; E449-R451 IonicContact OE2-NE 3.62Å; E449-R451 IonicContact OE2-NH1 2.7Å; E449-R451 PolarHBondContact OE2-NH1 3.39Å
450	N	65.6	Low	70.7	Confident	93 Å²	93	62.1 Å²	62.1	50%	0.497	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	38.7	-171	-175.4	71.8	0	0	0	112.7	K392 S446 K447	K392-N450 PolarHBondContact NZ-OD1 2.67Å; S446-N450 WeakPolarHBondContact O-CA 3.38Å; S446-N450 PolarHBondContact O-N 3.02Å; K447-N450 PolarHBondContact O-N 2.81Å
451	R	68.3	Low	69.7	Low	132 Å²	132	69 Å²	69	50%	0.498	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	132.6	-176.5	-78.9	176	171.9	167.2	-10.6	111.3	H445 S446 E449	H445-R451 CarbonylContact C-O 3.55Å; H445-R451 WeakPolarHBondContact CA-O 3.31Å; H445-R451 PolarHBondContact CD2-O 3.12Å; S446-R451 PolarHBondContact N-O 3.35Å; S446-R451 PolarHBondContact O-N 3.05Å; E449-R451 HydrophobicContact CB-CB 4.34Å; E449-R451 HydrophobicContact CB-CG 3.99Å; E449-R451 PolarHBondContact O-N 2.83Å; E449-R451 WeakPolarHBondContact OE2-CD 3.28Å; E449-R451 IonicContact OE2-CZ 3.56Å; E449-R451 IonicContact OE2-NE 3.62Å; E449-R451 IonicContact OE2-NH1 2.7Å; E449-R451 PolarHBondContact OE2-NH1 3.39Å
452	V	69.3	Low	69.1	Low	35 Å²	35	67.3 Å²	67.3	21%	0.212	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.9	172.3	-179.4	0	0	0	0	108.8	Y394 V415 L432 I442	Y394-V452 HydrophobicContact CD1-CG2 3.63Å; Y394-V452 HydrophobicContact CD2-CG2 4.06Å; Y394-V452 HydrophobicContact CE1-CG2 3.56Å; Y394-V452 HydrophobicContact CE2-CG2 3.99Å; Y394-V452 HydrophobicContact CG-CG2 3.86Å; V415-V452 HydrophobicContact CG1-CG1 4.18Å; L432-V452 HydrophobicContact CD1-CG2 4.22Å; I442-V452 HydrophobicContact CG2-CG1 3.51Å
453	V	71.7	Confident	68.7	Low	32 Å²	32	71.7 Å²	71.7	19%	0.194	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.2	173.9	-169.6	0	0	0	0	109.4	V443 G444 L465 F481	V443-V453 HydrophobicContact CG2-CB 4.15Å; V443-V453 HydrophobicContact CG2-CG1 3.84Å; V443-V453 WeakPolarHBondContact CG2-O 3.32Å; V443-V453 PolarHBondContact N-O 2.82Å; G444-V453 PolarHBondContact N-O 3.43Å; G444-V453 PolarHBondContact O-N 3.05Å; V453-L465 HydrophobicContact CG1-CD1 4.11Å; V453-L465 HydrophobicContact CG2-CD1 4.46Å; V453-F481 HydrophobicContact CB-CE1 4.33Å; V453-F481 HydrophobicContact CB-CE2 4.21Å; V453-F481 HydrophobicContact CB-CZ 3.89Å; V453-F481 HydrophobicContact CG1-CE2 3.93Å; V453-F481 HydrophobicContact CG1-CZ 3.65Å; V453-F481 HydrophobicContact CG2-CE1 3.93Å; V453-F481 HydrophobicContact CG2-CZ 3.89Å
454	S	68.4	Low	68.6	Low	10 Å²	10	72.6 Å²	72.6	7%	0.07	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	167.8	176.7	57.3	0	0	0	0	110.8	K441 P457	K441-S454 VanDerWaalsContact O-CA 3.32Å; K441-S454 WeakPolarHBondContact O-CA 3.14Å; K441-S454 WeakPolarHBondContact O-CB 3.2Å; S454-P457 WeakPolarHBondContact O-CD 3.45Å
455	A	62.5	Low	68.7	Low	31 Å²	31	75 Å²	75	26%	0.256	39%	0.393	S	S	.	.	S	Bend	trans	-82.2	141.6	170.5	0	0	0	0	0	111.1	S440 K441 P457	S440-A455 WeakPolarHBondContact OG-CB 2.97Å; K441-A455 PolarHBondContact O-N 2.82Å; A455-P457 VanDerWaalsContact C-CD 3.4Å
456	N	62.2	Low	68.9	Low	103 Å²	103	76 Å²	76	55%	0.551	40%	0.4	S	S	*	.	S	Bend	trans	64.2	27.3	-179.1	-52.5	-16.5	0	0	0	118.9	W437 N458	W437-N456 HydrophobicContact CE3-CB 4.42Å; W437-N456 WeakPolarHBondContact CZ3-O 3.31Å; N456-N458 PolarHBondContact O-N 3.43Å
457	P	56.1	Low	69.3	Low	34 Å²	34	78.4 Å²	78.4	22%	0.221	42%	0.417	C	S	.	.			trans	-72	122.6	-169.2	30.4	-36.1	0	0	0	114.7	S454 A455	S454-P457 WeakPolarHBondContact O-CD 3.45Å; A455-P457 VanDerWaalsContact C-CD 3.4Å
458	N	52.7	Low	70.2	Confident	107 Å²	107	77.9 Å²	77.9	57%	0.572	42%	0.418	S	S	*	.			trans	-129.4	69.3	164	-92.4	-24.2	0	0	0	110.6	W437 N456	W437-N458 HydrophobicContact CD2-CB 4.33Å; W437-N458 HydrophobicContact CZ2-CB 4.16Å; W437-N458 VanDerWaalsContact CZ2-O 3.25Å; W437-N458 WeakPolarHBondContact CZ2-O 3.47Å; W437-N458 PolarHBondContact NE1-O 3.37Å; N456-N458 PolarHBondContact O-N 3.43Å
459	G	51.4	Low	71.1	Confident	19 Å²	19	69.6 Å²	69.6	20%	0.196	38%	0.383	C	S	.	.	S	Bend	trans	-88.5	-154.8	173.8	0	0	0	0	0	113.2	P462	G459-P462 VanDerWaalsContact O-CD 3.31Å; G459-P462 WeakPolarHBondContact O-CD 3.32Å
460	D	53.7	Low	72.4	Confident	139 Å²	139	68.8 Å²	68.8	74%	0.743	38%	0.384	S	S	*	.	S	Bend	trans	-75.5	129	164.3	-64.3	-48.7	0	0	0	109.5	H434	H434-D460 IonicContact CD2-OD2 2.8Å
461	E	66.2	Low	73.4	Confident	190 Å²	190	72 Å²	72	89%	0.888	39%	0.393	S	S	*	.	S	Bend	trans	43.2	56.3	-174.8	-59.9	-169.1	173.1	0	0	116.4
462	P	75.8	Confident	74.3	Confident	55 Å²	55	70.7 Å²	70.7	36%	0.357	40%	0.395	S	S	.	.			trans	-83.3	127.9	-175.1	34.3	-31	0	0	0	112	G459	G459-P462 VanDerWaalsContact O-CD 3.31Å; G459-P462 WeakPolarHBondContact O-CD 3.32Å
463	V	81.9	Confident	75.3	Confident	104 Å²	104	70.1 Å²	70.1	63%	0.63	40%	0.397	S	S	*	.			trans	-94.3	103.3	174.7	-177.1	0	0	0	0	110.4	L465	V463-L465 HydrophobicContact CG1-CD2 4.41Å; V463-L465 PolarHBondContact O-N 3.44Å; V463-L465 VanDerWaalsContact O-N 3.14Å
464	C	86.2	Confident	76.3	Confident	52 Å²	52	68.9 Å²	68.9	35%	0.351	39%	0.39	S	S	.	.			trans	-76.3	96.5	177.5	-178.3	0	0	0	0	112.1	T466 C467	C464-T466 PolarHBondContact O-N 3.02Å; C464-T466 VanDerWaalsContact O-N 3.15Å; C464-C467 HydrophobicContact CB-CB 3.77Å; C464-C467 WeakPolarHBondContact CB-SG 3.36Å; C464-C467 PolarHBondContact O-N 2.95Å; C464-C467 WeakPolarHBondContact SG-CB 3.37Å; C464-C467 PolarHBondContact SG-N 2.64Å; C464-C467 CovalentContact SG-SG 2.03Å; C464-C467 PolarHBondContact SG-SG 3.17Å
465	L	87.4	Confident	77.4	Confident	50 Å²	50	70.4 Å²	70.4	26%	0.262	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.4	-177	-60.6	178.8	0	0	0	114.7	V453 V463 F481 Y488	V453-L465 HydrophobicContact CG1-CD1 4.11Å; V453-L465 HydrophobicContact CG2-CD1 4.46Å; V463-L465 HydrophobicContact CG1-CD2 4.41Å; V463-L465 PolarHBondContact O-N 3.44Å; V463-L465 VanDerWaalsContact O-N 3.14Å; L465-F481 HydrophobicContact CD1-CZ 4.21Å; L465-Y488 HydrophobicContact CD1-CE1 4.24Å
466	T	89	Confident	78.8	Confident	35 Å²	35	72.9 Å²	72.9	22%	0.215	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-7.3	-172.9	53	0	0	0	0	114.3	C464 N468 L469 V477 L490	C464-T466 PolarHBondContact O-N 3.02Å; C464-T466 VanDerWaalsContact O-N 3.15Å; T466-N468 VanDerWaalsContact C-N 3.27Å; T466-N468 PolarHBondContact O-N 3.4Å; T466-N468 VanDerWaalsContact O-N 3.16Å; T466-L469 HydrophobicContact CG2-CD1 4.38Å; T466-L469 VanDerWaalsContact O-CB 3.31Å; T466-L469 WeakPolarHBondContact O-CB 3.45Å; T466-L469 PolarHBondContact O-N 2.99Å; T466-V477 HydrophobicContact CG2-CG2 4.36Å; T466-L490 HydrophobicContact CG2-CD1 3.79Å; T466-L490 HydrophobicContact CG2-CD2 4.01Å
467	C	87.5	Confident	80.3	Confident	65 Å²	65	70.1 Å²	70.1	44%	0.439	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-61.6	-31.1	-170.7	-79	0	0	0	0	113.7	C464 L469 T470	C464-C467 HydrophobicContact CB-CB 3.77Å; C464-C467 WeakPolarHBondContact CB-SG 3.36Å; C464-C467 PolarHBondContact O-N 2.95Å; C464-C467 WeakPolarHBondContact SG-CB 3.37Å; C464-C467 PolarHBondContact SG-N 2.64Å; C464-C467 CovalentContact SG-SG 2.03Å; C464-C467 PolarHBondContact SG-SG 3.17Å; C467-L469 VanDerWaalsContact C-N 3.27Å; C467-L469 PolarHBondContact O-N 3.43Å; C467-T470 WeakPolarHBondContact O-CG2 3.21Å; C467-T470 PolarHBondContact O-N 3.4Å; C467-T470 PolarHBondContact O-OG1 2.77Å
468	N	87.7	Confident	82	Confident	70 Å²	70	70.6 Å²	70.6	37%	0.374	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-71.5	-18.8	174.6	-84.8	-19.6	0	0	0	113.8	T466 K471 E508	T466-N468 VanDerWaalsContact C-N 3.27Å; T466-N468 PolarHBondContact O-N 3.4Å; T466-N468 VanDerWaalsContact O-N 3.16Å; N468-K471 PolarHBondContact OD1-NZ 3.13Å; N468-E508 PolarHBondContact ND2-OE1 2.83Å; N468-E508 PolarHBondContact ND2-OE2 2.89Å
469	L	89.2	Confident	83.9	Confident	18 Å²	18	67 Å²	67	9%	0.094	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-79.7	-16.5	178	-52.5	176.8	0	0	0	112.8	T466 C467 K471 L472 C474 L490 F503	T466-L469 HydrophobicContact CG2-CD1 4.38Å; T466-L469 VanDerWaalsContact O-CB 3.31Å; T466-L469 WeakPolarHBondContact O-CB 3.45Å; T466-L469 PolarHBondContact O-N 2.99Å; C467-L469 VanDerWaalsContact C-N 3.27Å; C467-L469 PolarHBondContact O-N 3.43Å; L469-K471 PolarHBondContact O-N 2.79Å; L469-L472 HydrophobicContact CD2-CD1 4.23Å; L469-L472 WeakPolarHBondContact O-CA 3.39Å; L469-L472 WeakPolarHBondContact O-CB 3.11Å; L469-L472 PolarHBondContact O-N 3.34Å; L469-C474 CarbonylContact C-O 3.11Å; L469-C474 HydrophobicContact CB-CB 3.97Å; L469-C474 WeakPolarHBondContact O-CB 3.31Å; L469-C474 PolarHBondContact O-N 2.83Å; L469-C474 VanDerWaalsContact O-N 3.1Å; L469-L490 HydrophobicContact CD1-CD2 3.34Å; L469-F503 HydrophobicContact CD1-CE2 4.41Å; L469-F503 HydrophobicContact CD1-CZ 3.93Å; L469-F503 HydrophobicContact CD2-CZ 4.28Å
470	T	86.9	Confident	85.9	Confident	71 Å²	71	69.5 Å²	69.5	44%	0.436	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-55.6	-37.7	173.5	60.3	0	0	0	0	111.9	C467 L472 G473 C474	C467-T470 WeakPolarHBondContact O-CG2 3.21Å; C467-T470 PolarHBondContact O-N 3.4Å; C467-T470 PolarHBondContact O-OG1 2.77Å; T470-L472 PolarHBondContact O-N 2.85Å; T470-L472 VanDerWaalsContact O-N 3.16Å; T470-G473 PolarHBondContact O-N 3.45Å; T470-C474 WeakPolarHBondContact CA-O 3.48Å; T470-C474 PolarHBondContact N-O 3Å
471	K	87	Confident	87.7	Confident	161 Å²	161	63.9 Å²	63.9	70%	0.7	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-63	-16.6	175.1	-61.6	165.4	-176.2	159.4	0	113.7	N468 L469	N468-K471 PolarHBondContact OD1-NZ 3.13Å; L469-K471 PolarHBondContact O-N 2.79Å
472	L	86.6	Confident	89	Confident	103 Å²	103	55.1 Å²	55.1	54%	0.539	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-102.3	16.6	175.1	-55	177.6	0	0	0	111.8	L469 T470	L469-L472 HydrophobicContact CD2-CD1 4.23Å; L469-L472 WeakPolarHBondContact O-CA 3.39Å; L469-L472 WeakPolarHBondContact O-CB 3.11Å; L469-L472 PolarHBondContact O-N 3.34Å; T470-L472 PolarHBondContact O-N 2.85Å; T470-L472 VanDerWaalsContact O-N 3.16Å
473	G	90.8	Very high	89.4	Confident	24 Å²	24	59 Å²	59	25%	0.247	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	30	-175.1	0	0	0	0	0	113.4	T470 G494 P495 D496	T470-G473 PolarHBondContact O-N 3.45Å; G473-G494 CarbonylContact O-C 3.49Å; G473-P495 WeakPolarHBondContact O-CD 3.29Å; G473-D496 WeakPolarHBondContact O-CB 3.47Å; G473-D496 PolarHBondContact O-N 2.74Å
474	C	93	Very high	89.6	Confident	6 Å²	6	57.4 Å²	57.4	4%	0.041	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	86.8	-178.9	-160.8	0	0	0	0	111.7	L469 T470 C492	L469-C474 CarbonylContact C-O 3.11Å; L469-C474 HydrophobicContact CB-CB 3.97Å; L469-C474 WeakPolarHBondContact O-CB 3.31Å; L469-C474 PolarHBondContact O-N 2.83Å; L469-C474 VanDerWaalsContact O-N 3.1Å; T470-C474 WeakPolarHBondContact CA-O 3.48Å; T470-C474 PolarHBondContact N-O 3Å; C474-C492 VanDerWaalsContact CA-SG 3.55Å; C474-C492 HydrophobicContact CB-CB 4.39Å; C474-C492 WeakPolarHBondContact CB-SG 3.32Å; C474-C492 WeakPolarHBondContact SG-CB 3.33Å; C474-C492 CovalentContact SG-SG 2.03Å; C474-C492 PolarHBondContact SG-SG 3.15Å
475	S	91.8	Very high	89.7	Confident	42 Å²	42	55 Å²	55	29%	0.294	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-38.3	177.1	62.2	0	0	0	0	112.1	G494 P495 E581	S475-G494 PolarHBondContact N-O 3Å; S475-P495 WeakPolarHBondContact OG-CD 3.49Å; S475-E581 VanDerWaalsContact CB-OE2 3.31Å; S475-E581 WeakPolarHBondContact CB-OE2 3.46Å; S475-E581 WeakPolarHBondContact OG-CB 3.43Å; S475-E581 PolarHBondContact OG-OE2 2.83Å
476	Y	92.6	Very high	89.8	Confident	82 Å²	82	53.7 Å²	53.7	32%	0.322	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	115	176.3	-161.3	-91	0	0	0	109.9	Q493 G494 L580 R582	Y476-Q493 HydrophobicContact CD1-CB 3.89Å; Y476-Q493 WeakPolarHBondContact O-CA 3.42Å; Y476-Q493 PolarHBondContact O-N 2.93Å; Y476-G494 PolarHBondContact N-O 2.94Å; Y476-G494 PolarHBondContact O-N 3.23Å; Y476-L580 HydrophobicContact CE2-CB 4.39Å; Y476-L580 HydrophobicContact CE2-CD1 4.2Å; Y476-L580 HydrophobicContact CE2-CD2 3.99Å; Y476-L580 HydrophobicContact CE2-CG 4.44Å; Y476-R582 HydrophobicContact CD1-CB 3.58Å; Y476-R582 HydrophobicContact CD1-CG 3.8Å; Y476-R582 HydrophobicContact CE1-CB 3.91Å; Y476-R582 HydrophobicContact CE1-CG 4.02Å; Y476-R582 HydrophobicContact CG-CB 3.92Å
477	V	92.8	Very high	89.9	Confident	45 Å²	45	53.3 Å²	53.3	27%	0.273	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	153.4	-167.6	-64.2	0	0	0	0	112.9	T466 L490 H491	T466-V477 HydrophobicContact CG2-CG2 4.36Å; V477-L490 HydrophobicContact CB-CD1 4.01Å; V477-L490 HydrophobicContact CG1-CD1 4.34Å; V477-L490 HydrophobicContact CG2-CD1 4.41Å; V477-H491 WeakPolarHBondContact CA-O 3.26Å
478	A	92.2	Very high	90.3	Very high	44 Å²	44	50.4 Å²	50.4	36%	0.364	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	150.7	162.4	0	0	0	0	0	109.9	H491	A478-H491 HydrophobicContact CB-CB 4.36Å; A478-H491 PolarHBondContact N-O 3.41Å; A478-H491 PolarHBondContact O-N 2.91Å
479	A	92.3	Very high	90.7	Very high	33 Å²	33	47.1 Å²	47.1	27%	0.273	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.7	-178.5	0	0	0	0	0	111.8	F481 I489 L490	A479-F481 HydrophobicContact CB-CD2 4.23Å; A479-F481 HydrophobicContact CB-CE2 3.82Å; A479-I489 WeakPolarHBondContact CA-O 3Å; A479-L490 HydrophobicContact CB-CD1 4.21Å
480	L	92.8	Very high	90.9	Very high	71 Å²	71	46.6 Å²	46.6	37%	0.372	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	100.1	173.3	-178.7	69.4	0	0	0	109.1	P65 W67 I489	P65-L480 WeakPolarHBondContact O-CD2 3.34Å; W67-L480 PolarHBondContact NE1-O 2.9Å; L480-I489 PolarHBondContact N-O 2.99Å; L480-I489 PolarHBondContact O-N 2.87Å
481	F	92.6	Very high	91.3	Very high	21 Å²	21	45 Å²	45	9%	0.092	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	149.3	179.6	-81.9	-98.7	0	0	0	112.9	W67 V443 V453 L465 A479 Y488 V505	W67-F481 VanDerWaalsContact NE1-C 3.31Å; W67-F481 PolarHBondContact NE1-O 2.82Å; V443-F481 HydrophobicContact CB-CD2 4.15Å; V443-F481 HydrophobicContact CB-CE2 4.31Å; V443-F481 HydrophobicContact CG2-CD2 3.99Å; V443-F481 HydrophobicContact CG2-CE2 3.67Å; V443-F481 WeakPolarHBondContact O-CD2 3.31Å; V453-F481 HydrophobicContact CB-CE1 4.33Å; V453-F481 HydrophobicContact CB-CE2 4.21Å; V453-F481 HydrophobicContact CB-CZ 3.89Å; V453-F481 HydrophobicContact CG1-CE2 3.93Å; V453-F481 HydrophobicContact CG1-CZ 3.65Å; V453-F481 HydrophobicContact CG2-CE1 3.93Å; V453-F481 HydrophobicContact CG2-CZ 3.89Å; L465-F481 HydrophobicContact CD1-CZ 4.21Å; A479-F481 HydrophobicContact CB-CD2 4.23Å; A479-F481 HydrophobicContact CB-CE2 3.82Å; F481-Y488 AromaticContact CE1-CD1 3.94Å; F481-Y488 HydrophobicContact CE1-CD1 3.94Å; F481-Y488 HydrophobicContact CE1-CG 4.01Å; F481-Y488 HydrophobicContact CE2-CG 4.29Å; F481-Y488 HydrophobicContact CZ-CD1 4.02Å; F481-Y488 HydrophobicContact CZ-CD2 4.42Å; F481-Y488 AromaticContact CZ-CG 3.81Å; F481-Y488 HydrophobicContact CZ-CG 3.81Å; F481-V505 HydrophobicContact CE1-CG2 3.85Å
482	S	92	Very high	91.7	Very high	6 Å²	6	37.5 Å²	37.5	4%	0.042	21%	0.214	C	C	.	.			trans	-64.4	162	167.9	62.5	0	0	0	0	111.6	S70 D484 G485 G486 H487	S70-S482 VanDerWaalsContact O-CB 3.26Å; S70-S482 WeakPolarHBondContact O-CB 3.4Å; S482-D484 PolarHBondContact O-N 3.03Å; S482-D484 VanDerWaalsContact O-N 3.12Å; S482-D484 PolarHBondContact OG-OD1 3.32Å; S482-G485 PolarHBondContact O-N 2.74Å; S482-G486 PolarHBondContact OG-N 3.07Å; S482-H487 PolarHBondContact N-O 3.04Å; S482-H487 PolarHBondContact OG-N 2.77Å; S482-H487 PolarHBondContact OG-O 3.4Å; S482-H487 VanDerWaalsContact OG-O 3.11Å
483	H	85.1	Confident	92.1	Very high	135 Å²	135	35.5 Å²	35.5	63%	0.625	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.6	-175.6	-68.1	95.3	0	0	0	115	S69	S69-H483 VanDerWaalsContact C-ND1 3.31Å; S69-H483 PolarHBondContact O-ND1 2.83Å
484	D	85.7	Confident	92.2	Very high	71 Å²	71	34.4 Å²	34.4	38%	0.38	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-4.1	175.3	66.1	-10.6	0	0	0	114.2	S70 S482 G486	S70-D484 VanDerWaalsContact CB-CG 3.46Å; S70-D484 PolarHBondContact OG-N 3.34Å; S482-D484 PolarHBondContact O-N 3.03Å; S482-D484 VanDerWaalsContact O-N 3.12Å; S482-D484 PolarHBondContact OG-OD1 3.32Å; D484-G486 VanDerWaalsContact C-N 3.28Å; D484-G486 PolarHBondContact O-N 3.2Å; D484-G486 PolarHBondContact OD1-N 2.98Å
485	G	87.9	Confident	92.2	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.031	21%	0.207	C	C	.	.	S	Bend	trans	73	8.1	-174.5	0	0	0	0	0	115.7	S482 V505	S482-G485 PolarHBondContact O-N 2.74Å; G485-V505 WeakPolarHBondContact O-CG2 3.47Å
486	G	89.3	Confident	92.3	Very high	21 Å²	21	37 Å²	37	22%	0.216	20%	0.203	C	C	.	.	S	Bend	trans	-76.9	-29.5	-179.8	0	0	0	0	0	114.5	S482 D484 V505	S482-G486 PolarHBondContact OG-N 3.07Å; D484-G486 VanDerWaalsContact C-N 3.28Å; D484-G486 PolarHBondContact O-N 3.2Å; D484-G486 PolarHBondContact OD1-N 2.98Å; G486-V505 PolarHBondContact O-N 2.81Å
487	H	92.8	Very high	92.4	Very high	27 Å²	27	33.7 Å²	33.7	13%	0.125	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	156.5	-178.6	-49.4	107.4	0	0	0	110.6	W67 S70 I87 S482 L502 F503	W67-H487 HydrophobicContact CH2-CB 3.64Å; W67-H487 HydrophobicContact CZ2-CB 4.13Å; S70-H487 PolarHBondContact O-ND1 3.24Å; S70-H487 VanDerWaalsContact O-ND1 3.11Å; I87-H487 HydrophobicContact CD1-CB 4.17Å; S482-H487 PolarHBondContact N-O 3.04Å; S482-H487 PolarHBondContact OG-N 2.77Å; S482-H487 PolarHBondContact OG-O 3.4Å; S482-H487 VanDerWaalsContact OG-O 3.11Å; H487-L502 HydrophobicContact CB-CD1 4.48Å; H487-F503 WeakPolarHBondContact CA-O 3.26Å
488	Y	94.2	Very high	92.5	Very high	5 Å²	5	32 Å²	32	2%	0.02	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	143	173.9	63.1	-78.4	0	0	0	112.4	L465 F481 L490 F503 V505	L465-Y488 HydrophobicContact CD1-CE1 4.24Å; F481-Y488 AromaticContact CE1-CD1 3.94Å; F481-Y488 HydrophobicContact CE1-CD1 3.94Å; F481-Y488 HydrophobicContact CE1-CG 4.01Å; F481-Y488 HydrophobicContact CE2-CG 4.29Å; F481-Y488 HydrophobicContact CZ-CD1 4.02Å; F481-Y488 HydrophobicContact CZ-CD2 4.42Å; F481-Y488 AromaticContact CZ-CG 3.81Å; F481-Y488 HydrophobicContact CZ-CG 3.81Å; Y488-L490 HydrophobicContact CD2-CB 4.15Å; Y488-L490 HydrophobicContact CD2-CD1 4.44Å; Y488-L490 HydrophobicContact CE2-CB 4.14Å; Y488-L490 HydrophobicContact CE2-CD1 4.27Å; Y488-F503 HydrophobicContact CD1-CB 3.99Å; Y488-F503 HydrophobicContact CD2-CB 4.25Å; Y488-F503 HydrophobicContact CD2-CD2 4.48Å; Y488-F503 HydrophobicContact CE1-CB 3.45Å; Y488-F503 VanDerWaalsContact CE1-CB 3.45Å; Y488-F503 HydrophobicContact CE1-CG 4.41Å; Y488-F503 HydrophobicContact CE2-CB 3.76Å; Y488-F503 AromaticContact CE2-CD2 3.87Å; Y488-F503 HydrophobicContact CE2-CD2 3.87Å; Y488-F503 HydrophobicContact CE2-CG 4Å; Y488-F503 HydrophobicContact CG-CB 4.36Å; Y488-F503 AromaticContact CZ-CG 3.8Å; Y488-F503 PolarHBondContact N-O 3.21Å; Y488-F503 PolarHBondContact O-N 3.47Å; Y488-V505 HydrophobicContact CD1-CG2 3.91Å; Y488-V505 HydrophobicContact CE1-CG2 4.17Å
489	I	96.1	Very high	92.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.5	169.9	-62.3	169.5	0	0	0	106.9	P65 W67 F73 A479 L480 V500 L502	P65-I489 HydrophobicContact CB-CD1 3.81Å; P65-I489 HydrophobicContact CB-CG2 4.34Å; P65-I489 HydrophobicContact CG-CG2 4.07Å; W67-I489 HydrophobicContact CZ2-CD1 3.96Å; W67-I489 HydrophobicContact CZ2-CG1 3.78Å; F73-I489 HydrophobicContact CB-CD1 4.19Å; F73-I489 HydrophobicContact CD1-CD1 3.9Å; F73-I489 HydrophobicContact CD2-CD1 3.57Å; F73-I489 HydrophobicContact CE1-CD1 4.12Å; F73-I489 HydrophobicContact CE2-CD1 3.81Å; F73-I489 HydrophobicContact CG-CD1 3.63Å; F73-I489 HydrophobicContact CZ-CD1 4.08Å; A479-I489 WeakPolarHBondContact CA-O 3Å; L480-I489 PolarHBondContact N-O 2.99Å; L480-I489 PolarHBondContact O-N 2.87Å; I489-V500 HydrophobicContact CG2-CG1 3.47Å; I489-V500 VanDerWaalsContact CG2-CG1 3.47Å; I489-L502 HydrophobicContact CG1-CD1 3.99Å
490	L	95.1	Very high	92.9	Very high	7 Å²	7	28.7 Å²	28.7	4%	0.037	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	122.2	179.3	-169.5	74.3	0	0	0	109.5	T466 L469 V477 A479 Y488 V500 R501 F503	T466-L490 HydrophobicContact CG2-CD1 3.79Å; T466-L490 HydrophobicContact CG2-CD2 4.01Å; L469-L490 HydrophobicContact CD1-CD2 3.34Å; V477-L490 HydrophobicContact CB-CD1 4.01Å; V477-L490 HydrophobicContact CG1-CD1 4.34Å; V477-L490 HydrophobicContact CG2-CD1 4.41Å; A479-L490 HydrophobicContact CB-CD1 4.21Å; Y488-L490 HydrophobicContact CD2-CB 4.15Å; Y488-L490 HydrophobicContact CD2-CD1 4.44Å; Y488-L490 HydrophobicContact CE2-CB 4.14Å; Y488-L490 HydrophobicContact CE2-CD1 4.27Å; L490-V500 WeakPolarHBondContact O-CA 3.16Å; L490-R501 PolarHBondContact N-O 3.04Å; L490-R501 PolarHBondContact O-N 2.95Å; L490-F503 HydrophobicContact CB-CD2 3.94Å; L490-F503 HydrophobicContact CB-CE2 3.88Å; L490-F503 HydrophobicContact CD2-CD2 4.47Å; L490-F503 HydrophobicContact CD2-CE2 3.82Å; L490-F503 HydrophobicContact CD2-CZ 4.46Å
491	H	95.4	Very high	93	Very high	37 Å²	37	28 Å²	28	17%	0.171	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	106.7	165.6	-68.9	-105	0	0	0	108.2	P65 V477 A478 V500	P65-H491 WeakPolarHBondContact CG-NE2 3.41Å; V477-H491 WeakPolarHBondContact CA-O 3.26Å; A478-H491 HydrophobicContact CB-CB 4.36Å; A478-H491 PolarHBondContact N-O 3.41Å; A478-H491 PolarHBondContact O-N 2.91Å; H491-V500 WeakPolarHBondContact ND1-CG2 3.28Å
492	C	95.3	Very high	93.2	Very high	5 Å²	5	27 Å²	27	3%	0.034	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	133.4	164	-163.3	0	0	0	0	109.2	C474 P498 S499	C474-C492 VanDerWaalsContact CA-SG 3.55Å; C474-C492 HydrophobicContact CB-CB 4.39Å; C474-C492 WeakPolarHBondContact CB-SG 3.32Å; C474-C492 WeakPolarHBondContact SG-CB 3.33Å; C474-C492 CovalentContact SG-SG 2.03Å; C474-C492 PolarHBondContact SG-SG 3.15Å; C492-P498 WeakPolarHBondContact O-CA 3.38Å; C492-P498 WeakPolarHBondContact O-CB 3.49Å; C492-S499 WeakPolarHBondContact CB-O 3.27Å; C492-S499 PolarHBondContact N-O 2.94Å; C492-S499 PolarHBondContact O-N 2.94Å
493	Q	94.6	Very high	93.3	Very high	61 Å²	61	26.8 Å²	26.8	29%	0.285	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	0.7	-175.6	-70.6	-173.1	-28.3	0	0	113.8	Y476 R582 L583	Y476-Q493 HydrophobicContact CD1-CB 3.89Å; Y476-Q493 WeakPolarHBondContact O-CA 3.42Å; Y476-Q493 PolarHBondContact O-N 2.93Å; Q493-R582 HydrophobicContact CB-CG 4.3Å; Q493-R582 WeakPolarHBondContact O-CG 3.38Å; Q493-L583 PolarHBondContact O-N 2.91Å
494	G	93.7	Very high	93.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.1	167.5	170.9	0	0	0	0	0	114.7	G473 S475 Y476 D496 E581	G473-G494 CarbonylContact O-C 3.49Å; S475-G494 PolarHBondContact N-O 3Å; Y476-G494 PolarHBondContact N-O 2.94Å; Y476-G494 PolarHBondContact O-N 3.23Å; G494-D496 WeakPolarHBondContact CA-O 3.49Å; G494-E581 CarbonylContact C-O 3.5Å; G494-E581 WeakPolarHBondContact CA-O 3.35Å
495	P	93	Very high	93.7	Very high	59 Å²	59	20.3 Å²	20.3	38%	0.383	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-76.8	-17.1	0.5	-19.7	34.7	0	0	0	116	G473 S475 E581	G473-P495 WeakPolarHBondContact O-CD 3.29Å; S475-P495 WeakPolarHBondContact OG-CD 3.49Å; P495-E581 WeakPolarHBondContact CA-O 3.5Å; P495-E581 HydrophobicContact CG-CB 4.11Å; P495-E581 HydrophobicContact CG-CG 4.36Å
496	D	93.3	Very high	93.5	Very high	43 Å²	43	23.6 Å²	23.6	23%	0.23	15%	0.147	C	C	.	.	S	Bend	trans	-69.1	165	172.1	-174.4	38.7	0	0	0	111.4	G473 G494 R521	G473-D496 WeakPolarHBondContact O-CB 3.47Å; G473-D496 PolarHBondContact O-N 2.74Å; G494-D496 WeakPolarHBondContact CA-O 3.49Å; D496-R521 IonicContact OD1-CZ 2.71Å; D496-R521 IonicContact OD1-NH1 2.75Å; D496-R521 PolarHBondContact OD1-NH1 2.9Å; D496-R521 IonicContact OD1-NH2 3.51Å; D496-R521 PolarHBondContact OD1-NH2 2.83Å; D496-R521 IonicContact OD2-CZ 3.99Å; D496-R521 IonicContact OD2-NH1 3.56Å; D496-R521 PolarHBondContact OD2-NH1 2.81Å; D496-R521 IonicContact OD2-NH2 2.76Å; D496-R521 PolarHBondContact OD2-NH2 2.97Å
497	I	94.2	Very high	93.4	Very high	14 Å²	14	24.5 Å²	24.5	7%	0.072	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-57.8	131.1	179.8	-58.9	-178.5	0	0	0	110.2	S499 N517 L520 R521 F524 L583	I497-S499 PolarHBondContact O-N 2.91Å; I497-N517 HydrophobicContact CG2-CB 4.01Å; I497-L520 HydrophobicContact CG2-CB 4.43Å; I497-L520 HydrophobicContact CG2-CD2 3.72Å; I497-L520 HydrophobicContact CG2-CG 4.05Å; I497-R521 HydrophobicContact CD1-CB 3.9Å; I497-R521 HydrophobicContact CD1-CG 3.96Å; I497-F524 HydrophobicContact CD1-CB 3.8Å; I497-F524 HydrophobicContact CD1-CD2 3.58Å; I497-F524 HydrophobicContact CD1-CG 4.03Å; I497-F524 HydrophobicContact CG1-CD2 3.84Å; I497-F524 HydrophobicContact CG1-CE2 4.44Å; I497-L583 HydrophobicContact CG1-CD2 4.15Å
498	P	94.9	Very high	93.1	Very high	10 Å²	10	29.6 Å²	29.6	7%	0.065	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-50	137.8	-175.8	-31.7	35.1	0	0	0	113.7	E60 C492 N517	E60-P498 HydrophobicContact CG-CB 4.14Å; E60-P498 HydrophobicContact CG-CG 4.43Å; C492-P498 WeakPolarHBondContact O-CA 3.38Å; C492-P498 WeakPolarHBondContact O-CB 3.49Å; P498-N517 WeakPolarHBondContact O-CB 3.35Å; P498-N517 PolarHBondContact O-ND2 3.46Å
499	S	95.6	Very high	92.9	Very high	2 Å²	2	37 Å²	37	1%	0.014	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	149.9	176	50.8	0	0	0	0	110.6	C492 I497 R501 E515	C492-S499 WeakPolarHBondContact CB-O 3.27Å; C492-S499 PolarHBondContact N-O 2.94Å; C492-S499 PolarHBondContact O-N 2.94Å; I497-S499 PolarHBondContact O-N 2.91Å; S499-R501 PolarHBondContact OG-NE 3.48Å; S499-R501 PolarHBondContact OG-NH2 3.06Å; S499-E515 CarbonylContact C-O 3.52Å; S499-E515 WeakPolarHBondContact CA-O 3.35Å; S499-E515 WeakPolarHBondContact CB-O 3.47Å
500	V	96.9	Very high	92.7	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.024	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.7	-172.5	-171.3	0	0	0	0	108.9	P63 I489 L490 H491 V514 E515	P63-V500 HydrophobicContact CG-CB 4.06Å; P63-V500 HydrophobicContact CG-CG1 4.22Å; P63-V500 HydrophobicContact CG-CG2 3.8Å; I489-V500 HydrophobicContact CG2-CG1 3.47Å; I489-V500 VanDerWaalsContact CG2-CG1 3.47Å; L490-V500 WeakPolarHBondContact O-CA 3.16Å; H491-V500 WeakPolarHBondContact ND1-CG2 3.28Å; V500-V514 HydrophobicContact CB-CB 4.05Å; V500-V514 HydrophobicContact CG1-CB 3.9Å; V500-V514 HydrophobicContact CG1-CG1 4.2Å; V500-V514 HydrophobicContact CG1-CG2 4.31Å; V500-V514 WeakPolarHBondContact O-CA 3.36Å; V500-V514 WeakPolarHBondContact O-CB 3.29Å; V500-V514 PolarHBondContact O-N 3.18Å; V500-E515 HydrophobicContact CB-CB 4.29Å; V500-E515 HydrophobicContact CG2-CB 4.41Å; V500-E515 PolarHBondContact N-O 2.89Å; V500-E515 PolarHBondContact O-N 3.1Å; V500-E515 VanDerWaalsContact O-N 3.09Å
501	R	96.2	Very high	92.8	Very high	56 Å²	56	40.6 Å²	40.6	21%	0.211	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	140.1	-170.6	-53.6	179.5	-158.1	177.3	6.4	110.9	L490 S499 F503 P510	L490-R501 PolarHBondContact N-O 3.04Å; L490-R501 PolarHBondContact O-N 2.95Å; S499-R501 PolarHBondContact OG-NE 3.48Å; S499-R501 PolarHBondContact OG-NH2 3.06Å; R501-F503 HydrophobicContact CB-CD2 4.36Å; R501-F503 HydrophobicContact CB-CE2 3.74Å; R501-F503 HydrophobicContact CB-CZ 4.4Å; R501-P510 HydrophobicContact CB-CB 4.04Å
502	L	96.7	Very high	92.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	135	174.3	176.7	71	0	0	0	110.1	W67 F73 I87 T92 H487 I489 P510 L511 F512	W67-L502 HydrophobicContact CH2-CD1 3.85Å; W67-L502 HydrophobicContact CZ2-CD1 4.23Å; F73-L502 HydrophobicContact CE1-CD1 3.99Å; F73-L502 HydrophobicContact CE1-CD2 4.05Å; F73-L502 HydrophobicContact CE1-CG 4.45Å; I87-L502 HydrophobicContact CD1-CD1 3.84Å; I87-L502 HydrophobicContact CD1-CD2 3.76Å; I87-L502 HydrophobicContact CD1-CG 4.36Å; I87-L502 HydrophobicContact CG1-CD2 3.92Å; T92-L502 HydrophobicContact CG2-CD2 3.92Å; H487-L502 HydrophobicContact CB-CD1 4.48Å; I489-L502 HydrophobicContact CG1-CD1 3.99Å; L502-P510 CarbonylContact O-C 3.56Å; L502-P510 WeakPolarHBondContact O-CA 3.34Å; L502-P510 WeakPolarHBondContact O-CB 3.34Å; L502-L511 HydrophobicContact CD2-CB 3.96Å; L502-L511 HydrophobicContact CD2-CD1 4.47Å; L502-L511 HydrophobicContact CG-CB 4.27Å; L502-L511 PolarHBondContact O-N 3.24Å; L502-F512 HydrophobicContact CB-CB 3.95Å; L502-F512 HydrophobicContact CD2-CB 3.92Å; L502-F512 PolarHBondContact N-O 3.04Å
503	F	94.2	Very high	92.8	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.009	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	155	172.6	-68	-95.2	0	0	0	111.1	L469 H487 Y488 L490 R501 P510	L469-F503 HydrophobicContact CD1-CE2 4.41Å; L469-F503 HydrophobicContact CD1-CZ 3.93Å; L469-F503 HydrophobicContact CD2-CZ 4.28Å; H487-F503 WeakPolarHBondContact CA-O 3.26Å; Y488-F503 HydrophobicContact CD1-CB 3.99Å; Y488-F503 HydrophobicContact CD2-CB 4.25Å; Y488-F503 HydrophobicContact CD2-CD2 4.48Å; Y488-F503 HydrophobicContact CE1-CB 3.45Å; Y488-F503 VanDerWaalsContact CE1-CB 3.45Å; Y488-F503 HydrophobicContact CE1-CG 4.41Å; Y488-F503 HydrophobicContact CE2-CB 3.76Å; Y488-F503 AromaticContact CE2-CD2 3.87Å; Y488-F503 HydrophobicContact CE2-CD2 3.87Å; Y488-F503 HydrophobicContact CE2-CG 4Å; Y488-F503 HydrophobicContact CG-CB 4.36Å; Y488-F503 AromaticContact CZ-CG 3.8Å; Y488-F503 PolarHBondContact N-O 3.21Å; Y488-F503 PolarHBondContact O-N 3.47Å; L490-F503 HydrophobicContact CB-CD2 3.94Å; L490-F503 HydrophobicContact CB-CE2 3.88Å; L490-F503 HydrophobicContact CD2-CD2 4.47Å; L490-F503 HydrophobicContact CD2-CE2 3.82Å; L490-F503 HydrophobicContact CD2-CZ 4.46Å; R501-F503 HydrophobicContact CB-CD2 4.36Å; R501-F503 HydrophobicContact CB-CE2 3.74Å; R501-F503 HydrophobicContact CB-CZ 4.4Å; F503-P510 HydrophobicContact CD1-CB 4.27Å; F503-P510 HydrophobicContact CE1-CB 3.94Å; F503-P510 HydrophobicContact CE1-CG 4.43Å; F503-P510 HydrophobicContact CE2-CB 4.3Å; F503-P510 HydrophobicContact CZ-CB 3.96Å; F503-P510 HydrophobicContact CZ-CG 4.48Å
504	S	91.7	Very high	92.9	Very high	31 Å²	31	42.5 Å²	42.5	22%	0.217	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	146.4	161.6	-171.6	0	0	0	0	109.6	G506 N507	S504-G506 PolarHBondContact O-N 2.95Å; S504-N507 PolarHBondContact O-N 3.03Å; S504-N507 VanDerWaalsContact O-N 3.13Å
505	V	87.7	Confident	93	Very high	39 Å²	39	43.2 Å²	43.2	24%	0.236	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	125.5	176.7	174	0	0	0	0	109.7	F481 G485 G486 Y488	F481-V505 HydrophobicContact CE1-CG2 3.85Å; G485-V505 WeakPolarHBondContact O-CG2 3.47Å; G486-V505 PolarHBondContact O-N 2.81Å; Y488-V505 HydrophobicContact CD1-CG2 3.91Å; Y488-V505 HydrophobicContact CE1-CG2 4.17Å
506	G	82.8	Confident	93.1	Very high	72 Å²	72	44 Å²	44	74%	0.742	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.5	-5.9	-175.3	0	0	0	0	0	115.3	S504	S504-G506 PolarHBondContact O-N 2.95Å
507	N	87.4	Confident	93.2	Very high	41 Å²	41	42.1 Å²	42.1	22%	0.219	23%	0.23	C	C	.	.			trans	-102.9	126.4	171.5	-163.9	-29	0	0	0	110.6	E90 S504 K509	E90-N507 PolarHBondContact OE1-ND2 3.15Å; S504-N507 PolarHBondContact O-N 3.03Å; S504-N507 VanDerWaalsContact O-N 3.13Å; N507-K509 VanDerWaalsContact C-N 3.33Å; N507-K509 PolarHBondContact OD1-N 2.83Å; N507-K509 PolarHBondContact OD1-O 3.25Å
508	E	85.3	Confident	93.1	Very high	134 Å²	134	43.5 Å²	43.5	63%	0.626	24%	0.241	S	C	*	.	S	Bend	trans	-77.9	-16.4	178	-62.6	-166	-168.5	0	0	113.7	N468	N468-E508 PolarHBondContact ND2-OE1 2.83Å; N468-E508 PolarHBondContact ND2-OE2 2.89Å
509	K	90.2	Very high	93	Very high	161 Å²	161	48.6 Å²	48.6	70%	0.7	27%	0.267	S	S	*	.	S	Bend	trans	-97.1	141.3	178.8	-67.7	178.6	-179.3	174.6	0	110.2	N507	N507-K509 VanDerWaalsContact C-N 3.33Å; N507-K509 PolarHBondContact OD1-N 2.83Å; N507-K509 PolarHBondContact OD1-O 3.25Å
510	P	93.6	Very high	92.9	Very high	52 Å²	52	49 Å²	49	34%	0.338	27%	0.269	S	S	.	.			trans	-68.6	136.6	173.1	29.7	-33.9	0	0	0	110	R501 L502 F503 F512	R501-P510 HydrophobicContact CB-CB 4.04Å; L502-P510 CarbonylContact O-C 3.56Å; L502-P510 WeakPolarHBondContact O-CA 3.34Å; L502-P510 WeakPolarHBondContact O-CB 3.34Å; F503-P510 HydrophobicContact CD1-CB 4.27Å; F503-P510 HydrophobicContact CE1-CB 3.94Å; F503-P510 HydrophobicContact CE1-CG 4.43Å; F503-P510 HydrophobicContact CE2-CB 4.3Å; F503-P510 HydrophobicContact CZ-CB 3.96Å; F503-P510 HydrophobicContact CZ-CG 4.48Å; P510-F512 VanDerWaalsContact C-N 3.33Å
511	L	95.3	Very high	92.8	Very high	30 Å²	30	52.1 Å²	52.1	16%	0.157	28%	0.28	C	S	.	.	S	Bend	trans	-72.1	-30.9	171.6	-63.9	-174	0	0	0	111.6	I87 E90 T92 L502	I87-L511 HydrophobicContact CG2-CD1 3.93Å; E90-L511 HydrophobicContact CB-CD2 4.25Å; T92-L511 HydrophobicContact CG2-CB 4.17Å; L502-L511 HydrophobicContact CD2-CB 3.96Å; L502-L511 HydrophobicContact CD2-CD1 4.47Å; L502-L511 HydrophobicContact CG-CB 4.27Å; L502-L511 PolarHBondContact O-N 3.24Å
512	F	95.4	Very high	92.7	Very high	40 Å²	40	55.5 Å²	55.5	18%	0.175	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	145.6	-177.1	-175	-103	0	0	0	110.8	F73 Y75 V85 T92 V94 L502 P510 V514	F73-F512 HydrophobicContact CZ-CD1 4.44Å; Y75-F512 AromaticContact CE1-CE1 3.82Å; Y75-F512 HydrophobicContact CE1-CE1 3.82Å; Y75-F512 HydrophobicContact CE1-CZ 4.22Å; Y75-F512 AromaticContact CZ-CE1 3.96Å; V85-F512 HydrophobicContact CG2-CD1 4.32Å; V85-F512 HydrophobicContact CG2-CE1 3.93Å; V85-F512 HydrophobicContact CG2-CZ 4.25Å; T92-F512 HydrophobicContact CG2-CB 4.29Å; V94-F512 HydrophobicContact CG2-CD2 4.39Å; V94-F512 HydrophobicContact CG2-CE2 3.65Å; V94-F512 HydrophobicContact CG2-CZ 4.04Å; L502-F512 HydrophobicContact CB-CB 3.95Å; L502-F512 HydrophobicContact CD2-CB 3.92Å; L502-F512 PolarHBondContact N-O 3.04Å; P510-F512 VanDerWaalsContact C-N 3.33Å; F512-V514 HydrophobicContact CD1-CG2 3.91Å; F512-V514 HydrophobicContact CE1-CG2 4.28Å
513	I	95.4	Very high	92.5	Very high	96 Å²	96	56.5 Å²	56.5	49%	0.492	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117.6	172.4	-60.2	174.8	0	0	0	107.1	D516	I513-D516 HydrophobicContact CG2-CB 4.11Å
514	V	96.8	Very high	92.5	Very high	7 Å²	7	57.3 Å²	57.3	4%	0.042	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-39.3	-177.4	-175.3	0	0	0	0	110.7	P63 F73 Y75 V500 F512	P63-V514 HydrophobicContact CB-CG1 3.86Å; P63-V514 HydrophobicContact CG-CG1 4Å; F73-V514 HydrophobicContact CE2-CG1 4.46Å; F73-V514 HydrophobicContact CE2-CG2 4.09Å; F73-V514 HydrophobicContact CZ-CG2 3.91Å; Y75-V514 HydrophobicContact CD1-CG1 4.16Å; Y75-V514 HydrophobicContact CD2-CG1 3.52Å; Y75-V514 HydrophobicContact CE2-CG1 3.97Å; Y75-V514 WeakPolarHBondContact CE2-O 3.37Å; Y75-V514 HydrophobicContact CG-CG1 3.63Å; V500-V514 HydrophobicContact CB-CB 4.05Å; V500-V514 HydrophobicContact CG1-CB 3.9Å; V500-V514 HydrophobicContact CG1-CG1 4.2Å; V500-V514 HydrophobicContact CG1-CG2 4.31Å; V500-V514 WeakPolarHBondContact O-CA 3.36Å; V500-V514 WeakPolarHBondContact O-CB 3.29Å; V500-V514 PolarHBondContact O-N 3.18Å; F512-V514 HydrophobicContact CD1-CG2 3.91Å; F512-V514 HydrophobicContact CE1-CG2 4.28Å
515	E	96.3	Very high	92.5	Very high	15 Å²	15	61.3 Å²	61.3	7%	0.07	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	135.3	174.5	-178.1	50.5	-92.6	0	0	109.4	A61 P63 S78 S499 V500 N517	A61-E515 HydrophobicContact CB-CG 3.77Å; A61-E515 WeakPolarHBondContact CB-OE2 3.36Å; P63-E515 HydrophobicContact CG-CB 3.97Å; S78-E515 WeakPolarHBondContact CB-OE2 3.19Å; S78-E515 PolarHBondContact OG-OE2 2.75Å; S499-E515 CarbonylContact C-O 3.52Å; S499-E515 WeakPolarHBondContact CA-O 3.35Å; S499-E515 WeakPolarHBondContact CB-O 3.47Å; V500-E515 HydrophobicContact CB-CB 4.29Å; V500-E515 HydrophobicContact CG2-CB 4.41Å; V500-E515 PolarHBondContact N-O 2.89Å; V500-E515 PolarHBondContact O-N 3.1Å; V500-E515 VanDerWaalsContact O-N 3.09Å; E515-N517 PolarHBondContact OE1-N 3.4Å
516	D	94.7	Very high	92.8	Very high	74 Å²	74	62.6 Å²	62.6	40%	0.396	33%	0.327	S	S	.	.			trans	-110.8	-9.9	-179.2	86.6	-22	0	0	0	113.6	I513 S518	I513-D516 HydrophobicContact CG2-CB 4.11Å; D516-S518 PolarHBondContact O-N 3.3Å; D516-S518 WeakPolarHBondContact OD1-CB 3.25Å; D516-S518 PolarHBondContact OD1-N 3.29Å; D516-S518 PolarHBondContact OD1-OG 3.14Å; D516-S518 WeakPolarHBondContact OD2-CB 3.27Å
517	N	95.1	Very high	93.3	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.027	30%	0.297	C	S	.	.			trans	53.8	33.8	-176.5	-86.5	-62.2	0	0	0	113.2	A61 I497 P498 E515 L519 L520 R521	A61-N517 PolarHBondContact N-OD1 3.41Å; I497-N517 HydrophobicContact CG2-CB 4.01Å; P498-N517 WeakPolarHBondContact O-CB 3.35Å; P498-N517 PolarHBondContact O-ND2 3.46Å; E515-N517 PolarHBondContact OE1-N 3.4Å; N517-L519 PolarHBondContact O-N 2.86Å; N517-L519 VanDerWaalsContact O-N 3.16Å; N517-L520 HydrophobicContact CB-CB 4.09Å; N517-L520 HydrophobicContact CB-CD2 4.37Å; N517-L520 CarbonylContact O-C 3.57Å; N517-L520 WeakPolarHBondContact O-CA 3.38Å; N517-L520 WeakPolarHBondContact O-CB 3.42Å; N517-L520 PolarHBondContact O-N 3.04Å; N517-R521 PolarHBondContact O-N 2.88Å
518	S	93.7	Very high	93.5	Very high	43 Å²	43	61.4 Å²	61.4	30%	0.301	30%	0.298	S	S	.	.	H	α-helix	trans	-57.8	-28.2	-178.2	48.1	0	0	0	0	114.9	D516 K522	D516-S518 PolarHBondContact O-N 3.3Å; D516-S518 WeakPolarHBondContact OD1-CB 3.25Å; D516-S518 PolarHBondContact OD1-N 3.29Å; D516-S518 PolarHBondContact OD1-OG 3.14Å; D516-S518 WeakPolarHBondContact OD2-CB 3.27Å; S518-K522 WeakPolarHBondContact O-CD 3.46Å; S518-K522 VanDerWaalsContact O-CG 3.27Å; S518-K522 WeakPolarHBondContact O-CG 3.44Å; S518-K522 PolarHBondContact O-N 2.57Å; S518-K522 VanDerWaalsContact O-N 3.16Å
519	L	92.4	Very high	93.8	Very high	117 Å²	117	57.4 Å²	57.4	61%	0.613	28%	0.279	S	S	*	.	H	α-helix	trans	-70.6	-44.9	171	-67.4	178.8	0	0	0	112.1	N517 R521 K522 Y523	N517-L519 PolarHBondContact O-N 2.86Å; N517-L519 VanDerWaalsContact O-N 3.16Å; L519-R521 VanDerWaalsContact C-N 3.31Å; L519-R521 PolarHBondContact O-N 2.93Å; L519-K522 PolarHBondContact O-N 3.34Å; L519-Y523 PolarHBondContact O-N 2.86Å; L519-Y523 VanDerWaalsContact O-N 3.08Å
520	L	93.6	Very high	94	Very high	9 Å²	9	50.3 Å²	50.3	5%	0.047	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-38.9	175	-176.6	65.1	0	0	0	111	A58 E60 I497 N517 Y523 F524	A58-L520 HydrophobicContact CB-CD1 4.39Å; A58-L520 VanDerWaalsContact O-CD1 3.31Å; A58-L520 WeakPolarHBondContact O-CD1 3.38Å; E60-L520 HydrophobicContact CB-CD2 4.15Å; I497-L520 HydrophobicContact CG2-CB 4.43Å; I497-L520 HydrophobicContact CG2-CD2 3.72Å; I497-L520 HydrophobicContact CG2-CG 4.05Å; N517-L520 HydrophobicContact CB-CB 4.09Å; N517-L520 HydrophobicContact CB-CD2 4.37Å; N517-L520 CarbonylContact O-C 3.57Å; N517-L520 WeakPolarHBondContact O-CA 3.38Å; N517-L520 WeakPolarHBondContact O-CB 3.42Å; N517-L520 PolarHBondContact O-N 3.04Å; L520-Y523 HydrophobicContact CD1-CD1 4.29Å; L520-Y523 PolarHBondContact O-N 2.93Å; L520-F524 HydrophobicContact CD1-CD1 3.84Å; L520-F524 HydrophobicContact CD1-CE1 3.4Å; L520-F524 HydrophobicContact CD1-CE2 4.41Å; L520-F524 HydrophobicContact CD1-CZ 3.72Å; L520-F524 HydrophobicContact CD2-CZ 4.45Å; L520-F524 HydrophobicContact CG-CD1 4.3Å; L520-F524 HydrophobicContact CG-CE1 4.12Å; L520-F524 HydrophobicContact CG-CE2 4.36Å; L520-F524 HydrophobicContact CG-CZ 4.15Å; L520-F524 WeakPolarHBondContact O-CB 3.29Å; L520-F524 PolarHBondContact O-N 3.29Å
521	R	94.2	Very high	93.8	Very high	71 Å²	71	51 Å²	51	27%	0.268	25%	0.25	S	C	.	.	H	α-helix	trans	-60.3	-51.3	175.9	-170.3	170.3	-60.7	-88.5	5.6	112.3	D496 I497 N517 L519 Y523 F524 E525	D496-R521 IonicContact OD1-CZ 2.71Å; D496-R521 IonicContact OD1-NH1 2.75Å; D496-R521 PolarHBondContact OD1-NH1 2.9Å; D496-R521 IonicContact OD1-NH2 3.51Å; D496-R521 PolarHBondContact OD1-NH2 2.83Å; D496-R521 IonicContact OD2-CZ 3.99Å; D496-R521 IonicContact OD2-NH1 3.56Å; D496-R521 PolarHBondContact OD2-NH1 2.81Å; D496-R521 IonicContact OD2-NH2 2.76Å; D496-R521 PolarHBondContact OD2-NH2 2.97Å; I497-R521 HydrophobicContact CD1-CB 3.9Å; I497-R521 HydrophobicContact CD1-CG 3.96Å; N517-R521 PolarHBondContact O-N 2.88Å; L519-R521 VanDerWaalsContact C-N 3.31Å; L519-R521 PolarHBondContact O-N 2.93Å; R521-Y523 VanDerWaalsContact C-N 3.26Å; R521-Y523 PolarHBondContact O-N 3.19Å; R521-F524 PolarHBondContact O-N 3.33Å; R521-E525 WeakPolarHBondContact O-CG 3.09Å; R521-E525 PolarHBondContact O-N 3.45Å
522	K	93.9	Very high	93.7	Very high	127 Å²	127	52.4 Å²	52.4	55%	0.552	26%	0.257	S	S	*	.	H	α-helix	trans	-59.2	-35	174.1	-70	165.4	-171.9	169.6	0	112.9	S518 L519	S518-K522 WeakPolarHBondContact O-CD 3.46Å; S518-K522 VanDerWaalsContact O-CG 3.27Å; S518-K522 WeakPolarHBondContact O-CG 3.44Å; S518-K522 PolarHBondContact O-N 2.57Å; S518-K522 VanDerWaalsContact O-N 3.16Å; L519-K522 PolarHBondContact O-N 3.34Å
523	Y	93.3	Very high	93.4	Very high	21 Å²	21	52.9 Å²	52.9	8%	0.082	26%	0.259	C	S	.	.	H	α-helix	trans	-71.2	-44.3	175.1	173.4	-133.5	0	0	0	112.1	D52 P56 K57 A58 L519 L520 R521 E525 T526	D52-Y523 WeakPolarHBondContact CA-OH 3.39Å; D52-Y523 VanDerWaalsContact CB-OH 3.28Å; D52-Y523 WeakPolarHBondContact CB-OH 3.18Å; D52-Y523 VanDerWaalsContact CG-OH 3.29Å; D52-Y523 PolarHBondContact OD1-OH 2.79Å; P56-Y523 HydrophobicContact CB-CE1 4.42Å; K57-Y523 HydrophobicContact CB-CD2 4.27Å; K57-Y523 HydrophobicContact CB-CE1 4.37Å; K57-Y523 HydrophobicContact CB-CE2 3.8Å; K57-Y523 HydrophobicContact CD-CE2 4.26Å; K57-Y523 HydrophobicContact CG-CE2 4.16Å; K57-Y523 PolarHBondContact N-OH 2.81Å; A58-Y523 HydrophobicContact CB-CD1 3.81Å; A58-Y523 HydrophobicContact CB-CG 4.09Å; L519-Y523 PolarHBondContact O-N 2.86Å; L519-Y523 VanDerWaalsContact O-N 3.08Å; L520-Y523 HydrophobicContact CD1-CD1 4.29Å; L520-Y523 PolarHBondContact O-N 2.93Å; R521-Y523 VanDerWaalsContact C-N 3.26Å; R521-Y523 PolarHBondContact O-N 3.19Å; Y523-E525 VanDerWaalsContact C-N 3.31Å; Y523-E525 PolarHBondContact O-N 3Å; Y523-T526 WeakPolarHBondContact O-CB 3.29Å; Y523-T526 PolarHBondContact O-N 2.99Å; Y523-T526 PolarHBondContact O-OG1 2.78Å
524	F	93	Very high	93.1	Very high	19 Å²	19	52.3 Å²	52.3	8%	0.083	25%	0.252	C	S	.	.	H	α-helix	trans	-66.8	-31.5	178.3	-80.7	16.8	0	0	0	112.3	I497 L520 R521 T526 K527 F529 L583 F585	I497-F524 HydrophobicContact CD1-CB 3.8Å; I497-F524 HydrophobicContact CD1-CD2 3.58Å; I497-F524 HydrophobicContact CD1-CG 4.03Å; I497-F524 HydrophobicContact CG1-CD2 3.84Å; I497-F524 HydrophobicContact CG1-CE2 4.44Å; L520-F524 HydrophobicContact CD1-CD1 3.84Å; L520-F524 HydrophobicContact CD1-CE1 3.4Å; L520-F524 HydrophobicContact CD1-CE2 4.41Å; L520-F524 HydrophobicContact CD1-CZ 3.72Å; L520-F524 HydrophobicContact CD2-CZ 4.45Å; L520-F524 HydrophobicContact CG-CD1 4.3Å; L520-F524 HydrophobicContact CG-CE1 4.12Å; L520-F524 HydrophobicContact CG-CE2 4.36Å; L520-F524 HydrophobicContact CG-CZ 4.15Å; L520-F524 WeakPolarHBondContact O-CB 3.29Å; L520-F524 PolarHBondContact O-N 3.29Å; R521-F524 PolarHBondContact O-N 3.33Å; F524-T526 PolarHBondContact O-N 3.18Å; F524-K527 WeakPolarHBondContact O-CB 3.23Å; F524-K527 PolarHBondContact O-N 2.82Å; F524-F529 HydrophobicContact CB-CE2 3.75Å; F524-F529 HydrophobicContact CB-CZ 4.13Å; F524-F529 HydrophobicContact CD1-CE2 4.23Å; F524-F529 AromaticContact CD1-CZ 3.9Å; F524-F529 HydrophobicContact CD1-CZ 3.9Å; F524-F529 HydrophobicContact CD2-CE1 4.21Å; F524-F529 AromaticContact CD2-CE2 3.86Å; F524-F529 HydrophobicContact CD2-CE2 3.86Å; F524-F529 AromaticContact CD2-CZ 3.36Å; F524-F529 HydrophobicContact CD2-CZ 3.36Å; F524-F529 HydrophobicContact CE1-CZ 4.07Å; F524-F529 HydrophobicContact CE2-CE1 4.14Å; F524-F529 AromaticContact CE2-CZ 3.58Å; F524-F529 HydrophobicContact CE2-CZ 3.58Å; F524-F529 AromaticContact CG-CE2 3.7Å; F524-F529 HydrophobicContact CG-CE2 3.7Å; F524-F529 AromaticContact CG-CZ 3.54Å; F524-F529 HydrophobicContact CG-CZ 3.54Å; F524-F529 AromaticContact CZ-CZ 3.93Å; F524-F529 HydrophobicContact CZ-CZ 3.93Å; F524-L583 HydrophobicContact CE2-CD2 4.04Å; F524-F585 HydrophobicContact CE1-CD1 4.38Å; F524-F585 HydrophobicContact CE1-CD2 4.32Å; F524-F585 HydrophobicContact CE1-CE1 4.19Å; F524-F585 HydrophobicContact CE1-CE2 4.13Å; F524-F585 HydrophobicContact CE1-CG 4.43Å; F524-F585 HydrophobicContact CE1-CZ 4.07Å; F524-F585 HydrophobicContact CZ-CB 4.42Å; F524-F585 HydrophobicContact CZ-CD1 4.3Å; F524-F585 AromaticContact CZ-CD2 3.99Å; F524-F585 HydrophobicContact CZ-CD2 3.99Å; F524-F585 HydrophobicContact CZ-CE2 4.26Å; F524-F585 HydrophobicContact CZ-CG 4.01Å
525	E	92.3	Very high	92.6	Very high	114 Å²	114	54.7 Å²	54.7	53%	0.533	26%	0.261	S	S	.	.	H	α-helix	trans	-57.7	-26.9	168.9	-76	164.1	-165.6	0	0	113.1	K45 R521 Y523 K527	K45-E525 VanDerWaalsContact CD-O 3.27Å; K45-E525 WeakPolarHBondContact CD-O 3.5Å; K45-E525 WeakPolarHBondContact CE-O 3.38Å; K45-E525 WeakPolarHBondContact CG-O 3.5Å; R521-E525 WeakPolarHBondContact O-CG 3.09Å; R521-E525 PolarHBondContact O-N 3.45Å; Y523-E525 VanDerWaalsContact C-N 3.31Å; Y523-E525 PolarHBondContact O-N 3Å; E525-K527 PolarHBondContact O-N 3.23Å
526	T	93.4	Very high	92.2	Very high	67 Å²	67	60.6 Å²	60.6	41%	0.411	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-5.2	174	75.3	0	0	0	0	113.9	K45 Q46 Y523 F524	K45-T526 CarbonylContact C-O 3.6Å; K45-T526 WeakPolarHBondContact CA-O 3.27Å; Q46-T526 PolarHBondContact N-O 2.9Å; Y523-T526 WeakPolarHBondContact O-CB 3.29Å; Y523-T526 PolarHBondContact O-N 2.99Å; Y523-T526 PolarHBondContact O-OG1 2.78Å; F524-T526 PolarHBondContact O-N 3.18Å
527	K	93.5	Very high	91.6	Very high	23 Å²	23	57.6 Å²	57.6	10%	0.1	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	154.5	-169.2	-61.5	-61.5	-178.6	170.3	0	113.7	Q46 I48 D52 F524 E525 F529	Q46-K527 HydrophobicContact CB-CD 4.45Å; Q46-K527 CarbonylContact O-C 3.6Å; Q46-K527 VanDerWaalsContact O-CA 3.28Å; Q46-K527 WeakPolarHBondContact O-CA 3.34Å; I48-K527 HydrophobicContact CG1-CB 4.42Å; D52-K527 WeakPolarHBondContact OD1-CE 3.4Å; D52-K527 IonicContact OD1-NZ 4Å; D52-K527 PolarHBondContact OD1-NZ 2.93Å; D52-K527 WeakPolarHBondContact OD2-CE 3.33Å; D52-K527 IonicContact OD2-NZ 2.89Å; D52-K527 PolarHBondContact OD2-NZ 2.97Å; F524-K527 WeakPolarHBondContact O-CB 3.23Å; F524-K527 PolarHBondContact O-N 2.82Å; E525-K527 PolarHBondContact O-N 3.23Å; K527-F529 HydrophobicContact CB-CD2 4.16Å; K527-F529 HydrophobicContact CB-CE2 3.82Å
528	R	92.3	Very high	91.1	Very high	65 Å²	65	62.4 Å²	62.4	25%	0.245	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	92.7	175	-58.7	-173.1	70.9	-169.5	-5.1	109.2	Y42 K45 Q46 P553 D554 S593	Y42-R528 HydrophobicContact CD1-CG 3.72Å; Y42-R528 HydrophobicContact CE1-CB 4.42Å; Y42-R528 HydrophobicContact CE1-CG 4.07Å; K45-R528 HydrophobicContact CB-CG 3.81Å; Q46-R528 PolarHBondContact O-N 3.37Å; R528-P553 HydrophobicContact CB-CB 3.87Å; R528-P553 HydrophobicContact CB-CG 3.75Å; R528-P553 WeakPolarHBondContact O-CG 3.3Å; R528-D554 IonicContact CZ-OD2 3.59Å; R528-D554 IonicContact NE-OD2 2.76Å; R528-D554 IonicContact NH2-OD2 3.03Å; R528-D554 PolarHBondContact NH2-OD2 3.21Å; R528-S593 WeakPolarHBondContact O-CB 3.49Å; R528-S593 PolarHBondContact O-OG 2.9Å
529	F	92.5	Very high	90.6	Very high	50 Å²	50	60.8 Å²	60.8	22%	0.219	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-72.1	150.6	175	-80.6	-96.6	0	0	0	111.2	I48 F524 K527 P553 F585	I48-F529 HydrophobicContact CD1-CD1 4.21Å; I48-F529 HydrophobicContact CD1-CE1 4.23Å; F524-F529 HydrophobicContact CB-CE2 3.75Å; F524-F529 HydrophobicContact CB-CZ 4.13Å; F524-F529 HydrophobicContact CD1-CE2 4.23Å; F524-F529 AromaticContact CD1-CZ 3.9Å; F524-F529 HydrophobicContact CD1-CZ 3.9Å; F524-F529 HydrophobicContact CD2-CE1 4.21Å; F524-F529 AromaticContact CD2-CE2 3.86Å; F524-F529 HydrophobicContact CD2-CE2 3.86Å; F524-F529 AromaticContact CD2-CZ 3.36Å; F524-F529 HydrophobicContact CD2-CZ 3.36Å; F524-F529 HydrophobicContact CE1-CZ 4.07Å; F524-F529 HydrophobicContact CE2-CE1 4.14Å; F524-F529 AromaticContact CE2-CZ 3.58Å; F524-F529 HydrophobicContact CE2-CZ 3.58Å; F524-F529 AromaticContact CG-CE2 3.7Å; F524-F529 HydrophobicContact CG-CE2 3.7Å; F524-F529 AromaticContact CG-CZ 3.54Å; F524-F529 HydrophobicContact CG-CZ 3.54Å; F524-F529 AromaticContact CZ-CZ 3.93Å; F524-F529 HydrophobicContact CZ-CZ 3.93Å; K527-F529 HydrophobicContact CB-CD2 4.16Å; K527-F529 HydrophobicContact CB-CE2 3.82Å; F529-P553 WeakPolarHBondContact O-CG 3.27Å; F529-F585 AromaticContact CE1-CD2 3.75Å; F529-F585 HydrophobicContact CE1-CD2 3.75Å; F529-F585 AromaticContact CE1-CE2 3.9Å; F529-F585 HydrophobicContact CE1-CE2 3.9Å; F529-F585 AromaticContact CZ-CD2 3.91Å; F529-F585 HydrophobicContact CZ-CD2 3.91Å; F529-F585 AromaticContact CZ-CE2 3.69Å; F529-F585 HydrophobicContact CZ-CE2 3.69Å
530	P	93.1	Very high	89.9	Confident	12 Å²	12	59 Å²	59	8%	0.078	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-65.1	152.2	171.8	29.2	-35.3	0	0	0	111.5	I532 L550 Y551 T589 A592	P530-I532 HydrophobicContact CG-CG1 4.4Å; P530-L550 HydrophobicContact CB-CB 4.1Å; P530-L550 HydrophobicContact CB-CG 4.38Å; P530-L550 HydrophobicContact CG-CB 4.34Å; P530-L550 HydrophobicContact CG-CD2 4.26Å; P530-L550 HydrophobicContact CG-CG 4.1Å; P530-Y551 CarbonylContact C-O 3.34Å; P530-Y551 WeakPolarHBondContact CA-O 3.41Å; P530-Y551 WeakPolarHBondContact CB-O 3.47Å; P530-T589 HydrophobicContact CG-CG2 4.34Å; P530-A592 HydrophobicContact CB-CB 3.68Å; P530-A592 HydrophobicContact CG-CB 4.29Å
531	D	90.5	Very high	89.3	Confident	66 Å²	66	60.6 Å²	60.6	35%	0.353	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	135.6	163	176.6	41.7	0	0	0	109	Q533 L550 Y551	D531-Q533 WeakPolarHBondContact OD2-CG 3.2Å; D531-Q533 PolarHBondContact OD2-NE2 2.74Å; D531-L550 CarbonylContact O-C 3.59Å; D531-L550 WeakPolarHBondContact O-CA 3.06Å; D531-Y551 PolarHBondContact N-O 3.15Å; D531-Y551 VanDerWaalsContact N-O 3.14Å; D531-Y551 PolarHBondContact O-N 2.96Å
532	I	91.7	Very high	88.9	Confident	59 Å²	59	60 Å²	60	30%	0.303	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	112.1	-174.8	-57.1	-175.4	0	0	0	109.7	P530 Y534 K548 I549 L550	P530-I532 HydrophobicContact CG-CG1 4.4Å; I532-Y534 HydrophobicContact CG2-CE2 3.83Å; I532-K548 HydrophobicContact CG2-CG 4.05Å; I532-I549 WeakPolarHBondContact CA-O 3.37Å; I532-L550 HydrophobicContact CD1-CD1 4.48Å; I532-L550 HydrophobicContact CD1-CG 4.45Å; I532-L550 HydrophobicContact CG1-CD1 4.34Å; I532-L550 HydrophobicContact CG1-CG 4.21Å; I532-L550 HydrophobicContact CG2-CD1 4.41Å
533	Q	89.3	Confident	88.7	Confident	50 Å²	50	56.5 Å²	56.5	23%	0.234	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.9	178.5	-59.8	-176.3	13.9	0	0	111	D531 I549 Y551	D531-Q533 WeakPolarHBondContact OD2-CG 3.2Å; D531-Q533 PolarHBondContact OD2-NE2 2.74Å; Q533-I549 PolarHBondContact N-O 2.99Å; Q533-I549 PolarHBondContact O-N 2.95Å; Q533-Y551 HydrophobicContact CB-CE2 4.01Å; Q533-Y551 HydrophobicContact CG-CD2 4.09Å; Q533-Y551 HydrophobicContact CG-CE2 3.83Å
534	Y	89.8	Confident	88.6	Confident	84 Å²	84	56.5 Å²	56.5	33%	0.329	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.4	171.8	-59	-86.8	0	0	0	108.7	I532 L547 K548 V579 L580 E581	I532-Y534 HydrophobicContact CG2-CE2 3.83Å; Y534-L547 VanDerWaalsContact CA-O 3.31Å; Y534-L547 WeakPolarHBondContact CA-O 3.3Å; Y534-K548 HydrophobicContact CD1-CB 4.06Å; Y534-K548 HydrophobicContact CD1-CG 4.21Å; Y534-K548 HydrophobicContact CE1-CB 3.83Å; Y534-K548 HydrophobicContact CE1-CD 3.77Å; Y534-K548 HydrophobicContact CE1-CG 3.59Å; Y534-K548 VanDerWaalsContact OH-CE 3.28Å; Y534-K548 WeakPolarHBondContact OH-CE 3.46Å; Y534-V579 HydrophobicContact CD1-CG1 3.89Å; Y534-V579 HydrophobicContact CE1-CG1 4.34Å; Y534-L580 PolarHBondContact OH-O 2.64Å; Y534-E581 HydrophobicContact CE1-CG 4.26Å; Y534-E581 HydrophobicContact CE2-CG 3.87Å
535	K	86.7	Confident	88.5	Confident	57 Å²	57	55.6 Å²	55.6	25%	0.248	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	139.4	-177.7	-62.8	-173.7	-179.8	175	0	109.9	L547 I549 Y551 E557	K535-L547 PolarHBondContact N-O 3.12Å; K535-L547 VanDerWaalsContact N-O 3.08Å; K535-L547 WeakPolarHBondContact O-CB 3.27Å; K535-L547 PolarHBondContact O-N 3.48Å; K535-I549 HydrophobicContact CB-CD1 4.08Å; K535-I549 HydrophobicContact CD-CD1 3.96Å; K535-I549 HydrophobicContact CG-CD1 3.92Å; K535-Y551 PolarHBondContact NZ-OH 3.33Å; K535-E557 IonicContact NZ-OE1 3.75Å; K535-E557 IonicContact NZ-OE2 3.82Å
536	E	86.4	Confident	88.6	Confident	139 Å²	139	51.9 Å²	51.9	65%	0.65	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	141.6	169.5	-65.6	-155.3	166.5	0	0	110.8	T544 L546	E536-T544 HydrophobicContact CB-CG2 3.88Å; E536-T544 HydrophobicContact CG-CG2 4.32Å; E536-L546 HydrophobicContact CG-CD2 3.8Å
537	V	82.4	Confident	88.5	Confident	12 Å²	12	49.2 Å²	49.2	7%	0.073	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	119.8	-174	169.8	0	0	0	0	110.8	T544 A545 L547 A633 I651	V537-T544 CarbonylContact O-C 3.54Å; V537-T544 WeakPolarHBondContact O-CA 3.46Å; V537-A545 PolarHBondContact N-O 2.93Å; V537-A545 PolarHBondContact O-N 2.89Å; V537-L547 HydrophobicContact CB-CD1 3.83Å; V537-L547 HydrophobicContact CG2-CD1 3.6Å; V537-L547 HydrophobicContact CG2-CD2 3.98Å; V537-L547 HydrophobicContact CG2-CG 4.42Å; V537-A633 HydrophobicContact CG1-CB 4.1Å; V537-A633 WeakPolarHBondContact CG1-O 3.07Å; V537-I651 HydrophobicContact CG1-CD1 3.76Å; V537-I651 HydrophobicContact CG1-CG2 4.19Å; V537-I651 HydrophobicContact CG2-CG2 4.03Å
538	Q	85.3	Confident	88.5	Confident	105 Å²	105	48.8 Å²	48.8	49%	0.491	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	128	177.1	-67.2	-58.9	-36.7	0	0	111.8	T544 S636	Q538-T544 PolarHBondContact NE2-OG1 3.16Å; Q538-S636 WeakPolarHBondContact O-CB 3.27Å; Q538-S636 PolarHBondContact O-OG 3.02Å
539	L	83.4	Confident	88.4	Confident	9 Å²	9	45.7 Å²	45.7	5%	0.047	24%	0.239	C	C	.	.			trans	-84.8	148.5	-177.9	-56.9	-155.5	0	0	0	111.4	N541 G542 Y543 A545 D629 A633	L539-N541 WeakPolarHBondContact CB-OD1 3.35Å; L539-N541 WeakPolarHBondContact CD1-OD1 3.5Å; L539-N541 PolarHBondContact O-N 3.34Å; L539-N541 VanDerWaalsContact O-N 3.08Å; L539-G542 PolarHBondContact O-N 3.49Å; L539-G542 VanDerWaalsContact O-N 3.09Å; L539-Y543 VanDerWaalsContact CB-O 3.26Å; L539-Y543 WeakPolarHBondContact CB-O 3.33Å; L539-Y543 VanDerWaalsContact CG-O 3.23Å; L539-Y543 WeakPolarHBondContact CG-O 3.39Å; L539-Y543 PolarHBondContact N-O 3.08Å; L539-A545 HydrophobicContact CD2-CB 3.75Å; L539-A545 HydrophobicContact CG-CB 4.48Å; L539-D629 HydrophobicContact CD1-CB 4.01Å; L539-D629 WeakPolarHBondContact CD1-OD1 3.47Å; L539-A633 HydrophobicContact CD2-CB 3.5Å
540	P	76.7	Confident	88.5	Confident	80 Å²	80	43.4 Å²	43.4	52%	0.519	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.5	169.9	-18.7	29.3	0	0	0	113	S636	P540-S636 VanDerWaalsContact CD-OG 3.26Å; P540-S636 WeakPolarHBondContact CD-OG 3.27Å; P540-S636 WeakPolarHBondContact CG-OG 3.28Å
541	N	82.5	Confident	88.3	Confident	43 Å²	43	42.9 Å²	42.9	23%	0.23	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	4.3	-178.8	64	44.4	0	0	0	114.4	L539 Y543 R605 D629 E632	L539-N541 WeakPolarHBondContact CB-OD1 3.35Å; L539-N541 WeakPolarHBondContact CD1-OD1 3.5Å; L539-N541 PolarHBondContact O-N 3.34Å; L539-N541 VanDerWaalsContact O-N 3.08Å; N541-Y543 WeakPolarHBondContact O-CD2 3.23Å; N541-Y543 WeakPolarHBondContact OD1-CD2 3.43Å; N541-R605 PolarHBondContact ND2-NH2 2.99Å; N541-D629 PolarHBondContact ND2-OD1 3.34Å; N541-E632 PolarHBondContact ND2-OE2 2.82Å
542	G	85.8	Confident	88.4	Confident	58 Å²	58	40 Å²	40	60%	0.598	21%	0.211	S	C	*	.	S	Bend	trans	90.8	7.2	171.9	0	0	0	0	0	116.5	L539	L539-G542 PolarHBondContact O-N 3.49Å; L539-G542 VanDerWaalsContact O-N 3.09Å
543	Y	89.9	Confident	88.2	Confident	53 Å²	53	38 Å²	38	21%	0.208	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-101.8	166.4	176.1	-67.5	-107.7	0	0	0	111	L539 N541 R605 K613 Y614 S617	L539-Y543 VanDerWaalsContact CB-O 3.26Å; L539-Y543 WeakPolarHBondContact CB-O 3.33Å; L539-Y543 VanDerWaalsContact CG-O 3.23Å; L539-Y543 WeakPolarHBondContact CG-O 3.39Å; L539-Y543 PolarHBondContact N-O 3.08Å; N541-Y543 WeakPolarHBondContact O-CD2 3.23Å; N541-Y543 WeakPolarHBondContact OD1-CD2 3.43Å; Y543-R605 HydrophobicContact CD1-CG 3.54Å; Y543-R605 HydrophobicContact CD2-CG 4.35Å; Y543-R605 HydrophobicContact CE1-CG 3.66Å; Y543-R605 HydrophobicContact CE2-CG 4.46Å; Y543-R605 HydrophobicContact CG-CG 3.92Å; Y543-K613 HydrophobicContact CE1-CG 4.09Å; Y543-K613 WeakPolarHBondContact CE1-O 3.38Å; Y543-Y614 HydrophobicContact CD1-CD1 4.06Å; Y543-Y614 AromaticContact CD1-CE1 3.8Å; Y543-Y614 HydrophobicContact CD1-CE1 3.8Å; Y543-Y614 HydrophobicContact CG-CE1 4.44Å; Y543-S617 PolarHBondContact OH-OG 3.47Å
544	T	90.3	Very high	87.6	Confident	21 Å²	21	39.1 Å²	39.1	13%	0.129	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.5	167.8	-47.2	0	0	0	0	109.8	E536 V537 Q538 R610 Y614	E536-T544 HydrophobicContact CB-CG2 3.88Å; E536-T544 HydrophobicContact CG-CG2 4.32Å; V537-T544 CarbonylContact O-C 3.54Å; V537-T544 WeakPolarHBondContact O-CA 3.46Å; Q538-T544 PolarHBondContact NE2-OG1 3.16Å; T544-R610 PolarHBondContact O-NH1 3.18Å; T544-R610 PolarHBondContact O-NH2 3.3Å; T544-Y614 PolarHBondContact N-OH 3.24Å; T544-Y614 VanDerWaalsContact O-CE1 3.27Å; T544-Y614 WeakPolarHBondContact O-CE1 3.32Å; T544-Y614 PolarHBondContact O-OH 2.82Å
545	A	91.6	Very high	86.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	137.9	161.7	0	0	0	0	0	110.5	V537 L539 L547 I602 D603 A633	V537-A545 PolarHBondContact N-O 2.93Å; V537-A545 PolarHBondContact O-N 2.89Å; L539-A545 HydrophobicContact CD2-CB 3.75Å; L539-A545 HydrophobicContact CG-CB 4.48Å; A545-L547 HydrophobicContact CB-CD1 4.12Å; A545-I602 HydrophobicContact CB-CG2 3.91Å; A545-D603 WeakPolarHBondContact CA-O 3.29Å; A545-A633 HydrophobicContact CB-CB 3.64Å
546	L	92.8	Very high	86	Confident	37 Å²	37	38.4 Å²	38.4	19%	0.194	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	141.7	167.1	-52	-180	0	0	0	108.5	E536 V579 I602 D603	E536-L546 HydrophobicContact CG-CD2 3.8Å; L546-V579 HydrophobicContact CB-CB 4.25Å; L546-V579 HydrophobicContact CB-CG1 3.95Å; L546-V579 HydrophobicContact CB-CG2 4.36Å; L546-V579 WeakPolarHBondContact O-CG2 3.11Å; L546-I602 WeakPolarHBondContact O-CA 3.42Å; L546-D603 HydrophobicContact CB-CB 4.46Å; L546-D603 PolarHBondContact N-O 2.86Å; L546-D603 PolarHBondContact O-N 2.81Å
547	L	92.6	Very high	84.9	Confident	10 Å²	10	35.2 Å²	35.2	5%	0.052	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.8	176.4	-78.7	66.2	0	0	0	110.9	Y534 K535 V537 A545 I549 V600 Y601 I602	Y534-L547 VanDerWaalsContact CA-O 3.31Å; Y534-L547 WeakPolarHBondContact CA-O 3.3Å; K535-L547 PolarHBondContact N-O 3.12Å; K535-L547 VanDerWaalsContact N-O 3.08Å; K535-L547 WeakPolarHBondContact O-CB 3.27Å; K535-L547 PolarHBondContact O-N 3.48Å; V537-L547 HydrophobicContact CB-CD1 3.83Å; V537-L547 HydrophobicContact CG2-CD1 3.6Å; V537-L547 HydrophobicContact CG2-CD2 3.98Å; V537-L547 HydrophobicContact CG2-CG 4.42Å; A545-L547 HydrophobicContact CB-CD1 4.12Å; L547-I549 HydrophobicContact CB-CD1 3.86Å; L547-I549 HydrophobicContact CB-CG1 4.43Å; L547-I549 HydrophobicContact CD2-CD1 4.27Å; L547-V600 HydrophobicContact CD2-CG1 4.28Å; L547-V600 HydrophobicContact CG-CG1 4.44Å; L547-Y601 VanDerWaalsContact CA-O 3.31Å; L547-Y601 WeakPolarHBondContact CA-O 3.32Å; L547-I602 HydrophobicContact CD1-CG2 4.32Å; L547-I602 HydrophobicContact CG-CG1 4.3Å
548	K	92.9	Very high	83.6	Confident	14 Å²	14	44 Å²	44	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.7	159.5	179.8	176.7	-172.1	168.1	0	107.3	I532 Y534 L550 V579 L580 R582 V600 Y601	I532-K548 HydrophobicContact CG2-CG 4.05Å; Y534-K548 HydrophobicContact CD1-CB 4.06Å; Y534-K548 HydrophobicContact CD1-CG 4.21Å; Y534-K548 HydrophobicContact CE1-CB 3.83Å; Y534-K548 HydrophobicContact CE1-CD 3.77Å; Y534-K548 HydrophobicContact CE1-CG 3.59Å; Y534-K548 VanDerWaalsContact OH-CE 3.28Å; Y534-K548 WeakPolarHBondContact OH-CE 3.46Å; K548-L550 HydrophobicContact CD-CD1 4.35Å; K548-L550 HydrophobicContact CG-CD1 3.99Å; K548-V579 HydrophobicContact CB-CB 4.36Å; K548-V579 HydrophobicContact CB-CG1 4.04Å; K548-V579 HydrophobicContact CB-CG2 4.2Å; K548-L580 PolarHBondContact NZ-O 2.8Å; K548-R582 PolarHBondContact NZ-O 3.34Å; K548-V600 WeakPolarHBondContact O-CA 3.49Å; K548-Y601 HydrophobicContact CB-CD2 4.11Å; K548-Y601 HydrophobicContact CB-CG 4.46Å; K548-Y601 HydrophobicContact CD-CD2 4.31Å; K548-Y601 HydrophobicContact CG-CD2 4.22Å; K548-Y601 PolarHBondContact N-O 3.4Å; K548-Y601 VanDerWaalsContact N-O 3.16Å; K548-Y601 PolarHBondContact O-N 3.46Å
549	I	91.3	Very high	82.2	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.4	-179.8	-58	112.3	0	0	0	109.1	I532 Q533 K535 L547 Y551 V598 V599 V600 F652	I532-I549 WeakPolarHBondContact CA-O 3.37Å; Q533-I549 PolarHBondContact N-O 2.99Å; Q533-I549 PolarHBondContact O-N 2.95Å; K535-I549 HydrophobicContact CB-CD1 4.08Å; K535-I549 HydrophobicContact CD-CD1 3.96Å; K535-I549 HydrophobicContact CG-CD1 3.92Å; L547-I549 HydrophobicContact CB-CD1 3.86Å; L547-I549 HydrophobicContact CB-CG1 4.43Å; L547-I549 HydrophobicContact CD2-CD1 4.27Å; I549-Y551 HydrophobicContact CB-CD2 4.45Å; I549-Y551 HydrophobicContact CB-CE2 4.06Å; I549-Y551 HydrophobicContact CG2-CD1 4.26Å; I549-Y551 HydrophobicContact CG2-CD2 3.7Å; I549-Y551 HydrophobicContact CG2-CE1 4.09Å; I549-Y551 HydrophobicContact CG2-CE2 3.45Å; I549-Y551 VanDerWaalsContact CG2-CE2 3.45Å; I549-Y551 HydrophobicContact CG2-CG 4.12Å; I549-V598 HydrophobicContact CG2-CG1 3.58Å; I549-V599 WeakPolarHBondContact CA-O 3.43Å; I549-V600 HydrophobicContact CG1-CG1 4.32Å; I549-V600 HydrophobicContact CG1-CG2 4.29Å; I549-V600 HydrophobicContact CG2-CG2 4.41Å; I549-F652 HydrophobicContact CD1-CE2 3.95Å; I549-F652 HydrophobicContact CG1-CE2 3.75Å; I549-F652 HydrophobicContact CG1-CZ 4.23Å; I549-F652 HydrophobicContact CG2-CE2 4.11Å; I549-F652 HydrophobicContact CG2-CZ 3.75Å
550	L	92.8	Very high	80.9	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	111	169.6	-76.9	54.7	0	0	0	107.5	P530 D531 I532 K548 D588 T589 A592 V598 V599 Y601	P530-L550 HydrophobicContact CB-CB 4.1Å; P530-L550 HydrophobicContact CB-CG 4.38Å; P530-L550 HydrophobicContact CG-CB 4.34Å; P530-L550 HydrophobicContact CG-CD2 4.26Å; P530-L550 HydrophobicContact CG-CG 4.1Å; D531-L550 CarbonylContact O-C 3.59Å; D531-L550 WeakPolarHBondContact O-CA 3.06Å; I532-L550 HydrophobicContact CD1-CD1 4.48Å; I532-L550 HydrophobicContact CD1-CG 4.45Å; I532-L550 HydrophobicContact CG1-CD1 4.34Å; I532-L550 HydrophobicContact CG1-CG 4.21Å; I532-L550 HydrophobicContact CG2-CD1 4.41Å; K548-L550 HydrophobicContact CD-CD1 4.35Å; K548-L550 HydrophobicContact CG-CD1 3.99Å; L550-D588 HydrophobicContact CD2-CB 4.48Å; L550-T589 HydrophobicContact CD2-CG2 3.92Å; L550-A592 HydrophobicContact CB-CB 3.87Å; L550-V598 WeakPolarHBondContact O-CA 3.3Å; L550-V599 HydrophobicContact CB-CB 4.23Å; L550-V599 PolarHBondContact N-O 2.81Å; L550-V599 PolarHBondContact O-N 3.03Å; L550-Y601 HydrophobicContact CD1-CD2 4.39Å; L550-Y601 HydrophobicContact CD1-CE2 3.89Å
551	Y	90.5	Very high	79.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	160	171.3	-65.1	-85.2	0	0	0	110.8	P530 D531 Q533 K535 I549 F555 E557 V598 F652	P530-Y551 CarbonylContact C-O 3.34Å; P530-Y551 WeakPolarHBondContact CA-O 3.41Å; P530-Y551 WeakPolarHBondContact CB-O 3.47Å; D531-Y551 PolarHBondContact N-O 3.15Å; D531-Y551 VanDerWaalsContact N-O 3.14Å; D531-Y551 PolarHBondContact O-N 2.96Å; Q533-Y551 HydrophobicContact CB-CE2 4.01Å; Q533-Y551 HydrophobicContact CG-CD2 4.09Å; Q533-Y551 HydrophobicContact CG-CE2 3.83Å; K535-Y551 PolarHBondContact NZ-OH 3.33Å; I549-Y551 HydrophobicContact CB-CD2 4.45Å; I549-Y551 HydrophobicContact CB-CE2 4.06Å; I549-Y551 HydrophobicContact CG2-CD1 4.26Å; I549-Y551 HydrophobicContact CG2-CD2 3.7Å; I549-Y551 HydrophobicContact CG2-CE1 4.09Å; I549-Y551 HydrophobicContact CG2-CE2 3.45Å; I549-Y551 VanDerWaalsContact CG2-CE2 3.45Å; I549-Y551 HydrophobicContact CG2-CG 4.12Å; Y551-F555 AromaticContact CD1-CD1 3.5Å; Y551-F555 HydrophobicContact CD1-CD1 3.5Å; Y551-F555 HydrophobicContact CD1-CD2 4.1Å; Y551-F555 AromaticContact CD1-CE1 3.18Å; Y551-F555 HydrophobicContact CD1-CE1 3.18Å; Y551-F555 AromaticContact CD1-CE2 3.81Å; Y551-F555 HydrophobicContact CD1-CE2 3.81Å; Y551-F555 AromaticContact CD1-CG 3.94Å; Y551-F555 HydrophobicContact CD1-CG 3.94Å; Y551-F555 AromaticContact CD1-CZ 3.32Å; Y551-F555 HydrophobicContact CD1-CZ 3.32Å; Y551-F555 HydrophobicContact CD2-CD1 4.25Å; Y551-F555 HydrophobicContact CD2-CE1 4.29Å; Y551-F555 HydrophobicContact CE1-CD1 4.04Å; Y551-F555 AromaticContact CE1-CE1 3.25Å; Y551-F555 HydrophobicContact CE1-CE1 3.25Å; Y551-F555 HydrophobicContact CE1-CE2 4.21Å; Y551-F555 AromaticContact CE1-CZ 3.33Å; Y551-F555 HydrophobicContact CE1-CZ 3.33Å; Y551-F555 HydrophobicContact CE2-CE1 4.37Å; Y551-F555 AromaticContact CG-CD1 3.58Å; Y551-F555 HydrophobicContact CG-CD1 3.58Å; Y551-F555 AromaticContact CG-CE1 3.7Å; Y551-F555 HydrophobicContact CG-CE1 3.7Å; Y551-F555 HydrophobicContact CG-CG 4.07Å; Y551-F555 HydrophobicContact CG-CZ 4.26Å; Y551-F555 AromaticContact CZ-CE1 3.86Å; Y551-E557 PolarHBondContact OH-OE1 2.9Å; Y551-V598 HydrophobicContact CD1-CG1 4.07Å; Y551-V598 HydrophobicContact CD1-CG2 4.07Å; Y551-V598 HydrophobicContact CE1-CG1 4.27Å; Y551-F652 HydrophobicContact CE1-CE1 4.39Å; Y551-F652 AromaticContact CE1-CZ 3.69Å; Y551-F652 HydrophobicContact CE1-CZ 3.69Å; Y551-F652 AromaticContact CZ-CZ 3.65Å; Y551-F652 WeakPolarHBondContact OH-CZ 3.38Å
552	P	90.9	Very high	79	Confident	7 Å²	7	53.2 Å²	53.2	5%	0.045	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-59.8	156.9	175.1	-24.5	35.9	0	0	0	113.3	D554 F555 L564 A592 K596	P552-D554 PolarHBondContact O-N 3.18Å; P552-F555 WeakPolarHBondContact O-CB 3.4Å; P552-F555 PolarHBondContact O-N 2.71Å; P552-L564 HydrophobicContact CG-CD1 3.86Å; P552-A592 WeakPolarHBondContact CA-O 3.16Å; P552-K596 HydrophobicContact CB-CB 4Å; P552-K596 HydrophobicContact CB-CG 4.19Å; P552-K596 HydrophobicContact CG-CB 3.85Å; P552-K596 WeakPolarHBondContact CG-O 3.45Å
553	P	89.4	Confident	78.5	Confident	15 Å²	15	56.5 Å²	56.5	10%	0.097	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	137.9	172.6	-19.5	30.3	0	0	0	111.4	R528 F529 F555	R528-P553 HydrophobicContact CB-CB 3.87Å; R528-P553 HydrophobicContact CB-CG 3.75Å; R528-P553 WeakPolarHBondContact O-CG 3.3Å; F529-P553 WeakPolarHBondContact O-CG 3.27Å; P553-F555 VanDerWaalsContact C-N 3.29Å; P553-F555 PolarHBondContact O-N 3.11Å
554	D	75.5	Confident	78.3	Confident	74 Å²	74	55.1 Å²	55.1	40%	0.396	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	33.8	-173.6	-55.4	-62.9	0	0	0	114.3	S39 Y42 R528 P552 E556	S39-D554 PolarHBondContact OG-OD1 2.78Å; Y42-D554 WeakPolarHBondContact CD2-OD1 3.42Å; Y42-D554 VanDerWaalsContact CD2-OD2 3.26Å; Y42-D554 WeakPolarHBondContact CD2-OD2 3.46Å; Y42-D554 WeakPolarHBondContact CE2-OD1 3.4Å; Y42-D554 WeakPolarHBondContact CE2-OD2 3.5Å; R528-D554 IonicContact CZ-OD2 3.59Å; R528-D554 IonicContact NE-OD2 2.76Å; R528-D554 IonicContact NH2-OD2 3.03Å; R528-D554 PolarHBondContact NH2-OD2 3.21Å; P552-D554 PolarHBondContact O-N 3.18Å; D554-E556 PolarHBondContact O-N 2.95Å
555	F	74	Confident	78.3	Confident	23 Å²	23	55.1 Å²	55.1	10%	0.101	27%	0.273	C	S	.	.			trans	-75.6	111.3	170.8	176	-94.1	0	0	0	111.8	Y551 P552 P553 E557 L564 L658	Y551-F555 AromaticContact CD1-CD1 3.5Å; Y551-F555 HydrophobicContact CD1-CD1 3.5Å; Y551-F555 HydrophobicContact CD1-CD2 4.1Å; Y551-F555 AromaticContact CD1-CE1 3.18Å; Y551-F555 HydrophobicContact CD1-CE1 3.18Å; Y551-F555 AromaticContact CD1-CE2 3.81Å; Y551-F555 HydrophobicContact CD1-CE2 3.81Å; Y551-F555 AromaticContact CD1-CG 3.94Å; Y551-F555 HydrophobicContact CD1-CG 3.94Å; Y551-F555 AromaticContact CD1-CZ 3.32Å; Y551-F555 HydrophobicContact CD1-CZ 3.32Å; Y551-F555 HydrophobicContact CD2-CD1 4.25Å; Y551-F555 HydrophobicContact CD2-CE1 4.29Å; Y551-F555 HydrophobicContact CE1-CD1 4.04Å; Y551-F555 AromaticContact CE1-CE1 3.25Å; Y551-F555 HydrophobicContact CE1-CE1 3.25Å; Y551-F555 HydrophobicContact CE1-CE2 4.21Å; Y551-F555 AromaticContact CE1-CZ 3.33Å; Y551-F555 HydrophobicContact CE1-CZ 3.33Å; Y551-F555 HydrophobicContact CE2-CE1 4.37Å; Y551-F555 AromaticContact CG-CD1 3.58Å; Y551-F555 HydrophobicContact CG-CD1 3.58Å; Y551-F555 AromaticContact CG-CE1 3.7Å; Y551-F555 HydrophobicContact CG-CE1 3.7Å; Y551-F555 HydrophobicContact CG-CG 4.07Å; Y551-F555 HydrophobicContact CG-CZ 4.26Å; Y551-F555 AromaticContact CZ-CE1 3.86Å; P552-F555 WeakPolarHBondContact O-CB 3.4Å; P552-F555 PolarHBondContact O-N 2.71Å; P553-F555 VanDerWaalsContact C-N 3.29Å; P553-F555 PolarHBondContact O-N 3.11Å; F555-E557 HydrophobicContact CE1-CB 3.9Å; F555-E557 HydrophobicContact CE1-CG 4.13Å; F555-E557 HydrophobicContact CZ-CB 4.36Å; F555-E557 HydrophobicContact CZ-CG 4.28Å; F555-L564 HydrophobicContact CD2-CD1 3.97Å; F555-L564 HydrophobicContact CE2-CD1 3.85Å; F555-L658 HydrophobicContact CE1-CD1 4.39Å; F555-L658 HydrophobicContact CE2-CB 4.43Å; F555-L658 HydrophobicContact CE2-CD1 3.75Å; F555-L658 HydrophobicContact CZ-CB 4.49Å; F555-L658 HydrophobicContact CZ-CD1 3.37Å
556	E	69.3	Low	78.3	Confident	103 Å²	103	55.5 Å²	55.5	48%	0.481	28%	0.277	S	S	.	.			trans	-101.9	121.7	167.3	-73.6	179.2	-178.2	0	0	110.2	D554 Q558 S559 N560	D554-E556 PolarHBondContact O-N 2.95Å; E556-Q558 VanDerWaalsContact C-N 3.25Å; E556-Q558 PolarHBondContact O-N 2.96Å; E556-S559 WeakPolarHBondContact CB-OG 3.4Å; E556-S559 WeakPolarHBondContact OE2-CB 3.42Å; E556-S559 PolarHBondContact OE2-OG 3.18Å; E556-N560 PolarHBondContact N-ND2 3.26Å; E556-N560 PolarHBondContact O-N 2.85Å; E556-N560 PolarHBondContact O-ND2 2.6Å
557	E	62.2	Low	78.3	Confident	72 Å²	72	53.8 Å²	53.8	34%	0.336	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-12.9	-173	-160.6	168.2	-142.2	0	0	113.9	K535 Y551 F555 L658	K535-E557 IonicContact NZ-OE1 3.75Å; K535-E557 IonicContact NZ-OE2 3.82Å; Y551-E557 PolarHBondContact OH-OE1 2.9Å; F555-E557 HydrophobicContact CE1-CB 3.9Å; F555-E557 HydrophobicContact CE1-CG 4.13Å; F555-E557 HydrophobicContact CZ-CB 4.36Å; F555-E557 HydrophobicContact CZ-CG 4.28Å; E557-L658 HydrophobicContact CB-CD1 4.31Å; E557-L658 HydrophobicContact CG-CD1 3.74Å; E557-L658 WeakPolarHBondContact O-CD1 3.36Å
558	Q	56	Low	78.5	Confident	197 Å²	197	53.9 Å²	53.9	92%	0.921	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-17.4	-177.3	-63.9	-172.7	6	0	0	115	E556	E556-Q558 VanDerWaalsContact C-N 3.25Å; E556-Q558 PolarHBondContact O-N 2.96Å
559	S	55.5	Low	78.6	Confident	64 Å²	64	54.6 Å²	54.6	45%	0.448	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-23.9	-176.2	63.8	0	0	0	0	113.4	E556	E556-S559 WeakPolarHBondContact CB-OG 3.4Å; E556-S559 WeakPolarHBondContact OE2-CB 3.42Å; E556-S559 PolarHBondContact OE2-OG 3.18Å
560	N	56.4	Low	78.9	Confident	59 Å²	59	54.7 Å²	54.7	32%	0.316	27%	0.272	S	S	.	.			trans	-66.1	135.4	174.5	-82.4	-69.4	0	0	0	111.7	E556 L658	E556-N560 PolarHBondContact N-ND2 3.26Å; E556-N560 PolarHBondContact O-N 2.85Å; E556-N560 PolarHBondContact O-ND2 2.6Å; N560-L658 HydrophobicContact CB-CD2 3.87Å; N560-L658 WeakPolarHBondContact O-CD2 3.43Å
561	K	55.3	Low	79.1	Confident	186 Å²	186	58.2 Å²	58.2	81%	0.809	29%	0.285	S	S	*	.			trans	-113.3	-11.3	176.7	-66.2	-178.2	-179.3	176	0	113.6
562	D	64	Low	79.3	Confident	122 Å²	122	58.7 Å²	58.7	65%	0.652	29%	0.289	S	S	*	.	S	Bend	trans	-89.9	131.7	-175.9	-64.3	-30.3	0	0	0	110.5	L564	D562-L564 PolarHBondContact O-N 2.81Å
563	F	76.5	Confident	79.6	Confident	127 Å²	127	58.3 Å²	58.3	56%	0.557	29%	0.287	S	S	*	.			trans	-78.8	114.1	175.2	-67.6	-84.7	0	0	0	110.1	S657 D660	F563-S657 WeakPolarHBondContact CE1-O 3.42Å; F563-D660 HydrophobicContact CB-CB 3.81Å
564	L	85.1	Confident	79.8	Confident	24 Å²	24	57.8 Å²	57.8	13%	0.126	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	146.3	-177.2	-58.1	175.7	0	0	0	112	P552 F555 D562 V598 L658 V659 D660	P552-L564 HydrophobicContact CG-CD1 3.86Å; F555-L564 HydrophobicContact CD2-CD1 3.97Å; F555-L564 HydrophobicContact CE2-CD1 3.85Å; D562-L564 PolarHBondContact O-N 2.81Å; L564-V598 HydrophobicContact CB-CG2 4.13Å; L564-V598 HydrophobicContact CD1-CG2 3.81Å; L564-L658 WeakPolarHBondContact CB-O 3.22Å; L564-L658 PolarHBondContact N-O 2.88Å; L564-V659 CarbonylContact O-C 3.58Å; L564-V659 VanDerWaalsContact O-CA 3.26Å; L564-V659 WeakPolarHBondContact O-CA 3.19Å; L564-D660 PolarHBondContact O-N 3.24Å
565	P	90.3	Very high	80.7	Confident	20 Å²	20	56.4 Å²	56.4	13%	0.13	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	149.8	165.5	-21	34.2	0	0	0	111.8	Y597 V598 K663 F800	P565-Y597 HydrophobicContact CB-CD1 3.6Å; P565-Y597 HydrophobicContact CB-CE1 3.9Å; P565-Y597 HydrophobicContact CB-CG 4.1Å; P565-Y597 HydrophobicContact CG-CD1 3.68Å; P565-Y597 HydrophobicContact CG-CE1 3.69Å; P565-Y597 CarbonylContact O-C 3.57Å; P565-Y597 WeakPolarHBondContact O-CA 3.33Å; P565-V598 PolarHBondContact O-N 2.72Å; P565-K663 CarbonylContact C-O 3.38Å; P565-K663 VanDerWaalsContact CA-O 3.23Å; P565-K663 WeakPolarHBondContact CA-O 3.06Å; P565-K663 HydrophobicContact CB-CB 3.83Å; P565-K663 HydrophobicContact CG-CB 4.06Å; P565-K663 HydrophobicContact CG-CD 4.15Å; P565-F800 HydrophobicContact CB-CD2 3.48Å; P565-F800 VanDerWaalsContact CB-CD2 3.48Å; P565-F800 HydrophobicContact CB-CE2 3.55Å; P565-F800 HydrophobicContact CB-CG 4.06Å; P565-F800 HydrophobicContact CB-CZ 4.19Å; P565-F800 HydrophobicContact CG-CD2 4.09Å; P565-F800 HydrophobicContact CG-CG 4.48Å
566	A	90.9	Very high	81.7	Confident	9 Å²	9	57.2 Å²	57.2	7%	0.074	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.2	179.2	0	0	0	0	0	112.9	V598 V659 K663 T664 A665	A566-V598 CarbonylContact C-O 3.33Å; A566-V598 VanDerWaalsContact CA-O 3.26Å; A566-V598 WeakPolarHBondContact CA-O 3.31Å; A566-V598 HydrophobicContact CB-CB 4.43Å; A566-V659 HydrophobicContact CB-CG1 3.53Å; A566-V659 HydrophobicContact CB-CG2 4.36Å; A566-K663 PolarHBondContact N-O 2.79Å; A566-T664 CarbonylContact O-C 3.57Å; A566-T664 WeakPolarHBondContact O-CA 3.41Å; A566-A665 PolarHBondContact O-N 3.2Å
567	V	94.1	Very high	82.8	Confident	1 Å²	1	56 Å²	56	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	117	-177.7	-175.5	0	0	0	0	109.6	K569 L591 Y597 V598 V599 V600 A665 L796 F800	V567-K569 PolarHBondContact O-N 3.34Å; V567-L591 HydrophobicContact CG1-CD1 4.34Å; V567-L591 HydrophobicContact CG2-CD1 4.36Å; V567-Y597 HydrophobicContact CG2-CD2 3.99Å; V567-V598 PolarHBondContact N-O 2.75Å; V567-V599 HydrophobicContact CB-CG2 4.46Å; V567-V599 WeakPolarHBondContact O-CA 3.06Å; V567-V600 PolarHBondContact O-N 2.78Å; V567-A665 WeakPolarHBondContact CA-O 3.48Å; V567-A665 HydrophobicContact CG2-CB 4.38Å; V567-L796 HydrophobicContact CG2-CD2 4.49Å; V567-F800 HydrophobicContact CG2-CE2 4.09Å; V567-F800 HydrophobicContact CG2-CZ 4.19Å
568	L	95.1	Very high	84.4	Confident	11 Å²	11	53.7 Å²	53.7	6%	0.058	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	114.9	168.4	174.7	62.4	0	0	0	109.1	V570 V600 I602 Q630 A665 V666 W667 I679 F688	L568-V570 HydrophobicContact CD2-CB 4.5Å; L568-V570 HydrophobicContact CG-CB 4.34Å; L568-V600 WeakPolarHBondContact CD1-O 2.99Å; L568-I602 HydrophobicContact CD1-CD1 3.73Å; L568-I602 HydrophobicContact CD1-CG1 3.8Å; L568-Q630 HydrophobicContact CD2-CB 4.29Å; L568-A665 PolarHBondContact N-O 2.97Å; L568-V666 HydrophobicContact CB-CB 4.17Å; L568-V666 HydrophobicContact CB-CG2 4.14Å; L568-V666 HydrophobicContact CD2-CG2 3.96Å; L568-V666 HydrophobicContact CG-CG2 4.1Å; L568-V666 CarbonylContact O-C 3.57Å; L568-V666 VanDerWaalsContact O-CA 3.31Å; L568-V666 WeakPolarHBondContact O-CA 3Å; L568-W667 PolarHBondContact O-N 2.9Å; L568-I679 HydrophobicContact CD2-CD1 4.17Å; L568-F688 HydrophobicContact CB-CE1 3.82Å; L568-F688 HydrophobicContact CB-CZ 3.97Å; L568-F688 HydrophobicContact CD2-CE1 4.33Å; L568-F688 HydrophobicContact CD2-CE2 4.38Å; L568-F688 HydrophobicContact CD2-CZ 3.6Å; L568-F688 HydrophobicContact CG-CZ 4.44Å
569	K	96.7	Very high	86.3	Confident	29 Å²	29	45.4 Å²	45.4	13%	0.126	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	102.3	167	174.7	45.3	161.2	178.9	0	108.8	V567 D588 V599 V600 Y601 W667	V567-K569 PolarHBondContact O-N 3.34Å; K569-D588 WeakPolarHBondContact CE-OD2 3.2Å; K569-V599 HydrophobicContact CB-CG1 4.04Å; K569-V600 PolarHBondContact N-O 2.86Å; K569-Y601 HydrophobicContact CB-CD1 3.96Å; K569-Y601 HydrophobicContact CB-CE1 3.86Å; K569-Y601 HydrophobicContact CB-CE2 4.5Å; K569-Y601 HydrophobicContact CB-CG 4.35Å; K569-Y601 HydrophobicContact CD-CE1 4.49Å; K569-Y601 HydrophobicContact CG-CD1 3.58Å; K569-Y601 HydrophobicContact CG-CE1 3.19Å; K569-Y601 HydrophobicContact CG-CG 4.44Å; K569-W667 HydrophobicContact CD-CD2 4.04Å; K569-W667 HydrophobicContact CD-CG 4.41Å; K569-W667 HydrophobicContact CD-CZ2 3.89Å; K569-W667 VanDerWaalsContact CE-CZ2 3.46Å
570	V	96.3	Very high	88.1	Confident	2 Å²	2	44 Å²	44	1%	0.012	22%	0.219	C	C	.	.			trans	-100.6	138	-179.4	65.2	0	0	0	0	111.9	L568 A572 Q630 V666 W667 G668 G672 T676 I679	L568-V570 HydrophobicContact CD2-CB 4.5Å; L568-V570 HydrophobicContact CG-CB 4.34Å; V570-A572 HydrophobicContact CG2-CB 3.99Å; V570-Q630 HydrophobicContact CG2-CG 3.81Å; V570-V666 HydrophobicContact CB-CG2 4.39Å; V570-V666 HydrophobicContact CG1-CG2 3.68Å; V570-W667 PolarHBondContact N-O 3.33Å; V570-G668 VanDerWaalsContact O-CA 3.3Å; V570-G668 WeakPolarHBondContact O-CA 3.44Å; V570-G672 WeakPolarHBondContact O-CA 3.45Å; V570-T676 WeakPolarHBondContact CG1-OG1 3.37Å; V570-I679 HydrophobicContact CB-CD1 4.47Å; V570-I679 HydrophobicContact CG1-CD1 4.28Å; V570-I679 HydrophobicContact CG2-CD1 4.27Å
571	Y	97.3	Very high	89.8	Confident	77 Å²	77	45.1 Å²	45.1	30%	0.302	22%	0.222	S	C	.	.			trans	-120.5	-67.8	156	-169.6	-100.2	0	0	0	109.7	G573 T576 W669 Y671 G672 S675	Y571-G573 PolarHBondContact O-N 2.82Å; Y571-T576 HydrophobicContact CD1-CG2 4.24Å; Y571-T576 WeakPolarHBondContact CD1-OG1 3.44Å; Y571-T576 HydrophobicContact CE1-CG2 3.72Å; Y571-W669 WeakPolarHBondContact CE2-O 3.36Å; Y571-Y671 WeakPolarHBondContact O-CD1 3.18Å; Y571-G672 WeakPolarHBondContact O-CA 3.42Å; Y571-S675 PolarHBondContact O-OG 2.87Å
572	A	95.4	Very high	91.6	Very high	10 Å²	10	40.8 Å²	40.8	8%	0.083	20%	0.201	C	C	.	.			trans	59.4	24.6	175.6	0	0	0	0	0	115.5	V570 E626 Q630 Y671	V570-A572 HydrophobicContact CG2-CB 3.99Å; A572-E626 HydrophobicContact CB-CB 4.37Å; A572-E626 HydrophobicContact CB-CG 4.2Å; A572-E626 WeakPolarHBondContact O-CG 3.33Å; A572-Q630 HydrophobicContact CB-CG 4.27Å; A572-Y671 VanDerWaalsContact O-CE1 3.26Å; A572-Y671 WeakPolarHBondContact O-CE1 3.45Å
573	G	95.7	Very high	92.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.			trans	-66.8	147.8	171.4	0	0	0	0	0	112.4	Y571 N575 T576	Y571-G573 PolarHBondContact O-N 2.82Å; G573-N575 PolarHBondContact O-N 3.27Å; G573-T576 PolarHBondContact N-OG1 2.8Å; G573-T576 PolarHBondContact O-N 3.01Å; G573-T576 PolarHBondContact O-OG1 3.21Å
574	P	95.4	Very high	93.4	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.019	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	138	176	22.8	-35.5	0	0	0	112.2	W377 T576 G606 V618 L622 Y707 Y711	W377-P574 HydrophobicContact CZ2-CB 4.44Å; P574-T576 PolarHBondContact O-N 3.12Å; P574-T576 VanDerWaalsContact O-N 3.1Å; P574-G606 CarbonylContact C-O 3.58Å; P574-V618 HydrophobicContact CB-CG2 4.08Å; P574-L622 HydrophobicContact CG-CD1 4.01Å; P574-Y707 WeakPolarHBondContact CD-OH 3.22Å; P574-Y707 WeakPolarHBondContact CG-OH 3.48Å; P574-Y711 HydrophobicContact CB-CD1 3.57Å; P574-Y711 HydrophobicContact CB-CD2 4.43Å; P574-Y711 HydrophobicContact CB-CE1 3.54Å; P574-Y711 HydrophobicContact CB-CE2 4.43Å; P574-Y711 HydrophobicContact CB-CG 4.04Å; P574-Y711 HydrophobicContact CG-CD1 3.71Å; P574-Y711 HydrophobicContact CG-CD2 3.63Å; P574-Y711 HydrophobicContact CG-CE1 3.69Å; P574-Y711 HydrophobicContact CG-CE2 3.65Å; P574-Y711 HydrophobicContact CG-CG 3.69Å
575	N	93.4	Very high	93.6	Very high	45 Å²	45	33.9 Å²	33.9	24%	0.241	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	14.9	-177.6	-161.4	33.5	0	0	0	116.1	W377 E379 G573 G606 G608	W377-N575 HydrophobicContact CZ2-CB 4.46Å; E379-N575 WeakPolarHBondContact CG-ND2 3.29Å; E379-N575 VanDerWaalsContact OE1-CB 3.23Å; E379-N575 WeakPolarHBondContact OE1-CB 3.24Å; E379-N575 PolarHBondContact OE1-ND2 2.9Å; G573-N575 PolarHBondContact O-N 3.27Å; N575-G606 PolarHBondContact N-O 3.26Å; N575-G608 WeakPolarHBondContact OD1-CA 3.48Å
576	T	94.5	Very high	93.8	Very high	41 Å²	41	34 Å²	34	25%	0.252	17%	0.169	S	C	.	.			trans	-95.6	168.2	176.8	67.3	0	0	0	0	113	Y571 G573 P574 S607 G608	Y571-T576 HydrophobicContact CD1-CG2 4.24Å; Y571-T576 WeakPolarHBondContact CD1-OG1 3.44Å; Y571-T576 HydrophobicContact CE1-CG2 3.72Å; G573-T576 PolarHBondContact N-OG1 2.8Å; G573-T576 PolarHBondContact O-N 3.01Å; G573-T576 PolarHBondContact O-OG1 3.21Å; P574-T576 PolarHBondContact O-N 3.12Å; P574-T576 VanDerWaalsContact O-N 3.1Å; T576-S607 VanDerWaalsContact O-CA 3.28Å; T576-S607 WeakPolarHBondContact O-CA 3.36Å; T576-G608 PolarHBondContact O-N 2.03Å
577	Q	94	Very high	94.1	Very high	78 Å²	78	33.6 Å²	33.6	36%	0.364	17%	0.166	S	C	.	.			trans	-136.2	136.9	175.8	-64.6	-172.9	-42	0	0	109.9	L580 G608 A609	Q577-L580 HydrophobicContact CB-CD1 4.48Å; Q577-L580 HydrophobicContact CB-CD2 3.82Å; Q577-L580 HydrophobicContact CB-CG 4.21Å; Q577-G608 PolarHBondContact NE2-O 2.85Å; Q577-A609 VanDerWaalsContact NE2-CB 3.26Å
578	S	94.9	Very high	94.2	Very high	22 Å²	22	33.9 Å²	33.9	15%	0.154	17%	0.167	C	C	.	.			trans	-113.6	-29.7	178.8	-31	0	0	0	0	111.3	L580 D603	S578-L580 PolarHBondContact O-N 3.41Å; S578-L580 VanDerWaalsContact O-N 3.15Å; S578-D603 VanDerWaalsContact CB-OD1 3.22Å; S578-D603 WeakPolarHBondContact CB-OD1 3.45Å; S578-D603 VanDerWaalsContact N-CG 3.31Å; S578-D603 PolarHBondContact N-OD1 2.84Å; S578-D603 PolarHBondContact N-OD2 2.84Å; S578-D603 PolarHBondContact OG-OD1 3.2Å
579	V	94.9	Very high	94.2	Very high	23 Å²	23	33.6 Å²	33.6	14%	0.139	17%	0.166	C	C	.	.			trans	-89	76.1	-176.8	-179.5	0	0	0	0	109	Y534 L546 K548 D603	Y534-V579 HydrophobicContact CD1-CG1 3.89Å; Y534-V579 HydrophobicContact CE1-CG1 4.34Å; L546-V579 HydrophobicContact CB-CB 4.25Å; L546-V579 HydrophobicContact CB-CG1 3.95Å; L546-V579 HydrophobicContact CB-CG2 4.36Å; L546-V579 WeakPolarHBondContact O-CG2 3.11Å; K548-V579 HydrophobicContact CB-CB 4.36Å; K548-V579 HydrophobicContact CB-CG1 4.04Å; K548-V579 HydrophobicContact CB-CG2 4.2Å; V579-D603 HydrophobicContact CB-CB 4.48Å; V579-D603 WeakPolarHBondContact CB-OD2 3.37Å; V579-D603 HydrophobicContact CG2-CB 4.07Å; V579-D603 PolarHBondContact N-OD2 2.86Å
580	L	93.8	Very high	94.3	Very high	34 Å²	34	32.7 Å²	32.7	18%	0.178	16%	0.162	C	C	.	.			trans	-120	142.2	-175.3	-61.9	179.2	0	0	0	112.1	Y476 Y534 K548 Q577 S578 R582	Y476-L580 HydrophobicContact CE2-CB 4.39Å; Y476-L580 HydrophobicContact CE2-CD1 4.2Å; Y476-L580 HydrophobicContact CE2-CD2 3.99Å; Y476-L580 HydrophobicContact CE2-CG 4.44Å; Y534-L580 PolarHBondContact OH-O 2.64Å; K548-L580 PolarHBondContact NZ-O 2.8Å; Q577-L580 HydrophobicContact CB-CD1 4.48Å; Q577-L580 HydrophobicContact CB-CD2 3.82Å; Q577-L580 HydrophobicContact CB-CG 4.21Å; S578-L580 PolarHBondContact O-N 3.41Å; S578-L580 VanDerWaalsContact O-N 3.15Å; L580-R582 HydrophobicContact CB-CB 4.41Å; L580-R582 PolarHBondContact O-N 3.26Å
581	E	93	Very high	94.3	Very high	83 Å²	83	32.6 Å²	32.6	39%	0.388	16%	0.161	S	C	.	.			trans	-76.2	5.5	172.9	-80	-178.8	-147	0	0	114.4	S475 G494 P495 Y534 L583	S475-E581 VanDerWaalsContact CB-OE2 3.31Å; S475-E581 WeakPolarHBondContact CB-OE2 3.46Å; S475-E581 WeakPolarHBondContact OG-CB 3.43Å; S475-E581 PolarHBondContact OG-OE2 2.83Å; G494-E581 CarbonylContact C-O 3.5Å; G494-E581 WeakPolarHBondContact CA-O 3.35Å; P495-E581 WeakPolarHBondContact CA-O 3.5Å; P495-E581 HydrophobicContact CG-CB 4.11Å; P495-E581 HydrophobicContact CG-CG 4.36Å; Y534-E581 HydrophobicContact CE1-CG 4.26Å; Y534-E581 HydrophobicContact CE2-CG 3.87Å; E581-L583 PolarHBondContact O-N 2.89Å
582	R	92.8	Very high	94.2	Very high	96 Å²	96	29 Å²	29	36%	0.362	15%	0.147	S	C	.	.	S	Bend	trans	-57.1	133.4	167.1	-166.2	179.9	61.2	76.3	-6.6	110.2	Y476 Q493 K548 L580 D584	Y476-R582 HydrophobicContact CD1-CB 3.58Å; Y476-R582 HydrophobicContact CD1-CG 3.8Å; Y476-R582 HydrophobicContact CE1-CB 3.91Å; Y476-R582 HydrophobicContact CE1-CG 4.02Å; Y476-R582 HydrophobicContact CG-CB 3.92Å; Q493-R582 HydrophobicContact CB-CG 4.3Å; Q493-R582 WeakPolarHBondContact O-CG 3.38Å; K548-R582 PolarHBondContact NZ-O 3.34Å; L580-R582 HydrophobicContact CB-CB 4.41Å; L580-R582 PolarHBondContact O-N 3.26Å; R582-D584 IonicContact CZ-OD1 3.64Å; R582-D584 VanDerWaalsContact CZ-OD1 3.23Å; R582-D584 IonicContact NH1-OD1 3.42Å; R582-D584 PolarHBondContact NH1-OD1 3.05Å; R582-D584 IonicContact NH2-OD1 2.84Å; R582-D584 PolarHBondContact NH2-OD1 3.28Å
583	L	92	Very high	94.3	Very high	35 Å²	35	28.8 Å²	28.8	18%	0.183	15%	0.145	C	C	.	.			trans	-68.8	132.2	168.6	-174.3	60.6	0	0	0	108.7	Q493 I497 F524 E581	Q493-L583 PolarHBondContact O-N 2.91Å; I497-L583 HydrophobicContact CG1-CD2 4.15Å; F524-L583 HydrophobicContact CE2-CD2 4.04Å; E581-L583 PolarHBondContact O-N 2.89Å
584	D	85.6	Confident	94.2	Very high	46 Å²	46	31.7 Å²	31.7	25%	0.246	16%	0.161	C	C	.	.			trans	-133.1	140	-178.3	-162.2	60.1	0	0	0	109.8	R582 S586 T589	R582-D584 IonicContact CZ-OD1 3.64Å; R582-D584 VanDerWaalsContact CZ-OD1 3.23Å; R582-D584 IonicContact NH1-OD1 3.42Å; R582-D584 PolarHBondContact NH1-OD1 3.05Å; R582-D584 IonicContact NH2-OD1 2.84Å; R582-D584 PolarHBondContact NH2-OD1 3.28Å; D584-S586 WeakPolarHBondContact OD2-CB 3.27Å; D584-S586 PolarHBondContact OD2-OG 3.45Å; D584-T589 WeakPolarHBondContact O-CG2 3.42Å
585	F	89.7	Confident	94.2	Very high	46 Å²	46	35.8 Å²	35.8	20%	0.202	18%	0.176	C	C	.	.			trans	-132	91.2	-177.6	-163.6	-117.3	0	0	0	108.1	I48 D52 I53 F524 F529	I48-F585 HydrophobicContact CD1-CD2 4.3Å; I48-F585 HydrophobicContact CD1-CE2 3.67Å; I48-F585 HydrophobicContact CG1-CE2 3.92Å; I48-F585 HydrophobicContact CG1-CZ 4.43Å; I48-F585 HydrophobicContact CG2-CE2 3.9Å; I48-F585 HydrophobicContact CG2-CZ 3.91Å; D52-F585 HydrophobicContact CB-CE1 4.18Å; D52-F585 HydrophobicContact CB-CZ 4.01Å; D52-F585 WeakPolarHBondContact O-CE1 3.46Å; I53-F585 HydrophobicContact CG1-CD1 4.16Å; I53-F585 HydrophobicContact CG1-CE1 4.13Å; I53-F585 HydrophobicContact CG1-CZ 4.48Å; F524-F585 HydrophobicContact CE1-CD1 4.38Å; F524-F585 HydrophobicContact CE1-CD2 4.32Å; F524-F585 HydrophobicContact CE1-CE1 4.19Å; F524-F585 HydrophobicContact CE1-CE2 4.13Å; F524-F585 HydrophobicContact CE1-CG 4.43Å; F524-F585 HydrophobicContact CE1-CZ 4.07Å; F524-F585 HydrophobicContact CZ-CB 4.42Å; F524-F585 HydrophobicContact CZ-CD1 4.3Å; F524-F585 AromaticContact CZ-CD2 3.99Å; F524-F585 HydrophobicContact CZ-CD2 3.99Å; F524-F585 HydrophobicContact CZ-CE2 4.26Å; F524-F585 HydrophobicContact CZ-CG 4.01Å; F529-F585 AromaticContact CE1-CD2 3.75Å; F529-F585 HydrophobicContact CE1-CD2 3.75Å; F529-F585 AromaticContact CE1-CE2 3.9Å; F529-F585 HydrophobicContact CE1-CE2 3.9Å; F529-F585 AromaticContact CZ-CD2 3.91Å; F529-F585 HydrophobicContact CZ-CD2 3.91Å; F529-F585 AromaticContact CZ-CE2 3.69Å; F529-F585 HydrophobicContact CZ-CE2 3.69Å
586	S	93.6	Very high	94.1	Very high	22 Å²	22	39.4 Å²	39.4	15%	0.154	19%	0.189	C	C	.	.	S	Bend	trans	-149.8	177.2	-159.7	65.9	0	0	0	0	111.1	I53 D584 D588 T589 Y590	I53-S586 WeakPolarHBondContact CD1-O 3.24Å; D584-S586 WeakPolarHBondContact OD2-CB 3.27Å; D584-S586 PolarHBondContact OD2-OG 3.45Å; S586-D588 PolarHBondContact O-N 2.96Å; S586-D588 VanDerWaalsContact O-N 3.09Å; S586-T589 PolarHBondContact N-OG1 2.95Å; S586-T589 PolarHBondContact O-N 3.37Å; S586-T589 PolarHBondContact O-OG1 2.64Å; S586-Y590 PolarHBondContact O-N 3.42Å
587	F	97.3	Very high	94	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.009	18%	0.18	C	C	.	.	H	α-helix	trans	-52.3	-35.3	179.7	-173.7	-113.7	0	0	0	112.8	T589 Y590 L591 W667 N789 M792 D793 L796	F587-T589 PolarHBondContact O-N 3.42Å; F587-Y590 HydrophobicContact CD2-CD1 4.09Å; F587-Y590 AromaticContact CE2-CD1 3.9Å; F587-Y590 HydrophobicContact CE2-CD1 3.9Å; F587-Y590 HydrophobicContact CE2-CE1 4.18Å; F587-Y590 WeakPolarHBondContact O-CB 3.33Å; F587-Y590 PolarHBondContact O-N 2.81Å; F587-L591 HydrophobicContact CD1-CD1 3.97Å; F587-L591 HydrophobicContact CD1-CG 4.21Å; F587-L591 HydrophobicContact CE1-CD1 3.66Å; F587-L591 HydrophobicContact CE1-CD2 3.98Å; F587-L591 HydrophobicContact CE1-CG 3.89Å; F587-L591 HydrophobicContact CE2-CD2 4.4Å; F587-L591 HydrophobicContact CZ-CD1 4.34Å; F587-L591 HydrophobicContact CZ-CD2 3.79Å; F587-L591 HydrophobicContact CZ-CG 4.13Å; F587-L591 WeakPolarHBondContact O-CG 3.26Å; F587-L591 PolarHBondContact O-N 3.46Å; F587-W667 HydrophobicContact CD1-CZ2 4.1Å; F587-N789 HydrophobicContact CD2-CB 3.77Å; F587-N789 HydrophobicContact CE2-CB 4.1Å; F587-N789 WeakPolarHBondContact CE2-O 3.41Å; F587-M792 HydrophobicContact CD1-CE 3.77Å; F587-M792 HydrophobicContact CE1-CB 3.85Å; F587-M792 HydrophobicContact CE1-CE 3.72Å; F587-M792 HydrophobicContact CE2-CB 4.43Å; F587-M792 HydrophobicContact CZ-CB 3.68Å; F587-D793 HydrophobicContact CE2-CB 4.01Å; F587-D793 HydrophobicContact CZ-CB 4.02Å; F587-L796 HydrophobicContact CE1-CD1 4.17Å; F587-L796 HydrophobicContact CZ-CD1 4.39Å
588	D	97.1	Very high	93.9	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.032	16%	0.163	C	C	.	.	H	α-helix	trans	-66.3	-35.1	179	-63.9	-54.4	0	0	0	112.9	L550 K569 S586 L591 A592 V599 Y601 W667	L550-D588 HydrophobicContact CD2-CB 4.48Å; K569-D588 WeakPolarHBondContact CE-OD2 3.2Å; S586-D588 PolarHBondContact O-N 2.96Å; S586-D588 VanDerWaalsContact O-N 3.09Å; D588-L591 PolarHBondContact O-N 2.79Å; D588-A592 PolarHBondContact O-N 2.52Å; D588-V599 HydrophobicContact CB-CG1 4.06Å; D588-Y601 WeakPolarHBondContact CB-OH 3.42Å; D588-Y601 PolarHBondContact OD2-OH 2.75Å; D588-W667 PolarHBondContact OD1-NE1 2.98Å; D588-W667 WeakPolarHBondContact OD2-CZ2 3.29Å
589	T	96	Very high	93.8	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-75.5	-27.4	173.5	62.1	0	0	0	0	112.9	P530 L550 D584 S586 F587 S593	P530-T589 HydrophobicContact CG-CG2 4.34Å; L550-T589 HydrophobicContact CD2-CG2 3.92Å; D584-T589 WeakPolarHBondContact O-CG2 3.42Å; S586-T589 PolarHBondContact N-OG1 2.95Å; S586-T589 PolarHBondContact O-N 3.37Å; S586-T589 PolarHBondContact O-OG1 2.64Å; F587-T589 PolarHBondContact O-N 3.42Å; T589-S593 WeakPolarHBondContact O-CB 3.41Å; T589-S593 PolarHBondContact O-N 2.91Å
590	Y	97.5	Very high	93.7	Very high	11 Å²	11	33.1 Å²	33.1	4%	0.043	15%	0.153	C	C	.	.	H	α-helix	trans	-66.1	-44.5	168.6	160.7	-93.1	0	0	0	112.3	I48 I50 I53 S586 F587 A592 S593 N594 R595 D793	I48-Y590 WeakPolarHBondContact O-CD2 3.37Å; I50-Y590 HydrophobicContact CD1-CE1 4.13Å; I50-Y590 HydrophobicContact CD1-CE2 4.5Å; I50-Y590 HydrophobicContact CG1-CD1 4.17Å; I50-Y590 HydrophobicContact CG1-CD2 3.99Å; I50-Y590 HydrophobicContact CG1-CE1 4Å; I50-Y590 HydrophobicContact CG1-CE2 3.79Å; I50-Y590 HydrophobicContact CG1-CG 4.18Å; I53-Y590 HydrophobicContact CD1-CG 4.44Å; S586-Y590 PolarHBondContact O-N 3.42Å; F587-Y590 HydrophobicContact CD2-CD1 4.09Å; F587-Y590 AromaticContact CE2-CD1 3.9Å; F587-Y590 HydrophobicContact CE2-CD1 3.9Å; F587-Y590 HydrophobicContact CE2-CE1 4.18Å; F587-Y590 WeakPolarHBondContact O-CB 3.33Å; F587-Y590 PolarHBondContact O-N 2.81Å; Y590-A592 VanDerWaalsContact C-N 3.3Å; Y590-A592 PolarHBondContact O-N 2.98Å; Y590-S593 PolarHBondContact O-N 2.86Å; Y590-N594 HydrophobicContact CD2-CB 3.59Å; Y590-N594 HydrophobicContact CE2-CB 3.42Å; Y590-N594 VanDerWaalsContact CE2-CB 3.42Å; Y590-N594 VanDerWaalsContact CE2-CG 3.45Å; Y590-N594 HydrophobicContact CG-CB 4.38Å; Y590-N594 VanDerWaalsContact O-CB 3.23Å; Y590-N594 WeakPolarHBondContact O-CB 3.4Å; Y590-N594 PolarHBondContact O-N 3.26Å; Y590-R595 HydrophobicContact CE1-CG 3.99Å; Y590-R595 PolarHBondContact OH-NE 2.83Å; Y590-R595 VanDerWaalsContact OH-NE 3.12Å; Y590-D793 HydrophobicContact CE1-CB 4.2Å; Y590-D793 WeakPolarHBondContact CE1-OD1 3.4Å; Y590-D793 PolarHBondContact OH-OD1 3.21Å; Y590-D793 PolarHBondContact OH-OD2 3.14Å; Y590-D793 VanDerWaalsContact OH-OD2 3.06Å
591	L	97.4	Very high	93.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.8	-41.9	178.1	-69.8	179.1	0	0	0	111.8	V567 F587 D588 R595 K596 Y597 V599 L796	V567-L591 HydrophobicContact CG1-CD1 4.34Å; V567-L591 HydrophobicContact CG2-CD1 4.36Å; F587-L591 HydrophobicContact CD1-CD1 3.97Å; F587-L591 HydrophobicContact CD1-CG 4.21Å; F587-L591 HydrophobicContact CE1-CD1 3.66Å; F587-L591 HydrophobicContact CE1-CD2 3.98Å; F587-L591 HydrophobicContact CE1-CG 3.89Å; F587-L591 HydrophobicContact CE2-CD2 4.4Å; F587-L591 HydrophobicContact CZ-CD1 4.34Å; F587-L591 HydrophobicContact CZ-CD2 3.79Å; F587-L591 HydrophobicContact CZ-CG 4.13Å; F587-L591 WeakPolarHBondContact O-CG 3.26Å; F587-L591 PolarHBondContact O-N 3.46Å; D588-L591 PolarHBondContact O-N 2.79Å; L591-R595 HydrophobicContact CD2-CG 4.35Å; L591-R595 CarbonylContact O-C 3.54Å; L591-R595 WeakPolarHBondContact O-CB 3.08Å; L591-R595 PolarHBondContact O-N 2.89Å; L591-K596 PolarHBondContact O-N 3.43Å; L591-K596 VanDerWaalsContact O-N 3.1Å; L591-Y597 HydrophobicContact CB-CD2 4.32Å; L591-Y597 HydrophobicContact CD2-CD2 3.94Å; L591-Y597 HydrophobicContact CD2-CE2 4.11Å; L591-Y597 PolarHBondContact O-N 3.05Å; L591-V599 HydrophobicContact CB-CG2 3.8Å; L591-V599 HydrophobicContact CD1-CG2 4.35Å; L591-L796 HydrophobicContact CD1-CD1 3.86Å; L591-L796 HydrophobicContact CD2-CD1 3.8Å
592	A	95.3	Very high	93.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-73.6	-44.8	176.5	0	0	0	0	0	113.2	P530 L550 P552 D588 Y590 K596 Y597 V599	P530-A592 HydrophobicContact CB-CB 3.68Å; P530-A592 HydrophobicContact CG-CB 4.29Å; L550-A592 HydrophobicContact CB-CB 3.87Å; P552-A592 WeakPolarHBondContact CA-O 3.16Å; D588-A592 PolarHBondContact O-N 2.52Å; Y590-A592 VanDerWaalsContact C-N 3.3Å; Y590-A592 PolarHBondContact O-N 2.98Å; A592-K596 WeakPolarHBondContact O-CA 3.45Å; A592-Y597 VanDerWaalsContact CA-O 3.29Å; A592-Y597 WeakPolarHBondContact CA-O 3.13Å; A592-V599 HydrophobicContact CB-CG2 4.45Å
593	S	95.6	Very high	93.9	Very high	6 Å²	6	25 Å²	25	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-70.7	-44.3	-177.1	-179.6	0	0	0	0	114.2	I48 R528 T589 Y590	I48-S593 PolarHBondContact N-OG 2.77Å; R528-S593 WeakPolarHBondContact O-CB 3.49Å; R528-S593 PolarHBondContact O-OG 2.9Å; T589-S593 WeakPolarHBondContact O-CB 3.41Å; T589-S593 PolarHBondContact O-N 2.91Å; Y590-S593 PolarHBondContact O-N 2.86Å
594	N	95.5	Very high	94	Very high	62 Å²	62	23.4 Å²	23.4	33%	0.332	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-56.4	-168.9	-160.5	-68.2	0	0	0	111.9	P47 I48 Y590 K596	P47-N594 HydrophobicContact CB-CB 4.36Å; I48-N594 WeakPolarHBondContact O-CB 3.45Å; I48-N594 PolarHBondContact O-ND2 3.36Å; Y590-N594 HydrophobicContact CD2-CB 3.59Å; Y590-N594 HydrophobicContact CE2-CB 3.42Å; Y590-N594 VanDerWaalsContact CE2-CB 3.42Å; Y590-N594 VanDerWaalsContact CE2-CG 3.45Å; Y590-N594 HydrophobicContact CG-CB 4.38Å; Y590-N594 VanDerWaalsContact O-CB 3.23Å; Y590-N594 WeakPolarHBondContact O-CB 3.4Å; Y590-N594 PolarHBondContact O-N 3.26Å; N594-K596 VanDerWaalsContact C-N 3.26Å; N594-K596 PolarHBondContact O-N 2.82Å
595	R	94.5	Very high	94.5	Very high	89 Å²	89	22.6 Å²	22.6	34%	0.336	10%	0.104	S	C	.	.	S	Bend	trans	-78	-10.6	-178.8	-63.7	-60.5	-170.6	-174.5	-0.1	113.4	Y590 L591 Y597 D793	Y590-R595 HydrophobicContact CE1-CG 3.99Å; Y590-R595 PolarHBondContact OH-NE 2.83Å; Y590-R595 VanDerWaalsContact OH-NE 3.12Å; L591-R595 HydrophobicContact CD2-CG 4.35Å; L591-R595 CarbonylContact O-C 3.54Å; L591-R595 WeakPolarHBondContact O-CB 3.08Å; L591-R595 PolarHBondContact O-N 2.89Å; R595-Y597 VanDerWaalsContact C-N 3.28Å; R595-Y597 HydrophobicContact CB-CD1 3.92Å; R595-Y597 HydrophobicContact CB-CD2 3.92Å; R595-Y597 HydrophobicContact CB-CE1 3.73Å; R595-Y597 HydrophobicContact CB-CE2 3.73Å; R595-Y597 HydrophobicContact CB-CG 4.02Å; R595-Y597 HydrophobicContact CG-CE2 4.2Å; R595-Y597 WeakPolarHBondContact O-CD1 3.19Å; R595-Y597 VanDerWaalsContact O-CE1 3.26Å; R595-Y597 WeakPolarHBondContact O-CE1 3.23Å; R595-Y597 PolarHBondContact O-N 3.44Å; R595-D793 WeakPolarHBondContact CG-OD1 3.33Å; R595-D793 IonicContact CZ-OD1 3.74Å; R595-D793 IonicContact CZ-OD2 2.63Å; R595-D793 IonicContact NE-OD1 3.83Å; R595-D793 PolarHBondContact NE-OD1 2.82Å; R595-D793 IonicContact NE-OD2 3.32Å; R595-D793 PolarHBondContact NE-OD2 3.08Å; R595-D793 IonicContact NH2-OD1 2.67Å; R595-D793 IonicContact NH2-OD2 2.76Å; R595-D793 PolarHBondContact NH2-OD2 3.25Å
596	K	91.9	Very high	94.8	Very high	120 Å²	120	20.4 Å²	20.4	52%	0.522	10%	0.095	S	C	.	.			trans	57.4	36.4	-176.8	-56.5	-171.5	178.1	-172.6	0	113.5	P552 L591 A592 N594	P552-K596 HydrophobicContact CB-CB 4Å; P552-K596 HydrophobicContact CB-CG 4.19Å; P552-K596 HydrophobicContact CG-CB 3.85Å; P552-K596 WeakPolarHBondContact CG-O 3.45Å; L591-K596 PolarHBondContact O-N 3.43Å; L591-K596 VanDerWaalsContact O-N 3.1Å; A592-K596 WeakPolarHBondContact O-CA 3.45Å; N594-K596 VanDerWaalsContact C-N 3.26Å; N594-K596 PolarHBondContact O-N 2.82Å
597	Y	92.1	Very high	94.9	Very high	17 Å²	17	19.6 Å²	19.6	7%	0.067	9%	0.089	C	C	.	.			trans	-87.7	147.8	174	-56.8	-15.5	0	0	0	110.4	P565 V567 L591 A592 R595 V599 L796 F800	P565-Y597 HydrophobicContact CB-CD1 3.6Å; P565-Y597 HydrophobicContact CB-CE1 3.9Å; P565-Y597 HydrophobicContact CB-CG 4.1Å; P565-Y597 HydrophobicContact CG-CD1 3.68Å; P565-Y597 HydrophobicContact CG-CE1 3.69Å; P565-Y597 CarbonylContact O-C 3.57Å; P565-Y597 WeakPolarHBondContact O-CA 3.33Å; V567-Y597 HydrophobicContact CG2-CD2 3.99Å; L591-Y597 HydrophobicContact CB-CD2 4.32Å; L591-Y597 HydrophobicContact CD2-CD2 3.94Å; L591-Y597 HydrophobicContact CD2-CE2 4.11Å; L591-Y597 PolarHBondContact O-N 3.05Å; A592-Y597 VanDerWaalsContact CA-O 3.29Å; A592-Y597 WeakPolarHBondContact CA-O 3.13Å; R595-Y597 VanDerWaalsContact C-N 3.28Å; R595-Y597 HydrophobicContact CB-CD1 3.92Å; R595-Y597 HydrophobicContact CB-CD2 3.92Å; R595-Y597 HydrophobicContact CB-CE1 3.73Å; R595-Y597 HydrophobicContact CB-CE2 3.73Å; R595-Y597 HydrophobicContact CB-CG 4.02Å; R595-Y597 HydrophobicContact CG-CE2 4.2Å; R595-Y597 WeakPolarHBondContact O-CD1 3.19Å; R595-Y597 VanDerWaalsContact O-CE1 3.26Å; R595-Y597 WeakPolarHBondContact O-CE1 3.23Å; R595-Y597 PolarHBondContact O-N 3.44Å; Y597-V599 PolarHBondContact O-N 3.2Å; Y597-L796 HydrophobicContact CE2-CB 4.18Å; Y597-F800 HydrophobicContact CD2-CD2 4.34Å; Y597-F800 AromaticContact CD2-CE2 3.94Å; Y597-F800 HydrophobicContact CD2-CE2 3.94Å; Y597-F800 HydrophobicContact CE1-CD2 4.05Å; Y597-F800 AromaticContact CE2-CD2 3.78Å; Y597-F800 HydrophobicContact CE2-CD2 3.78Å; Y597-F800 AromaticContact CE2-CE2 3.77Å; Y597-F800 HydrophobicContact CE2-CE2 3.77Å; Y597-F800 HydrophobicContact CG-CE2 4.41Å; Y597-F800 AromaticContact CZ-CD2 3.61Å
598	V	91.7	Very high	94.7	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	115.3	169.2	-174.7	0	0	0	0	108.4	I549 L550 Y551 L564 P565 A566 V567 V600 F652 V659	I549-V598 HydrophobicContact CG2-CG1 3.58Å; L550-V598 WeakPolarHBondContact O-CA 3.3Å; Y551-V598 HydrophobicContact CD1-CG1 4.07Å; Y551-V598 HydrophobicContact CD1-CG2 4.07Å; Y551-V598 HydrophobicContact CE1-CG1 4.27Å; L564-V598 HydrophobicContact CB-CG2 4.13Å; L564-V598 HydrophobicContact CD1-CG2 3.81Å; P565-V598 PolarHBondContact O-N 2.72Å; A566-V598 CarbonylContact C-O 3.33Å; A566-V598 VanDerWaalsContact CA-O 3.26Å; A566-V598 WeakPolarHBondContact CA-O 3.31Å; A566-V598 HydrophobicContact CB-CB 4.43Å; V567-V598 PolarHBondContact N-O 2.75Å; V598-V600 HydrophobicContact CG1-CG2 4.15Å; V598-F652 HydrophobicContact CG1-CE1 3.88Å; V598-F652 HydrophobicContact CG1-CZ 3.97Å; V598-V659 HydrophobicContact CB-CG2 4.48Å; V598-V659 HydrophobicContact CG2-CG2 4.13Å
599	V	93.4	Very high	94.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.2	177.2	-171.5	0	0	0	0	109.6	I549 L550 V567 K569 D588 L591 A592 Y597 Y601	I549-V599 WeakPolarHBondContact CA-O 3.43Å; L550-V599 HydrophobicContact CB-CB 4.23Å; L550-V599 PolarHBondContact N-O 2.81Å; L550-V599 PolarHBondContact O-N 3.03Å; V567-V599 HydrophobicContact CB-CG2 4.46Å; V567-V599 WeakPolarHBondContact O-CA 3.06Å; K569-V599 HydrophobicContact CB-CG1 4.04Å; D588-V599 HydrophobicContact CB-CG1 4.06Å; L591-V599 HydrophobicContact CB-CG2 3.8Å; L591-V599 HydrophobicContact CD1-CG2 4.35Å; A592-V599 HydrophobicContact CB-CG2 4.45Å; Y597-V599 PolarHBondContact O-N 3.2Å; V599-Y601 HydrophobicContact CG1-CE2 4.33Å
600	V	93.1	Very high	94.1	Very high	15 Å²	15	22.3 Å²	22.3	9%	0.091	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.2	-174.8	-176	0	0	0	0	110.1	L547 K548 I549 V567 L568 K569 V598 I602	L547-V600 HydrophobicContact CD2-CG1 4.28Å; L547-V600 HydrophobicContact CG-CG1 4.44Å; K548-V600 WeakPolarHBondContact O-CA 3.49Å; I549-V600 HydrophobicContact CG1-CG1 4.32Å; I549-V600 HydrophobicContact CG1-CG2 4.29Å; I549-V600 HydrophobicContact CG2-CG2 4.41Å; V567-V600 PolarHBondContact O-N 2.78Å; L568-V600 WeakPolarHBondContact CD1-O 2.99Å; K569-V600 PolarHBondContact N-O 2.86Å; V598-V600 HydrophobicContact CG1-CG2 4.15Å; V600-I602 HydrophobicContact CG1-CG1 4.01Å
601	Y	94.5	Very high	93.9	Very high	25 Å²	25	21.8 Å²	21.8	10%	0.098	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	145.3	166.8	-55.3	-108.8	0	0	0	108.4	L547 K548 L550 K569 D588 V599	L547-Y601 VanDerWaalsContact CA-O 3.31Å; L547-Y601 WeakPolarHBondContact CA-O 3.32Å; K548-Y601 HydrophobicContact CB-CD2 4.11Å; K548-Y601 HydrophobicContact CB-CG 4.46Å; K548-Y601 HydrophobicContact CD-CD2 4.31Å; K548-Y601 HydrophobicContact CG-CD2 4.22Å; K548-Y601 PolarHBondContact N-O 3.4Å; K548-Y601 VanDerWaalsContact N-O 3.16Å; K548-Y601 PolarHBondContact O-N 3.46Å; L550-Y601 HydrophobicContact CD1-CD2 4.39Å; L550-Y601 HydrophobicContact CD1-CE2 3.89Å; K569-Y601 HydrophobicContact CB-CD1 3.96Å; K569-Y601 HydrophobicContact CB-CE1 3.86Å; K569-Y601 HydrophobicContact CB-CE2 4.5Å; K569-Y601 HydrophobicContact CB-CG 4.35Å; K569-Y601 HydrophobicContact CD-CE1 4.49Å; K569-Y601 HydrophobicContact CG-CD1 3.58Å; K569-Y601 HydrophobicContact CG-CE1 3.19Å; K569-Y601 HydrophobicContact CG-CG 4.44Å; D588-Y601 WeakPolarHBondContact CB-OH 3.42Å; D588-Y601 PolarHBondContact OD2-OH 2.75Å; V599-Y601 HydrophobicContact CG1-CE2 4.33Å
602	I	93.5	Very high	93.7	Very high	11 Å²	11	22.2 Å²	22.2	6%	0.056	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	123.4	-179	-50.6	177.5	0	0	0	109.6	A545 L546 L547 L568 V600 Q630 A633	A545-I602 HydrophobicContact CB-CG2 3.91Å; L546-I602 WeakPolarHBondContact O-CA 3.42Å; L547-I602 HydrophobicContact CD1-CG2 4.32Å; L547-I602 HydrophobicContact CG-CG1 4.3Å; L568-I602 HydrophobicContact CD1-CD1 3.73Å; L568-I602 HydrophobicContact CD1-CG1 3.8Å; V600-I602 HydrophobicContact CG1-CG1 4.01Å; I602-Q630 PolarHBondContact O-NE2 2.9Å; I602-A633 HydrophobicContact CG2-CB 4.13Å
603	D	95.4	Very high	93.6	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.027	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	104.4	171	-74.4	-21.8	0	0	0	110.3	A545 L546 S578 V579 R610	A545-D603 WeakPolarHBondContact CA-O 3.29Å; L546-D603 HydrophobicContact CB-CB 4.46Å; L546-D603 PolarHBondContact N-O 2.86Å; L546-D603 PolarHBondContact O-N 2.81Å; S578-D603 VanDerWaalsContact CB-OD1 3.22Å; S578-D603 WeakPolarHBondContact CB-OD1 3.45Å; S578-D603 VanDerWaalsContact N-CG 3.31Å; S578-D603 PolarHBondContact N-OD1 2.84Å; S578-D603 PolarHBondContact N-OD2 2.84Å; S578-D603 PolarHBondContact OG-OD1 3.2Å; V579-D603 HydrophobicContact CB-CB 4.48Å; V579-D603 WeakPolarHBondContact CB-OD2 3.37Å; V579-D603 HydrophobicContact CG2-CB 4.07Å; V579-D603 PolarHBondContact N-OD2 2.86Å; D603-R610 PolarHBondContact O-NH1 2.86Å; D603-R610 VanDerWaalsContact O-NH1 3.15Å
604	G	94.4	Very high	93.6	Very high	2 Å²	2	24 Å²	24	2%	0.021	11%	0.113	C	C	.	.			trans	-105.5	-144.3	178.6	0	0	0	0	0	112.8	S607	G604-S607 WeakPolarHBondContact O-CB 3.47Å; G604-S607 PolarHBondContact O-N 2.83Å; G604-S607 PolarHBondContact O-OG 2.84Å
605	R	95.9	Very high	93.5	Very high	29 Å²	29	21.6 Å²	21.6	11%	0.109	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	148.2	166.2	-69	171.6	-66.5	167.8	2.8	110.3	N541 Y543 S607 P625 E626 Q628 D629	N541-R605 PolarHBondContact ND2-NH2 2.99Å; Y543-R605 HydrophobicContact CD1-CG 3.54Å; Y543-R605 HydrophobicContact CD2-CG 4.35Å; Y543-R605 HydrophobicContact CE1-CG 3.66Å; Y543-R605 HydrophobicContact CE2-CG 4.46Å; Y543-R605 HydrophobicContact CG-CG 3.92Å; R605-S607 VanDerWaalsContact C-N 3.3Å; R605-P625 HydrophobicContact CB-CB 4.38Å; R605-P625 PolarHBondContact NH2-O 2.9Å; R605-E626 WeakPolarHBondContact O-CB 3.35Å; R605-Q628 VanDerWaalsContact NH2-CD 3.35Å; R605-D629 WeakPolarHBondContact CB-OD2 3.46Å; R605-D629 WeakPolarHBondContact CG-OD2 3.38Å; R605-D629 IonicContact CZ-OD1 3.57Å; R605-D629 VanDerWaalsContact CZ-OD1 3.29Å; R605-D629 IonicContact CZ-OD2 2.82Å; R605-D629 PolarHBondContact N-OD2 2.98Å; R605-D629 VanDerWaalsContact NE-CG 3.32Å; R605-D629 IonicContact NE-OD1 3.51Å; R605-D629 PolarHBondContact NE-OD1 3.16Å; R605-D629 VanDerWaalsContact NE-OD1 3.13Å; R605-D629 IonicContact NE-OD2 3.83Å; R605-D629 PolarHBondContact NE-OD2 3.46Å; R605-D629 IonicContact NH2-OD1 2.77Å; R605-D629 PolarHBondContact NH2-OD1 2.83Å; R605-D629 IonicContact NH2-OD2 3.04Å
606	G	95.6	Very high	93.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.01	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-24.1	-169.1	0	0	0	0	0	114.4	P574 N575 Y614	P574-G606 CarbonylContact C-O 3.58Å; N575-G606 PolarHBondContact N-O 3.26Å; G606-Y614 PolarHBondContact N-O 2.93Å
607	S	95.7	Very high	93.6	Very high	5 Å²	5	14 Å²	14	4%	0.035	8%	0.076	C	C	.	.			trans	-66.8	141.9	-178.2	62	0	0	0	0	113.7	T576 G604 R605 R610 T615	T576-S607 VanDerWaalsContact O-CA 3.28Å; T576-S607 WeakPolarHBondContact O-CA 3.36Å; G604-S607 WeakPolarHBondContact O-CB 3.47Å; G604-S607 PolarHBondContact O-N 2.83Å; G604-S607 PolarHBondContact O-OG 2.84Å; R605-S607 VanDerWaalsContact C-N 3.3Å; S607-R610 PolarHBondContact OG-NH1 2.58Å; S607-T615 VanDerWaalsContact O-CG2 3.27Å; S607-T615 WeakPolarHBondContact O-CG2 3.38Å
608	G	92.7	Very high	93.8	Very high	2 Å²	2	13.2 Å²	13.2	2%	0.021	7%	0.073	C	C	.	.	S	Bend	trans	-80.8	174.4	-179.2	0	0	0	0	0	114.6	N575 T576 Q577 R610	N575-G608 WeakPolarHBondContact OD1-CA 3.48Å; T576-G608 PolarHBondContact O-N 2.03Å; Q577-G608 PolarHBondContact NE2-O 2.85Å; G608-R610 WeakPolarHBondContact O-CG 3.45Å; G608-R610 PolarHBondContact O-N 3.33Å
609	A	89.2	Confident	94	Very high	32 Å²	32	14 Å²	14	26%	0.264	8%	0.076	S	C	.	.	S	Bend	trans	54.8	31	178.9	0	0	0	0	0	115.5	E438 Q577	E438-A609 HydrophobicContact CB-CB 4.38Å; E438-A609 VanDerWaalsContact OE2-C 3.24Å; E438-A609 WeakPolarHBondContact OE2-CA 3.4Å; E438-A609 PolarHBondContact OE2-N 3.11Å; Q577-A609 VanDerWaalsContact NE2-CB 3.26Å
610	R	91.2	Very high	94.1	Very high	36 Å²	36	18.6 Å²	18.6	14%	0.136	9%	0.093	C	C	.	.	S	Bend	trans	-136.3	8.5	-177.9	-62.5	176	76.8	-157.1	3	113.1	E438 T544 D603 S607 G608 Y614	E438-R610 PolarHBondContact OE2-N 2.93Å; T544-R610 PolarHBondContact O-NH1 3.18Å; T544-R610 PolarHBondContact O-NH2 3.3Å; D603-R610 PolarHBondContact O-NH1 2.86Å; D603-R610 VanDerWaalsContact O-NH1 3.15Å; S607-R610 PolarHBondContact OG-NH1 2.58Å; G608-R610 WeakPolarHBondContact O-CG 3.45Å; G608-R610 PolarHBondContact O-N 3.33Å; R610-Y614 HydrophobicContact CB-CD2 3.66Å; R610-Y614 HydrophobicContact CB-CE2 4.35Å; R610-Y614 HydrophobicContact CB-CG 4.04Å; R610-Y614 PolarHBondContact NH2-OH 3.42Å; R610-Y614 WeakPolarHBondContact O-CD2 3.3Å
611	G	92.7	Very high	94.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.112	C	C	.	.			trans	80.4	167.5	179.8	0	0	0	0	0	114.4	R411 E438 K613 Y614 T615	R411-G611 CarbonylContact O-C 3.58Å; R411-G611 VanDerWaalsContact O-CA 3.26Å; R411-G611 WeakPolarHBondContact O-CA 3.45Å; E438-G611 VanDerWaalsContact CD-N 3.34Å; E438-G611 WeakPolarHBondContact OE2-CA 3.31Å; E438-G611 PolarHBondContact OE2-N 2.81Å; G611-K613 PolarHBondContact O-N 2.9Å; G611-K613 VanDerWaalsContact O-N 3.07Å; G611-Y614 PolarHBondContact O-N 2.83Å; G611-T615 PolarHBondContact O-N 3.21Å
612	S	94.2	Very high	94.2	Very high	8 Å²	8	22 Å²	22	6%	0.056	11%	0.108	C	C	.	.	H	α-helix	trans	-60	-25.5	-171.9	71.3	0	0	0	0	114.1	R411 Y614 T615 S616	R411-S612 PolarHBondContact N-OG 3.5Å; R411-S612 PolarHBondContact O-N 3.25Å; S612-Y614 PolarHBondContact O-N 2.96Å; S612-T615 WeakPolarHBondContact CA-OG1 3.11Å; S612-T615 PolarHBondContact O-N 2.84Å; S612-S616 WeakPolarHBondContact O-CB 3.45Å; S612-S616 PolarHBondContact O-N 3.05Å; S612-S616 PolarHBondContact O-OG 2.78Å
613	K	93.3	Very high	94.3	Very high	28 Å²	28	21.5 Å²	21.5	12%	0.122	11%	0.105	C	C	.	.	H	α-helix	trans	-41.5	-52.2	168	-170.1	172.6	-175.5	173.5	0	111.2	E403 Y410 Y543 G611 S617	E403-K613 IonicContact OE1-NZ 3.29Å; E403-K613 PolarHBondContact OE1-NZ 3.38Å; E403-K613 IonicContact OE2-NZ 2.7Å; E403-K613 PolarHBondContact OE2-NZ 3.29Å; Y410-K613 HydrophobicContact CD1-CB 3.54Å; Y410-K613 HydrophobicContact CD1-CG 4.11Å; Y410-K613 HydrophobicContact CD2-CB 4.13Å; Y410-K613 HydrophobicContact CD2-CD 4.02Å; Y410-K613 HydrophobicContact CD2-CG 4.38Å; Y410-K613 HydrophobicContact CE1-CB 3.71Å; Y410-K613 HydrophobicContact CE1-CD 4.3Å; Y410-K613 HydrophobicContact CE1-CG 3.75Å; Y410-K613 HydrophobicContact CE2-CB 4.29Å; Y410-K613 HydrophobicContact CE2-CD 3.66Å; Y410-K613 HydrophobicContact CE2-CG 4.05Å; Y410-K613 HydrophobicContact CG-CB 3.74Å; Y410-K613 HydrophobicContact CG-CD 4.48Å; Y410-K613 HydrophobicContact CG-CG 4.4Å; Y543-K613 HydrophobicContact CE1-CG 4.09Å; Y543-K613 WeakPolarHBondContact CE1-O 3.38Å; G611-K613 PolarHBondContact O-N 2.9Å; G611-K613 VanDerWaalsContact O-N 3.07Å; K613-S617 PolarHBondContact O-OG 2.96Å
614	Y	94.9	Very high	94.2	Very high	15 Å²	15	25.2 Å²	25.2	6%	0.059	12%	0.121	C	C	.	.	H	α-helix	trans	-83.1	-48.3	179.9	-69.1	-87.4	0	0	0	112	Y543 T544 G606 R610 G611 S612 S617	Y543-Y614 HydrophobicContact CD1-CD1 4.06Å; Y543-Y614 AromaticContact CD1-CE1 3.8Å; Y543-Y614 HydrophobicContact CD1-CE1 3.8Å; Y543-Y614 HydrophobicContact CG-CE1 4.44Å; T544-Y614 PolarHBondContact N-OH 3.24Å; T544-Y614 VanDerWaalsContact O-CE1 3.27Å; T544-Y614 WeakPolarHBondContact O-CE1 3.32Å; T544-Y614 PolarHBondContact O-OH 2.82Å; G606-Y614 PolarHBondContact N-O 2.93Å; R610-Y614 HydrophobicContact CB-CD2 3.66Å; R610-Y614 HydrophobicContact CB-CE2 4.35Å; R610-Y614 HydrophobicContact CB-CG 4.04Å; R610-Y614 PolarHBondContact NH2-OH 3.42Å; R610-Y614 WeakPolarHBondContact O-CD2 3.3Å; G611-Y614 PolarHBondContact O-N 2.83Å; S612-Y614 PolarHBondContact O-N 2.96Å; Y614-S617 WeakPolarHBondContact O-CB 3.48Å
615	T	94.5	Very high	94.3	Very high	12 Å²	12	25.4 Å²	25.4	7%	0.074	12%	0.122	C	C	.	.	H	α-helix	trans	-72.2	-48.7	-173.4	56.6	0	0	0	0	113.6	W377 S607 G611 S612 S617 V618	W377-T615 VanDerWaalsContact CH2-O 3.3Å; W377-T615 WeakPolarHBondContact CH2-O 3.39Å; S607-T615 VanDerWaalsContact O-CG2 3.27Å; S607-T615 WeakPolarHBondContact O-CG2 3.38Å; G611-T615 PolarHBondContact O-N 3.21Å; S612-T615 WeakPolarHBondContact CA-OG1 3.11Å; S612-T615 PolarHBondContact O-N 2.84Å; T615-S617 PolarHBondContact O-N 2.78Å; T615-S617 VanDerWaalsContact O-N 3.1Å; T615-V618 WeakPolarHBondContact O-CG2 3.21Å; T615-V618 PolarHBondContact O-N 3.39Å
616	S	93.9	Very high	94.2	Very high	31 Å²	31	24.1 Å²	24.1	22%	0.217	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-65.4	-19.4	-176.8	80.3	0	0	0	0	113.5	S612 V618 Y619	S612-S616 WeakPolarHBondContact O-CB 3.45Å; S612-S616 PolarHBondContact O-N 3.05Å; S612-S616 PolarHBondContact O-OG 2.78Å; S616-V618 PolarHBondContact O-N 2.99Å; S616-V618 VanDerWaalsContact O-N 3.1Å; S616-Y619 VanDerWaalsContact O-CB 3.24Å; S616-Y619 WeakPolarHBondContact O-CB 3.48Å; S616-Y619 PolarHBondContact O-N 2.7Å
617	S	93.8	Very high	94.1	Very high	18 Å²	18	24.1 Å²	24.1	13%	0.126	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-52.3	-33.5	177	-79.6	0	0	0	0	113.7	Y543 K613 Y614 T615 P625	Y543-S617 PolarHBondContact OH-OG 3.47Å; K613-S617 PolarHBondContact O-OG 2.96Å; Y614-S617 WeakPolarHBondContact O-CB 3.48Å; T615-S617 PolarHBondContact O-N 2.78Å; T615-S617 VanDerWaalsContact O-N 3.1Å; S617-P625 WeakPolarHBondContact O-CG 3.43Å
618	V	95.4	Very high	93.9	Very high	1 Å²	1	26 Å²	26	1%	0.006	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-90.3	-5.7	177.6	-59.1	0	0	0	0	114.3	W377 P574 T615 S616 R620 K621 L622 P625 E626	W377-V618 HydrophobicContact CH2-CG2 4.3Å; P574-V618 HydrophobicContact CB-CG2 4.08Å; T615-V618 WeakPolarHBondContact O-CG2 3.21Å; T615-V618 PolarHBondContact O-N 3.39Å; S616-V618 PolarHBondContact O-N 2.99Å; S616-V618 VanDerWaalsContact O-N 3.1Å; V618-R620 PolarHBondContact O-N 2.84Å; V618-K621 CarbonylContact O-C 3.49Å; V618-K621 WeakPolarHBondContact O-CA 3.44Å; V618-K621 PolarHBondContact O-N 3.47Å; V618-L622 PolarHBondContact O-N 3.1Å; V618-P625 HydrophobicContact CG1-CB 4.19Å; V618-P625 HydrophobicContact CG1-CG 4.26Å; V618-E626 HydrophobicContact CG1-CB 3.98Å; V618-E626 HydrophobicContact CG1-CG 4.37Å
619	Y	95.9	Very high	93.9	Very high	17 Å²	17	26 Å²	26	7%	0.067	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	126.3	-178.8	-171.7	-124.9	0	0	0	111.1	D375 W377 S616 K621	D375-Y619 VanDerWaalsContact C-CD1 3.48Å; D375-Y619 VanDerWaalsContact O-CD1 3.29Å; D375-Y619 WeakPolarHBondContact O-CD1 3.48Å; W377-Y619 AromaticContact CE3-CD2 3.67Å; W377-Y619 HydrophobicContact CE3-CD2 3.67Å; W377-Y619 HydrophobicContact CE3-CE2 4.39Å; W377-Y619 HydrophobicContact CE3-CG 4.3Å; W377-Y619 HydrophobicContact CZ3-CD2 4.12Å; W377-Y619 HydrophobicContact CZ3-CG 4.45Å; S616-Y619 VanDerWaalsContact O-CB 3.24Å; S616-Y619 WeakPolarHBondContact O-CB 3.48Å; S616-Y619 PolarHBondContact O-N 2.7Å; Y619-K621 WeakPolarHBondContact O-CG 3.19Å; Y619-K621 PolarHBondContact O-N 2.97Å
620	R	95.7	Very high	93.8	Very high	97 Å²	97	24.5 Å²	24.5	37%	0.366	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	5.4	-173	-56.8	-170.9	-170.5	-167.1	5.9	115.6	V618 Y711 N718	V618-R620 PolarHBondContact O-N 2.84Å; R620-Y711 PolarHBondContact N-O 2.89Å; R620-N718 WeakPolarHBondContact CA-ND2 3.32Å; R620-N718 WeakPolarHBondContact CB-ND2 3.43Å; R620-N718 PolarHBondContact O-ND2 2.9Å
621	K	95.7	Very high	93.3	Very high	112 Å²	112	23.9 Å²	23.9	49%	0.487	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	4.2	-171.1	-66.8	166.7	-170.8	163.1	0	113.8	V618 Y619 F624 P625	V618-K621 CarbonylContact O-C 3.49Å; V618-K621 WeakPolarHBondContact O-CA 3.44Å; V618-K621 PolarHBondContact O-N 3.47Å; Y619-K621 WeakPolarHBondContact O-CG 3.19Å; Y619-K621 PolarHBondContact O-N 2.97Å; K621-F624 PolarHBondContact O-N 2.84Å; K621-P625 HydrophobicContact CB-CG 4.1Å; K621-P625 VanDerWaalsContact O-CD 3.24Å; K621-P625 WeakPolarHBondContact O-CD 3.34Å
622	L	95.1	Very high	92	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.			trans	-29.8	138.8	175.2	-153.6	68.8	0	0	0	113.5	P574 V618 Y671 F700 L712 T725	P574-L622 HydrophobicContact CG-CD1 4.01Å; V618-L622 PolarHBondContact O-N 3.1Å; L622-Y671 HydrophobicContact CD1-CE2 4.06Å; L622-Y671 WeakPolarHBondContact CD1-OH 3.46Å; L622-Y671 HydrophobicContact CD2-CE2 4.23Å; L622-Y671 HydrophobicContact CG-CE2 4.18Å; L622-Y671 WeakPolarHBondContact CG-OH 3.37Å; L622-F700 HydrophobicContact CD2-CD1 4.02Å; L622-F700 HydrophobicContact CD2-CE1 3.76Å; L622-F700 HydrophobicContact CD2-CE2 4.46Å; L622-F700 HydrophobicContact CD2-CG 4.48Å; L622-F700 HydrophobicContact CD2-CZ 3.99Å; L622-L712 HydrophobicContact CB-CD2 3.63Å; L622-L712 HydrophobicContact CB-CG 4.02Å; L622-L712 HydrophobicContact CD2-CD1 4.06Å; L622-L712 HydrophobicContact CD2-CD2 4.48Å; L622-L712 HydrophobicContact CD2-CG 3.93Å; L622-T725 HydrophobicContact CB-CG2 4.16Å; L622-T725 WeakPolarHBondContact O-CG2 3.43Å
623	G	94.7	Very high	90	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	71.1	29.3	-176.3	0	0	0	0	0	114.4	E626 R678	G623-E626 PolarHBondContact N-OE1 2.03Å; G623-E626 PolarHBondContact N-OE2 2.96Å; G623-R678 PolarHBondContact O-NE 3.47Å; G623-R678 PolarHBondContact O-NH2 3.34Å
624	F	94.6	Very high	87.5	Confident	84 Å²	84	25 Å²	25	37%	0.368	12%	0.115	S	C	.	.	S	Bend	trans	-145.4	-59.4	174.5	-177.9	-92.2	0	0	0	114.7	K621 E626 I627 Q628 M682	K621-F624 PolarHBondContact O-N 2.84Å; F624-E626 VanDerWaalsContact C-OE2 3.29Å; F624-E626 PolarHBondContact N-OE2 2.91Å; F624-I627 PolarHBondContact O-N 3.33Å; F624-Q628 WeakPolarHBondContact O-CA 3.19Å; F624-Q628 WeakPolarHBondContact O-CB 3.22Å; F624-Q628 PolarHBondContact O-N 3.29Å; F624-M682 HydrophobicContact CD2-CE 3.71Å; F624-M682 HydrophobicContact CD2-SD 4.2Å; F624-M682 HydrophobicContact CE2-CE 3.91Å
625	P	94.9	Very high	84.8	Confident	6 Å²	6	24.7 Å²	24.7	4%	0.039	12%	0.115	C	C	.	.	H	α-helix	trans	-68.2	-42.3	-177.1	-18.9	32.9	0	0	0	113.4	R605 S617 V618 K621 D629	R605-P625 HydrophobicContact CB-CB 4.38Å; R605-P625 PolarHBondContact NH2-O 2.9Å; S617-P625 WeakPolarHBondContact O-CG 3.43Å; V618-P625 HydrophobicContact CG1-CB 4.19Å; V618-P625 HydrophobicContact CG1-CG 4.26Å; K621-P625 HydrophobicContact CB-CG 4.1Å; K621-P625 VanDerWaalsContact O-CD 3.24Å; K621-P625 WeakPolarHBondContact O-CD 3.34Å; P625-D629 VanDerWaalsContact O-CG 3.23Å; P625-D629 PolarHBondContact O-N 2.88Å
626	E	94.9	Very high	81.8	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.009	13%	0.126	C	C	.	.	H	α-helix	trans	-68.7	-39.7	176.4	75.8	-71.5	-132.7	0	0	111.1	A572 R605 V618 G623 F624 D629 Q630 Y671	A572-E626 HydrophobicContact CB-CB 4.37Å; A572-E626 HydrophobicContact CB-CG 4.2Å; A572-E626 WeakPolarHBondContact O-CG 3.33Å; R605-E626 WeakPolarHBondContact O-CB 3.35Å; V618-E626 HydrophobicContact CG1-CB 3.98Å; V618-E626 HydrophobicContact CG1-CG 4.37Å; G623-E626 PolarHBondContact N-OE1 2.03Å; G623-E626 PolarHBondContact N-OE2 2.96Å; F624-E626 VanDerWaalsContact C-OE2 3.29Å; F624-E626 PolarHBondContact N-OE2 2.91Å; E626-D629 PolarHBondContact O-N 2.83Å; E626-D629 VanDerWaalsContact O-N 3.09Å; E626-Q630 WeakPolarHBondContact O-CG 3.26Å; E626-Q630 PolarHBondContact O-N 2.87Å; E626-Q630 VanDerWaalsContact O-N 3.09Å; E626-Y671 PolarHBondContact OE1-OH 3.36Å
627	I	94.2	Very high	78.8	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-70.4	-39.5	177.1	-54.1	-55.7	0	0	0	111.2	F624 D629 Q630 I631 S675 R678 I679 M682	F624-I627 PolarHBondContact O-N 3.33Å; I627-D629 PolarHBondContact O-N 3.04Å; I627-Q630 PolarHBondContact O-N 3.06Å; I627-I631 HydrophobicContact CG2-CD1 4.07Å; I627-I631 WeakPolarHBondContact O-CG1 3.29Å; I627-I631 PolarHBondContact O-N 1.99Å; I627-S675 WeakPolarHBondContact CD1-OG 3.48Å; I627-R678 HydrophobicContact CB-CG 4.38Å; I627-R678 HydrophobicContact CD1-CB 4.41Å; I627-R678 HydrophobicContact CG1-CB 4.26Å; I627-R678 HydrophobicContact CG1-CG 3.85Å; I627-R678 HydrophobicContact CG2-CB 4.36Å; I627-R678 HydrophobicContact CG2-CG 4.05Å; I627-I679 HydrophobicContact CG2-CG1 3.82Å; I627-M682 HydrophobicContact CB-SD 4.14Å; I627-M682 HydrophobicContact CG2-CE 4.33Å; I627-M682 HydrophobicContact CG2-SD 3.72Å
628	Q	91.3	Very high	75.7	Confident	46 Å²	46	34.7 Å²	34.7	22%	0.215	17%	0.169	C	C	.	.	H	α-helix	trans	-56.2	-38	168.7	179.5	-177.7	19.1	0	0	109.7	R605 F624 I631 E632	R605-Q628 VanDerWaalsContact NH2-CD 3.35Å; F624-Q628 WeakPolarHBondContact O-CA 3.19Å; F624-Q628 WeakPolarHBondContact O-CB 3.22Å; F624-Q628 PolarHBondContact O-N 3.29Å; Q628-I631 CarbonylContact O-C 3.54Å; Q628-I631 PolarHBondContact O-N 2.89Å; Q628-E632 VanDerWaalsContact CG-CD 3.47Å; Q628-E632 HydrophobicContact CG-CG 4.07Å; Q628-E632 VanDerWaalsContact CG-OE1 3.28Å; Q628-E632 WeakPolarHBondContact CG-OE1 3.44Å; Q628-E632 PolarHBondContact NE2-OE1 2.72Å; Q628-E632 VanDerWaalsContact O-CA 3.3Å; Q628-E632 WeakPolarHBondContact O-CA 3.12Å; Q628-E632 WeakPolarHBondContact O-CB 3.1Å; Q628-E632 VanDerWaalsContact O-CG 3.25Å; Q628-E632 WeakPolarHBondContact O-CG 3.48Å; Q628-E632 PolarHBondContact O-N 3.11Å
629	D	91.2	Very high	72.6	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-78.1	-18.1	178.6	-67.7	-9.8	0	0	0	115.1	L539 N541 R605 P625 E626 I627 E632	L539-D629 HydrophobicContact CD1-CB 4.01Å; L539-D629 WeakPolarHBondContact CD1-OD1 3.47Å; N541-D629 PolarHBondContact ND2-OD1 3.34Å; R605-D629 WeakPolarHBondContact CB-OD2 3.46Å; R605-D629 WeakPolarHBondContact CG-OD2 3.38Å; R605-D629 IonicContact CZ-OD1 3.57Å; R605-D629 VanDerWaalsContact CZ-OD1 3.29Å; R605-D629 IonicContact CZ-OD2 2.82Å; R605-D629 PolarHBondContact N-OD2 2.98Å; R605-D629 VanDerWaalsContact NE-CG 3.32Å; R605-D629 IonicContact NE-OD1 3.51Å; R605-D629 PolarHBondContact NE-OD1 3.16Å; R605-D629 VanDerWaalsContact NE-OD1 3.13Å; R605-D629 IonicContact NE-OD2 3.83Å; R605-D629 PolarHBondContact NE-OD2 3.46Å; R605-D629 IonicContact NH2-OD1 2.77Å; R605-D629 PolarHBondContact NH2-OD1 2.83Å; R605-D629 IonicContact NH2-OD2 3.04Å; P625-D629 VanDerWaalsContact O-CG 3.23Å; P625-D629 PolarHBondContact O-N 2.88Å; E626-D629 PolarHBondContact O-N 2.83Å; E626-D629 VanDerWaalsContact O-N 3.09Å; I627-D629 PolarHBondContact O-N 3.04Å; D629-E632 CarbonylContact O-C 3.22Å
630	Q	88.4	Confident	69.3	Low	2 Å²	2	52 Å²	52	1%	0.009	24%	0.241	C	C	.	.	H	α-helix	trans	-80.3	-33.7	169.1	-59.5	-63.9	-50.8	0	0	111.9	L568 V570 A572 I602 E626 I627 I679	L568-Q630 HydrophobicContact CD2-CB 4.29Å; V570-Q630 HydrophobicContact CG2-CG 3.81Å; A572-Q630 HydrophobicContact CB-CG 4.27Å; I602-Q630 PolarHBondContact O-NE2 2.9Å; E626-Q630 WeakPolarHBondContact O-CG 3.26Å; E626-Q630 PolarHBondContact O-N 2.87Å; E626-Q630 VanDerWaalsContact O-N 3.09Å; I627-Q630 PolarHBondContact O-N 3.06Å; Q630-I679 HydrophobicContact CB-CD1 3.73Å; Q630-I679 HydrophobicContact CB-CG1 4.26Å; Q630-I679 HydrophobicContact CG-CD1 4.27Å
631	I	80	Confident	66.1	Low	22 Å²	22	56.8 Å²	56.8	11%	0.113	26%	0.261	C	S	.	.	H	α-helix	trans	-76	-39.4	171.1	-61.6	166.7	0	0	0	109.1	I627 Q628 R634 V648 I679 M682 N683	I627-I631 HydrophobicContact CG2-CD1 4.07Å; I627-I631 WeakPolarHBondContact O-CG1 3.29Å; I627-I631 PolarHBondContact O-N 1.99Å; Q628-I631 CarbonylContact O-C 3.54Å; Q628-I631 PolarHBondContact O-N 2.89Å; I631-R634 WeakPolarHBondContact O-CD 3.5Å; I631-R634 PolarHBondContact O-NE 2.9Å; I631-V648 HydrophobicContact CG2-CG2 4.4Å; I631-V648 WeakPolarHBondContact O-CB 3.36Å; I631-V648 WeakPolarHBondContact O-CG2 3.4Å; I631-I679 HydrophobicContact CG1-CG1 4.31Å; I631-I679 HydrophobicContact CG1-CG2 4.41Å; I631-M682 HydrophobicContact CD1-CB 3.59Å; I631-M682 HydrophobicContact CD1-CE 4.25Å; I631-N683 HydrophobicContact CD1-CB 4.07Å; I631-N683 HydrophobicContact CG1-CB 4.3Å
632	E	65.8	Low	62.8	Low	39 Å²	39	56 Å²	56	18%	0.182	27%	0.269	C	S	.	.	S	Bend	trans	-84.6	-158.9	168.2	-60.9	177.4	-166.9	0	0	111.5	N541 Q628 D629 R634 V648	N541-E632 PolarHBondContact ND2-OE2 2.82Å; Q628-E632 VanDerWaalsContact CG-CD 3.47Å; Q628-E632 HydrophobicContact CG-CG 4.07Å; Q628-E632 VanDerWaalsContact CG-OE1 3.28Å; Q628-E632 WeakPolarHBondContact CG-OE1 3.44Å; Q628-E632 PolarHBondContact NE2-OE1 2.72Å; Q628-E632 VanDerWaalsContact O-CA 3.3Å; Q628-E632 WeakPolarHBondContact O-CA 3.12Å; Q628-E632 WeakPolarHBondContact O-CB 3.1Å; Q628-E632 VanDerWaalsContact O-CG 3.25Å; Q628-E632 WeakPolarHBondContact O-CG 3.48Å; Q628-E632 PolarHBondContact O-N 3.11Å; D629-E632 CarbonylContact O-C 3.22Å; E632-R634 WeakPolarHBondContact O-CB 3.37Å; E632-R634 PolarHBondContact O-N 2.8Å; E632-V648 VanDerWaalsContact CA-CG1 3.47Å; E632-V648 HydrophobicContact CB-CG1 4.18Å; E632-V648 HydrophobicContact CG-CG1 4.39Å
633	A	51.1	Low	59.5	Low	2 Å²	2	64.8 Å²	64.8	2%	0.017	31%	0.307	C	S	.	.	S	Bend	trans	64.7	-57	-156.1	0	0	0	0	0	113.2	V537 L539 A545 I602 S635	V537-A633 HydrophobicContact CG1-CB 4.1Å; V537-A633 WeakPolarHBondContact CG1-O 3.07Å; L539-A633 HydrophobicContact CD2-CB 3.5Å; A545-A633 HydrophobicContact CB-CB 3.64Å; I602-A633 HydrophobicContact CG2-CB 4.13Å; A633-S635 PolarHBondContact O-N 2.75Å
634	R	42.6	Very low	56.4	Low	19 Å²	19	69.9 Å²	69.9	7%	0.072	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-34.1	-7.8	174.5	-152	-159.8	75.9	87.1	-3.3	116.1	I631 E632 V647 V648 L649 R650 I651 T687	I631-R634 WeakPolarHBondContact O-CD 3.5Å; I631-R634 PolarHBondContact O-NE 2.9Å; E632-R634 WeakPolarHBondContact O-CB 3.37Å; E632-R634 PolarHBondContact O-N 2.8Å; R634-V647 PolarHBondContact NH2-O 2.85Å; R634-V648 VanDerWaalsContact C-CA 3.49Å; R634-V648 HydrophobicContact CB-CB 3.57Å; R634-V648 HydrophobicContact CB-CG1 3.69Å; R634-V648 HydrophobicContact CG-CB 4.12Å; R634-V648 PolarHBondContact NH1-O 3.16Å; R634-V648 PolarHBondContact NH2-O 2.86Å; R634-V648 CarbonylContact O-C 3.29Å; R634-V648 VanDerWaalsContact O-C 3.32Å; R634-V648 WeakPolarHBondContact O-CA 3.27Å; R634-L649 VanDerWaalsContact CA-CD1 3.47Å; R634-L649 HydrophobicContact CB-CD1 3.62Å; R634-L649 HydrophobicContact CG-CB 3.54Å; R634-L649 HydrophobicContact CG-CD1 3.16Å; R634-L649 HydrophobicContact CG-CD2 4.4Å; R634-L649 HydrophobicContact CG-CG 3.8Å; R634-L649 VanDerWaalsContact NH1-CA 3.31Å; R634-L649 VanDerWaalsContact NH1-CB 3.27Å; R634-L649 VanDerWaalsContact NH1-N 3.18Å; R634-L649 CarbonylContact O-C 3.56Å; R634-L649 WeakPolarHBondContact O-CA 3.42Å; R634-L649 PolarHBondContact O-N 2.9Å; R634-R650 PolarHBondContact O-N 2.9Å; R634-I651 PolarHBondContact O-N 2.69Å; R634-T687 VanDerWaalsContact CZ-CG2 3.43Å; R634-T687 PolarHBondContact NH1-OG1 2.85Å; R634-T687 PolarHBondContact NH2-OG1 3.2Å
635	S	37.3	Very low	53.3	Low	8 Å²	8	72.5 Å²	72.5	6%	0.056	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.9	-38	-179.9	-148.7	0	0	0	0	123.6	A633 F637 V648	A633-S635 PolarHBondContact O-N 2.75Å; S635-F637 VanDerWaalsContact C-N 3.31Å; S635-F637 PolarHBondContact O-N 2.99Å; S635-V648 VanDerWaalsContact CB-CG1 3.49Å; S635-V648 VanDerWaalsContact CB-N 3.35Å; S635-V648 PolarHBondContact OG-N 2.84Å
636	S	32.1	Very low	50.4	Low	44 Å²	44	74 Å²	74	31%	0.308	37%	0.369	S	S	.	.			trans	-55.8	69.6	-153.5	-66.3	0	0	0	0	118.5	Q538 P540	Q538-S636 WeakPolarHBondContact O-CB 3.27Å; Q538-S636 PolarHBondContact O-OG 3.02Å; P540-S636 VanDerWaalsContact CD-OG 3.26Å; P540-S636 WeakPolarHBondContact CD-OG 3.27Å; P540-S636 WeakPolarHBondContact CG-OG 3.28Å
637	F	29.8	Very low	47.6	Very low	167 Å²	167	77.9 Å²	77.9	73%	0.732	39%	0.393	S	S	*	.			trans	-163.9	72.8	166.8	-130.2	-86.3	0	0	0	109.8	S635 I651	S635-F637 VanDerWaalsContact C-N 3.31Å; S635-F637 PolarHBondContact O-N 2.99Å; F637-I651 HydrophobicContact CB-CG1 4.44Å
638	A	28.9	Very low	45.1	Very low	60 Å²	60	78.6 Å²	78.6	50%	0.496	40%	0.397	S	S	.	.			trans	-146.7	38.2	-176.5	0	0	0	0	0	113.3	H640	A638-H640 PolarHBondContact O-N 2.84Å
639	Y	29.8	Very low	42.8	Very low	229 Å²	229	78.1 Å²	78.1	90%	0.898	40%	0.396	S	S	*	.			trans	-81.8	50.6	-178.2	-123.8	-72.7	0	0	0	113.1
640	H	27.6	Very low	40.3	Very low	152 Å²	152	82 Å²	82	70%	0.704	41%	0.411	S	S	*	.	S	Bend	trans	-174.6	139.6	152.3	-104.2	81.8	0	0	0	110.4	A638	A638-H640 PolarHBondContact O-N 2.84Å
641	Y	27.6	Very low	37.9	Very low	198 Å²	198	82.7 Å²	82.7	78%	0.776	41%	0.414	S	S	*	.	S	Bend	trans	69.5	118.1	172.2	-60.1	-71.8	0	0	0	121.2
642	C	26.3	Very low	36.1	Very low	97 Å²	97	82.2 Å²	82.2	66%	0.655	41%	0.411	S	S	*	.			trans	61.6	104.5	148.4	-76.5	0	0	0	0	122.4
643	F	27.3	Very low	35	Very low	183 Å²	183	80.9 Å²	80.9	80%	0.803	41%	0.405	S	S	*	.				62.4	147.6	121.1	-90.7	-90.1	0	0	0	122.6
644	T	28.7	Very low	34.4	Very low	107 Å²	107	84.1 Å²	84.1	66%	0.656	43%	0.428	S	S	*	.			trans	60.2	109.4	170	47.2	0	0	0	0	117.9
645	N	29.6	Very low	34.3	Very low	140 Å²	140	89.7 Å²	89.7	75%	0.749	46%	0.455	S	S	*	.	S	Bend	trans	16.1	149.5	132.1	-56.9	-11.7	0	0	0	119.3
646	A	32.9	Very low	34.7	Very low	37 Å²	37	89.4 Å²	89.4	31%	0.306	45%	0.453	S	S	.	.			trans	55.6	48.7	-151.8	0	0	0	0	0	110.3	Q686	A646-Q686 HydrophobicContact CB-CB 3.65Å
647	V	37.6	Very low	35.7	Very low	84 Å²	84	91.1 Å²	91.1	51%	0.509	47%	0.465	S	S	.	.			trans	-42.8	169.3	151.1	-176.7	0	0	0	0	108.1	R634	R634-V647 PolarHBondContact NH2-O 2.85Å
648	V	42.1	Very low	37.3	Very low	14 Å²	14	83.2 Å²	83.2	9%	0.085	43%	0.43	C	S	.	.			trans	70.4	159.7	177.5	-89.4	0	0	0	0	110	I631 E632 R634 S635 R650	I631-V648 HydrophobicContact CG2-CG2 4.4Å; I631-V648 WeakPolarHBondContact O-CB 3.36Å; I631-V648 WeakPolarHBondContact O-CG2 3.4Å; E632-V648 VanDerWaalsContact CA-CG1 3.47Å; E632-V648 HydrophobicContact CB-CG1 4.18Å; E632-V648 HydrophobicContact CG-CG1 4.39Å; R634-V648 VanDerWaalsContact C-CA 3.49Å; R634-V648 HydrophobicContact CB-CB 3.57Å; R634-V648 HydrophobicContact CB-CG1 3.69Å; R634-V648 HydrophobicContact CG-CB 4.12Å; R634-V648 PolarHBondContact NH1-O 3.16Å; R634-V648 PolarHBondContact NH2-O 2.86Å; R634-V648 CarbonylContact O-C 3.29Å; R634-V648 VanDerWaalsContact O-C 3.32Å; R634-V648 WeakPolarHBondContact O-CA 3.27Å; S635-V648 VanDerWaalsContact CB-CG1 3.49Å; S635-V648 VanDerWaalsContact CB-N 3.35Å; S635-V648 PolarHBondContact OG-N 2.84Å; V648-R650 PolarHBondContact O-N 2.95Å
649	L	42.9	Very low	39.3	Very low	36 Å²	36	80.4 Å²	80.4	19%	0.188	41%	0.407	C	S	.	.	S	Bend	trans	83.1	-9.4	-157.5	-90.7	65.4	0	0	0	113.3	R634 F652 I653	R634-L649 VanDerWaalsContact CA-CD1 3.47Å; R634-L649 HydrophobicContact CB-CD1 3.62Å; R634-L649 HydrophobicContact CG-CB 3.54Å; R634-L649 HydrophobicContact CG-CD1 3.16Å; R634-L649 HydrophobicContact CG-CD2 4.4Å; R634-L649 HydrophobicContact CG-CG 3.8Å; R634-L649 VanDerWaalsContact NH1-CA 3.31Å; R634-L649 VanDerWaalsContact NH1-CB 3.27Å; R634-L649 VanDerWaalsContact NH1-N 3.18Å; R634-L649 CarbonylContact O-C 3.56Å; R634-L649 WeakPolarHBondContact O-CA 3.42Å; R634-L649 PolarHBondContact O-N 2.9Å; L649-F652 HydrophobicContact CD1-CB 3.56Å; L649-F652 HydrophobicContact CD2-CB 4.03Å; L649-F652 HydrophobicContact CG-CB 3.87Å; L649-I653 HydrophobicContact CB-CD1 3.85Å; L649-I653 HydrophobicContact CB-CG1 4.04Å; L649-I653 HydrophobicContact CD2-CD1 3.95Å; L649-I653 HydrophobicContact CD2-CG1 3.78Å; L649-I653 HydrophobicContact CG-CD1 4.06Å; L649-I653 HydrophobicContact CG-CG1 3.75Å; L649-I653 WeakPolarHBondContact O-CB 3.21Å; L649-I653 WeakPolarHBondContact O-CG1 3.3Å; L649-I653 PolarHBondContact O-N 2.98Å
650	R	37.4	Very low	41.5	Very low	82 Å²	82	71.3 Å²	71.3	31%	0.309	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-33.7	-176.6	-60.4	-172.5	-177.8	-166.4	4.9	114.3	R634 V648 F652 S654	R634-R650 PolarHBondContact O-N 2.9Å; V648-R650 PolarHBondContact O-N 2.95Å; R650-F652 PolarHBondContact O-N 2.75Å; R650-S654 VanDerWaalsContact O-CA 3.29Å; R650-S654 WeakPolarHBondContact O-CA 3.45Å; R650-S654 WeakPolarHBondContact O-CB 3.5Å; R650-S654 PolarHBondContact O-N 2.88Å; R650-S654 PolarHBondContact O-OG 2.92Å
651	I	37.8	Very low	43.7	Very low	17 Å²	17	70.5 Å²	70.5	9%	0.087	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-49.7	177.6	-95.5	172.7	0	0	0	110.7	V537 R634 F637 Q655	V537-I651 HydrophobicContact CG1-CD1 3.76Å; V537-I651 HydrophobicContact CG1-CG2 4.19Å; V537-I651 HydrophobicContact CG2-CG2 4.03Å; R634-I651 PolarHBondContact O-N 2.69Å; F637-I651 HydrophobicContact CB-CG1 4.44Å; I651-Q655 WeakPolarHBondContact O-CB 3.42Å; I651-Q655 WeakPolarHBondContact O-CG 3.48Å; I651-Q655 PolarHBondContact O-N 2.91Å
652	F	42.2	Very low	46.3	Very low	12 Å²	12	66.8 Å²	66.8	5%	0.053	35%	0.354	C	S	.	.	H	α-helix	trans	-80.3	-42	-178.6	-159.5	-94.2	0	0	0	112.9	I549 Y551 V598 L649 R650 S654 S656 V659	I549-F652 HydrophobicContact CD1-CE2 3.95Å; I549-F652 HydrophobicContact CG1-CE2 3.75Å; I549-F652 HydrophobicContact CG1-CZ 4.23Å; I549-F652 HydrophobicContact CG2-CE2 4.11Å; I549-F652 HydrophobicContact CG2-CZ 3.75Å; Y551-F652 HydrophobicContact CE1-CE1 4.39Å; Y551-F652 AromaticContact CE1-CZ 3.69Å; Y551-F652 HydrophobicContact CE1-CZ 3.69Å; Y551-F652 AromaticContact CZ-CZ 3.65Å; Y551-F652 WeakPolarHBondContact OH-CZ 3.38Å; V598-F652 HydrophobicContact CG1-CE1 3.88Å; V598-F652 HydrophobicContact CG1-CZ 3.97Å; L649-F652 HydrophobicContact CD1-CB 3.56Å; L649-F652 HydrophobicContact CD2-CB 4.03Å; L649-F652 HydrophobicContact CG-CB 3.87Å; R650-F652 PolarHBondContact O-N 2.75Å; F652-S654 VanDerWaalsContact C-N 3.27Å; F652-S654 PolarHBondContact O-N 2.96Å; F652-S656 WeakPolarHBondContact O-CA 3.46Å; F652-S656 WeakPolarHBondContact O-CB 3.09Å; F652-S656 PolarHBondContact O-N 2.8Å; F652-S656 PolarHBondContact O-OG 2.03Å; F652-V659 HydrophobicContact CD1-CG2 4.21Å; F652-V659 HydrophobicContact CE1-CG2 3.97Å
653	I	43.1	Very low	49.3	Very low	10 Å²	10	65.2 Å²	65.2	5%	0.051	34%	0.336	C	S	.	.	H	α-helix	trans	-87.9	20.7	177.1	-36.3	172.2	0	0	0	113	L649 S656 V659 R661	L649-I653 HydrophobicContact CB-CD1 3.85Å; L649-I653 HydrophobicContact CB-CG1 4.04Å; L649-I653 HydrophobicContact CD2-CD1 3.95Å; L649-I653 HydrophobicContact CD2-CG1 3.78Å; L649-I653 HydrophobicContact CG-CD1 4.06Å; L649-I653 HydrophobicContact CG-CG1 3.75Å; L649-I653 WeakPolarHBondContact O-CB 3.21Å; L649-I653 WeakPolarHBondContact O-CG1 3.3Å; L649-I653 PolarHBondContact O-N 2.98Å; I653-S656 CarbonylContact C-O 3.59Å; I653-S656 WeakPolarHBondContact CA-O 3.43Å; I653-V659 HydrophobicContact CD1-CB 4.34Å; I653-V659 HydrophobicContact CD1-CG1 3.75Å; I653-V659 HydrophobicContact CG1-CB 3.9Å; I653-V659 HydrophobicContact CG1-CG1 3.79Å; I653-V659 HydrophobicContact CG2-CB 4.09Å; I653-V659 WeakPolarHBondContact CG2-O 3.49Å; I653-R661 HydrophobicContact CD1-CG 3.75Å; I653-R661 HydrophobicContact CG2-CG 4.01Å; I653-R661 PolarHBondContact O-NH2 3.16Å
654	S	39.3	Very low	52.3	Low	70 Å²	70	56.9 Å²	56.9	49%	0.49	30%	0.3	S	S	.	.	H	α-helix	trans	-143	-3.8	167.3	102.1	0	0	0	0	114.3	R650 F652	R650-S654 VanDerWaalsContact O-CA 3.29Å; R650-S654 WeakPolarHBondContact O-CA 3.45Å; R650-S654 WeakPolarHBondContact O-CB 3.5Å; R650-S654 PolarHBondContact O-N 2.88Å; R650-S654 PolarHBondContact O-OG 2.92Å; F652-S654 VanDerWaalsContact C-N 3.27Å; F652-S654 PolarHBondContact O-N 2.96Å
655	Q	40.4	Very low	55.5	Low	136 Å²	136	51.8 Å²	51.8	64%	0.636	27%	0.269	S	S	*	.	H	α-helix	trans	-87.2	-50.4	150.2	-69.2	-173	-18.8	0	0	110.3	I651	I651-Q655 WeakPolarHBondContact O-CB 3.42Å; I651-Q655 WeakPolarHBondContact O-CG 3.48Å; I651-Q655 PolarHBondContact O-N 2.91Å
656	S	45.9	Very low	58.6	Low	3 Å²	3	45.1 Å²	45.1	2%	0.021	23%	0.234	C	C	.	.	S	Bend	trans	-87.1	116.1	167.9	81.5	0	0	0	0	109.9	F652 I653 L658	F652-S656 WeakPolarHBondContact O-CA 3.46Å; F652-S656 WeakPolarHBondContact O-CB 3.09Å; F652-S656 PolarHBondContact O-N 2.8Å; F652-S656 PolarHBondContact O-OG 2.03Å; I653-S656 CarbonylContact C-O 3.59Å; I653-S656 WeakPolarHBondContact CA-O 3.43Å; S656-L658 PolarHBondContact O-N 2.83Å
657	S	52.6	Low	61.7	Low	79 Å²	79	43.7 Å²	43.7	55%	0.552	22%	0.22	S	C	*	.	S	Bend	trans	-78.3	34.7	174	54.9	0	0	0	0	112.4	F563	F563-S657 WeakPolarHBondContact CE1-O 3.42Å
658	L	64.3	Low	64.6	Low	2 Å²	2	39.7 Å²	39.7	1%	0.01	20%	0.196	C	C	.	.			trans	-137.9	8.4	-150.1	-59.9	174.1	0	0	0	114.4	F555 E557 N560 L564 S656	F555-L658 HydrophobicContact CE1-CD1 4.39Å; F555-L658 HydrophobicContact CE2-CB 4.43Å; F555-L658 HydrophobicContact CE2-CD1 3.75Å; F555-L658 HydrophobicContact CZ-CB 4.49Å; F555-L658 HydrophobicContact CZ-CD1 3.37Å; E557-L658 HydrophobicContact CB-CD1 4.31Å; E557-L658 HydrophobicContact CG-CD1 3.74Å; E557-L658 WeakPolarHBondContact O-CD1 3.36Å; N560-L658 HydrophobicContact CB-CD2 3.87Å; N560-L658 WeakPolarHBondContact O-CD2 3.43Å; L564-L658 WeakPolarHBondContact CB-O 3.22Å; L564-L658 PolarHBondContact N-O 2.88Å; S656-L658 PolarHBondContact O-N 2.83Å
659	V	69.5	Low	67.3	Low	1 Å²	1	40.6 Å²	40.6	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.1	179.7	166.8	0	0	0	0	111	L564 A566 V598 F652 I653 R661	L564-V659 CarbonylContact O-C 3.58Å; L564-V659 VanDerWaalsContact O-CA 3.26Å; L564-V659 WeakPolarHBondContact O-CA 3.19Å; A566-V659 HydrophobicContact CB-CG1 3.53Å; A566-V659 HydrophobicContact CB-CG2 4.36Å; V598-V659 HydrophobicContact CB-CG2 4.48Å; V598-V659 HydrophobicContact CG2-CG2 4.13Å; F652-V659 HydrophobicContact CD1-CG2 4.21Å; F652-V659 HydrophobicContact CE1-CG2 3.97Å; I653-V659 HydrophobicContact CD1-CB 4.34Å; I653-V659 HydrophobicContact CD1-CG1 3.75Å; I653-V659 HydrophobicContact CG1-CB 3.9Å; I653-V659 HydrophobicContact CG1-CG1 3.79Å; I653-V659 HydrophobicContact CG2-CB 4.09Å; I653-V659 WeakPolarHBondContact CG2-O 3.49Å; V659-R661 PolarHBondContact O-N 2.95Å
660	D	76.8	Confident	70	Confident	37 Å²	37	39.4 Å²	39.4	20%	0.198	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	116.2	-179.3	-174.8	-5.8	0	0	0	110.6	F563 L564 Q662 K663	F563-D660 HydrophobicContact CB-CB 3.81Å; L564-D660 PolarHBondContact O-N 3.24Å; D660-Q662 PolarHBondContact O-N 2.71Å; D660-Q662 VanDerWaalsContact O-N 3.13Å; D660-Q662 WeakPolarHBondContact OD1-CB 3.48Å; D660-Q662 PolarHBondContact OD1-N 2.82Å; D660-K663 HydrophobicContact CB-CB 4.06Å; D660-K663 HydrophobicContact CB-CD 4.34Å; D660-K663 HydrophobicContact CB-CG 4.24Å; D660-K663 PolarHBondContact O-N 3.1Å; D660-K663 WeakPolarHBondContact OD2-CD 3.12Å; D660-K663 WeakPolarHBondContact OD2-CE 3.5Å; D660-K663 VanDerWaalsContact OD2-CG 3.29Å; D660-K663 WeakPolarHBondContact OD2-CG 3.44Å
661	R	72.8	Confident	72.9	Confident	136 Å²	136	35.6 Å²	35.6	51%	0.513	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	-13.5	177.4	-62.8	-178.8	-177.5	173.4	3.9	113.4	I653 V659	I653-R661 HydrophobicContact CD1-CG 3.75Å; I653-R661 HydrophobicContact CG2-CG 4.01Å; I653-R661 PolarHBondContact O-NH2 3.16Å; V659-R661 PolarHBondContact O-N 2.95Å
662	Q	82.9	Confident	75.7	Confident	119 Å²	119	34.8 Å²	34.8	56%	0.556	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	-6	173.4	-50.6	-58.7	-12.7	0	0	113.4	D660 K689	D660-Q662 PolarHBondContact O-N 2.71Å; D660-Q662 VanDerWaalsContact O-N 3.13Å; D660-Q662 WeakPolarHBondContact OD1-CB 3.48Å; D660-Q662 PolarHBondContact OD1-N 2.82Å; Q662-K689 WeakPolarHBondContact O-CG 3.49Å
663	K	88.9	Confident	78.4	Confident	64 Å²	64	34.2 Å²	34.2	28%	0.278	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	60.8	-177.7	-58.1	177.6	-168.5	-129.6	0	111.1	P565 A566 D660 F800	P565-K663 CarbonylContact C-O 3.38Å; P565-K663 VanDerWaalsContact CA-O 3.23Å; P565-K663 WeakPolarHBondContact CA-O 3.06Å; P565-K663 HydrophobicContact CB-CB 3.83Å; P565-K663 HydrophobicContact CG-CB 4.06Å; P565-K663 HydrophobicContact CG-CD 4.15Å; A566-K663 PolarHBondContact N-O 2.79Å; D660-K663 HydrophobicContact CB-CB 4.06Å; D660-K663 HydrophobicContact CB-CD 4.34Å; D660-K663 HydrophobicContact CB-CG 4.24Å; D660-K663 PolarHBondContact O-N 3.1Å; D660-K663 WeakPolarHBondContact OD2-CD 3.12Å; D660-K663 WeakPolarHBondContact OD2-CE 3.5Å; D660-K663 VanDerWaalsContact OD2-CG 3.29Å; D660-K663 WeakPolarHBondContact OD2-CG 3.44Å; K663-F800 HydrophobicContact CB-CB 4.19Å; K663-F800 HydrophobicContact CB-CD1 3.72Å; K663-F800 HydrophobicContact CB-CE1 4.22Å; K663-F800 HydrophobicContact CB-CG 3.98Å; K663-F800 HydrophobicContact CD-CB 4.27Å; K663-F800 WeakPolarHBondContact CD-O 3.09Å; K663-F800 WeakPolarHBondContact CE-O 3.46Å; K663-F800 HydrophobicContact CG-CB 4.19Å; K663-F800 HydrophobicContact CG-CD1 4.36Å; K663-F800 HydrophobicContact CG-CG 4.49Å; K663-F800 PolarHBondContact NZ-O 3.35Å; K663-F800 WeakPolarHBondContact O-CE1 3.15Å
664	T	90.9	Very high	81.1	Confident	8 Å²	8	33.8 Å²	33.8	5%	0.049	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.1	-179.2	46	0	0	0	0	111.5	A566 T687 F688 K689	A566-T664 CarbonylContact O-C 3.57Å; A566-T664 WeakPolarHBondContact O-CA 3.41Å; T664-T687 WeakPolarHBondContact CB-O 3.32Å; T664-T687 PolarHBondContact OG1-O 3.08Å; T664-F688 CarbonylContact O-C 3.47Å; T664-F688 WeakPolarHBondContact O-CA 3.43Å; T664-F688 WeakPolarHBondContact OG1-CA 3.37Å; T664-K689 PolarHBondContact O-N 3.35Å
665	A	95.3	Very high	83.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	164.5	175.5	0	0	0	0	0	112.3	A566 V567 L568 F688 C690 L796 F800	A566-A665 PolarHBondContact O-N 3.2Å; V567-A665 WeakPolarHBondContact CA-O 3.48Å; V567-A665 HydrophobicContact CG2-CB 4.38Å; L568-A665 PolarHBondContact N-O 2.97Å; A665-F688 VanDerWaalsContact O-CD1 3.25Å; A665-F688 WeakPolarHBondContact O-CD1 3.48Å; A665-F688 WeakPolarHBondContact O-CE1 3.48Å; A665-C690 WeakPolarHBondContact CA-O 3.41Å; A665-C690 VanDerWaalsContact CB-SG 3.51Å; A665-L796 HydrophobicContact CB-CD2 3.46Å; A665-L796 VanDerWaalsContact CB-CD2 3.46Å; A665-F800 HydrophobicContact CB-CE1 3.89Å; A665-F800 HydrophobicContact CB-CZ 3.5Å
666	V	95.9	Very high	86.6	Confident	1 Å²	1	24 Å²	24	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	138.8	171.2	53	0	0	0	0	110.4	L568 V570 T676 I679 F688 C690 A691 I692	L568-V666 HydrophobicContact CB-CB 4.17Å; L568-V666 HydrophobicContact CB-CG2 4.14Å; L568-V666 HydrophobicContact CD2-CG2 3.96Å; L568-V666 HydrophobicContact CG-CG2 4.1Å; L568-V666 CarbonylContact O-C 3.57Å; L568-V666 VanDerWaalsContact O-CA 3.31Å; L568-V666 WeakPolarHBondContact O-CA 3Å; V570-V666 HydrophobicContact CB-CG2 4.39Å; V570-V666 HydrophobicContact CG1-CG2 3.68Å; V666-T676 HydrophobicContact CG1-CG2 4.14Å; V666-T676 HydrophobicContact CG2-CG2 4.28Å; V666-I679 HydrophobicContact CG1-CG2 4.38Å; V666-I679 HydrophobicContact CG2-CD1 3.99Å; V666-F688 HydrophobicContact CB-CD1 3.95Å; V666-F688 HydrophobicContact CB-CD2 4.09Å; V666-F688 HydrophobicContact CB-CE1 3.92Å; V666-F688 HydrophobicContact CB-CE2 4.07Å; V666-F688 HydrophobicContact CB-CG 4.05Å; V666-F688 HydrophobicContact CB-CZ 3.99Å; V666-F688 HydrophobicContact CG1-CB 4.17Å; V666-F688 HydrophobicContact CG1-CD1 4.13Å; V666-F688 HydrophobicContact CG1-CD2 3.66Å; V666-F688 HydrophobicContact CG1-CE1 4.48Å; V666-F688 HydrophobicContact CG1-CE2 4.06Å; V666-F688 HydrophobicContact CG1-CG 3.71Å; V666-F688 HydrophobicContact CG1-CZ 4.46Å; V666-C690 PolarHBondContact N-O 3.05Å; V666-A691 HydrophobicContact CG1-CB 3.68Å; V666-A691 VanDerWaalsContact O-CA 3.25Å; V666-A691 WeakPolarHBondContact O-CA 3.41Å; V666-I692 PolarHBondContact O-N 3.01Å
667	W	98.1	Very high	89	Confident	7 Å²	7	23.8 Å²	23.8	3%	0.027	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	150.4	173.4	90.7	-85.4	0	0	0	114.3	L568 K569 V570 F587 D588 W669 I692 V694 M792	L568-W667 PolarHBondContact O-N 2.9Å; K569-W667 HydrophobicContact CD-CD2 4.04Å; K569-W667 HydrophobicContact CD-CG 4.41Å; K569-W667 HydrophobicContact CD-CZ2 3.89Å; K569-W667 VanDerWaalsContact CE-CZ2 3.46Å; V570-W667 PolarHBondContact N-O 3.33Å; F587-W667 HydrophobicContact CD1-CZ2 4.1Å; D588-W667 PolarHBondContact OD1-NE1 2.98Å; D588-W667 WeakPolarHBondContact OD2-CZ2 3.29Å; W667-W669 HydrophobicContact CZ3-CE3 4.09Å; W667-I692 VanDerWaalsContact CA-O 3.31Å; W667-I692 WeakPolarHBondContact CA-O 3.29Å; W667-I692 HydrophobicContact CB-CB 3.91Å; W667-I692 HydrophobicContact CB-CD1 4.45Å; W667-V694 HydrophobicContact CE3-CG2 4.42Å; W667-V694 HydrophobicContact CZ3-CG2 4.36Å; W667-M792 HydrophobicContact CD2-CE 3.63Å; W667-M792 HydrophobicContact CE3-CE 3.4Å; W667-M792 HydrophobicContact CG-CE 4.33Å; W667-M792 HydrophobicContact CH2-CE 3.86Å; W667-M792 HydrophobicContact CZ2-CE 4.1Å; W667-M792 HydrophobicContact CZ3-CE 3.51Å
668	G	98.5	Very high	91.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	167.7	178.8	0	0	0	0	0	113.5	V570 G672 T676 I692 V694	V570-G668 VanDerWaalsContact O-CA 3.3Å; V570-G668 WeakPolarHBondContact O-CA 3.44Å; G668-G672 VanDerWaalsContact C-C 3.49Å; G668-G672 WeakPolarHBondContact CA-O 3.34Å; G668-T676 PolarHBondContact N-OG1 3.02Å; G668-T676 VanDerWaalsContact N-OG1 3.14Å; G668-I692 PolarHBondContact N-O 3.07Å; G668-V694 PolarHBondContact O-N 2.84Å
669	W	98.5	Very high	92.6	Very high	33 Å²	33	21.3 Å²	21.3	13%	0.125	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.4	-177	-160.4	-60.2	0	0	0	110.1	Y571 W667 Y671 G672 G673 V694 H779 S780 I781 L788	Y571-W669 WeakPolarHBondContact CE2-O 3.36Å; W667-W669 HydrophobicContact CZ3-CE3 4.09Å; W669-Y671 PolarHBondContact O-N 2.85Å; W669-G672 VanDerWaalsContact O-CA 3.27Å; W669-G672 WeakPolarHBondContact O-CA 3.5Å; W669-G672 PolarHBondContact O-N 3.12Å; W669-G673 VanDerWaalsContact C-N 3.33Å; W669-G673 PolarHBondContact O-N 2.9Å; W669-V694 CarbonylContact C-O 3.58Å; W669-V694 VanDerWaalsContact CA-O 3.24Å; W669-V694 WeakPolarHBondContact CA-O 3.37Å; W669-V694 HydrophobicContact CB-CB 4.36Å; W669-V694 HydrophobicContact CD2-CB 3.75Å; W669-V694 HydrophobicContact CD2-CG1 3.54Å; W669-V694 HydrophobicContact CE3-CB 3.81Å; W669-V694 HydrophobicContact CE3-CG1 3.63Å; W669-V694 HydrophobicContact CE3-CG2 4.11Å; W669-V694 HydrophobicContact CG-CB 4.01Å; W669-V694 HydrophobicContact CG-CG1 4.19Å; W669-V694 HydrophobicContact CH2-CG1 3.87Å; W669-V694 HydrophobicContact CZ2-CG1 3.78Å; W669-V694 HydrophobicContact CZ3-CB 4.38Å; W669-V694 HydrophobicContact CZ3-CG1 3.79Å; W669-H779 AromaticContact CD1-NE2 3.7Å; W669-H779 VanDerWaalsContact CE2-O 3.3Å; W669-H779 WeakPolarHBondContact CZ2-O 3.21Å; W669-H779 AromaticContact NE1-CE1 3.95Å; W669-H779 AromaticContact NE1-NE2 3.75Å; W669-H779 PolarHBondContact NE1-O 3.47Å; W669-S780 WeakPolarHBondContact CH2-O 3.37Å; W669-S780 WeakPolarHBondContact CZ2-O 3.37Å; W669-I781 HydrophobicContact CH2-CB 4.05Å; W669-I781 HydrophobicContact CH2-CD1 4.03Å; W669-I781 HydrophobicContact CH2-CG1 4.2Å; W669-I781 HydrophobicContact CZ2-CB 4.14Å; W669-I781 HydrophobicContact CZ2-CD1 3.82Å; W669-I781 HydrophobicContact CZ2-CG1 3.87Å; W669-L788 HydrophobicContact CH2-CD2 3.36Å; W669-L788 HydrophobicContact CZ3-CD2 3.54Å
670	S	98.1	Very high	93.8	Very high	10 Å²	10	21.3 Å²	21.3	7%	0.07	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	-122.1	178.7	-168.4	0	0	0	0	111.5	G672 G673 F674 V694 A695 H779	S670-G672 PolarHBondContact O-N 3.01Å; S670-G673 WeakPolarHBondContact O-CA 3.38Å; S670-G673 PolarHBondContact O-N 2.8Å; S670-F674 PolarHBondContact O-N 3.33Å; S670-V694 PolarHBondContact N-O 3.06Å; S670-A695 VanDerWaalsContact CA-O 3.24Å; S670-A695 WeakPolarHBondContact CA-O 3.43Å; S670-A695 PolarHBondContact N-O 3.27Å; S670-H779 VanDerWaalsContact CB-NE2 3.3Å; S670-H779 WeakPolarHBondContact CB-NE2 3.48Å; S670-H779 PolarHBondContact OG-NE2 3.05Å
671	Y	98.4	Very high	94.6	Very high	3 Å²	3	21 Å²	21	1%	0.012	9%	0.09	C	C	.	.	H	α-helix	trans	-55.1	-35.7	167.2	-161.7	-74.9	0	0	0	112.1	Y571 A572 L622 E626 W669 G673 F674 S675 F700 Y707	Y571-Y671 WeakPolarHBondContact O-CD1 3.18Å; A572-Y671 VanDerWaalsContact O-CE1 3.26Å; A572-Y671 WeakPolarHBondContact O-CE1 3.45Å; L622-Y671 HydrophobicContact CD1-CE2 4.06Å; L622-Y671 WeakPolarHBondContact CD1-OH 3.46Å; L622-Y671 HydrophobicContact CD2-CE2 4.23Å; L622-Y671 HydrophobicContact CG-CE2 4.18Å; L622-Y671 WeakPolarHBondContact CG-OH 3.37Å; E626-Y671 PolarHBondContact OE1-OH 3.36Å; W669-Y671 PolarHBondContact O-N 2.85Å; Y671-G673 VanDerWaalsContact C-N 3.27Å; Y671-G673 PolarHBondContact O-N 3.4Å; Y671-F674 HydrophobicContact CD1-CD1 4.27Å; Y671-F674 AromaticContact CE1-CD1 3.9Å; Y671-F674 HydrophobicContact CE1-CD1 3.9Å; Y671-F674 HydrophobicContact CE1-CE1 4.31Å; Y671-F674 HydrophobicContact CE2-CD1 4.15Å; Y671-F674 HydrophobicContact CE2-CE1 4.49Å; Y671-F674 AromaticContact CZ-CD1 3.83Å; Y671-F674 AromaticContact CZ-CE1 3.98Å; Y671-F674 CarbonylContact O-C 3.53Å; Y671-F674 VanDerWaalsContact O-CB 3.3Å; Y671-F674 WeakPolarHBondContact O-CB 3.36Å; Y671-F674 PolarHBondContact O-N 2.95Å; Y671-S675 WeakPolarHBondContact CD1-OG 3.48Å; Y671-S675 WeakPolarHBondContact CE1-OG 3.32Å; Y671-S675 WeakPolarHBondContact O-CB 3.43Å; Y671-S675 PolarHBondContact O-N 2.89Å; Y671-S675 PolarHBondContact O-OG 2.75Å; Y671-S675 VanDerWaalsContact O-OG 3.06Å; Y671-F700 HydrophobicContact CD2-CE1 4.21Å; Y671-F700 AromaticContact CD2-CZ 3.86Å; Y671-F700 HydrophobicContact CD2-CZ 3.86Å; Y671-F700 AromaticContact CE2-CE1 3.98Å; Y671-F700 HydrophobicContact CE2-CE1 3.98Å; Y671-F700 AromaticContact CE2-CZ 3.53Å; Y671-F700 HydrophobicContact CE2-CZ 3.53Å; Y671-Y707 HydrophobicContact CD2-CE1 4.25Å; Y671-Y707 VanDerWaalsContact CD2-OH 3.26Å; Y671-Y707 WeakPolarHBondContact CD2-OH 3.45Å; Y671-Y707 HydrophobicContact CE2-CE1 4.46Å
672	G	98.3	Very high	95.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.5	-30.1	170.5	0	0	0	0	0	114	V570 Y571 G668 W669 S670 T676	V570-G672 WeakPolarHBondContact O-CA 3.45Å; Y571-G672 WeakPolarHBondContact O-CA 3.42Å; G668-G672 VanDerWaalsContact C-C 3.49Å; G668-G672 WeakPolarHBondContact CA-O 3.34Å; W669-G672 VanDerWaalsContact O-CA 3.27Å; W669-G672 WeakPolarHBondContact O-CA 3.5Å; W669-G672 PolarHBondContact O-N 3.12Å; S670-G672 PolarHBondContact O-N 3.01Å; G672-T676 WeakPolarHBondContact O-CB 3.43Å; G672-T676 PolarHBondContact O-N 2.84Å; G672-T676 PolarHBondContact O-OG1 3.28Å
673	G	98.4	Very high	95.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-70.1	-41.9	171.9	0	0	0	0	0	111.1	W669 S670 Y671 T676 A677 S693 P696	W669-G673 VanDerWaalsContact C-N 3.33Å; W669-G673 PolarHBondContact O-N 2.9Å; S670-G673 WeakPolarHBondContact O-CA 3.38Å; S670-G673 PolarHBondContact O-N 2.8Å; Y671-G673 VanDerWaalsContact C-N 3.27Å; Y671-G673 PolarHBondContact O-N 3.4Å; G673-T676 PolarHBondContact O-N 2.88Å; G673-A677 PolarHBondContact O-N 3.28Å; G673-S693 PolarHBondContact O-OG 3.06Å; G673-S693 VanDerWaalsContact O-OG 3.12Å; G673-P696 VanDerWaalsContact C-CB 3.47Å
674	F	98.5	Very high	95.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-56.9	-52.5	168.5	166.6	-114.4	0	0	0	111.1	S670 Y671 T676 A677 R678 V697 F700 T725 V727	S670-F674 PolarHBondContact O-N 3.33Å; Y671-F674 HydrophobicContact CD1-CD1 4.27Å; Y671-F674 AromaticContact CE1-CD1 3.9Å; Y671-F674 HydrophobicContact CE1-CD1 3.9Å; Y671-F674 HydrophobicContact CE1-CE1 4.31Å; Y671-F674 HydrophobicContact CE2-CD1 4.15Å; Y671-F674 HydrophobicContact CE2-CE1 4.49Å; Y671-F674 AromaticContact CZ-CD1 3.83Å; Y671-F674 AromaticContact CZ-CE1 3.98Å; Y671-F674 CarbonylContact O-C 3.53Å; Y671-F674 VanDerWaalsContact O-CB 3.3Å; Y671-F674 WeakPolarHBondContact O-CB 3.36Å; Y671-F674 PolarHBondContact O-N 2.95Å; F674-T676 VanDerWaalsContact C-N 3.28Å; F674-T676 PolarHBondContact O-N 2.77Å; F674-A677 PolarHBondContact O-N 3.1Å; F674-A677 VanDerWaalsContact O-N 3.13Å; F674-R678 HydrophobicContact CD2-CB 4.47Å; F674-R678 HydrophobicContact CE2-CB 4.03Å; F674-R678 HydrophobicContact CE2-CG 4.24Å; F674-R678 HydrophobicContact CZ-CB 4.13Å; F674-R678 HydrophobicContact CZ-CG 4Å; F674-R678 VanDerWaalsContact O-CB 3.29Å; F674-R678 WeakPolarHBondContact O-CB 2.97Å; F674-R678 PolarHBondContact O-N 2.61Å; F674-V697 WeakPolarHBondContact CA-O 3.17Å; F674-V697 HydrophobicContact CB-CB 4.24Å; F674-V697 VanDerWaalsContact CB-O 3.25Å; F674-V697 WeakPolarHBondContact CB-O 3.4Å; F674-F700 AromaticContact CD1-CE2 3.72Å; F674-F700 HydrophobicContact CD1-CE2 3.72Å; F674-F700 AromaticContact CD1-CZ 3.85Å; F674-F700 HydrophobicContact CD1-CZ 3.85Å; F674-F700 AromaticContact CD2-CE2 3.9Å; F674-F700 HydrophobicContact CD2-CE2 3.9Å; F674-F700 AromaticContact CE1-CE2 3.7Å; F674-F700 HydrophobicContact CE1-CE2 3.7Å; F674-F700 HydrophobicContact CE1-CZ 4.08Å; F674-F700 AromaticContact CE2-CE2 3.91Å; F674-F700 HydrophobicContact CE2-CE2 3.91Å; F674-F700 AromaticContact CG-CE2 3.82Å; F674-F700 HydrophobicContact CG-CE2 3.82Å; F674-F700 HydrophobicContact CG-CZ 4.17Å; F674-F700 AromaticContact CZ-CE2 3.79Å; F674-F700 HydrophobicContact CZ-CE2 3.79Å; F674-T725 VanDerWaalsContact CE2-O 3.25Å; F674-T725 WeakPolarHBondContact CE2-O 3.11Å; F674-T725 HydrophobicContact CZ-CG2 4.09Å; F674-V727 HydrophobicContact CD2-CG1 3.99Å; F674-V727 HydrophobicContact CE2-CG1 3.8Å
675	S	97.8	Very high	95.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-55.9	-42.7	178.4	-64	0	0	0	0	111.8	Y571 I627 Y671 R678 I679	Y571-S675 PolarHBondContact O-OG 2.87Å; I627-S675 WeakPolarHBondContact CD1-OG 3.48Å; Y671-S675 WeakPolarHBondContact CD1-OG 3.48Å; Y671-S675 WeakPolarHBondContact CE1-OG 3.32Å; Y671-S675 WeakPolarHBondContact O-CB 3.43Å; Y671-S675 PolarHBondContact O-N 2.89Å; Y671-S675 PolarHBondContact O-OG 2.75Å; Y671-S675 VanDerWaalsContact O-OG 3.06Å; S675-R678 PolarHBondContact O-N 3.46Å; S675-I679 WeakPolarHBondContact O-CB 3.43Å; S675-I679 WeakPolarHBondContact O-CG1 3.45Å; S675-I679 PolarHBondContact O-N 2.68Å
676	T	97.6	Very high	94.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.5	-47.8	176	-62.1	0	0	0	0	111.8	V570 V666 G668 G672 G673 F674 R678 I679 V680 A691 S693	V570-T676 WeakPolarHBondContact CG1-OG1 3.37Å; V666-T676 HydrophobicContact CG1-CG2 4.14Å; V666-T676 HydrophobicContact CG2-CG2 4.28Å; G668-T676 PolarHBondContact N-OG1 3.02Å; G668-T676 VanDerWaalsContact N-OG1 3.14Å; G672-T676 WeakPolarHBondContact O-CB 3.43Å; G672-T676 PolarHBondContact O-N 2.84Å; G672-T676 PolarHBondContact O-OG1 3.28Å; G673-T676 PolarHBondContact O-N 2.88Å; F674-T676 VanDerWaalsContact C-N 3.28Å; F674-T676 PolarHBondContact O-N 2.77Å; T676-R678 PolarHBondContact O-N 3.12Å; T676-I679 PolarHBondContact O-N 2.85Å; T676-V680 WeakPolarHBondContact O-CG2 3.33Å; T676-V680 PolarHBondContact O-N 2.74Å; T676-V680 VanDerWaalsContact O-N 3.15Å; T676-A691 HydrophobicContact CG2-CB 3.76Å; T676-S693 WeakPolarHBondContact CB-OG 3.3Å; T676-S693 WeakPolarHBondContact CG2-OG 3.07Å
677	A	97.8	Very high	94	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.6	-40.8	175.8	0	0	0	0	0	112.1	G673 F674 V680 Q681 V727 F734	G673-A677 PolarHBondContact O-N 3.28Å; F674-A677 PolarHBondContact O-N 3.1Å; F674-A677 VanDerWaalsContact O-N 3.13Å; A677-V680 PolarHBondContact O-N 2.68Å; A677-Q681 PolarHBondContact O-N 3.42Å; A677-V727 HydrophobicContact CB-CB 4.49Å; A677-V727 HydrophobicContact CB-CG1 4.21Å; A677-V727 HydrophobicContact CB-CG2 4.3Å; A677-F734 HydrophobicContact CB-CE1 4.03Å; A677-F734 HydrophobicContact CB-CZ 3.94Å; A677-F734 WeakPolarHBondContact O-CZ 3.37Å
678	R	96.4	Very high	93.5	Very high	28 Å²	28	17.1 Å²	17.1	11%	0.106	9%	0.085	C	C	.	.	H	α-helix	trans	-70.9	-33.4	-179.2	-168.9	59.6	179.4	151.1	11.7	112.4	G623 I627 F674 S675 T676 Q681 M682 R724 V727	G623-R678 PolarHBondContact O-NE 3.47Å; G623-R678 PolarHBondContact O-NH2 3.34Å; I627-R678 HydrophobicContact CB-CG 4.38Å; I627-R678 HydrophobicContact CD1-CB 4.41Å; I627-R678 HydrophobicContact CG1-CB 4.26Å; I627-R678 HydrophobicContact CG1-CG 3.85Å; I627-R678 HydrophobicContact CG2-CB 4.36Å; I627-R678 HydrophobicContact CG2-CG 4.05Å; F674-R678 HydrophobicContact CD2-CB 4.47Å; F674-R678 HydrophobicContact CE2-CB 4.03Å; F674-R678 HydrophobicContact CE2-CG 4.24Å; F674-R678 HydrophobicContact CZ-CB 4.13Å; F674-R678 HydrophobicContact CZ-CG 4Å; F674-R678 VanDerWaalsContact O-CB 3.29Å; F674-R678 WeakPolarHBondContact O-CB 2.97Å; F674-R678 PolarHBondContact O-N 2.61Å; S675-R678 PolarHBondContact O-N 3.46Å; T676-R678 PolarHBondContact O-N 3.12Å; R678-Q681 PolarHBondContact O-N 2.95Å; R678-M682 HydrophobicContact CG-SD 4.2Å; R678-M682 WeakPolarHBondContact O-CB 3.32Å; R678-M682 WeakPolarHBondContact O-CG 3.32Å; R678-M682 PolarHBondContact O-N 3.27Å; R678-R724 VanDerWaalsContact CZ-O 3.27Å; R678-R724 PolarHBondContact NH1-O 3.37Å; R678-R724 VanDerWaalsContact NH2-CG 3.34Å; R678-V727 HydrophobicContact CB-CG1 4.4Å
679	I	94.1	Very high	93.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.4	-51	167.1	-75.8	167.5	0	0	0	110	L568 V570 I627 Q630 I631 V666 S675 T676 Q681 M682 N683 F688	L568-I679 HydrophobicContact CD2-CD1 4.17Å; V570-I679 HydrophobicContact CB-CD1 4.47Å; V570-I679 HydrophobicContact CG1-CD1 4.28Å; V570-I679 HydrophobicContact CG2-CD1 4.27Å; I627-I679 HydrophobicContact CG2-CG1 3.82Å; Q630-I679 HydrophobicContact CB-CD1 3.73Å; Q630-I679 HydrophobicContact CB-CG1 4.26Å; Q630-I679 HydrophobicContact CG-CD1 4.27Å; I631-I679 HydrophobicContact CG1-CG1 4.31Å; I631-I679 HydrophobicContact CG1-CG2 4.41Å; V666-I679 HydrophobicContact CG1-CG2 4.38Å; V666-I679 HydrophobicContact CG2-CD1 3.99Å; S675-I679 WeakPolarHBondContact O-CB 3.43Å; S675-I679 WeakPolarHBondContact O-CG1 3.45Å; S675-I679 PolarHBondContact O-N 2.68Å; T676-I679 PolarHBondContact O-N 2.85Å; I679-Q681 VanDerWaalsContact C-N 3.31Å; I679-Q681 PolarHBondContact O-N 3.03Å; I679-M682 PolarHBondContact O-N 3.35Å; I679-N683 WeakPolarHBondContact O-CB 2.97Å; I679-N683 PolarHBondContact O-N 2.85Å; I679-F688 HydrophobicContact CG2-CD2 3.76Å; I679-F688 HydrophobicContact CG2-CE2 3.52Å
680	V	95.2	Very high	93	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.012	9%	0.094	C	C	.	.	H	α-helix	trans	-58.7	-44.2	177.4	173.6	0	0	0	0	110.9	T676 A677 M682 A684 F685 A691 A733 F734	T676-V680 WeakPolarHBondContact O-CG2 3.33Å; T676-V680 PolarHBondContact O-N 2.74Å; T676-V680 VanDerWaalsContact O-N 3.15Å; A677-V680 PolarHBondContact O-N 2.68Å; V680-M682 PolarHBondContact O-N 3.26Å; V680-A684 WeakPolarHBondContact O-CA 3.39Å; V680-A684 PolarHBondContact O-N 3.18Å; V680-F685 HydrophobicContact CB-CZ 4.42Å; V680-F685 HydrophobicContact CG1-CD2 3.89Å; V680-F685 HydrophobicContact CG1-CE1 4.28Å; V680-F685 HydrophobicContact CG1-CE2 3.52Å; V680-F685 HydrophobicContact CG1-CG 4.46Å; V680-F685 HydrophobicContact CG1-CZ 3.74Å; V680-F685 HydrophobicContact CG2-CD1 4.24Å; V680-F685 HydrophobicContact CG2-CE1 3.64Å; V680-F685 HydrophobicContact CG2-CE2 4.34Å; V680-F685 HydrophobicContact CG2-CZ 3.71Å; V680-A691 HydrophobicContact CG2-CB 3.6Å; V680-A733 HydrophobicContact CG1-CB 4.45Å; V680-A733 WeakPolarHBondContact O-CB 3.4Å; V680-F734 HydrophobicContact CB-CD1 4.12Å; V680-F734 HydrophobicContact CB-CE1 3.78Å; V680-F734 HydrophobicContact CB-CZ 4.11Å; V680-F734 HydrophobicContact CG1-CB 4.43Å; V680-F734 HydrophobicContact CG1-CD1 3.56Å; V680-F734 HydrophobicContact CG1-CD2 4.15Å; V680-F734 HydrophobicContact CG1-CE1 3.72Å; V680-F734 HydrophobicContact CG1-CE2 4.33Å; V680-F734 HydrophobicContact CG1-CG 3.79Å; V680-F734 HydrophobicContact CG1-CZ 4.13Å; V680-F734 HydrophobicContact CG2-CE1 4.42Å
681	Q	93.8	Very high	93	Very high	31 Å²	31	18.4 Å²	18.4	15%	0.145	9%	0.09	C	C	.	.	H	α-helix	trans	-64.5	-35.7	179.4	-163.9	-178.6	46.5	0	0	113.6	A677 R678 I679 V727 N730 F734	A677-Q681 PolarHBondContact O-N 3.42Å; R678-Q681 PolarHBondContact O-N 2.95Å; I679-Q681 VanDerWaalsContact C-N 3.31Å; I679-Q681 PolarHBondContact O-N 3.03Å; Q681-V727 PolarHBondContact NE2-O 2.74Å; Q681-N730 PolarHBondContact NE2-O 2.88Å; Q681-F734 HydrophobicContact CB-CE2 4.23Å; Q681-F734 HydrophobicContact CB-CZ 4.5Å
682	M	91.1	Very high	93	Very high	64 Å²	64	18.3 Å²	18.3	32%	0.315	9%	0.09	S	C	.	.	H	α-helix	trans	-88.6	-23.1	-179.7	-74.2	176.2	56.5	0	0	114	F624 I627 I631 R678 I679 V680	F624-M682 HydrophobicContact CD2-CE 3.71Å; F624-M682 HydrophobicContact CD2-SD 4.2Å; F624-M682 HydrophobicContact CE2-CE 3.91Å; I627-M682 HydrophobicContact CB-SD 4.14Å; I627-M682 HydrophobicContact CG2-CE 4.33Å; I627-M682 HydrophobicContact CG2-SD 3.72Å; I631-M682 HydrophobicContact CD1-CB 3.59Å; I631-M682 HydrophobicContact CD1-CE 4.25Å; R678-M682 HydrophobicContact CG-SD 4.2Å; R678-M682 WeakPolarHBondContact O-CB 3.32Å; R678-M682 WeakPolarHBondContact O-CG 3.32Å; R678-M682 PolarHBondContact O-N 3.27Å; I679-M682 PolarHBondContact O-N 3.35Å; V680-M682 PolarHBondContact O-N 3.26Å
683	N	87.6	Confident	93	Very high	9 Å²	9	18.3 Å²	18.3	5%	0.048	9%	0.09	C	C	.	.	H	α-helix	trans	-114.3	-12.5	-174	-177.5	-101.5	0	0	0	114.6	I631 I679 F685 Q686 T687	I631-N683 HydrophobicContact CD1-CB 4.07Å; I631-N683 HydrophobicContact CG1-CB 4.3Å; I679-N683 WeakPolarHBondContact O-CB 2.97Å; I679-N683 PolarHBondContact O-N 2.85Å; N683-F685 VanDerWaalsContact C-N 3.31Å; N683-F685 PolarHBondContact O-N 2.92Å; N683-Q686 WeakPolarHBondContact O-CB 3.43Å; N683-Q686 WeakPolarHBondContact O-CG 3.41Å; N683-Q686 PolarHBondContact O-N 3.41Å; N683-Q686 VanDerWaalsContact O-N 3.11Å; N683-Q686 PolarHBondContact OD1-N 3.26Å; N683-T687 PolarHBondContact ND2-OG1 3.16Å; N683-T687 WeakPolarHBondContact OD1-CB 3.42Å; N683-T687 PolarHBondContact OD1-N 3.46Å; N683-T687 PolarHBondContact OD1-OG1 2.78Å; N683-T687 VanDerWaalsContact OD1-OG1 3.06Å
684	A	88.9	Confident	93	Very high	30 Å²	30	18.3 Å²	18.3	25%	0.248	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	41.4	174.5	0	0	0	0	0	114.4	V680 Q686 A733 L736	V680-A684 WeakPolarHBondContact O-CA 3.39Å; V680-A684 PolarHBondContact O-N 3.18Å; A684-Q686 PolarHBondContact O-N 2.81Å; A684-Q686 VanDerWaalsContact O-N 3.09Å; A684-A733 HydrophobicContact CB-CB 4.33Å; A684-L736 HydrophobicContact CB-CD1 3.89Å
685	F	84.9	Confident	93	Very high	13 Å²	13	18.3 Å²	18.3	6%	0.057	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	24.9	-176.9	-70.7	-65.6	0	0	0	115.2	V680 N683 T687 F688 A691 A733 L736 G737 Y739	V680-F685 HydrophobicContact CB-CZ 4.42Å; V680-F685 HydrophobicContact CG1-CD2 3.89Å; V680-F685 HydrophobicContact CG1-CE1 4.28Å; V680-F685 HydrophobicContact CG1-CE2 3.52Å; V680-F685 HydrophobicContact CG1-CG 4.46Å; V680-F685 HydrophobicContact CG1-CZ 3.74Å; V680-F685 HydrophobicContact CG2-CD1 4.24Å; V680-F685 HydrophobicContact CG2-CE1 3.64Å; V680-F685 HydrophobicContact CG2-CE2 4.34Å; V680-F685 HydrophobicContact CG2-CZ 3.71Å; N683-F685 VanDerWaalsContact C-N 3.31Å; N683-F685 PolarHBondContact O-N 2.92Å; F685-T687 VanDerWaalsContact C-N 3.34Å; F685-F688 CarbonylContact C-O 3.58Å; F685-F688 WeakPolarHBondContact CA-O 3.36Å; F685-F688 VanDerWaalsContact CB-O 3.31Å; F685-F688 WeakPolarHBondContact CB-O 3.14Å; F685-F688 HydrophobicContact CD1-CB 4.47Å; F685-F688 VanDerWaalsContact CD1-O 3.25Å; F685-F688 WeakPolarHBondContact CD1-O 3.37Å; F685-A691 HydrophobicContact CE1-CB 3.78Å; F685-A691 HydrophobicContact CZ-CB 4.2Å; F685-A733 WeakPolarHBondContact CD2-O 3.46Å; F685-L736 HydrophobicContact CB-CB 4.38Å; F685-L736 HydrophobicContact CD2-CB 4.12Å; F685-G737 VanDerWaalsContact CD2-CA 3.49Å; F685-Y739 HydrophobicContact CZ-CD2 4.49Å
686	Q	84.1	Confident	93.1	Very high	113 Å²	113	18.3 Å²	18.3	53%	0.528	9%	0.09	S	C	.	.	S	Bend	trans	-72.3	-30.1	174.3	-62.5	169.7	11.1	0	0	112.2	A646 N683 A684	A646-Q686 HydrophobicContact CB-CB 3.65Å; N683-Q686 WeakPolarHBondContact O-CB 3.43Å; N683-Q686 WeakPolarHBondContact O-CG 3.41Å; N683-Q686 PolarHBondContact O-N 3.41Å; N683-Q686 VanDerWaalsContact O-N 3.11Å; N683-Q686 PolarHBondContact OD1-N 3.26Å; A684-Q686 PolarHBondContact O-N 2.81Å; A684-Q686 VanDerWaalsContact O-N 3.09Å
687	T	77.1	Confident	93.1	Very high	10 Å²	10	18.4 Å²	18.4	6%	0.061	9%	0.091	C	C	.	.	S	Bend	trans	-91.9	-41.7	179	-66.2	0	0	0	0	113.4	R634 T664 N683 F685	R634-T687 VanDerWaalsContact CZ-CG2 3.43Å; R634-T687 PolarHBondContact NH1-OG1 2.85Å; R634-T687 PolarHBondContact NH2-OG1 3.2Å; T664-T687 WeakPolarHBondContact CB-O 3.32Å; T664-T687 PolarHBondContact OG1-O 3.08Å; N683-T687 PolarHBondContact ND2-OG1 3.16Å; N683-T687 WeakPolarHBondContact OD1-CB 3.42Å; N683-T687 PolarHBondContact OD1-N 3.46Å; N683-T687 PolarHBondContact OD1-OG1 2.78Å; N683-T687 VanDerWaalsContact OD1-OG1 3.06Å; F685-T687 VanDerWaalsContact C-N 3.34Å
688	F	88	Confident	93.1	Very high	13 Å²	13	18.4 Å²	18.4	6%	0.057	9%	0.091	C	C	.	.			trans	-119	144.2	-170.9	-56.9	-72	0	0	0	108.8	L568 T664 A665 V666 I679 F685	L568-F688 HydrophobicContact CB-CE1 3.82Å; L568-F688 HydrophobicContact CB-CZ 3.97Å; L568-F688 HydrophobicContact CD2-CE1 4.33Å; L568-F688 HydrophobicContact CD2-CE2 4.38Å; L568-F688 HydrophobicContact CD2-CZ 3.6Å; L568-F688 HydrophobicContact CG-CZ 4.44Å; T664-F688 CarbonylContact O-C 3.47Å; T664-F688 WeakPolarHBondContact O-CA 3.43Å; T664-F688 WeakPolarHBondContact OG1-CA 3.37Å; A665-F688 VanDerWaalsContact O-CD1 3.25Å; A665-F688 WeakPolarHBondContact O-CD1 3.48Å; A665-F688 WeakPolarHBondContact O-CE1 3.48Å; V666-F688 HydrophobicContact CB-CD1 3.95Å; V666-F688 HydrophobicContact CB-CD2 4.09Å; V666-F688 HydrophobicContact CB-CE1 3.92Å; V666-F688 HydrophobicContact CB-CE2 4.07Å; V666-F688 HydrophobicContact CB-CG 4.05Å; V666-F688 HydrophobicContact CB-CZ 3.99Å; V666-F688 HydrophobicContact CG1-CB 4.17Å; V666-F688 HydrophobicContact CG1-CD1 4.13Å; V666-F688 HydrophobicContact CG1-CD2 3.66Å; V666-F688 HydrophobicContact CG1-CE1 4.48Å; V666-F688 HydrophobicContact CG1-CE2 4.06Å; V666-F688 HydrophobicContact CG1-CG 3.71Å; V666-F688 HydrophobicContact CG1-CZ 4.46Å; I679-F688 HydrophobicContact CG2-CD2 3.76Å; I679-F688 HydrophobicContact CG2-CE2 3.52Å; F685-F688 CarbonylContact C-O 3.58Å; F685-F688 WeakPolarHBondContact CA-O 3.36Å; F685-F688 VanDerWaalsContact CB-O 3.31Å; F685-F688 WeakPolarHBondContact CB-O 3.14Å; F685-F688 HydrophobicContact CD1-CB 4.47Å; F685-F688 VanDerWaalsContact CD1-O 3.25Å; F685-F688 WeakPolarHBondContact CD1-O 3.37Å
689	K	90.7	Very high	93.2	Very high	69 Å²	69	18.4 Å²	18.4	30%	0.3	9%	0.093	S	C	.	.	S	Bend	trans	-88.5	-23.1	172.7	-55.7	-46.8	-175.8	177.5	0	113	Q662 T664 K738	Q662-K689 WeakPolarHBondContact O-CG 3.49Å; T664-K689 PolarHBondContact O-N 3.35Å; K689-K738 PolarHBondContact O-N 2.99Å
690	C	95.6	Very high	93.3	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.007	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	157.1	179.8	54.9	0	0	0	0	112.9	A665 V666 K738 F795 C799	A665-C690 WeakPolarHBondContact CA-O 3.41Å; A665-C690 VanDerWaalsContact CB-SG 3.51Å; V666-C690 PolarHBondContact N-O 3.05Å; C690-K738 CarbonylContact C-O 3.58Å; C690-K738 WeakPolarHBondContact CA-O 3.43Å; C690-K738 HydrophobicContact CB-CB 3.87Å; C690-K738 WeakPolarHBondContact CB-O 3.11Å; C690-F795 HydrophobicContact CB-CE1 3.78Å; C690-F795 HydrophobicContact CB-CZ 4.03Å; C690-C799 HydrophobicContact CB-CB 3.78Å; C690-C799 WeakPolarHBondContact CB-SG 3.33Å; C690-C799 WeakPolarHBondContact SG-CB 3.37Å; C690-C799 CovalentContact SG-SG 2.02Å; C690-C799 PolarHBondContact SG-SG 2.86Å
691	A	97.9	Very high	93.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	140.2	-179.6	0	0	0	0	0	111.6	V666 T676 V680 F685 K738 Y739 L740	V666-A691 HydrophobicContact CG1-CB 3.68Å; V666-A691 VanDerWaalsContact O-CA 3.25Å; V666-A691 WeakPolarHBondContact O-CA 3.41Å; T676-A691 HydrophobicContact CG2-CB 3.76Å; V680-A691 HydrophobicContact CG2-CB 3.6Å; F685-A691 HydrophobicContact CE1-CB 3.78Å; F685-A691 HydrophobicContact CZ-CB 4.2Å; A691-K738 PolarHBondContact N-O 2.92Å; A691-Y739 HydrophobicContact CB-CD2 3.91Å; A691-Y739 HydrophobicContact CB-CE2 4.17Å; A691-Y739 WeakPolarHBondContact O-CD2 3.3Å; A691-L740 PolarHBondContact O-N 2.88Å
692	I	98.8	Very high	93.6	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	116.8	178	-50	168.3	0	0	0	109.8	V666 W667 G668 V694 L740 I742 M792 F795 L796	V666-I692 PolarHBondContact O-N 3.01Å; W667-I692 VanDerWaalsContact CA-O 3.31Å; W667-I692 WeakPolarHBondContact CA-O 3.29Å; W667-I692 HydrophobicContact CB-CB 3.91Å; W667-I692 HydrophobicContact CB-CD1 4.45Å; G668-I692 PolarHBondContact N-O 3.07Å; I692-V694 HydrophobicContact CG2-CG2 4.24Å; I692-L740 WeakPolarHBondContact CA-O 3.31Å; I692-L740 HydrophobicContact CG1-CB 4.29Å; I692-L740 HydrophobicContact CG1-CD2 4.3Å; I692-L740 HydrophobicContact CG2-CB 4.38Å; I692-L740 HydrophobicContact CG2-CD2 4.16Å; I692-L740 HydrophobicContact CG2-CG 4.15Å; I692-I742 HydrophobicContact CG2-CD1 3.99Å; I692-M792 HydrophobicContact CD1-CB 4.08Å; I692-M792 HydrophobicContact CD1-CE 4.42Å; I692-M792 HydrophobicContact CD1-CG 4.22Å; I692-M792 HydrophobicContact CG2-CG 4.26Å; I692-F795 HydrophobicContact CD1-CD1 3.77Å; I692-F795 HydrophobicContact CD1-CE1 4.28Å; I692-F795 HydrophobicContact CG1-CD1 3.54Å; I692-F795 HydrophobicContact CG1-CE1 3.56Å; I692-L796 HydrophobicContact CD1-CD1 4.41Å; I692-L796 HydrophobicContact CD1-CD2 4.31Å; I692-L796 HydrophobicContact CD1-CG 4.1Å
693	S	98.8	Very high	93.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	116.1	174	-62.2	0	0	0	0	110.4	G673 T676 Y739 L740 I742	G673-S693 PolarHBondContact O-OG 3.06Å; G673-S693 VanDerWaalsContact O-OG 3.12Å; T676-S693 WeakPolarHBondContact CB-OG 3.3Å; T676-S693 WeakPolarHBondContact CG2-OG 3.07Å; S693-Y739 WeakPolarHBondContact CB-OH 3.14Å; S693-Y739 PolarHBondContact OG-OH 3.21Å; S693-L740 PolarHBondContact N-O 2.76Å; S693-I742 PolarHBondContact O-N 2.99Å
694	V	98.8	Very high	94.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131	173.7	-166.8	0	0	0	0	109.8	W667 G668 W669 S670 I692 P696 I742 I781 M792	W667-V694 HydrophobicContact CE3-CG2 4.42Å; W667-V694 HydrophobicContact CZ3-CG2 4.36Å; G668-V694 PolarHBondContact O-N 2.84Å; W669-V694 CarbonylContact C-O 3.58Å; W669-V694 VanDerWaalsContact CA-O 3.24Å; W669-V694 WeakPolarHBondContact CA-O 3.37Å; W669-V694 HydrophobicContact CB-CB 4.36Å; W669-V694 HydrophobicContact CD2-CB 3.75Å; W669-V694 HydrophobicContact CD2-CG1 3.54Å; W669-V694 HydrophobicContact CE3-CB 3.81Å; W669-V694 HydrophobicContact CE3-CG1 3.63Å; W669-V694 HydrophobicContact CE3-CG2 4.11Å; W669-V694 HydrophobicContact CG-CB 4.01Å; W669-V694 HydrophobicContact CG-CG1 4.19Å; W669-V694 HydrophobicContact CH2-CG1 3.87Å; W669-V694 HydrophobicContact CZ2-CG1 3.78Å; W669-V694 HydrophobicContact CZ3-CB 4.38Å; W669-V694 HydrophobicContact CZ3-CG1 3.79Å; S670-V694 PolarHBondContact N-O 3.06Å; I692-V694 HydrophobicContact CG2-CG2 4.24Å; V694-P696 VanDerWaalsContact C-CD 3.46Å; V694-P696 VanDerWaalsContact C-N 3.35Å; V694-I742 CarbonylContact C-O 3.54Å; V694-I742 WeakPolarHBondContact CA-O 3.16Å; V694-I742 HydrophobicContact CB-CB 4.46Å; V694-I742 HydrophobicContact CG1-CB 4.16Å; V694-I742 HydrophobicContact CG1-CG2 4.1Å; V694-I742 HydrophobicContact CG2-CB 4.27Å; V694-I742 HydrophobicContact CG2-CD1 4.31Å; V694-I781 HydrophobicContact CG1-CD1 3.83Å; V694-M792 HydrophobicContact CG2-SD 4.27Å
695	A	98.6	Very high	94.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	39.8	53.3	-177.6	0	0	0	0	0	113.9	S670 I742 D747 V750	S670-A695 VanDerWaalsContact CA-O 3.24Å; S670-A695 WeakPolarHBondContact CA-O 3.43Å; S670-A695 PolarHBondContact N-O 3.27Å; A695-I742 PolarHBondContact N-O 3.36Å; A695-D747 WeakPolarHBondContact CB-OD2 3.22Å; A695-V750 WeakPolarHBondContact O-CG1 3.49Å
696	P	98.7	Very high	95.3	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.081	C	C	.	.			trans	-73.8	137.6	-173.6	29.6	-35	0	0	0	112.2	G673 V694 T698 L741 V750 N754	G673-P696 VanDerWaalsContact C-CB 3.47Å; V694-P696 VanDerWaalsContact C-CD 3.46Å; V694-P696 VanDerWaalsContact C-N 3.35Å; P696-T698 HydrophobicContact CB-CG2 4.27Å; P696-T698 HydrophobicContact CG-CG2 4.12Å; P696-L741 HydrophobicContact CG-CD1 3.49Å; P696-L741 VanDerWaalsContact CG-CD1 3.49Å; P696-V750 WeakPolarHBondContact O-CG1 3.26Å; P696-N754 WeakPolarHBondContact O-CB 3.44Å
697	V	98.5	Very high	96	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.012	6%	0.059	C	C	.	.			trans	-65.7	132.3	154.4	-178.5	0	0	0	0	107.1	F674 F700 Y703 V750	F674-V697 WeakPolarHBondContact CA-O 3.17Å; F674-V697 HydrophobicContact CB-CB 4.24Å; F674-V697 VanDerWaalsContact CB-O 3.25Å; F674-V697 WeakPolarHBondContact CB-O 3.4Å; V697-F700 HydrophobicContact CB-CE2 4.43Å; V697-F700 HydrophobicContact CB-CZ 4.32Å; V697-F700 HydrophobicContact CG1-CD1 4.13Å; V697-F700 HydrophobicContact CG1-CD2 3.84Å; V697-F700 HydrophobicContact CG1-CE1 4.07Å; V697-F700 HydrophobicContact CG1-CE2 3.8Å; V697-F700 HydrophobicContact CG1-CG 4.03Å; V697-F700 HydrophobicContact CG1-CZ 3.92Å; V697-Y703 HydrophobicContact CG2-CD2 3.76Å; V697-Y703 HydrophobicContact CG2-CE2 3.92Å; V697-Y703 HydrophobicContact CG2-CG 4.24Å; V697-V750 HydrophobicContact CG2-CG1 3.92Å; V697-V750 HydrophobicContact CG2-CG2 3.82Å
698	T	97.9	Very high	96.9	Very high	1 Å²	1	13 Å²	13	1%	0.006	6%	0.056	C	C	.	.			trans	-121.1	-19.6	-177	61.7	0	0	0	0	112.8	P696 N726 V727 N754 F758	P696-T698 HydrophobicContact CB-CG2 4.27Å; P696-T698 HydrophobicContact CG-CG2 4.12Å; T698-N726 CarbonylContact O-C 3.55Å; T698-N726 WeakPolarHBondContact O-CA 3.4Å; T698-V727 HydrophobicContact CG2-CG2 4.12Å; T698-V727 PolarHBondContact O-N 3.02Å; T698-N754 WeakPolarHBondContact CB-O 3.44Å; T698-N754 HydrophobicContact CG2-CB 4.16Å; T698-N754 WeakPolarHBondContact CG2-O 3.1Å; T698-N754 PolarHBondContact N-OD1 3.12Å; T698-N754 VanDerWaalsContact OG1-CA 3.25Å; T698-N754 WeakPolarHBondContact OG1-CA 3.46Å; T698-N754 WeakPolarHBondContact OG1-CB 3.4Å; T698-N754 PolarHBondContact OG1-O 2.76Å; T698-N754 PolarHBondContact OG1-OD1 2.83Å; T698-F758 HydrophobicContact CG2-CB 3.72Å; T698-F758 HydrophobicContact CG2-CD1 3.76Å; T698-F758 HydrophobicContact CG2-CG 3.92Å
699	N	97.3	Very high	97.4	Very high	27 Å²	27	12.4 Å²	12.4	14%	0.144	5%	0.053	C	C	.	.			trans	-152.8	114.7	173.2	170	11.2	0	0	0	107.3	R701 L702 N726	N699-R701 PolarHBondContact O-N 3.33Å; N699-R701 WeakPolarHBondContact OD1-CB 3.36Å; N699-R701 PolarHBondContact OD1-N 2.78Å; N699-R701 VanDerWaalsContact OD1-N 3.12Å; N699-L702 HydrophobicContact CB-CD1 4.09Å; N699-L702 HydrophobicContact CB-CG 4.09Å; N699-L702 WeakPolarHBondContact O-CB 3.3Å; N699-L702 PolarHBondContact O-N 3.16Å; N699-N726 HydrophobicContact CB-CB 4.31Å
700	F	97.8	Very high	97.7	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-63.5	-16	-175.4	-82.2	-95.6	0	0	0	114	V290 L622 Y671 F674 V697 L702 Y703 Y707 T708 L712 Y722 T725	V290-F700 WeakPolarHBondContact CG2-O 3.47Å; L622-F700 HydrophobicContact CD2-CD1 4.02Å; L622-F700 HydrophobicContact CD2-CE1 3.76Å; L622-F700 HydrophobicContact CD2-CE2 4.46Å; L622-F700 HydrophobicContact CD2-CG 4.48Å; L622-F700 HydrophobicContact CD2-CZ 3.99Å; Y671-F700 HydrophobicContact CD2-CE1 4.21Å; Y671-F700 AromaticContact CD2-CZ 3.86Å; Y671-F700 HydrophobicContact CD2-CZ 3.86Å; Y671-F700 AromaticContact CE2-CE1 3.98Å; Y671-F700 HydrophobicContact CE2-CE1 3.98Å; Y671-F700 AromaticContact CE2-CZ 3.53Å; Y671-F700 HydrophobicContact CE2-CZ 3.53Å; F674-F700 AromaticContact CD1-CE2 3.72Å; F674-F700 HydrophobicContact CD1-CE2 3.72Å; F674-F700 AromaticContact CD1-CZ 3.85Å; F674-F700 HydrophobicContact CD1-CZ 3.85Å; F674-F700 AromaticContact CD2-CE2 3.9Å; F674-F700 HydrophobicContact CD2-CE2 3.9Å; F674-F700 AromaticContact CE1-CE2 3.7Å; F674-F700 HydrophobicContact CE1-CE2 3.7Å; F674-F700 HydrophobicContact CE1-CZ 4.08Å; F674-F700 AromaticContact CE2-CE2 3.91Å; F674-F700 HydrophobicContact CE2-CE2 3.91Å; F674-F700 AromaticContact CG-CE2 3.82Å; F674-F700 HydrophobicContact CG-CE2 3.82Å; F674-F700 HydrophobicContact CG-CZ 4.17Å; F674-F700 AromaticContact CZ-CE2 3.79Å; F674-F700 HydrophobicContact CZ-CE2 3.79Å; V697-F700 HydrophobicContact CB-CE2 4.43Å; V697-F700 HydrophobicContact CB-CZ 4.32Å; V697-F700 HydrophobicContact CG1-CD1 4.13Å; V697-F700 HydrophobicContact CG1-CD2 3.84Å; V697-F700 HydrophobicContact CG1-CE1 4.07Å; V697-F700 HydrophobicContact CG1-CE2 3.8Å; V697-F700 HydrophobicContact CG1-CG 4.03Å; V697-F700 HydrophobicContact CG1-CZ 3.92Å; F700-L702 PolarHBondContact O-N 3.14Å; F700-Y703 PolarHBondContact O-N 3.14Å; F700-Y707 HydrophobicContact CE1-CD1 4.49Å; F700-Y707 HydrophobicContact CE1-CE1 4.07Å; F700-T708 HydrophobicContact CB-CG2 3.74Å; F700-T708 HydrophobicContact CD1-CG2 4Å; F700-T708 HydrophobicContact CG-CG2 4.32Å; F700-L712 HydrophobicContact CB-CD1 4.15Å; F700-L712 HydrophobicContact CG-CD1 4.46Å; F700-Y722 HydrophobicContact CB-CD1 4.33Å; F700-Y722 HydrophobicContact CB-CE1 4.49Å; F700-T725 VanDerWaalsContact CD2-CB 3.45Å; F700-T725 HydrophobicContact CD2-CG2 4.01Å; F700-T725 WeakPolarHBondContact CD2-OG1 3.48Å; F700-T725 HydrophobicContact CE2-CG2 4.28Å
701	R	97	Very high	97.7	Very high	104 Å²	104	9.8 Å²	9.8	39%	0.392	4%	0.041	S	C	.	.	G	3₁₀ helix	trans	-66.6	-12.9	168.1	-59.5	-170.7	67.6	-175.7	-8.4	114.3	N699 Y715 Y722	N699-R701 PolarHBondContact O-N 3.33Å; N699-R701 WeakPolarHBondContact OD1-CB 3.36Å; N699-R701 PolarHBondContact OD1-N 2.78Å; N699-R701 VanDerWaalsContact OD1-N 3.12Å; R701-Y715 VanDerWaalsContact CD-CE2 3.44Å; R701-Y715 HydrophobicContact CG-CD2 4.16Å; R701-Y715 HydrophobicContact CG-CE2 4.14Å; R701-Y715 PolarHBondContact NH1-OH 3.39Å; R701-Y722 HydrophobicContact CG-CD1 3.84Å
702	L	97.3	Very high	97.7	Very high	26 Å²	26	9.8 Å²	9.8	14%	0.136	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-97.8	-5.6	177	-54.3	-179	0	0	0	112.9	K289 N699 F700 Q753	K289-L702 WeakPolarHBondContact CE-O 3.41Å; N699-L702 HydrophobicContact CB-CD1 4.09Å; N699-L702 HydrophobicContact CB-CG 4.09Å; N699-L702 WeakPolarHBondContact O-CB 3.3Å; N699-L702 PolarHBondContact O-N 3.16Å; F700-L702 PolarHBondContact O-N 3.14Å; L702-Q753 HydrophobicContact CD1-CG 4.32Å
703	Y	97.7	Very high	97.5	Very high	11 Å²	11	9.9 Å²	9.9	4%	0.043	4%	0.043	C	C	.	.	S	Bend	trans	-97.7	174.8	176.3	-154.4	-114.9	0	0	0	110	K289 V290 V697 F700 Y707 N749 V750	K289-Y703 WeakPolarHBondContact CA-O 3.44Å; V290-Y703 PolarHBondContact N-O 3.01Å; V697-Y703 HydrophobicContact CG2-CD2 3.76Å; V697-Y703 HydrophobicContact CG2-CE2 3.92Å; V697-Y703 HydrophobicContact CG2-CG 4.24Å; F700-Y703 PolarHBondContact O-N 3.14Å; Y703-Y707 AromaticContact CD1-CD1 3.88Å; Y703-Y707 HydrophobicContact CD1-CD1 3.88Å; Y703-Y707 HydrophobicContact CD1-CG 4.15Å; Y703-Y707 AromaticContact CE1-CD1 3.66Å; Y703-Y707 HydrophobicContact CE1-CD1 3.66Å; Y703-Y707 HydrophobicContact CE1-CD2 4.25Å; Y703-Y707 HydrophobicContact CE1-CE1 4.34Å; Y703-Y707 AromaticContact CE1-CG 3.62Å; Y703-Y707 HydrophobicContact CE1-CG 3.62Å; Y703-N749 WeakPolarHBondContact CE2-OD1 3.42Å; Y703-N749 PolarHBondContact OH-OD1 3.23Å; Y703-V750 HydrophobicContact CD2-CG2 4.39Å; Y703-V750 HydrophobicContact CE2-CB 4.43Å; Y703-V750 HydrophobicContact CE2-CG2 3.65Å
704	D	97	Very high	97.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.052	C	C	.	.	B	Isolated β-bridge	trans	-72.4	156.9	-173.7	82	101.2	0	0	0	112.8	W233 Y287 P288 T706 Y707 T708	W233-D704 HydrophobicContact CH2-CB 4.46Å; W233-D704 HydrophobicContact CZ3-CB 3.93Å; Y287-D704 HydrophobicContact CD1-CB 4.24Å; Y287-D704 HydrophobicContact CE1-CB 3.54Å; Y287-D704 HydrophobicContact CE2-CB 4.4Å; Y287-D704 PolarHBondContact OH-N 2.89Å; P288-D704 CarbonylContact O-C 3.57Å; P288-D704 VanDerWaalsContact O-CA 3.31Å; P288-D704 WeakPolarHBondContact O-CA 3.5Å; D704-T706 VanDerWaalsContact OD1-CA 3.25Å; D704-T706 WeakPolarHBondContact OD1-CA 3.42Å; D704-T706 WeakPolarHBondContact OD1-CB 3.35Å; D704-T706 PolarHBondContact OD1-N 3.38Å; D704-Y707 PolarHBondContact OD1-N 3.21Å; D704-Y707 WeakPolarHBondContact OD2-CB 3.41Å; D704-T708 WeakPolarHBondContact O-CB 3.03Å; D704-T708 PolarHBondContact O-N 2.88Å; D704-T708 PolarHBondContact O-OG1 3.23Å
705	A	97.4	Very high	97.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-69.7	-33.5	178.9	0	0	0	0	0	112.8	P288 L294 E709	P288-A705 WeakPolarHBondContact O-CB 3.15Å; P288-A705 PolarHBondContact O-N 3.32Å; L294-A705 HydrophobicContact CD2-CB 4.01Å; A705-E709 HydrophobicContact CB-CG 4.43Å; A705-E709 WeakPolarHBondContact CB-OE1 3.24Å; A705-E709 WeakPolarHBondContact O-CB 2.79Å; A705-E709 VanDerWaalsContact O-CG 3.3Å; A705-E709 WeakPolarHBondContact O-CG 3.25Å; A705-E709 PolarHBondContact O-N 2.89Å
706	T	97.2	Very high	97.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-73.1	-47.2	-171.7	-49.8	0	0	0	0	111.8	V234 E238 V239 Y325 Q350 D704 R710	V234-T706 HydrophobicContact CG2-CG2 4.41Å; V234-T706 WeakPolarHBondContact CG2-OG1 3.46Å; E238-T706 HydrophobicContact CB-CG2 3.75Å; V239-T706 HydrophobicContact CG2-CG2 3.85Å; Y325-T706 HydrophobicContact CD1-CG2 4.32Å; Y325-T706 HydrophobicContact CE1-CG2 3.64Å; Y325-T706 WeakPolarHBondContact CE1-OG1 3.32Å; Y325-T706 HydrophobicContact CE2-CG2 4.25Å; Y325-T706 WeakPolarHBondContact OH-CA 3.43Å; Y325-T706 PolarHBondContact OH-OG1 3.44Å; Q350-T706 PolarHBondContact NE2-O 3.22Å; D704-T706 VanDerWaalsContact OD1-CA 3.25Å; D704-T706 WeakPolarHBondContact OD1-CA 3.42Å; D704-T706 WeakPolarHBondContact OD1-CB 3.35Å; D704-T706 PolarHBondContact OD1-N 3.38Å; T706-R710 WeakPolarHBondContact O-CB 3.48Å
707	Y	97	Very high	97	Very high	17 Å²	17	24.7 Å²	24.7	7%	0.067	12%	0.115	C	C	.	.	H	α-helix	trans	-64	-52.4	169	-173.2	-88.3	0	0	0	110.3	E238 P574 Y671 F700 Y703 D704 R710 Y711	E238-Y707 WeakPolarHBondContact OE1-CD2 3.4Å; P574-Y707 WeakPolarHBondContact CD-OH 3.22Å; P574-Y707 WeakPolarHBondContact CG-OH 3.48Å; Y671-Y707 HydrophobicContact CD2-CE1 4.25Å; Y671-Y707 VanDerWaalsContact CD2-OH 3.26Å; Y671-Y707 WeakPolarHBondContact CD2-OH 3.45Å; Y671-Y707 HydrophobicContact CE2-CE1 4.46Å; F700-Y707 HydrophobicContact CE1-CD1 4.49Å; F700-Y707 HydrophobicContact CE1-CE1 4.07Å; Y703-Y707 AromaticContact CD1-CD1 3.88Å; Y703-Y707 HydrophobicContact CD1-CD1 3.88Å; Y703-Y707 HydrophobicContact CD1-CG 4.15Å; Y703-Y707 AromaticContact CE1-CD1 3.66Å; Y703-Y707 HydrophobicContact CE1-CD1 3.66Å; Y703-Y707 HydrophobicContact CE1-CD2 4.25Å; Y703-Y707 HydrophobicContact CE1-CE1 4.34Å; Y703-Y707 AromaticContact CE1-CG 3.62Å; Y703-Y707 HydrophobicContact CE1-CG 3.62Å; D704-Y707 PolarHBondContact OD1-N 3.21Å; D704-Y707 WeakPolarHBondContact OD2-CB 3.41Å; Y707-R710 WeakPolarHBondContact O-CB 3.33Å; Y707-R710 PolarHBondContact O-N 3.15Å; Y707-Y711 AromaticContact CD1-CD2 3.9Å; Y707-Y711 HydrophobicContact CD1-CD2 3.9Å; Y707-Y711 AromaticContact CD1-CE2 3.89Å; Y707-Y711 HydrophobicContact CD1-CE2 3.89Å; Y707-Y711 AromaticContact CD2-CE2 3.75Å; Y707-Y711 HydrophobicContact CD2-CE2 3.75Å; Y707-Y711 AromaticContact CE1-CD2 3.73Å; Y707-Y711 HydrophobicContact CE1-CD2 3.73Å; Y707-Y711 AromaticContact CE1-CE2 3.73Å; Y707-Y711 HydrophobicContact CE1-CE2 3.73Å; Y707-Y711 HydrophobicContact CE2-CD2 4.44Å; Y707-Y711 AromaticContact CE2-CE2 3.61Å; Y707-Y711 HydrophobicContact CE2-CE2 3.61Å; Y707-Y711 HydrophobicContact CG-CD2 4.31Å; Y707-Y711 AromaticContact CG-CE2 3.88Å; Y707-Y711 HydrophobicContact CG-CE2 3.88Å; Y707-Y711 AromaticContact CZ-CE2 3.59Å; Y707-Y711 WeakPolarHBondContact O-CD2 3.44Å; Y707-Y711 WeakPolarHBondContact O-CE2 3.46Å
708	T	97.8	Very high	96.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-73.8	-43.1	-163	-54.1	0	0	0	0	112.8	V290 F700 D704 R710 Y711 L712 Y722	V290-T708 HydrophobicContact CG2-CG2 3.65Å; F700-T708 HydrophobicContact CB-CG2 3.74Å; F700-T708 HydrophobicContact CD1-CG2 4Å; F700-T708 HydrophobicContact CG-CG2 4.32Å; D704-T708 WeakPolarHBondContact O-CB 3.03Å; D704-T708 PolarHBondContact O-N 2.88Å; D704-T708 PolarHBondContact O-OG1 3.23Å; T708-R710 VanDerWaalsContact C-N 3.28Å; T708-R710 PolarHBondContact O-N 2.03Å; T708-Y711 PolarHBondContact O-N 3.32Å; T708-L712 HydrophobicContact CG2-CD1 3.98Å; T708-L712 WeakPolarHBondContact O-CB 3.38Å; T708-L712 PolarHBondContact O-N 3.41Å; T708-Y722 HydrophobicContact CG2-CD1 4.45Å; T708-Y722 HydrophobicContact CG2-CE1 3.45Å; T708-Y722 VanDerWaalsContact CG2-CE1 3.45Å
709	E	97.4	Very high	96.9	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-75.2	-19.1	-177.3	-58.4	173.1	-169.5	0	0	111.9	V290 A291 R348 A705 G713 L714	V290-E709 WeakPolarHBondContact CA-OE1 3.44Å; V290-E709 HydrophobicContact CG1-CG 4.47Å; A291-E709 PolarHBondContact N-OE1 2.7Å; R348-E709 WeakPolarHBondContact CG-OE2 3.41Å; R348-E709 IonicContact CZ-OE1 3.94Å; R348-E709 IonicContact CZ-OE2 3.65Å; R348-E709 IonicContact NE-OE1 3.23Å; R348-E709 IonicContact NE-OE2 3.54Å; R348-E709 PolarHBondContact NE-OE2 2.88Å; R348-E709 IonicContact NH2-OE1 2.72Å; R348-E709 PolarHBondContact NH2-OE1 3.44Å; R348-E709 IonicContact NH2-OE2 2.7Å; R348-E709 PolarHBondContact NH2-OE2 3.16Å; A705-E709 HydrophobicContact CB-CG 4.43Å; A705-E709 WeakPolarHBondContact CB-OE1 3.24Å; A705-E709 WeakPolarHBondContact O-CB 2.79Å; A705-E709 VanDerWaalsContact O-CG 3.3Å; A705-E709 WeakPolarHBondContact O-CG 3.25Å; A705-E709 PolarHBondContact O-N 2.89Å; E709-G713 WeakPolarHBondContact O-CA 3.41Å; E709-G713 PolarHBondContact O-N 2.97Å; E709-L714 VanDerWaalsContact OE2-CD2 3.23Å; E709-L714 WeakPolarHBondContact OE2-CD2 3.3Å
710	R	96.4	Very high	96.8	Very high	6 Å²	6	33.3 Å²	33.3	2%	0.023	16%	0.161	C	C	.	.	H	α-helix	trans	-59.1	-47	167.8	-174.1	-172.4	-66.7	141	0.7	111.5	E238 Q350 W377 T706 Y707 T708	E238-R710 PolarHBondContact O-NH2 3.44Å; E238-R710 IonicContact OE2-CZ 3.71Å; E238-R710 IonicContact OE2-NH1 3.77Å; E238-R710 PolarHBondContact OE2-NH1 2.68Å; E238-R710 IonicContact OE2-NH2 2.8Å; Q350-R710 HydrophobicContact CB-CG 4.42Å; W377-R710 HydrophobicContact CB-CG 3.86Å; W377-R710 HydrophobicContact CG-CG 3.75Å; T706-R710 WeakPolarHBondContact O-CB 3.48Å; Y707-R710 WeakPolarHBondContact O-CB 3.33Å; Y707-R710 PolarHBondContact O-N 3.15Å; T708-R710 VanDerWaalsContact C-N 3.28Å; T708-R710 PolarHBondContact O-N 2.03Å
711	Y	96.4	Very high	96.7	Very high	9 Å²	9	33.3 Å²	33.3	4%	0.035	16%	0.162	C	C	.	.	H	α-helix	trans	-96	-31.8	-174.9	-50.4	-65.8	0	0	0	114	W377 P574 R620 Y707 T708	W377-Y711 AromaticContact CD2-CD1 3.91Å; W377-Y711 HydrophobicContact CD2-CD1 3.91Å; W377-Y711 HydrophobicContact CD2-CE1 4.09Å; W377-Y711 AromaticContact CE2-CD1 3.63Å; W377-Y711 AromaticContact CE2-CE1 3.42Å; W377-Y711 VanDerWaalsContact CE2-CE1 3.42Å; W377-Y711 HydrophobicContact CE3-CD1 4.23Å; W377-Y711 HydrophobicContact CG-CD1 4.48Å; W377-Y711 HydrophobicContact CG-CE1 4.48Å; W377-Y711 AromaticContact CH2-CD1 4Å; W377-Y711 HydrophobicContact CH2-CD1 4Å; W377-Y711 HydrophobicContact CH2-CE1 4.31Å; W377-Y711 AromaticContact CZ2-CD1 3.7Å; W377-Y711 HydrophobicContact CZ2-CD1 3.7Å; W377-Y711 AromaticContact CZ2-CE1 3.56Å; W377-Y711 HydrophobicContact CZ2-CE1 3.56Å; W377-Y711 HydrophobicContact CZ3-CD1 4.26Å; W377-Y711 AromaticContact NE1-CE1 3.44Å; P574-Y711 HydrophobicContact CB-CD1 3.57Å; P574-Y711 HydrophobicContact CB-CD2 4.43Å; P574-Y711 HydrophobicContact CB-CE1 3.54Å; P574-Y711 HydrophobicContact CB-CE2 4.43Å; P574-Y711 HydrophobicContact CB-CG 4.04Å; P574-Y711 HydrophobicContact CG-CD1 3.71Å; P574-Y711 HydrophobicContact CG-CD2 3.63Å; P574-Y711 HydrophobicContact CG-CE1 3.69Å; P574-Y711 HydrophobicContact CG-CE2 3.65Å; P574-Y711 HydrophobicContact CG-CG 3.69Å; R620-Y711 PolarHBondContact N-O 2.89Å; Y707-Y711 AromaticContact CD1-CD2 3.9Å; Y707-Y711 HydrophobicContact CD1-CD2 3.9Å; Y707-Y711 AromaticContact CD1-CE2 3.89Å; Y707-Y711 HydrophobicContact CD1-CE2 3.89Å; Y707-Y711 AromaticContact CD2-CE2 3.75Å; Y707-Y711 HydrophobicContact CD2-CE2 3.75Å; Y707-Y711 AromaticContact CE1-CD2 3.73Å; Y707-Y711 HydrophobicContact CE1-CD2 3.73Å; Y707-Y711 AromaticContact CE1-CE2 3.73Å; Y707-Y711 HydrophobicContact CE1-CE2 3.73Å; Y707-Y711 HydrophobicContact CE2-CD2 4.44Å; Y707-Y711 AromaticContact CE2-CE2 3.61Å; Y707-Y711 HydrophobicContact CE2-CE2 3.61Å; Y707-Y711 HydrophobicContact CG-CD2 4.31Å; Y707-Y711 AromaticContact CG-CE2 3.88Å; Y707-Y711 HydrophobicContact CG-CE2 3.88Å; Y707-Y711 AromaticContact CZ-CE2 3.59Å; Y707-Y711 WeakPolarHBondContact O-CD2 3.44Å; Y707-Y711 WeakPolarHBondContact O-CE2 3.46Å; T708-Y711 PolarHBondContact O-N 3.32Å
712	L	97	Very high	96.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-101.3	-16.5	-179.7	-76.6	175.8	0	0	0	114.8	L622 F700 T708 N718 Y722 T725	L622-L712 HydrophobicContact CB-CD2 3.63Å; L622-L712 HydrophobicContact CB-CG 4.02Å; L622-L712 HydrophobicContact CD2-CD1 4.06Å; L622-L712 HydrophobicContact CD2-CD2 4.48Å; L622-L712 HydrophobicContact CD2-CG 3.93Å; F700-L712 HydrophobicContact CB-CD1 4.15Å; F700-L712 HydrophobicContact CG-CD1 4.46Å; T708-L712 HydrophobicContact CG2-CD1 3.98Å; T708-L712 WeakPolarHBondContact O-CB 3.38Å; T708-L712 PolarHBondContact O-N 3.41Å; L712-N718 VanDerWaalsContact O-CB 3.28Å; L712-N718 WeakPolarHBondContact O-CB 3.46Å; L712-N718 PolarHBondContact O-ND2 3.06Å; L712-Y722 HydrophobicContact CB-CD2 4.25Å; L712-Y722 HydrophobicContact CB-CE1 4.38Å; L712-Y722 HydrophobicContact CB-CE2 3.64Å; L712-Y722 HydrophobicContact CD1-CD1 3.79Å; L712-Y722 HydrophobicContact CD1-CD2 4.19Å; L712-Y722 HydrophobicContact CD1-CE1 3.79Å; L712-Y722 HydrophobicContact CD1-CE2 4.18Å; L712-Y722 HydrophobicContact CD1-CG 4Å; L712-T725 HydrophobicContact CD1-CG2 4.48Å
713	G	95.9	Very high	96.7	Very high	3 Å²	3	29.9 Å²	29.9	3%	0.031	15%	0.151	C	C	.	.			trans	75.7	-179.6	-167	0	0	0	0	0	113	E709 Y722	E709-G713 WeakPolarHBondContact O-CA 3.41Å; E709-G713 PolarHBondContact O-N 2.97Å; G713-Y722 WeakPolarHBondContact O-CE2 3.42Å; G713-Y722 PolarHBondContact O-OH 3.36Å
714	L	96.3	Very high	96.5	Very high	37 Å²	37	33.6 Å²	33.6	19%	0.194	17%	0.165	C	C	.	.			trans	-60.1	145.8	174.7	-54.6	-179.4	0	0	0	111.2	R348 V349 E709 E716 N717 N718	R348-L714 HydrophobicContact CG-CD2 4.17Å; V349-L714 HydrophobicContact CG2-CD1 4.22Å; V349-L714 HydrophobicContact CG2-CD2 3.74Å; V349-L714 HydrophobicContact CG2-CG 3.67Å; E709-L714 VanDerWaalsContact OE2-CD2 3.23Å; E709-L714 WeakPolarHBondContact OE2-CD2 3.3Å; L714-E716 HydrophobicContact CB-CG 4.49Å; L714-E716 WeakPolarHBondContact CD1-OE1 3.31Å; L714-E716 PolarHBondContact O-N 3.04Å; L714-N717 PolarHBondContact O-N 2.97Å; L714-N717 VanDerWaalsContact O-N 3.08Å; L714-N718 PolarHBondContact O-N 2.82Å
715	Y	97	Very high	96.4	Very high	45 Å²	45	33.6 Å²	33.6	18%	0.176	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-58.1	-47.6	-173.8	176.1	-107.9	0	0	0	113.1	R701 N717 N718 V719 Y722	R701-Y715 VanDerWaalsContact CD-CE2 3.44Å; R701-Y715 HydrophobicContact CG-CD2 4.16Å; R701-Y715 HydrophobicContact CG-CE2 4.14Å; R701-Y715 PolarHBondContact NH1-OH 3.39Å; Y715-N717 PolarHBondContact O-N 2.94Å; Y715-N718 CarbonylContact O-C 3.56Å; Y715-N718 PolarHBondContact O-N 2.89Å; Y715-N718 VanDerWaalsContact O-N 3.11Å; Y715-V719 HydrophobicContact CE1-CG2 4.14Å; Y715-V719 HydrophobicContact CE2-CG1 4.37Å; Y715-V719 HydrophobicContact CE2-CG2 4.38Å; Y715-V719 VanDerWaalsContact O-CG2 3.25Å; Y715-V719 WeakPolarHBondContact O-CG2 3.01Å; Y715-V719 PolarHBondContact O-N 2.98Å; Y715-Y722 HydrophobicContact CD2-CD1 4.05Å; Y715-Y722 AromaticContact CD2-CD2 3.68Å; Y715-Y722 HydrophobicContact CD2-CD2 3.68Å; Y715-Y722 HydrophobicContact CD2-CE2 4.22Å; Y715-Y722 AromaticContact CD2-CG 3.58Å; Y715-Y722 HydrophobicContact CD2-CG 3.58Å; Y715-Y722 HydrophobicContact CE2-CD2 4.41Å; Y715-Y722 HydrophobicContact CE2-CG 4.06Å
716	E	96	Very high	96.4	Very high	119 Å²	119	34.7 Å²	34.7	56%	0.556	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-58.2	-28.7	178.3	61.5	-86.9	-156.5	0	0	113.1	L714	L714-E716 HydrophobicContact CB-CG 4.49Å; L714-E716 WeakPolarHBondContact CD1-OE1 3.31Å; L714-E716 PolarHBondContact O-N 3.04Å
717	N	95.7	Very high	96.4	Very high	111 Å²	111	34.7 Å²	34.7	59%	0.594	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-91.2	-8.2	-178.7	-68.4	-38	0	0	0	113.6	L714 Y715	L714-N717 PolarHBondContact O-N 2.97Å; L714-N717 VanDerWaalsContact O-N 3.08Å; Y715-N717 PolarHBondContact O-N 2.94Å
718	N	96.5	Very high	96.3	Very high	26 Å²	26	35 Å²	35	14%	0.139	18%	0.177	C	C	.	.			trans	-149.2	38.5	-178.9	-166.2	17.7	0	0	0	114.2	R620 L712 L714 Y715 I720 G721 Y722	R620-N718 WeakPolarHBondContact CA-ND2 3.32Å; R620-N718 WeakPolarHBondContact CB-ND2 3.43Å; R620-N718 PolarHBondContact O-ND2 2.9Å; L712-N718 VanDerWaalsContact O-CB 3.28Å; L712-N718 WeakPolarHBondContact O-CB 3.46Å; L712-N718 PolarHBondContact O-ND2 3.06Å; L714-N718 PolarHBondContact O-N 2.82Å; Y715-N718 CarbonylContact O-C 3.56Å; Y715-N718 PolarHBondContact O-N 2.89Å; Y715-N718 VanDerWaalsContact O-N 3.11Å; N718-I720 PolarHBondContact O-N 2.87Å; N718-G721 PolarHBondContact O-N 3.24Å; N718-G721 PolarHBondContact OD1-N 2.84Å; N718-Y722 HydrophobicContact CB-CD2 4.43Å; N718-Y722 WeakPolarHBondContact O-CD2 3.06Å; N718-Y722 PolarHBondContact O-N 2.87Å; N718-Y722 VanDerWaalsContact O-N 3.16Å
719	V	97.1	Very high	96.1	Very high	56 Å²	56	40.7 Å²	40.7	34%	0.339	20%	0.202	S	C	.	.	H	α-helix	trans	-46.9	-40.3	-179.2	177.8	0	0	0	0	112.6	Y715 Y722 D723	Y715-V719 HydrophobicContact CE1-CG2 4.14Å; Y715-V719 HydrophobicContact CE2-CG1 4.37Å; Y715-V719 HydrophobicContact CE2-CG2 4.38Å; Y715-V719 VanDerWaalsContact O-CG2 3.25Å; Y715-V719 WeakPolarHBondContact O-CG2 3.01Å; Y715-V719 PolarHBondContact O-N 2.98Å; V719-Y722 PolarHBondContact O-N 3.01Å; V719-D723 VanDerWaalsContact O-CB 3.28Å; V719-D723 WeakPolarHBondContact O-CB 3.46Å; V719-D723 PolarHBondContact O-N 2.84Å
720	I	95.7	Very high	95.9	Very high	128 Å²	128	44.4 Å²	44.4	66%	0.656	22%	0.222	S	C	*	.	H	α-helix	trans	-67.4	-36.3	179.6	-59.5	175.8	0	0	0	112.5	N718 R724	N718-I720 PolarHBondContact O-N 2.87Å; I720-R724 WeakPolarHBondContact O-CB 3.31Å; I720-R724 PolarHBondContact O-N 3.09Å
721	G	95.7	Very high	95.9	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-66.9	-47.5	174.8	0	0	0	0	0	111.7	N718 D723 R724 T725	N718-G721 PolarHBondContact O-N 3.24Å; N718-G721 PolarHBondContact OD1-N 2.84Å; G721-D723 PolarHBondContact O-N 2.83Å; G721-R724 WeakPolarHBondContact O-CB 3.43Å; G721-R724 PolarHBondContact O-N 3.36Å; G721-T725 PolarHBondContact O-N 2.94Å
722	Y	97.4	Very high	95.9	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-46.6	173.9	-80.3	-88.7	0	0	0	112.4	V290 F700 R701 T708 L712 G713 Y715 N718 V719 R724 T725 N726	V290-Y722 HydrophobicContact CB-CE1 4.37Å; V290-Y722 HydrophobicContact CG1-CE1 3.68Å; V290-Y722 HydrophobicContact CG2-CE1 3.91Å; F700-Y722 HydrophobicContact CB-CD1 4.33Å; F700-Y722 HydrophobicContact CB-CE1 4.49Å; R701-Y722 HydrophobicContact CG-CD1 3.84Å; T708-Y722 HydrophobicContact CG2-CD1 4.45Å; T708-Y722 HydrophobicContact CG2-CE1 3.45Å; T708-Y722 VanDerWaalsContact CG2-CE1 3.45Å; L712-Y722 HydrophobicContact CB-CD2 4.25Å; L712-Y722 HydrophobicContact CB-CE1 4.38Å; L712-Y722 HydrophobicContact CB-CE2 3.64Å; L712-Y722 HydrophobicContact CD1-CD1 3.79Å; L712-Y722 HydrophobicContact CD1-CD2 4.19Å; L712-Y722 HydrophobicContact CD1-CE1 3.79Å; L712-Y722 HydrophobicContact CD1-CE2 4.18Å; L712-Y722 HydrophobicContact CD1-CG 4Å; G713-Y722 WeakPolarHBondContact O-CE2 3.42Å; G713-Y722 PolarHBondContact O-OH 3.36Å; Y715-Y722 HydrophobicContact CD2-CD1 4.05Å; Y715-Y722 AromaticContact CD2-CD2 3.68Å; Y715-Y722 HydrophobicContact CD2-CD2 3.68Å; Y715-Y722 HydrophobicContact CD2-CE2 4.22Å; Y715-Y722 AromaticContact CD2-CG 3.58Å; Y715-Y722 HydrophobicContact CD2-CG 3.58Å; Y715-Y722 HydrophobicContact CE2-CD2 4.41Å; Y715-Y722 HydrophobicContact CE2-CG 4.06Å; N718-Y722 HydrophobicContact CB-CD2 4.43Å; N718-Y722 WeakPolarHBondContact O-CD2 3.06Å; N718-Y722 PolarHBondContact O-N 2.87Å; N718-Y722 VanDerWaalsContact O-N 3.16Å; V719-Y722 PolarHBondContact O-N 3.01Å; Y722-R724 VanDerWaalsContact C-N 3.27Å; Y722-R724 PolarHBondContact O-N 2.04Å; Y722-T725 PolarHBondContact O-N 2.85Å; Y722-T725 VanDerWaalsContact O-N 3.16Å; Y722-T725 PolarHBondContact O-OG1 2.89Å; Y722-N726 PolarHBondContact O-N 3.47Å
723	D	95.5	Very high	95.7	Very high	57 Å²	57	48 Å²	48	31%	0.305	25%	0.246	S	C	.	.	H	α-helix	trans	-62.7	-31.9	178.5	-92.3	-2.1	0	0	0	113.3	V719 G721 N726 K729	V719-D723 VanDerWaalsContact O-CB 3.28Å; V719-D723 WeakPolarHBondContact O-CB 3.46Å; V719-D723 PolarHBondContact O-N 2.84Å; G721-D723 PolarHBondContact O-N 2.83Å; D723-N726 PolarHBondContact O-N 3.11Å; D723-K729 WeakPolarHBondContact OD1-CE 3.46Å; D723-K729 IonicContact OD1-NZ 2.74Å; D723-K729 PolarHBondContact OD1-NZ 3.45Å; D723-K729 IonicContact OD2-NZ 2.71Å; D723-K729 PolarHBondContact OD2-NZ 2.8Å
724	R	94.3	Very high	95.8	Very high	88 Å²	88	47.9 Å²	47.9	33%	0.332	25%	0.245	S	C	.	.	H	α-helix	trans	-68.5	-32.4	175.8	-176.4	-175.8	-58.3	165.5	2.8	112.8	R678 I720 G721 Y722 N726	R678-R724 VanDerWaalsContact CZ-O 3.27Å; R678-R724 PolarHBondContact NH1-O 3.37Å; R678-R724 VanDerWaalsContact NH2-CG 3.34Å; I720-R724 WeakPolarHBondContact O-CB 3.31Å; I720-R724 PolarHBondContact O-N 3.09Å; G721-R724 WeakPolarHBondContact O-CB 3.43Å; G721-R724 PolarHBondContact O-N 3.36Å; Y722-R724 VanDerWaalsContact C-N 3.27Å; Y722-R724 PolarHBondContact O-N 2.04Å; R724-N726 VanDerWaalsContact C-N 3.34Å
725	T	95.5	Very high	95.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-82.5	-8.1	178.3	64.5	0	0	0	0	114.1	L622 F674 F700 L712 G721 Y722 V727	L622-T725 HydrophobicContact CB-CG2 4.16Å; L622-T725 WeakPolarHBondContact O-CG2 3.43Å; F674-T725 VanDerWaalsContact CE2-O 3.25Å; F674-T725 WeakPolarHBondContact CE2-O 3.11Å; F674-T725 HydrophobicContact CZ-CG2 4.09Å; F700-T725 VanDerWaalsContact CD2-CB 3.45Å; F700-T725 HydrophobicContact CD2-CG2 4.01Å; F700-T725 WeakPolarHBondContact CD2-OG1 3.48Å; F700-T725 HydrophobicContact CE2-CG2 4.28Å; L712-T725 HydrophobicContact CD1-CG2 4.48Å; G721-T725 PolarHBondContact O-N 2.94Å; Y722-T725 PolarHBondContact O-N 2.85Å; Y722-T725 VanDerWaalsContact O-N 3.16Å; Y722-T725 PolarHBondContact O-OG1 2.89Å; T725-V727 PolarHBondContact O-N 3.35Å; T725-V727 VanDerWaalsContact O-N 3.14Å
726	N	97	Very high	95.4	Very high	24 Å²	24	51.6 Å²	51.6	13%	0.128	28%	0.277	C	S	.	.			trans	-80	95.7	178	-175	-21.6	0	0	0	110.9	T698 N699 Y722 D723 R724 A728 K729	T698-N726 CarbonylContact O-C 3.55Å; T698-N726 WeakPolarHBondContact O-CA 3.4Å; N699-N726 HydrophobicContact CB-CB 4.31Å; Y722-N726 PolarHBondContact O-N 3.47Å; D723-N726 PolarHBondContact O-N 3.11Å; R724-N726 VanDerWaalsContact C-N 3.34Å; N726-A728 PolarHBondContact O-N 3.12Å; N726-A728 WeakPolarHBondContact OD1-CB 3.42Å; N726-A728 PolarHBondContact OD1-N 3.42Å; N726-A728 VanDerWaalsContact OD1-N 3.13Å; N726-K729 HydrophobicContact CB-CD 4.46Å; N726-K729 HydrophobicContact CB-CG 4.02Å; N726-K729 PolarHBondContact O-N 2.93Å; N726-K729 PolarHBondContact OD1-N 3.09Å
727	V	96.4	Very high	95.3	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-66.2	-25.6	-178	-56.1	0	0	0	0	112.5	F674 A677 R678 Q681 T698 T725 K729 N730 F758	F674-V727 HydrophobicContact CD2-CG1 3.99Å; F674-V727 HydrophobicContact CE2-CG1 3.8Å; A677-V727 HydrophobicContact CB-CB 4.49Å; A677-V727 HydrophobicContact CB-CG1 4.21Å; A677-V727 HydrophobicContact CB-CG2 4.3Å; R678-V727 HydrophobicContact CB-CG1 4.4Å; Q681-V727 PolarHBondContact NE2-O 2.74Å; T698-V727 HydrophobicContact CG2-CG2 4.12Å; T698-V727 PolarHBondContact O-N 3.02Å; T725-V727 PolarHBondContact O-N 3.35Å; T725-V727 VanDerWaalsContact O-N 3.14Å; V727-K729 PolarHBondContact O-N 3.18Å; V727-N730 PolarHBondContact O-N 2.8Å; V727-F758 HydrophobicContact CG2-CD2 3.98Å; V727-F758 HydrophobicContact CG2-CE1 4.49Å; V727-F758 HydrophobicContact CG2-CE2 3.91Å; V727-F758 HydrophobicContact CG2-CG 4.32Å; V727-F758 HydrophobicContact CG2-CZ 4.19Å
728	A	95.3	Very high	95.3	Very high	23 Å²	23	46.1 Å²	46.1	19%	0.19	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-69.8	-16.4	178.3	0	0	0	0	0	113.4	N726 N730 F758 A761	N726-A728 PolarHBondContact O-N 3.12Å; N726-A728 WeakPolarHBondContact OD1-CB 3.42Å; N726-A728 PolarHBondContact OD1-N 3.42Å; N726-A728 VanDerWaalsContact OD1-N 3.13Å; A728-N730 VanDerWaalsContact C-N 3.3Å; A728-N730 PolarHBondContact O-N 3.39Å; A728-F758 HydrophobicContact CB-CD2 4.22Å; A728-A761 HydrophobicContact CB-CB 3.85Å; A728-A761 WeakPolarHBondContact O-CB 3.43Å
729	K	93.7	Very high	95.4	Very high	120 Å²	120	45 Å²	45	52%	0.522	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-66.4	-25.3	176.4	-72.7	-159.7	-176.5	-153.4	0	114.5	D723 N726 V727	D723-K729 WeakPolarHBondContact OD1-CE 3.46Å; D723-K729 IonicContact OD1-NZ 2.74Å; D723-K729 PolarHBondContact OD1-NZ 3.45Å; D723-K729 IonicContact OD2-NZ 2.71Å; D723-K729 PolarHBondContact OD2-NZ 2.8Å; N726-K729 HydrophobicContact CB-CD 4.46Å; N726-K729 HydrophobicContact CB-CG 4.02Å; N726-K729 PolarHBondContact O-N 2.93Å; N726-K729 PolarHBondContact OD1-N 3.09Å; V727-K729 PolarHBondContact O-N 3.18Å
730	N	93.6	Very high	95.5	Very high	78 Å²	78	42.4 Å²	42.4	42%	0.417	23%	0.231	S	C	.	.			trans	-149.4	106.3	174.7	179	6.5	0	0	0	110.2	Q681 V727 A728 T732	Q681-N730 PolarHBondContact NE2-O 2.88Å; V727-N730 PolarHBondContact O-N 2.8Å; A728-N730 VanDerWaalsContact C-N 3.3Å; A728-N730 PolarHBondContact O-N 3.39Å; N730-T732 PolarHBondContact OD1-N 3.49Å; N730-T732 PolarHBondContact OD1-OG1 3.03Å
731	V	96.9	Very high	95.6	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.024	20%	0.2	C	C	.	.			trans	-107.9	2	-175.1	-57.2	0	0	0	0	113.9	A733 F734 F758 A761 L762 Q765 I767	V731-A733 VanDerWaalsContact C-N 3.27Å; V731-A733 PolarHBondContact O-N 3.34Å; V731-F734 HydrophobicContact CB-CD2 4.25Å; V731-F734 WeakPolarHBondContact O-CB 3.36Å; V731-F734 WeakPolarHBondContact O-CD2 3.27Å; V731-F734 PolarHBondContact O-N 3.03Å; V731-F758 HydrophobicContact CG1-CD2 4.14Å; V731-F758 HydrophobicContact CG1-CE2 3.84Å; V731-A761 HydrophobicContact CG1-CB 3.86Å; V731-A761 WeakPolarHBondContact CG2-O 3.24Å; V731-L762 HydrophobicContact CB-CD2 3.93Å; V731-L762 HydrophobicContact CB-CG 4.4Å; V731-L762 HydrophobicContact CG1-CD2 4.4Å; V731-L762 HydrophobicContact CG1-CG 4.41Å; V731-L762 HydrophobicContact CG2-CD2 4.49Å; V731-Q765 HydrophobicContact CG2-CB 3.73Å; V731-Q765 HydrophobicContact CG2-CG 3.67Å; V731-I767 HydrophobicContact CG2-CG1 4.09Å
732	T	94.9	Very high	95.8	Very high	79 Å²	79	36.2 Å²	36.2	49%	0.485	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-57.1	-38.3	-174.8	55.2	0	0	0	0	113.3	N730 F734 G735	N730-T732 PolarHBondContact OD1-N 3.49Å; N730-T732 PolarHBondContact OD1-OG1 3.03Å; T732-F734 PolarHBondContact O-N 3.39Å; T732-G735 PolarHBondContact O-N 3.13Å
733	A	94.5	Very high	95.8	Very high	8 Å²	8	36.2 Å²	36.2	7%	0.066	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-58.7	-28.1	177.3	0	0	0	0	0	114.1	V680 A684 F685 V731 G735 L736	V680-A733 HydrophobicContact CG1-CB 4.45Å; V680-A733 WeakPolarHBondContact O-CB 3.4Å; A684-A733 HydrophobicContact CB-CB 4.33Å; F685-A733 WeakPolarHBondContact CD2-O 3.46Å; V731-A733 VanDerWaalsContact C-N 3.27Å; V731-A733 PolarHBondContact O-N 3.34Å; A733-G735 PolarHBondContact O-N 2.86Å; A733-L736 WeakPolarHBondContact O-CB 3.41Å; A733-L736 PolarHBondContact O-N 3.26Å
734	F	96.5	Very high	96	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-73.1	-16.4	-175.2	-67	-98.7	0	0	0	113	A677 V680 Q681 V731 T732 L736 Y739 F758 L762 I767	A677-F734 HydrophobicContact CB-CE1 4.03Å; A677-F734 HydrophobicContact CB-CZ 3.94Å; A677-F734 WeakPolarHBondContact O-CZ 3.37Å; V680-F734 HydrophobicContact CB-CD1 4.12Å; V680-F734 HydrophobicContact CB-CE1 3.78Å; V680-F734 HydrophobicContact CB-CZ 4.11Å; V680-F734 HydrophobicContact CG1-CB 4.43Å; V680-F734 HydrophobicContact CG1-CD1 3.56Å; V680-F734 HydrophobicContact CG1-CD2 4.15Å; V680-F734 HydrophobicContact CG1-CE1 3.72Å; V680-F734 HydrophobicContact CG1-CE2 4.33Å; V680-F734 HydrophobicContact CG1-CG 3.79Å; V680-F734 HydrophobicContact CG1-CZ 4.13Å; V680-F734 HydrophobicContact CG2-CE1 4.42Å; Q681-F734 HydrophobicContact CB-CE2 4.23Å; Q681-F734 HydrophobicContact CB-CZ 4.5Å; V731-F734 HydrophobicContact CB-CD2 4.25Å; V731-F734 WeakPolarHBondContact O-CB 3.36Å; V731-F734 WeakPolarHBondContact O-CD2 3.27Å; V731-F734 PolarHBondContact O-N 3.03Å; T732-F734 PolarHBondContact O-N 3.39Å; F734-L736 VanDerWaalsContact C-N 3.29Å; F734-L736 PolarHBondContact O-N 2.82Å; F734-Y739 AromaticContact CD1-CD1 3.92Å; F734-Y739 HydrophobicContact CD1-CD1 3.92Å; F734-Y739 AromaticContact CD1-CD2 3.99Å; F734-Y739 HydrophobicContact CD1-CD2 3.99Å; F734-Y739 AromaticContact CD1-CE1 3.93Å; F734-Y739 HydrophobicContact CD1-CE1 3.93Å; F734-Y739 AromaticContact CD1-CE2 4Å; F734-Y739 HydrophobicContact CD1-CE2 4Å; F734-Y739 AromaticContact CD1-CG 3.95Å; F734-Y739 HydrophobicContact CD1-CG 3.95Å; F734-Y739 AromaticContact CD1-CZ 3.96Å; F734-Y739 HydrophobicContact CE1-CD2 4.33Å; F734-Y739 HydrophobicContact CE1-CE1 4.12Å; F734-Y739 AromaticContact CE1-CE2 3.89Å; F734-Y739 HydrophobicContact CE1-CE2 3.89Å; F734-Y739 AromaticContact CE1-CZ 3.77Å; F734-F758 HydrophobicContact CD1-CZ 4.08Å; F734-F758 HydrophobicContact CE1-CE2 4.49Å; F734-F758 AromaticContact CE1-CZ 3.63Å; F734-F758 HydrophobicContact CE1-CZ 3.63Å; F734-F758 HydrophobicContact CE2-CE2 4.22Å; F734-F758 HydrophobicContact CE2-CZ 4.14Å; F734-F758 HydrophobicContact CZ-CE2 4.15Å; F734-F758 AromaticContact CZ-CZ 3.66Å; F734-F758 HydrophobicContact CZ-CZ 3.66Å; F734-L762 HydrophobicContact CB-CD2 3.81Å; F734-L762 HydrophobicContact CG-CD2 4.19Å; F734-I767 HydrophobicContact CB-CG2 3.96Å
735	G	91.7	Very high	96.1	Very high	43 Å²	43	30 Å²	30	44%	0.443	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-80.1	-3.6	174.2	0	0	0	0	0	115	T732 A733	T732-G735 PolarHBondContact O-N 3.13Å; A733-G735 PolarHBondContact O-N 2.86Å
736	L	93.4	Very high	96.1	Very high	117 Å²	117	31.3 Å²	31.3	61%	0.613	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-93.2	1.8	-173.9	-56.1	173.9	0	0	0	113.9	A684 F685 A733 F734	A684-L736 HydrophobicContact CB-CD1 3.89Å; F685-L736 HydrophobicContact CB-CB 4.38Å; F685-L736 HydrophobicContact CD2-CB 4.12Å; A733-L736 WeakPolarHBondContact O-CB 3.41Å; A733-L736 PolarHBondContact O-N 3.26Å; F734-L736 VanDerWaalsContact C-N 3.29Å; F734-L736 PolarHBondContact O-N 2.82Å
737	G	93.3	Very high	96.1	Very high	24 Å²	24	30.2 Å²	30.2	25%	0.247	17%	0.174	C	C	.	.	S	Bend	trans	-161.2	-176.8	-177.7	0	0	0	0	0	111.4	F685	F685-G737 VanDerWaalsContact CD2-CA 3.49Å
738	K	96.5	Very high	96	Very high	91 Å²	91	30.8 Å²	30.8	40%	0.396	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	121.1	177.9	-60.1	164.8	-177.2	168.5	0	108.8	K689 C690 A691 F795 G798 C799	K689-K738 PolarHBondContact O-N 2.99Å; C690-K738 CarbonylContact C-O 3.58Å; C690-K738 WeakPolarHBondContact CA-O 3.43Å; C690-K738 HydrophobicContact CB-CB 3.87Å; C690-K738 WeakPolarHBondContact CB-O 3.11Å; A691-K738 PolarHBondContact N-O 2.92Å; K738-F795 HydrophobicContact CB-CE2 4.08Å; K738-F795 HydrophobicContact CB-CZ 3.89Å; K738-F795 WeakPolarHBondContact O-CZ 3.06Å; K738-G798 PolarHBondContact NZ-O 2.84Å; K738-C799 HydrophobicContact CD-CB 4.25Å; K738-C799 PolarHBondContact NZ-O 2.84Å
739	Y	98.3	Very high	96	Very high	3 Å²	3	30.3 Å²	30.3	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.5	177.9	-169.2	-119.4	0	0	0	111.7	F685 A691 S693 F734 L741 F758 F769 Q770	F685-Y739 HydrophobicContact CZ-CD2 4.49Å; A691-Y739 HydrophobicContact CB-CD2 3.91Å; A691-Y739 HydrophobicContact CB-CE2 4.17Å; A691-Y739 WeakPolarHBondContact O-CD2 3.3Å; S693-Y739 WeakPolarHBondContact CB-OH 3.14Å; S693-Y739 PolarHBondContact OG-OH 3.21Å; F734-Y739 AromaticContact CD1-CD1 3.92Å; F734-Y739 HydrophobicContact CD1-CD1 3.92Å; F734-Y739 AromaticContact CD1-CD2 3.99Å; F734-Y739 HydrophobicContact CD1-CD2 3.99Å; F734-Y739 AromaticContact CD1-CE1 3.93Å; F734-Y739 HydrophobicContact CD1-CE1 3.93Å; F734-Y739 AromaticContact CD1-CE2 4Å; F734-Y739 HydrophobicContact CD1-CE2 4Å; F734-Y739 AromaticContact CD1-CG 3.95Å; F734-Y739 HydrophobicContact CD1-CG 3.95Å; F734-Y739 AromaticContact CD1-CZ 3.96Å; F734-Y739 HydrophobicContact CE1-CD2 4.33Å; F734-Y739 HydrophobicContact CE1-CE1 4.12Å; F734-Y739 AromaticContact CE1-CE2 3.89Å; F734-Y739 HydrophobicContact CE1-CE2 3.89Å; F734-Y739 AromaticContact CE1-CZ 3.77Å; Y739-L741 HydrophobicContact CE1-CB 4.13Å; Y739-F758 AromaticContact CE1-CE1 3.75Å; Y739-F758 HydrophobicContact CE1-CE1 3.75Å; Y739-F758 HydrophobicContact CE1-CZ 4.05Å; Y739-F758 WeakPolarHBondContact OH-CE1 3.34Å; Y739-F769 HydrophobicContact CD1-CB 4.03Å; Y739-Q770 PolarHBondContact O-N 2.81Å
740	L	98.7	Very high	96.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.5	175.7	173.1	58.2	0	0	0	110.3	A691 I692 S693 I742 Q770 L791 F795	A691-L740 PolarHBondContact O-N 2.88Å; I692-L740 WeakPolarHBondContact CA-O 3.31Å; I692-L740 HydrophobicContact CG1-CB 4.29Å; I692-L740 HydrophobicContact CG1-CD2 4.3Å; I692-L740 HydrophobicContact CG2-CB 4.38Å; I692-L740 HydrophobicContact CG2-CD2 4.16Å; I692-L740 HydrophobicContact CG2-CG 4.15Å; S693-L740 PolarHBondContact N-O 2.76Å; L740-I742 HydrophobicContact CD1-CD1 4.43Å; L740-I742 HydrophobicContact CD1-CG1 4.04Å; L740-I742 HydrophobicContact CD2-CD1 3.98Å; L740-I742 HydrophobicContact CD2-CG1 4.43Å; L740-I742 HydrophobicContact CG-CD1 4.01Å; L740-I742 HydrophobicContact CG-CG1 3.91Å; L740-Q770 WeakPolarHBondContact CA-O 3.25Å; L740-Q770 HydrophobicContact CD1-CB 3.81Å; L740-L791 HydrophobicContact CD2-CG 4.29Å; L740-F795 HydrophobicContact CB-CD1 4.14Å; L740-F795 HydrophobicContact CB-CD2 3.84Å; L740-F795 HydrophobicContact CB-CE1 3.88Å; L740-F795 HydrophobicContact CB-CE2 3.58Å; L740-F795 HydrophobicContact CB-CG 4.09Å; L740-F795 HydrophobicContact CB-CZ 3.58Å; L740-F795 HydrophobicContact CD2-CB 3.71Å; L740-F795 HydrophobicContact CD2-CD1 4.03Å; L740-F795 HydrophobicContact CD2-CD2 3.91Å; L740-F795 HydrophobicContact CD2-CG 3.61Å; L740-F795 HydrophobicContact CG-CD2 4.43Å; L740-F795 HydrophobicContact CG-CG 4.49Å
741	L	98.7	Very high	96.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.3	-177.7	-177.6	55.8	0	0	0	110.2	P696 Y739 T755 F758 V759 F769 Q770 M771 M772	P696-L741 HydrophobicContact CG-CD1 3.49Å; P696-L741 VanDerWaalsContact CG-CD1 3.49Å; Y739-L741 HydrophobicContact CE1-CB 4.13Å; L741-T755 HydrophobicContact CD2-CG2 3.89Å; L741-T755 HydrophobicContact CG-CG2 4.07Å; L741-F758 HydrophobicContact CD1-CD1 4.44Å; L741-F758 HydrophobicContact CD2-CD1 3.88Å; L741-F758 HydrophobicContact CD2-CE1 4.24Å; L741-V759 HydrophobicContact CD2-CG2 3.77Å; L741-F769 HydrophobicContact CB-CD2 4.46Å; L741-Q770 PolarHBondContact N-O 2.85Å; L741-M771 CarbonylContact O-C 3.58Å; L741-M771 VanDerWaalsContact O-CA 3.25Å; L741-M771 WeakPolarHBondContact O-CA 3.33Å; L741-M772 PolarHBondContact O-N 2.85Å
742	I	98.9	Very high	96.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.4	-173.5	-54.5	179.5	0	0	0	110.3	I692 S693 V694 A695 L740 M772 Y774 I781 L788 L791 M792	I692-I742 HydrophobicContact CG2-CD1 3.99Å; S693-I742 PolarHBondContact O-N 2.99Å; V694-I742 CarbonylContact C-O 3.54Å; V694-I742 WeakPolarHBondContact CA-O 3.16Å; V694-I742 HydrophobicContact CB-CB 4.46Å; V694-I742 HydrophobicContact CG1-CB 4.16Å; V694-I742 HydrophobicContact CG1-CG2 4.1Å; V694-I742 HydrophobicContact CG2-CB 4.27Å; V694-I742 HydrophobicContact CG2-CD1 4.31Å; A695-I742 PolarHBondContact N-O 3.36Å; L740-I742 HydrophobicContact CD1-CD1 4.43Å; L740-I742 HydrophobicContact CD1-CG1 4.04Å; L740-I742 HydrophobicContact CD2-CD1 3.98Å; L740-I742 HydrophobicContact CD2-CG1 4.43Å; L740-I742 HydrophobicContact CG-CD1 4.01Å; L740-I742 HydrophobicContact CG-CG1 3.91Å; I742-M772 WeakPolarHBondContact CA-O 3.47Å; I742-M772 HydrophobicContact CG1-CB 4.46Å; I742-Y774 HydrophobicContact CG2-CD2 4.06Å; I742-Y774 HydrophobicContact CG2-CE2 3.69Å; I742-I781 HydrophobicContact CG2-CD1 4.23Å; I742-L788 HydrophobicContact CD1-CD1 3.76Å; I742-L788 HydrophobicContact CG2-CD1 3.77Å; I742-L791 HydrophobicContact CD1-CD2 4.15Å; I742-M792 HydrophobicContact CD1-CG 3.87Å; I742-M792 HydrophobicContact CD1-SD 4.44Å
743	H	98.8	Very high	96.6	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	156	177.1	-128.9	110.8	0	0	0	113	D747 V750 Y752 T755 M772 V773 Y774	H743-D747 IonicContact CD2-OD2 3.73Å; H743-D747 IonicContact NE2-OD2 3.69Å; H743-V750 PolarHBondContact NE2-O 3.42Å; H743-Y752 HydrophobicContact CB-CD2 3.84Å; H743-Y752 HydrophobicContact CB-CE2 4.19Å; H743-Y752 AromaticContact CG-CD2 3.89Å; H743-T755 HydrophobicContact CB-CG2 4.45Å; H743-T755 PolarHBondContact CE1-OG1 3.23Å; H743-T755 VanDerWaalsContact ND1-CB 3.25Å; H743-T755 WeakPolarHBondContact ND1-CB 3.43Å; H743-T755 PolarHBondContact ND1-OG1 2.97Å; H743-M772 PolarHBondContact N-O 2.91Å; H743-V773 CarbonylContact O-C 3.55Å; H743-V773 WeakPolarHBondContact O-CA 3.38Å; H743-Y774 PolarHBondContact O-N 3.09Å
744	G	98.2	Very high	96.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	145.2	156.5	0	0	0	0	0	110.9	F746 Y774 E777	G744-F746 VanDerWaalsContact C-N 3.27Å; G744-Y774 WeakPolarHBondContact CA-O 3.45Å; G744-E777 CarbonylContact C-O 3.49Å; G744-E777 VanDerWaalsContact CA-O 3.3Å; G744-E777 WeakPolarHBondContact CA-O 3.47Å
745	S	97	Very high	96.9	Very high	13 Å²	13	24.9 Å²	24.9	9%	0.091	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-15.4	176.2	84	0	0	0	0	113.3	Y774 T775 N776	S745-Y774 PolarHBondContact N-O 3.43Å; S745-T775 WeakPolarHBondContact OG-CA 3.26Å; S745-N776 PolarHBondContact OG-N 2.82Å
746	F	96	Very high	97.2	Very high	28 Å²	28	24.8 Å²	24.8	12%	0.123	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	35.2	-174.6	-163.1	-101.2	0	0	0	110.1	L270 Y272 V283 G744 D748 E777 K778	L270-F746 HydrophobicContact CB-CD2 3.66Å; L270-F746 HydrophobicContact CB-CE2 3.49Å; L270-F746 VanDerWaalsContact CB-CE2 3.49Å; L270-F746 HydrophobicContact CB-CZ 4.3Å; L270-F746 HydrophobicContact CD1-CD2 4.35Å; L270-F746 HydrophobicContact CD1-CE2 4.24Å; L270-F746 HydrophobicContact CD1-CZ 4.35Å; Y272-F746 HydrophobicContact CD2-CD2 4.04Å; Y272-F746 HydrophobicContact CD2-CE2 4.05Å; Y272-F746 HydrophobicContact CD2-CG 4.31Å; Y272-F746 HydrophobicContact CD2-CZ 4.32Å; Y272-F746 HydrophobicContact CG-CE2 4.37Å; V283-F746 HydrophobicContact CB-CE2 3.92Å; V283-F746 HydrophobicContact CB-CZ 3.89Å; V283-F746 HydrophobicContact CG1-CZ 4.13Å; V283-F746 HydrophobicContact CG2-CE2 3.83Å; V283-F746 HydrophobicContact CG2-CZ 3.79Å; G744-F746 VanDerWaalsContact C-N 3.27Å; F746-D748 PolarHBondContact O-N 3.02Å; F746-E777 CarbonylContact C-O 3.59Å; F746-E777 PolarHBondContact N-O 3.32Å; F746-E777 VanDerWaalsContact N-O 3.11Å; F746-K778 HydrophobicContact CD1-CG 4.32Å; F746-K778 WeakPolarHBondContact O-CA 3.39Å
747	D	96.8	Very high	97.3	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.114	C	C	.	.			trans	-70.4	110.2	175.6	-162.2	-38	0	0	0	110	A695 H743 N749 V750 H751 H779	A695-D747 WeakPolarHBondContact CB-OD2 3.22Å; H743-D747 IonicContact CD2-OD2 3.73Å; H743-D747 IonicContact NE2-OD2 3.69Å; D747-N749 PolarHBondContact OD1-N 3.07Å; D747-N749 VanDerWaalsContact OD1-N 3.08Å; D747-V750 WeakPolarHBondContact CB-O 3.45Å; D747-V750 PolarHBondContact OD1-N 2.58Å; D747-H751 PolarHBondContact O-CD2 3.2Å; D747-H779 VanDerWaalsContact CG-ND1 3.31Å; D747-H779 VanDerWaalsContact OD1-CB 3.31Å; D747-H779 WeakPolarHBondContact OD1-CB 3.34Å; D747-H779 IonicContact OD1-CG 3.65Å; D747-H779 IonicContact OD1-ND1 3.66Å; D747-H779 PolarHBondContact OD1-ND1 2.98Å; D747-H779 VanDerWaalsContact OD1-ND1 3.09Å; D747-H779 VanDerWaalsContact OD2-CA 3.3Å; D747-H779 WeakPolarHBondContact OD2-CA 3.16Å; D747-H779 IonicContact OD2-CE1 3.4Å; D747-H779 IonicContact OD2-CG 3.33Å; D747-H779 IonicContact OD2-ND1 2.66Å; D747-H779 PolarHBondContact OD2-ND1 3.23Å
748	D	94.7	Very high	97.6	Very high	12 Å²	12	19.7 Å²	19.7	6%	0.064	10%	0.102	C	C	.	.	S	Bend	trans	-87.9	-3.3	-178.7	60.2	-59.4	0	0	0	113.8	W233 L270 I285 F746	W233-D748 PolarHBondContact NE1-O 3.46Å; W233-D748 VanDerWaalsContact NE1-O 3.14Å; L270-D748 HydrophobicContact CD1-CB 3.94Å; I285-D748 HydrophobicContact CD1-CB 3.8Å; F746-D748 PolarHBondContact O-N 3.02Å
749	N	95.6	Very high	97.7	Very high	13 Å²	13	16.7 Å²	16.7	7%	0.07	9%	0.092	C	C	.	.	S	Bend	trans	-113.2	-69.3	179.3	-170.4	-18.8	0	0	0	110.8	W233 E237 Y287 Y703 D747 H751 H779	W233-N749 HydrophobicContact CZ2-CB 4Å; E237-N749 PolarHBondContact OE1-ND2 3.18Å; Y287-N749 PolarHBondContact OH-O 2.85Å; Y703-N749 WeakPolarHBondContact CE2-OD1 3.42Å; Y703-N749 PolarHBondContact OH-OD1 3.23Å; D747-N749 PolarHBondContact OD1-N 3.07Å; D747-N749 VanDerWaalsContact OD1-N 3.08Å; N749-H751 PolarHBondContact O-N 2.56Å; N749-H779 HydrophobicContact CB-CB 4.3Å
750	V	97.6	Very high	97.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-90.7	85.8	169.9	-176.7	0	0	0	0	107.8	A695 P696 V697 Y703 H743 D747 Y752 N754 H779	A695-V750 WeakPolarHBondContact O-CG1 3.49Å; P696-V750 WeakPolarHBondContact O-CG1 3.26Å; V697-V750 HydrophobicContact CG2-CG1 3.92Å; V697-V750 HydrophobicContact CG2-CG2 3.82Å; Y703-V750 HydrophobicContact CD2-CG2 4.39Å; Y703-V750 HydrophobicContact CE2-CB 4.43Å; Y703-V750 HydrophobicContact CE2-CG2 3.65Å; H743-V750 PolarHBondContact NE2-O 3.42Å; D747-V750 WeakPolarHBondContact CB-O 3.45Å; D747-V750 PolarHBondContact OD1-N 2.58Å; V750-Y752 PolarHBondContact O-N 3.27Å; V750-N754 HydrophobicContact CG1-CB 4.35Å; V750-H779 WeakPolarHBondContact CG2-CE1 3.3Å
751	H	97.8	Very high	97.6	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.023	13%	0.129	C	C	.	.			trans	-47.5	134.6	-178.6	-64.3	117.3	0	0	0	114.1	V268 Y287 K289 D747 N749 Q753 N754	V268-H751 VanDerWaalsContact CG2-NE2 3.32Å; V268-H751 WeakPolarHBondContact CG2-NE2 3.36Å; Y287-H751 AromaticContact CD1-CE1 3.68Å; Y287-H751 AromaticContact CD2-CE1 3.41Å; Y287-H751 VanDerWaalsContact CD2-CE1 3.41Å; Y287-H751 WeakPolarHBondContact CD2-CE1 3.48Å; Y287-H751 AromaticContact CD2-NE2 3.9Å; Y287-H751 AromaticContact CE1-CE1 3.51Å; Y287-H751 AromaticContact CE1-ND1 3.94Å; Y287-H751 AromaticContact CE2-CE1 3.22Å; Y287-H751 WeakPolarHBondContact CE2-CE1 2.99Å; Y287-H751 AromaticContact CE2-NE2 3.9Å; Y287-H751 AromaticContact CG-CE1 3.62Å; Y287-H751 AromaticContact CZ-CE1 3.26Å; Y287-H751 AromaticContact CZ-ND1 3.72Å; K289-H751 WeakPolarHBondContact CE-ND1 3.49Å; D747-H751 PolarHBondContact O-CD2 3.2Å; N749-H751 PolarHBondContact O-N 2.56Å; H751-Q753 HydrophobicContact CB-CB 4.19Å; H751-Q753 PolarHBondContact O-N 2.73Å; H751-N754 WeakPolarHBondContact O-CB 3.22Å; H751-N754 PolarHBondContact O-N 2.84Å; H751-N754 PolarHBondContact O-ND2 3.22Å
752	Y	97.8	Very high	97.6	Very high	77 Å²	77	23.9 Å²	23.9	30%	0.302	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-25.6	174.6	179.3	-108.9	0	0	0	113.7	H743 V750 N754 T755 A756 M771 V773	H743-Y752 HydrophobicContact CB-CD2 3.84Å; H743-Y752 HydrophobicContact CB-CE2 4.19Å; H743-Y752 AromaticContact CG-CD2 3.89Å; V750-Y752 PolarHBondContact O-N 3.27Å; Y752-N754 PolarHBondContact O-N 3.14Å; Y752-N754 VanDerWaalsContact O-N 3.13Å; Y752-T755 HydrophobicContact CD2-CG2 4.22Å; Y752-T755 HydrophobicContact CE2-CG2 3.74Å; Y752-T755 PolarHBondContact O-N 2.98Å; Y752-A756 HydrophobicContact CE1-CB 4.24Å; Y752-A756 PolarHBondContact O-N 2.78Å; Y752-M771 HydrophobicContact CE2-CE 4.08Å; Y752-M771 WeakPolarHBondContact OH-CE 3.27Å; Y752-V773 HydrophobicContact CE2-CG1 4.06Å; Y752-V773 HydrophobicContact CE2-CG2 3.79Å
753	Q	97.7	Very high	97.6	Very high	94 Å²	94	27.9 Å²	27.9	44%	0.439	15%	0.153	S	C	.	.	H	α-helix	trans	-45.3	-38.5	168.4	-169.1	-174.8	19.7	0	0	113.5	L702 H751 A756 A757	L702-Q753 HydrophobicContact CD1-CG 4.32Å; H751-Q753 HydrophobicContact CB-CB 4.19Å; H751-Q753 PolarHBondContact O-N 2.73Å; Q753-A756 PolarHBondContact O-N 2.94Å; Q753-A757 WeakPolarHBondContact O-CB 3.31Å; Q753-A757 PolarHBondContact O-N 2.85Å
754	N	98.3	Very high	97.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.6	-48.8	175.2	-77.8	-86.2	0	0	0	111.4	P696 T698 V750 H751 Y752 F758	P696-N754 WeakPolarHBondContact O-CB 3.44Å; T698-N754 WeakPolarHBondContact CB-O 3.44Å; T698-N754 HydrophobicContact CG2-CB 4.16Å; T698-N754 WeakPolarHBondContact CG2-O 3.1Å; T698-N754 PolarHBondContact N-OD1 3.12Å; T698-N754 VanDerWaalsContact OG1-CA 3.25Å; T698-N754 WeakPolarHBondContact OG1-CA 3.46Å; T698-N754 WeakPolarHBondContact OG1-CB 3.4Å; T698-N754 PolarHBondContact OG1-O 2.76Å; T698-N754 PolarHBondContact OG1-OD1 2.83Å; V750-N754 HydrophobicContact CG1-CB 4.35Å; H751-N754 WeakPolarHBondContact O-CB 3.22Å; H751-N754 PolarHBondContact O-N 2.84Å; H751-N754 PolarHBondContact O-ND2 3.22Å; Y752-N754 PolarHBondContact O-N 3.14Å; Y752-N754 VanDerWaalsContact O-N 3.13Å; N754-F758 WeakPolarHBondContact O-CB 3.24Å; N754-F758 PolarHBondContact O-N 2.86Å
755	T	98.2	Very high	97.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-73.1	-37.7	178.3	-83.5	0	0	0	0	112.1	L741 H743 Y752 A757 F758 V759 M771	L741-T755 HydrophobicContact CD2-CG2 3.89Å; L741-T755 HydrophobicContact CG-CG2 4.07Å; H743-T755 HydrophobicContact CB-CG2 4.45Å; H743-T755 PolarHBondContact CE1-OG1 3.23Å; H743-T755 VanDerWaalsContact ND1-CB 3.25Å; H743-T755 WeakPolarHBondContact ND1-CB 3.43Å; H743-T755 PolarHBondContact ND1-OG1 2.97Å; Y752-T755 HydrophobicContact CD2-CG2 4.22Å; Y752-T755 HydrophobicContact CE2-CG2 3.74Å; Y752-T755 PolarHBondContact O-N 2.98Å; T755-A757 PolarHBondContact O-N 3.11Å; T755-F758 PolarHBondContact O-N 2.99Å; T755-V759 HydrophobicContact CG2-CG2 4.14Å; T755-V759 VanDerWaalsContact O-CB 3.3Å; T755-V759 WeakPolarHBondContact O-CB 3.03Å; T755-V759 WeakPolarHBondContact O-CG2 3.45Å; T755-V759 PolarHBondContact O-N 2.94Å; T755-M771 HydrophobicContact CG2-CE 3.56Å
756	A	97.9	Very high	97.5	Very high	41 Å²	41	43.2 Å²	43.2	34%	0.339	24%	0.241	S	C	.	.	H	α-helix	trans	-57.9	-50.6	175.1	0	0	0	0	0	112.4	Y752 Q753 F758 V759 E760	Y752-A756 HydrophobicContact CE1-CB 4.24Å; Y752-A756 PolarHBondContact O-N 2.78Å; Q753-A756 PolarHBondContact O-N 2.94Å; A756-F758 VanDerWaalsContact C-N 3.28Å; A756-F758 PolarHBondContact O-N 3.15Å; A756-V759 PolarHBondContact O-N 2.88Å; A756-E760 PolarHBondContact O-N 3.35Å
757	A	97.4	Very high	97.5	Very high	33 Å²	33	43.1 Å²	43.1	27%	0.273	24%	0.241	S	C	.	.	H	α-helix	trans	-66.3	-28.6	178.8	0	0	0	0	0	113.2	Q753 T755 A761	Q753-A757 WeakPolarHBondContact O-CB 3.31Å; Q753-A757 PolarHBondContact O-N 2.85Å; T755-A757 PolarHBondContact O-N 3.11Å; A757-A761 PolarHBondContact O-N 3.1Å
758	F	98.2	Very high	97.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-80	-35.5	176.8	-179.7	-140.3	0	0	0	112.4	T698 V727 A728 V731 F734 Y739 L741 N754 T755 A756 A761 L762	T698-F758 HydrophobicContact CG2-CB 3.72Å; T698-F758 HydrophobicContact CG2-CD1 3.76Å; T698-F758 HydrophobicContact CG2-CG 3.92Å; V727-F758 HydrophobicContact CG2-CD2 3.98Å; V727-F758 HydrophobicContact CG2-CE1 4.49Å; V727-F758 HydrophobicContact CG2-CE2 3.91Å; V727-F758 HydrophobicContact CG2-CG 4.32Å; V727-F758 HydrophobicContact CG2-CZ 4.19Å; A728-F758 HydrophobicContact CB-CD2 4.22Å; V731-F758 HydrophobicContact CG1-CD2 4.14Å; V731-F758 HydrophobicContact CG1-CE2 3.84Å; F734-F758 HydrophobicContact CD1-CZ 4.08Å; F734-F758 HydrophobicContact CE1-CE2 4.49Å; F734-F758 AromaticContact CE1-CZ 3.63Å; F734-F758 HydrophobicContact CE1-CZ 3.63Å; F734-F758 HydrophobicContact CE2-CE2 4.22Å; F734-F758 HydrophobicContact CE2-CZ 4.14Å; F734-F758 HydrophobicContact CZ-CE2 4.15Å; F734-F758 AromaticContact CZ-CZ 3.66Å; F734-F758 HydrophobicContact CZ-CZ 3.66Å; Y739-F758 AromaticContact CE1-CE1 3.75Å; Y739-F758 HydrophobicContact CE1-CE1 3.75Å; Y739-F758 HydrophobicContact CE1-CZ 4.05Å; Y739-F758 WeakPolarHBondContact OH-CE1 3.34Å; L741-F758 HydrophobicContact CD1-CD1 4.44Å; L741-F758 HydrophobicContact CD2-CD1 3.88Å; L741-F758 HydrophobicContact CD2-CE1 4.24Å; N754-F758 WeakPolarHBondContact O-CB 3.24Å; N754-F758 PolarHBondContact O-N 2.86Å; T755-F758 PolarHBondContact O-N 2.99Å; A756-F758 VanDerWaalsContact C-N 3.28Å; A756-F758 PolarHBondContact O-N 3.15Å; F758-A761 PolarHBondContact O-N 2.93Å; F758-L762 HydrophobicContact CD1-CD1 4.2Å; F758-L762 HydrophobicContact CD2-CD1 4.13Å; F758-L762 HydrophobicContact CD2-CG 4.23Å; F758-L762 HydrophobicContact CE1-CD1 4.02Å; F758-L762 HydrophobicContact CE2-CD1 3.95Å; F758-L762 HydrophobicContact CE2-CD2 4.34Å; F758-L762 HydrophobicContact CE2-CG 4Å; F758-L762 HydrophobicContact CG-CD1 4.24Å; F758-L762 HydrophobicContact CZ-CD1 3.88Å; F758-L762 HydrophobicContact CZ-CG 4.35Å; F758-L762 WeakPolarHBondContact O-CB 3.13Å; F758-L762 WeakPolarHBondContact O-CD1 3.35Å; F758-L762 VanDerWaalsContact O-CG 3.29Å; F758-L762 WeakPolarHBondContact O-CG 3.29Å; F758-L762 PolarHBondContact O-N 2.82Å
759	V	98.4	Very high	97.6	Very high	29 Å²	29	53.4 Å²	53.4	18%	0.176	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-40.4	170.1	162.5	0	0	0	0	111.5	L741 T755 A756 L762 T763 F769 M771	L741-V759 HydrophobicContact CD2-CG2 3.77Å; T755-V759 HydrophobicContact CG2-CG2 4.14Å; T755-V759 VanDerWaalsContact O-CB 3.3Å; T755-V759 WeakPolarHBondContact O-CB 3.03Å; T755-V759 WeakPolarHBondContact O-CG2 3.45Å; T755-V759 PolarHBondContact O-N 2.94Å; A756-V759 PolarHBondContact O-N 2.88Å; V759-L762 PolarHBondContact O-N 3.08Å; V759-T763 HydrophobicContact CG1-CG2 4.42Å; V759-T763 WeakPolarHBondContact O-CB 3.4Å; V759-T763 WeakPolarHBondContact O-CG2 3.3Å; V759-T763 PolarHBondContact O-N 3.14Å; V759-T763 PolarHBondContact O-OG1 3.31Å; V759-F769 HydrophobicContact CB-CZ 4.35Å; V759-F769 HydrophobicContact CG1-CZ 4.1Å; V759-F769 HydrophobicContact CG2-CE2 3.91Å; V759-F769 HydrophobicContact CG2-CZ 3.93Å; V759-M771 HydrophobicContact CG2-CE 3.83Å; V759-M771 HydrophobicContact CG2-SD 3.59Å; V759-M771 VanDerWaalsContact CG2-SD 3.59Å
760	E	98.2	Very high	97.8	Very high	135 Å²	135	57.6 Å²	57.6	63%	0.631	31%	0.305	S	S	*	.	H	α-helix	trans	-57.1	-51	171.7	179.4	177.7	-149.3	0	0	110.8	A756 L762 T763 A764	A756-E760 PolarHBondContact O-N 3.35Å; E760-L762 PolarHBondContact O-N 3.39Å; E760-T763 PolarHBondContact O-N 2.87Å; E760-T763 PolarHBondContact O-OG1 2.83Å; E760-A764 WeakPolarHBondContact O-CB 3.49Å; E760-A764 PolarHBondContact O-N 2.68Å
761	A	98	Very high	97.8	Very high	20 Å²	20	60.7 Å²	60.7	17%	0.165	32%	0.32	C	S	.	.	H	α-helix	trans	-62	-43.8	177.6	0	0	0	0	0	113.2	A728 V731 A757 F758 Q765	A728-A761 HydrophobicContact CB-CB 3.85Å; A728-A761 WeakPolarHBondContact O-CB 3.43Å; V731-A761 HydrophobicContact CG1-CB 3.86Å; V731-A761 WeakPolarHBondContact CG2-O 3.24Å; A757-A761 PolarHBondContact O-N 3.1Å; F758-A761 PolarHBondContact O-N 2.93Å; A761-Q765 WeakPolarHBondContact O-CG 3.12Å; A761-Q765 PolarHBondContact O-N 2.98Å
762	L	98.4	Very high	97.8	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.6	-48	177	-75.5	162.1	0	0	0	111.9	V731 F734 F758 V759 E760 Q765 N766 I767 F769	V731-L762 HydrophobicContact CB-CD2 3.93Å; V731-L762 HydrophobicContact CB-CG 4.4Å; V731-L762 HydrophobicContact CG1-CD2 4.4Å; V731-L762 HydrophobicContact CG1-CG 4.41Å; V731-L762 HydrophobicContact CG2-CD2 4.49Å; F734-L762 HydrophobicContact CB-CD2 3.81Å; F734-L762 HydrophobicContact CG-CD2 4.19Å; F758-L762 HydrophobicContact CD1-CD1 4.2Å; F758-L762 HydrophobicContact CD2-CD1 4.13Å; F758-L762 HydrophobicContact CD2-CG 4.23Å; F758-L762 HydrophobicContact CE1-CD1 4.02Å; F758-L762 HydrophobicContact CE2-CD1 3.95Å; F758-L762 HydrophobicContact CE2-CD2 4.34Å; F758-L762 HydrophobicContact CE2-CG 4Å; F758-L762 HydrophobicContact CG-CD1 4.24Å; F758-L762 HydrophobicContact CZ-CD1 3.88Å; F758-L762 HydrophobicContact CZ-CG 4.35Å; F758-L762 WeakPolarHBondContact O-CB 3.13Å; F758-L762 WeakPolarHBondContact O-CD1 3.35Å; F758-L762 VanDerWaalsContact O-CG 3.29Å; F758-L762 WeakPolarHBondContact O-CG 3.29Å; F758-L762 PolarHBondContact O-N 2.82Å; V759-L762 PolarHBondContact O-N 3.08Å; E760-L762 PolarHBondContact O-N 3.39Å; L762-Q765 PolarHBondContact O-N 2.59Å; L762-N766 PolarHBondContact O-N 2.95Å; L762-I767 HydrophobicContact CB-CB 4.44Å; L762-I767 HydrophobicContact CD2-CB 3.88Å; L762-I767 HydrophobicContact CD2-CG1 4.4Å; L762-I767 HydrophobicContact CD2-CG2 3.64Å; L762-I767 WeakPolarHBondContact O-CB 3.26Å; L762-I767 PolarHBondContact O-N 3.46Å; L762-F769 HydrophobicContact CB-CD1 3.89Å; L762-F769 HydrophobicContact CB-CE1 3.58Å; L762-F769 HydrophobicContact CB-CZ 4.32Å; L762-F769 HydrophobicContact CD1-CD1 3.93Å; L762-F769 HydrophobicContact CD1-CD2 4.36Å; L762-F769 HydrophobicContact CD1-CE1 4.02Å; L762-F769 HydrophobicContact CD1-CE2 4.41Å; L762-F769 HydrophobicContact CD1-CG 4.14Å; L762-F769 HydrophobicContact CD1-CZ 4.27Å; L762-F769 HydrophobicContact CD2-CD1 4.46Å; L762-F769 HydrophobicContact CG-CD1 4.32Å; L762-F769 HydrophobicContact CG-CE1 4.36Å
763	T	98	Very high	97.9	Very high	84 Å²	84	61.5 Å²	61.5	52%	0.515	33%	0.33	S	S	.	.	H	α-helix	trans	-72.7	-37.2	-177.9	53.7	0	0	0	0	112.4	V759 E760 Q765 N766 F769	V759-T763 HydrophobicContact CG1-CG2 4.42Å; V759-T763 WeakPolarHBondContact O-CB 3.4Å; V759-T763 WeakPolarHBondContact O-CG2 3.3Å; V759-T763 PolarHBondContact O-N 3.14Å; V759-T763 PolarHBondContact O-OG1 3.31Å; E760-T763 PolarHBondContact O-N 2.87Å; E760-T763 PolarHBondContact O-OG1 2.83Å; T763-Q765 PolarHBondContact O-N 2.89Å; T763-N766 PolarHBondContact O-N 2.88Å; T763-F769 HydrophobicContact CG2-CE1 4.01Å; T763-F769 HydrophobicContact CG2-CZ 4.26Å
764	A	97.8	Very high	97.9	Very high	75 Å²	75	57.5 Å²	57.5	62%	0.62	31%	0.311	S	S	*	.	H	α-helix	trans	-61.5	-24.8	173.2	0	0	0	0	0	113.6	E760	E760-A764 WeakPolarHBondContact O-CB 3.49Å; E760-A764 PolarHBondContact O-N 2.68Å
765	Q	97	Very high	97.8	Very high	121 Å²	121	61.2 Å²	61.2	57%	0.565	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	11.8	174.1	-64	-62.4	-45.8	0	0	113.3	V731 A761 L762 T763 I767	V731-Q765 HydrophobicContact CG2-CB 3.73Å; V731-Q765 HydrophobicContact CG2-CG 3.67Å; A761-Q765 WeakPolarHBondContact O-CG 3.12Å; A761-Q765 PolarHBondContact O-N 2.98Å; L762-Q765 PolarHBondContact O-N 2.59Å; T763-Q765 PolarHBondContact O-N 2.89Å; Q765-I767 HydrophobicContact CB-CG1 3.94Å; Q765-I767 PolarHBondContact O-N 3.25Å
766	N	97	Very high	97.6	Very high	139 Å²	139	62.9 Å²	62.9	74%	0.743	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	31.7	-178.8	-167	26.7	0	0	0	113.9	L762 T763	L762-N766 PolarHBondContact O-N 2.95Å; T763-N766 PolarHBondContact O-N 2.88Å
767	I	97.6	Very high	97.5	Very high	27 Å²	27	61.3 Å²	61.3	14%	0.138	33%	0.328	C	S	.	.			trans	-80.8	130.3	177.8	-56.4	-60.7	0	0	0	109.5	V731 F734 L762 Q765 F769	V731-I767 HydrophobicContact CG2-CG1 4.09Å; F734-I767 HydrophobicContact CB-CG2 3.96Å; L762-I767 HydrophobicContact CB-CB 4.44Å; L762-I767 HydrophobicContact CD2-CB 3.88Å; L762-I767 HydrophobicContact CD2-CG1 4.4Å; L762-I767 HydrophobicContact CD2-CG2 3.64Å; L762-I767 WeakPolarHBondContact O-CB 3.26Å; L762-I767 PolarHBondContact O-N 3.46Å; Q765-I767 HydrophobicContact CB-CG1 3.94Å; Q765-I767 PolarHBondContact O-N 3.25Å; I767-F769 WeakPolarHBondContact O-CD1 3.37Å
768	K	96.3	Very high	97.4	Very high	180 Å²	180	62 Å²	62	78%	0.783	33%	0.325	S	S	*	.			trans	-86.4	130.6	175.5	-65.9	-177.9	179.7	179.6	0	110.6
769	F	97.5	Very high	97.2	Very high	49 Å²	49	63.6 Å²	63.6	22%	0.215	33%	0.333	C	S	.	.			trans	-148.1	166.3	174.5	61.7	-77.9	0	0	0	109.3	Y739 L741 V759 L762 T763 I767 M771	Y739-F769 HydrophobicContact CD1-CB 4.03Å; L741-F769 HydrophobicContact CB-CD2 4.46Å; V759-F769 HydrophobicContact CB-CZ 4.35Å; V759-F769 HydrophobicContact CG1-CZ 4.1Å; V759-F769 HydrophobicContact CG2-CE2 3.91Å; V759-F769 HydrophobicContact CG2-CZ 3.93Å; L762-F769 HydrophobicContact CB-CD1 3.89Å; L762-F769 HydrophobicContact CB-CE1 3.58Å; L762-F769 HydrophobicContact CB-CZ 4.32Å; L762-F769 HydrophobicContact CD1-CD1 3.93Å; L762-F769 HydrophobicContact CD1-CD2 4.36Å; L762-F769 HydrophobicContact CD1-CE1 4.02Å; L762-F769 HydrophobicContact CD1-CE2 4.41Å; L762-F769 HydrophobicContact CD1-CG 4.14Å; L762-F769 HydrophobicContact CD1-CZ 4.27Å; L762-F769 HydrophobicContact CD2-CD1 4.46Å; L762-F769 HydrophobicContact CG-CD1 4.32Å; L762-F769 HydrophobicContact CG-CE1 4.36Å; T763-F769 HydrophobicContact CG2-CE1 4.01Å; T763-F769 HydrophobicContact CG2-CZ 4.26Å; I767-F769 WeakPolarHBondContact O-CD1 3.37Å; F769-M771 HydrophobicContact CD2-CB 4.27Å; F769-M771 HydrophobicContact CE2-CB 3.96Å; F769-M771 HydrophobicContact CE2-CG 4.43Å; F769-M771 HydrophobicContact CE2-SD 4.04Å
770	Q	98.2	Very high	97	Very high	101 Å²	101	64.8 Å²	64.8	47%	0.472	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	149.8	169.9	-62.2	-174.8	15.1	0	0	109.8	Y739 L740 L741	Y739-Q770 PolarHBondContact O-N 2.81Å; L740-Q770 WeakPolarHBondContact CA-O 3.25Å; L740-Q770 HydrophobicContact CD1-CB 3.81Å; L741-Q770 PolarHBondContact N-O 2.85Å
771	M	98	Very high	96.8	Very high	65 Å²	65	58.3 Å²	58.3	32%	0.32	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.9	-175.7	-170.9	173.6	175.7	0	0	111.8	L741 Y752 T755 V759 F769 V773	L741-M771 CarbonylContact O-C 3.58Å; L741-M771 VanDerWaalsContact O-CA 3.25Å; L741-M771 WeakPolarHBondContact O-CA 3.33Å; Y752-M771 HydrophobicContact CE2-CE 4.08Å; Y752-M771 WeakPolarHBondContact OH-CE 3.27Å; T755-M771 HydrophobicContact CG2-CE 3.56Å; V759-M771 HydrophobicContact CG2-CE 3.83Å; V759-M771 HydrophobicContact CG2-SD 3.59Å; V759-M771 VanDerWaalsContact CG2-SD 3.59Å; F769-M771 HydrophobicContact CD2-CB 4.27Å; F769-M771 HydrophobicContact CE2-CB 3.96Å; F769-M771 HydrophobicContact CE2-CG 4.43Å; F769-M771 HydrophobicContact CE2-SD 4.04Å; M771-V773 HydrophobicContact CE-CG2 3.48Å; M771-V773 VanDerWaalsContact CE-CG2 3.48Å; M771-V773 HydrophobicContact CG-CG2 4.47Å
772	M	98.6	Very high	96.5	Very high	54 Å²	54	60.8 Å²	60.8	27%	0.266	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	130.8	169.2	-179.8	56.1	64.5	0	0	110.6	L741 I742 H743 Y774 L791	L741-M772 PolarHBondContact O-N 2.85Å; I742-M772 WeakPolarHBondContact CA-O 3.47Å; I742-M772 HydrophobicContact CG1-CB 4.46Å; H743-M772 PolarHBondContact N-O 2.91Å; M772-Y774 HydrophobicContact CB-CE2 4.48Å; M772-Y774 HydrophobicContact CG-CD2 4.12Å; M772-Y774 HydrophobicContact CG-CE1 4.03Å; M772-Y774 HydrophobicContact CG-CE2 3.53Å; M772-Y774 VanDerWaalsContact CG-CZ 3.47Å; M772-Y774 HydrophobicContact SD-CE1 4.38Å; M772-L791 HydrophobicContact CB-CD2 3.47Å; M772-L791 VanDerWaalsContact CB-CD2 3.47Å; M772-L791 HydrophobicContact CE-CD2 4.26Å; M772-L791 HydrophobicContact CG-CD2 3.68Å
773	V	98.4	Very high	96.2	Very high	44 Å²	44	66.4 Å²	66.4	27%	0.267	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.4	174.8	-175.3	0	0	0	0	108.8	H743 Y752 M771 T775	H743-V773 CarbonylContact O-C 3.55Å; H743-V773 WeakPolarHBondContact O-CA 3.38Å; Y752-V773 HydrophobicContact CE2-CG1 4.06Å; Y752-V773 HydrophobicContact CE2-CG2 3.79Å; M771-V773 HydrophobicContact CE-CG2 3.48Å; M771-V773 VanDerWaalsContact CE-CG2 3.48Å; M771-V773 HydrophobicContact CG-CG2 4.47Å; V773-T775 PolarHBondContact O-N 2.97Å
774	Y	98.3	Very high	96.1	Very high	11 Å²	11	68.3 Å²	68.3	4%	0.043	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	100.2	175.4	-66.4	-74.9	0	0	0	109.9	I742 H743 G744 S745 M772 N776 E777 I781 R784 H787 L788	I742-Y774 HydrophobicContact CG2-CD2 4.06Å; I742-Y774 HydrophobicContact CG2-CE2 3.69Å; H743-Y774 PolarHBondContact O-N 3.09Å; G744-Y774 WeakPolarHBondContact CA-O 3.45Å; S745-Y774 PolarHBondContact N-O 3.43Å; M772-Y774 HydrophobicContact CB-CE2 4.48Å; M772-Y774 HydrophobicContact CG-CD2 4.12Å; M772-Y774 HydrophobicContact CG-CE1 4.03Å; M772-Y774 HydrophobicContact CG-CE2 3.53Å; M772-Y774 VanDerWaalsContact CG-CZ 3.47Å; M772-Y774 HydrophobicContact SD-CE1 4.38Å; Y774-N776 PolarHBondContact O-N 3.13Å; Y774-E777 PolarHBondContact O-N 3.36Å; Y774-I781 HydrophobicContact CD2-CD1 4.15Å; Y774-I781 HydrophobicContact CD2-CG2 3.57Å; Y774-I781 HydrophobicContact CE2-CG2 4.1Å; Y774-I781 HydrophobicContact CG-CG2 3.8Å; Y774-R784 HydrophobicContact CD1-CB 3.55Å; Y774-R784 HydrophobicContact CD1-CG 3.72Å; Y774-R784 HydrophobicContact CE1-CB 3.82Å; Y774-R784 HydrophobicContact CE1-CG 4.38Å; Y774-R784 HydrophobicContact CG-CB 4.16Å; Y774-R784 HydrophobicContact CG-CG 4.34Å; Y774-H787 HydrophobicContact CE1-CB 4.35Å; Y774-H787 PolarHBondContact OH-ND1 3.17Å; Y774-H787 VanDerWaalsContact OH-ND1 3.16Å; Y774-L788 HydrophobicContact CE2-CB 4.37Å; Y774-L788 HydrophobicContact CE2-CD1 4Å; Y774-L788 WeakPolarHBondContact OH-CA 3.42Å; Y774-L788 PolarHBondContact OH-N 3.2Å
775	T	95.9	Very high	96	Very high	78 Å²	78	68.1 Å²	68.1	48%	0.479	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	132.3	178.4	-47.1	0	0	0	0	111.3	Y273 S745 V773 E777	Y273-T775 HydrophobicContact CD2-CG2 3.6Å; Y273-T775 HydrophobicContact CE2-CG2 4.4Å; Y273-T775 HydrophobicContact CG-CG2 3.96Å; S745-T775 WeakPolarHBondContact OG-CA 3.26Å; V773-T775 PolarHBondContact O-N 2.97Å; T775-E777 PolarHBondContact O-N 3Å; T775-E777 VanDerWaalsContact O-N 3.16Å
776	N	95.3	Very high	96	Very high	35 Å²	35	64.9 Å²	64.9	19%	0.187	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	1.3	-178.5	-57	-25.4	0	0	0	116.8	Y272 Y273 S745 Y774	Y272-N776 HydrophobicContact CD2-CB 4.18Å; Y272-N776 HydrophobicContact CE2-CB 3.8Å; Y273-N776 PolarHBondContact N-OD1 2.76Å; Y273-N776 PolarHBondContact O-ND2 3.03Å; S745-N776 PolarHBondContact OG-N 2.82Å; Y774-N776 PolarHBondContact O-N 3.13Å
777	E	96	Very high	96.1	Very high	7 Å²	7	63 Å²	63	3%	0.033	31%	0.311	C	S	.	.			trans	-78.6	138.9	173	-68.7	-64	112	0	0	111.3	G744 F746 Y774 T775 I781 S782 N783 R784	G744-E777 CarbonylContact C-O 3.49Å; G744-E777 VanDerWaalsContact CA-O 3.3Å; G744-E777 WeakPolarHBondContact CA-O 3.47Å; F746-E777 CarbonylContact C-O 3.59Å; F746-E777 PolarHBondContact N-O 3.32Å; F746-E777 VanDerWaalsContact N-O 3.11Å; Y774-E777 PolarHBondContact O-N 3.36Å; T775-E777 PolarHBondContact O-N 3Å; T775-E777 VanDerWaalsContact O-N 3.16Å; E777-I781 HydrophobicContact CB-CG1 4.46Å; E777-I781 HydrophobicContact CB-CG2 4.34Å; E777-I781 HydrophobicContact CG-CG2 4.2Å; E777-I781 WeakPolarHBondContact OE2-CA 3.42Å; E777-S782 PolarHBondContact OE2-N 2.77Å; E777-S782 VanDerWaalsContact OE2-N 3.08Å; E777-N783 WeakPolarHBondContact OE1-CB 3.45Å; E777-N783 PolarHBondContact OE1-ND2 2.82Å; E777-N783 PolarHBondContact OE2-N 2.95Å; E777-N783 PolarHBondContact OE2-ND2 3.38Å; E777-R784 HydrophobicContact CG-CB 4.36Å; E777-R784 HydrophobicContact CG-CG 3.69Å
778	K	94.1	Very high	96.1	Very high	47 Å²	47	61.7 Å²	61.7	20%	0.204	30%	0.304	C	S	.	.			trans	-77.8	-177.5	168.5	-57.8	-169.1	-169.2	-178.3	0	111.8	Q128 I129 F746 S780 I781	Q128-K778 PolarHBondContact O-NZ 3.24Å; I129-K778 PolarHBondContact O-NZ 2.92Å; F746-K778 HydrophobicContact CD1-CG 4.32Å; F746-K778 WeakPolarHBondContact O-CA 3.39Å; K778-S780 PolarHBondContact O-N 3.13Å; K778-I781 PolarHBondContact O-N 2.68Å
779	H	95.1	Very high	96.2	Very high	35 Å²	35	53.1 Å²	53.1	16%	0.162	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-27.5	-179.9	-161.2	60.5	0	0	0	116.6	W669 S670 D747 N749 V750	W669-H779 AromaticContact CD1-NE2 3.7Å; W669-H779 VanDerWaalsContact CE2-O 3.3Å; W669-H779 WeakPolarHBondContact CZ2-O 3.21Å; W669-H779 AromaticContact NE1-CE1 3.95Å; W669-H779 AromaticContact NE1-NE2 3.75Å; W669-H779 PolarHBondContact NE1-O 3.47Å; S670-H779 VanDerWaalsContact CB-NE2 3.3Å; S670-H779 WeakPolarHBondContact CB-NE2 3.48Å; S670-H779 PolarHBondContact OG-NE2 3.05Å; D747-H779 VanDerWaalsContact CG-ND1 3.31Å; D747-H779 VanDerWaalsContact OD1-CB 3.31Å; D747-H779 WeakPolarHBondContact OD1-CB 3.34Å; D747-H779 IonicContact OD1-CG 3.65Å; D747-H779 IonicContact OD1-ND1 3.66Å; D747-H779 PolarHBondContact OD1-ND1 2.98Å; D747-H779 VanDerWaalsContact OD1-ND1 3.09Å; D747-H779 VanDerWaalsContact OD2-CA 3.3Å; D747-H779 WeakPolarHBondContact OD2-CA 3.16Å; D747-H779 IonicContact OD2-CE1 3.4Å; D747-H779 IonicContact OD2-CG 3.33Å; D747-H779 IonicContact OD2-ND1 2.66Å; D747-H779 PolarHBondContact OD2-ND1 3.23Å; N749-H779 HydrophobicContact CB-CB 4.3Å; V750-H779 WeakPolarHBondContact CG2-CE1 3.3Å
780	S	92.5	Very high	96.2	Very high	53 Å²	53	53.1 Å²	53.1	37%	0.371	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-20.7	-179.1	61.9	0	0	0	0	115.1	W669 K778 S782	W669-S780 WeakPolarHBondContact CH2-O 3.37Å; W669-S780 WeakPolarHBondContact CZ2-O 3.37Å; K778-S780 PolarHBondContact O-N 3.13Å; S780-S782 WeakPolarHBondContact CB-OG 3.11Å; S780-S782 PolarHBondContact O-N 3.46Å; S780-S782 PolarHBondContact OG-OG 3.47Å
781	I	95.8	Very high	96.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.256	C	S	.	.			trans	49.8	43.2	-173.9	-47.3	172.2	0	0	0	111.3	W669 V694 I742 Y774 E777 K778 R784 R785 L788	W669-I781 HydrophobicContact CH2-CB 4.05Å; W669-I781 HydrophobicContact CH2-CD1 4.03Å; W669-I781 HydrophobicContact CH2-CG1 4.2Å; W669-I781 HydrophobicContact CZ2-CB 4.14Å; W669-I781 HydrophobicContact CZ2-CD1 3.82Å; W669-I781 HydrophobicContact CZ2-CG1 3.87Å; V694-I781 HydrophobicContact CG1-CD1 3.83Å; I742-I781 HydrophobicContact CG2-CD1 4.23Å; Y774-I781 HydrophobicContact CD2-CD1 4.15Å; Y774-I781 HydrophobicContact CD2-CG2 3.57Å; Y774-I781 HydrophobicContact CE2-CG2 4.1Å; Y774-I781 HydrophobicContact CG-CG2 3.8Å; E777-I781 HydrophobicContact CB-CG1 4.46Å; E777-I781 HydrophobicContact CB-CG2 4.34Å; E777-I781 HydrophobicContact CG-CG2 4.2Å; E777-I781 WeakPolarHBondContact OE2-CA 3.42Å; K778-I781 PolarHBondContact O-N 2.68Å; I781-R784 HydrophobicContact CG2-CB 3.98Å; I781-R785 PolarHBondContact O-N 2.85Å; I781-L788 HydrophobicContact CB-CD2 4.07Å; I781-L788 HydrophobicContact CD1-CD2 4.36Å; I781-L788 HydrophobicContact CG2-CD2 4.03Å
782	S	91.3	Very high	96.3	Very high	71 Å²	71	46.7 Å²	46.7	50%	0.497	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-63.8	-45.8	-171.3	-61.4	0	0	0	0	113.4	E777 S780 R784	E777-S782 PolarHBondContact OE2-N 2.77Å; E777-S782 VanDerWaalsContact OE2-N 3.08Å; S780-S782 WeakPolarHBondContact CB-OG 3.11Å; S780-S782 PolarHBondContact O-N 3.46Å; S780-S782 PolarHBondContact OG-OG 3.47Å; S782-R784 PolarHBondContact O-N 3.5Å
783	N	92.7	Very high	96.3	Very high	118 Å²	118	44.3 Å²	44.3	63%	0.631	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-82.3	-2	-171.7	-41.3	-72.2	0	0	0	112.7	E777	E777-N783 WeakPolarHBondContact OE1-CB 3.45Å; E777-N783 PolarHBondContact OE1-ND2 2.82Å; E777-N783 PolarHBondContact OE2-N 2.95Å; E777-N783 PolarHBondContact OE2-ND2 3.38Å
784	R	95.9	Very high	96.3	Very high	124 Å²	124	46.9 Å²	46.9	47%	0.468	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-122.6	13	179.9	-56.4	-65.1	174.6	-101.9	-1.9	112.8	Y774 E777 I781 S782 M786 H787 L788	Y774-R784 HydrophobicContact CD1-CB 3.55Å; Y774-R784 HydrophobicContact CD1-CG 3.72Å; Y774-R784 HydrophobicContact CE1-CB 3.82Å; Y774-R784 HydrophobicContact CE1-CG 4.38Å; Y774-R784 HydrophobicContact CG-CB 4.16Å; Y774-R784 HydrophobicContact CG-CG 4.34Å; E777-R784 HydrophobicContact CG-CB 4.36Å; E777-R784 HydrophobicContact CG-CG 3.69Å; I781-R784 HydrophobicContact CG2-CB 3.98Å; S782-R784 PolarHBondContact O-N 3.5Å; R784-M786 PolarHBondContact O-N 2.94Å; R784-M786 VanDerWaalsContact O-N 3.12Å; R784-H787 PolarHBondContact O-N 3.34Å; R784-L788 PolarHBondContact O-N 3.11Å
785	R	95.2	Very high	96.3	Very high	71 Å²	71	46.9 Å²	46.9	27%	0.268	24%	0.242	S	C	.	.	H	α-helix	trans	-54.4	-33.9	-174.5	-159.1	75.1	-148.3	-160.3	-1.6	114.7	V54 I781 N789	V54-R785 HydrophobicContact CG1-CB 4.04Å; V54-R785 HydrophobicContact CG1-CG 4.5Å; V54-R785 HydrophobicContact CG2-CB 4.32Å; V54-R785 HydrophobicContact CG2-CG 3.99Å; I781-R785 PolarHBondContact O-N 2.85Å; R785-N789 PolarHBondContact NE-OD1 3.43Å; R785-N789 WeakPolarHBondContact O-CB 3.43Å; R785-N789 VanDerWaalsContact O-CG 3.25Å; R785-N789 PolarHBondContact O-N 2.99Å; R785-N789 PolarHBondContact O-OD1 3.47Å
786	M	97	Very high	96.4	Very high	54 Å²	54	43.2 Å²	43.2	27%	0.266	22%	0.219	S	C	.	.	H	α-helix	trans	-59.8	-64.6	174.6	-178.5	56.3	76.9	0	0	110.7	I50 E51 V54 R784 L788 N789 T790	I50-M786 HydrophobicContact CB-SD 4.36Å; I50-M786 HydrophobicContact CG2-CE 4.43Å; I50-M786 HydrophobicContact CG2-SD 3.58Å; I50-M786 VanDerWaalsContact CG2-SD 3.58Å; E51-M786 VanDerWaalsContact CD-CE 3.43Å; E51-M786 HydrophobicContact CG-CE 3.98Å; E51-M786 WeakPolarHBondContact OE1-CE 3.35Å; V54-M786 HydrophobicContact CB-CE 4.03Å; V54-M786 HydrophobicContact CG1-CB 4.04Å; V54-M786 HydrophobicContact CG1-CE 4.17Å; R784-M786 PolarHBondContact O-N 2.94Å; R784-M786 VanDerWaalsContact O-N 3.12Å; M786-L788 PolarHBondContact O-N 2.94Å; M786-N789 PolarHBondContact O-N 3.26Å; M786-N789 VanDerWaalsContact O-N 3.15Å; M786-T790 PolarHBondContact O-N 2.69Å; M786-T790 PolarHBondContact O-OG1 3.31Å; M786-T790 VanDerWaalsContact O-OG1 3.05Å
787	H	98.3	Very high	96.5	Very high	98 Å²	98	43.9 Å²	43.9	45%	0.454	23%	0.225	S	C	.	.	H	α-helix	trans	-55.6	-37.9	178.3	-174.7	-31	0	0	0	111.9	Y774 R784 L791	Y774-H787 HydrophobicContact CE1-CB 4.35Å; Y774-H787 PolarHBondContact OH-ND1 3.17Å; Y774-H787 VanDerWaalsContact OH-ND1 3.16Å; R784-H787 PolarHBondContact O-N 3.34Å; H787-L791 WeakPolarHBondContact O-CB 3.39Å; H787-L791 PolarHBondContact O-N 3.36Å
788	L	98.5	Very high	96.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-52.7	177.5	175.3	60.1	0	0	0	112	W669 I742 Y774 I781 R784 M786 T790 L791 M792	W669-L788 HydrophobicContact CH2-CD2 3.36Å; W669-L788 HydrophobicContact CZ3-CD2 3.54Å; I742-L788 HydrophobicContact CD1-CD1 3.76Å; I742-L788 HydrophobicContact CG2-CD1 3.77Å; Y774-L788 HydrophobicContact CE2-CB 4.37Å; Y774-L788 HydrophobicContact CE2-CD1 4Å; Y774-L788 WeakPolarHBondContact OH-CA 3.42Å; Y774-L788 PolarHBondContact OH-N 3.2Å; I781-L788 HydrophobicContact CB-CD2 4.07Å; I781-L788 HydrophobicContact CD1-CD2 4.36Å; I781-L788 HydrophobicContact CG2-CD2 4.03Å; R784-L788 PolarHBondContact O-N 3.11Å; M786-L788 PolarHBondContact O-N 2.94Å; L788-T790 PolarHBondContact O-N 3.13Å; L788-L791 PolarHBondContact O-N 2.95Å; L788-M792 HydrophobicContact CD1-CG 4.3Å; L788-M792 HydrophobicContact CD1-SD 3.82Å; L788-M792 HydrophobicContact CG-SD 4.05Å; L788-M792 VanDerWaalsContact O-CG 3.28Å; L788-M792 WeakPolarHBondContact O-CG 3.19Å; L788-M792 PolarHBondContact O-N 2.93Å; L788-M792 VanDerWaalsContact O-N 3.07Å
789	N	98.1	Very high	96.5	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-42.3	179.4	-70.4	3.5	0	0	0	110.7	I50 V54 F587 R785 M786 M792 D793	I50-N789 HydrophobicContact CD1-CB 4.37Å; I50-N789 HydrophobicContact CG2-CB 3.57Å; V54-N789 VanDerWaalsContact CG2-ND2 3.33Å; V54-N789 WeakPolarHBondContact CG2-ND2 3.45Å; F587-N789 HydrophobicContact CD2-CB 3.77Å; F587-N789 HydrophobicContact CE2-CB 4.1Å; F587-N789 WeakPolarHBondContact CE2-O 3.41Å; R785-N789 PolarHBondContact NE-OD1 3.43Å; R785-N789 WeakPolarHBondContact O-CB 3.43Å; R785-N789 VanDerWaalsContact O-CG 3.25Å; R785-N789 PolarHBondContact O-N 2.99Å; R785-N789 PolarHBondContact O-OD1 3.47Å; M786-N789 PolarHBondContact O-N 3.26Å; M786-N789 VanDerWaalsContact O-N 3.15Å; N789-M792 PolarHBondContact O-N 3.4Å; N789-D793 WeakPolarHBondContact O-CB 3.42Å; N789-D793 PolarHBondContact O-N 2.92Å
790	T	98.2	Very high	96.4	Very high	48 Å²	48	42.5 Å²	42.5	29%	0.294	23%	0.23	S	C	.	.	H	α-helix	trans	-62.1	-45.8	176.5	-50.8	0	0	0	0	112.2	M786 L788 M792 D793 D794	M786-T790 PolarHBondContact O-N 2.69Å; M786-T790 PolarHBondContact O-OG1 3.31Å; M786-T790 VanDerWaalsContact O-OG1 3.05Å; L788-T790 PolarHBondContact O-N 3.13Å; T790-M792 VanDerWaalsContact C-N 3.32Å; T790-M792 PolarHBondContact O-N 2.78Å; T790-D793 WeakPolarHBondContact O-CB 3.39Å; T790-D793 PolarHBondContact O-N 2.99Å; T790-D794 WeakPolarHBondContact O-CB 3.45Å; T790-D794 PolarHBondContact O-N 2.83Å
791	L	98.6	Very high	96.3	Very high	32 Å²	32	45.8 Å²	45.8	17%	0.168	26%	0.261	C	S	.	.	H	α-helix	trans	-60.7	-41	178	173	65.7	0	0	0	112.1	L740 I742 M772 H787 L788 F795	L740-L791 HydrophobicContact CD2-CG 4.29Å; I742-L791 HydrophobicContact CD1-CD2 4.15Å; M772-L791 HydrophobicContact CB-CD2 3.47Å; M772-L791 VanDerWaalsContact CB-CD2 3.47Å; M772-L791 HydrophobicContact CE-CD2 4.26Å; M772-L791 HydrophobicContact CG-CD2 3.68Å; H787-L791 WeakPolarHBondContact O-CB 3.39Å; H787-L791 PolarHBondContact O-N 3.36Å; L788-L791 PolarHBondContact O-N 2.95Å; L791-F795 VanDerWaalsContact O-CB 3.3Å; L791-F795 WeakPolarHBondContact O-CB 3.35Å; L791-F795 PolarHBondContact O-N 2.54Å; L791-F795 VanDerWaalsContact O-N 3.1Å
792	M	98.7	Very high	96.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67.8	-37.3	177.1	-69.8	173.3	56.3	0	0	111.9	F587 W667 I692 V694 I742 L788 N789 T790 L796	F587-M792 HydrophobicContact CD1-CE 3.77Å; F587-M792 HydrophobicContact CE1-CB 3.85Å; F587-M792 HydrophobicContact CE1-CE 3.72Å; F587-M792 HydrophobicContact CE2-CB 4.43Å; F587-M792 HydrophobicContact CZ-CB 3.68Å; W667-M792 HydrophobicContact CD2-CE 3.63Å; W667-M792 HydrophobicContact CE3-CE 3.4Å; W667-M792 HydrophobicContact CG-CE 4.33Å; W667-M792 HydrophobicContact CH2-CE 3.86Å; W667-M792 HydrophobicContact CZ2-CE 4.1Å; W667-M792 HydrophobicContact CZ3-CE 3.51Å; I692-M792 HydrophobicContact CD1-CB 4.08Å; I692-M792 HydrophobicContact CD1-CE 4.42Å; I692-M792 HydrophobicContact CD1-CG 4.22Å; I692-M792 HydrophobicContact CG2-CG 4.26Å; V694-M792 HydrophobicContact CG2-SD 4.27Å; I742-M792 HydrophobicContact CD1-CG 3.87Å; I742-M792 HydrophobicContact CD1-SD 4.44Å; L788-M792 HydrophobicContact CD1-CG 4.3Å; L788-M792 HydrophobicContact CD1-SD 3.82Å; L788-M792 HydrophobicContact CG-SD 4.05Å; L788-M792 VanDerWaalsContact O-CG 3.28Å; L788-M792 WeakPolarHBondContact O-CG 3.19Å; L788-M792 PolarHBondContact O-N 2.93Å; L788-M792 VanDerWaalsContact O-N 3.07Å; N789-M792 PolarHBondContact O-N 3.4Å; T790-M792 VanDerWaalsContact C-N 3.32Å; T790-M792 PolarHBondContact O-N 2.78Å; M792-L796 VanDerWaalsContact O-CG 3.3Å; M792-L796 WeakPolarHBondContact O-CG 3.49Å; M792-L796 PolarHBondContact O-N 2.82Å; M792-L796 VanDerWaalsContact O-N 3.08Å
793	D	98.4	Very high	96.5	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-68.1	-51	176.2	178.1	53.3	0	0	0	112.1	I50 F587 Y590 R595 N789 T790 F795 L796 V797	I50-D793 HydrophobicContact CD1-CB 4.25Å; F587-D793 HydrophobicContact CE2-CB 4.01Å; F587-D793 HydrophobicContact CZ-CB 4.02Å; Y590-D793 HydrophobicContact CE1-CB 4.2Å; Y590-D793 WeakPolarHBondContact CE1-OD1 3.4Å; Y590-D793 PolarHBondContact OH-OD1 3.21Å; Y590-D793 PolarHBondContact OH-OD2 3.14Å; Y590-D793 VanDerWaalsContact OH-OD2 3.06Å; R595-D793 WeakPolarHBondContact CG-OD1 3.33Å; R595-D793 IonicContact CZ-OD1 3.74Å; R595-D793 IonicContact CZ-OD2 2.63Å; R595-D793 IonicContact NE-OD1 3.83Å; R595-D793 PolarHBondContact NE-OD1 2.82Å; R595-D793 IonicContact NE-OD2 3.32Å; R595-D793 PolarHBondContact NE-OD2 3.08Å; R595-D793 IonicContact NH2-OD1 2.67Å; R595-D793 IonicContact NH2-OD2 2.76Å; R595-D793 PolarHBondContact NH2-OD2 3.25Å; N789-D793 WeakPolarHBondContact O-CB 3.42Å; N789-D793 PolarHBondContact O-N 2.92Å; T790-D793 WeakPolarHBondContact O-CB 3.39Å; T790-D793 PolarHBondContact O-N 2.99Å; D793-F795 PolarHBondContact O-N 3.43Å; D793-L796 PolarHBondContact O-N 3.24Å; D793-V797 WeakPolarHBondContact O-CG2 3.31Å; D793-V797 PolarHBondContact O-N 2.98Å
794	D	98.3	Very high	96.8	Very high	97 Å²	97	42.9 Å²	42.9	52%	0.519	24%	0.242	S	C	.	.	H	α-helix	trans	-55.6	-39	175	-76.3	-32	0	0	0	111.8	T790 G798	T790-D794 WeakPolarHBondContact O-CB 3.45Å; T790-D794 PolarHBondContact O-N 2.83Å; D794-G798 PolarHBondContact O-N 3.16Å
795	F	98.6	Very high	96.8	Very high	11 Å²	11	38.2 Å²	38.2	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-68.5	-37.9	175.8	179.1	-94.5	0	0	0	113.1	C690 I692 K738 L740 L791 D793 G798 C799	C690-F795 HydrophobicContact CB-CE1 3.78Å; C690-F795 HydrophobicContact CB-CZ 4.03Å; I692-F795 HydrophobicContact CD1-CD1 3.77Å; I692-F795 HydrophobicContact CD1-CE1 4.28Å; I692-F795 HydrophobicContact CG1-CD1 3.54Å; I692-F795 HydrophobicContact CG1-CE1 3.56Å; K738-F795 HydrophobicContact CB-CE2 4.08Å; K738-F795 HydrophobicContact CB-CZ 3.89Å; K738-F795 WeakPolarHBondContact O-CZ 3.06Å; L740-F795 HydrophobicContact CB-CD1 4.14Å; L740-F795 HydrophobicContact CB-CD2 3.84Å; L740-F795 HydrophobicContact CB-CE1 3.88Å; L740-F795 HydrophobicContact CB-CE2 3.58Å; L740-F795 HydrophobicContact CB-CG 4.09Å; L740-F795 HydrophobicContact CB-CZ 3.58Å; L740-F795 HydrophobicContact CD2-CB 3.71Å; L740-F795 HydrophobicContact CD2-CD1 4.03Å; L740-F795 HydrophobicContact CD2-CD2 3.91Å; L740-F795 HydrophobicContact CD2-CG 3.61Å; L740-F795 HydrophobicContact CG-CD2 4.43Å; L740-F795 HydrophobicContact CG-CG 4.49Å; L791-F795 VanDerWaalsContact O-CB 3.3Å; L791-F795 WeakPolarHBondContact O-CB 3.35Å; L791-F795 PolarHBondContact O-N 2.54Å; L791-F795 VanDerWaalsContact O-N 3.1Å; D793-F795 PolarHBondContact O-N 3.43Å; F795-G798 CarbonylContact O-C 3.54Å; F795-C799 WeakPolarHBondContact O-CB 3.34Å; F795-C799 PolarHBondContact O-N 2.6Å
796	L	98.1	Very high	96.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-71.1	-42.2	175.4	-72.5	169.6	0	0	0	111.6	V567 F587 L591 Y597 A665 I692 M792 D793 C799 F800	V567-L796 HydrophobicContact CG2-CD2 4.49Å; F587-L796 HydrophobicContact CE1-CD1 4.17Å; F587-L796 HydrophobicContact CZ-CD1 4.39Å; L591-L796 HydrophobicContact CD1-CD1 3.86Å; L591-L796 HydrophobicContact CD2-CD1 3.8Å; Y597-L796 HydrophobicContact CE2-CB 4.18Å; A665-L796 HydrophobicContact CB-CD2 3.46Å; A665-L796 VanDerWaalsContact CB-CD2 3.46Å; I692-L796 HydrophobicContact CD1-CD1 4.41Å; I692-L796 HydrophobicContact CD1-CD2 4.31Å; I692-L796 HydrophobicContact CD1-CG 4.1Å; M792-L796 VanDerWaalsContact O-CG 3.3Å; M792-L796 WeakPolarHBondContact O-CG 3.49Å; M792-L796 PolarHBondContact O-N 2.82Å; M792-L796 VanDerWaalsContact O-N 3.08Å; D793-L796 PolarHBondContact O-N 3.24Å; L796-C799 WeakPolarHBondContact O-CA 3.29Å; L796-C799 WeakPolarHBondContact O-CB 3.46Å; L796-C799 PolarHBondContact O-N 3.22Å; L796-C799 VanDerWaalsContact O-N 3.08Å; L796-F800 HydrophobicContact CD2-CE2 4.32Å; L796-F800 HydrophobicContact CD2-CZ 4.27Å; L796-F800 WeakPolarHBondContact O-CB 3.35Å; L796-F800 WeakPolarHBondContact O-CD2 3.36Å; L796-F800 WeakPolarHBondContact O-CG 3.24Å; L796-F800 PolarHBondContact O-N 3.46Å
797	V	97	Very high	96.9	Very high	50 Å²	50	34.9 Å²	34.9	30%	0.303	22%	0.224	S	C	.	.	H	α-helix	trans	-59.8	-50.2	172.6	172.9	0	0	0	0	110.3	D793 C799 F800 A801	D793-V797 WeakPolarHBondContact O-CG2 3.31Å; D793-V797 PolarHBondContact O-N 2.98Å; V797-C799 PolarHBondContact O-N 2.7Å; V797-F800 PolarHBondContact O-N 3.12Å; V797-A801 PolarHBondContact O-N 2.94Å
798	G	96.3	Very high	96.8	Very high	41 Å²	41	30.4 Å²	30.4	42%	0.423	21%	0.207	S	C	.	.	H	α-helix	trans	-68.2	-11.3	174.6	0	0	0	0	0	114.4	K738 D794 F795	K738-G798 PolarHBondContact NZ-O 2.84Å; D794-G798 PolarHBondContact O-N 3.16Å; F795-G798 CarbonylContact O-C 3.54Å
799	C	95	Very high	96.7	Very high	8 Å²	8	32.8 Å²	32.8	5%	0.054	22%	0.223	C	C	.	.	H	α-helix	trans	-85.4	-41.8	171	171.9	0	0	0	0	112.1	C690 K738 F795 L796 V797	C690-C799 HydrophobicContact CB-CB 3.78Å; C690-C799 WeakPolarHBondContact CB-SG 3.33Å; C690-C799 WeakPolarHBondContact SG-CB 3.37Å; C690-C799 CovalentContact SG-SG 2.02Å; C690-C799 PolarHBondContact SG-SG 2.86Å; K738-C799 HydrophobicContact CD-CB 4.25Å; K738-C799 PolarHBondContact NZ-O 2.84Å; F795-C799 WeakPolarHBondContact O-CB 3.34Å; F795-C799 PolarHBondContact O-N 2.6Å; L796-C799 WeakPolarHBondContact O-CA 3.29Å; L796-C799 WeakPolarHBondContact O-CB 3.46Å; L796-C799 PolarHBondContact O-N 3.22Å; L796-C799 VanDerWaalsContact O-N 3.08Å; V797-C799 PolarHBondContact O-N 2.7Å
800	F	93.1	Very high	96.6	Very high	10 Å²	10	35.4 Å²	35.4	4%	0.044	24%	0.241	C	C	.	.	H	α-helix	trans	-96.7	-1.4	-173	-60	-26.1	0	0	0	114.9	P565 V567 Y597 K663 A665 L796 V797	P565-F800 HydrophobicContact CB-CD2 3.48Å; P565-F800 VanDerWaalsContact CB-CD2 3.48Å; P565-F800 HydrophobicContact CB-CE2 3.55Å; P565-F800 HydrophobicContact CB-CG 4.06Å; P565-F800 HydrophobicContact CB-CZ 4.19Å; P565-F800 HydrophobicContact CG-CD2 4.09Å; P565-F800 HydrophobicContact CG-CG 4.48Å; V567-F800 HydrophobicContact CG2-CE2 4.09Å; V567-F800 HydrophobicContact CG2-CZ 4.19Å; Y597-F800 HydrophobicContact CD2-CD2 4.34Å; Y597-F800 AromaticContact CD2-CE2 3.94Å; Y597-F800 HydrophobicContact CD2-CE2 3.94Å; Y597-F800 HydrophobicContact CE1-CD2 4.05Å; Y597-F800 AromaticContact CE2-CD2 3.78Å; Y597-F800 HydrophobicContact CE2-CD2 3.78Å; Y597-F800 AromaticContact CE2-CE2 3.77Å; Y597-F800 HydrophobicContact CE2-CE2 3.77Å; Y597-F800 HydrophobicContact CG-CE2 4.41Å; Y597-F800 AromaticContact CZ-CD2 3.61Å; K663-F800 HydrophobicContact CB-CB 4.19Å; K663-F800 HydrophobicContact CB-CD1 3.72Å; K663-F800 HydrophobicContact CB-CE1 4.22Å; K663-F800 HydrophobicContact CB-CG 3.98Å; K663-F800 HydrophobicContact CD-CB 4.27Å; K663-F800 WeakPolarHBondContact CD-O 3.09Å; K663-F800 WeakPolarHBondContact CE-O 3.46Å; K663-F800 HydrophobicContact CG-CB 4.19Å; K663-F800 HydrophobicContact CG-CD1 4.36Å; K663-F800 HydrophobicContact CG-CG 4.49Å; K663-F800 PolarHBondContact NZ-O 3.35Å; K663-F800 WeakPolarHBondContact O-CE1 3.15Å; A665-F800 HydrophobicContact CB-CE1 3.89Å; A665-F800 HydrophobicContact CB-CZ 3.5Å; L796-F800 HydrophobicContact CD2-CE2 4.32Å; L796-F800 HydrophobicContact CD2-CZ 4.27Å; L796-F800 WeakPolarHBondContact O-CB 3.35Å; L796-F800 WeakPolarHBondContact O-CD2 3.36Å; L796-F800 WeakPolarHBondContact O-CG 3.24Å; L796-F800 PolarHBondContact O-N 3.46Å; V797-F800 PolarHBondContact O-N 3.12Å
801	A	88.4	Confident	96.4	Very high	123 Å²	123	34.3 Å²	34.3	100%	1.017	24%	0.236	S	C	*	.			trans	-68.5	0	161.1	0	0	0	0	0	110.5	V797	V797-A801 PolarHBondContact O-N 2.94Å

Retrieved 801 of 801 residues in 896.5 ms (Link to these results)

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