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Deubiquitinating protein VCPIP1

Deubiquitinating enzyme involved in DNA repair and reassembly of the Golgi apparatus and the endoplasmic reticulum following mitosis. Necessary for VCP-mediated reassembly of Golgi stacks after mitosis. Plays a role in VCP-mediated formation of transitional endoplasmic reticulum (tER). Mediates dissociation of the ternary complex containing STX5A, NSFL1C and VCP. Also involved in DNA repair following phosphorylation by ATM or ATR: acts by catalyzing deubiquitination of SPRTN, thereby promoting SPRTN recruitment to chromatin and subsequent proteolytic cleavage of covalent DNA-protein cross-links (DPCs). Hydrolyzes 'Lys-11'- and 'Lys-48'-linked polyubiquitin chains.

AlphaFold DB , UniProt , Accession A0A087XI47, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,158 aa.

						>A0A087XI47_POEFO|A0A087XI47
MSLLQSSKKKDKRILCGTCPDPKCQARLFFPAHGSISIECTECGQRHEQSGLLNVEEVTDPDVVLHNLLRNALLGVTGAPKKGTELVKVMGLSNYHCKLLSPVLTRYGMDKQTGKAKLLKDMNQGDIFDCSLLGDRAFLIEPDHVTTMGYGKDRSGSLIYLHDTLEEIKKANGNRECLIPVHVDGDGHCLVHAVSRALVGRELFWHALRENLKQNFKQNLDCYKNLFQDFIDAAEWEDIINECDPLFIPPEGVPLGLRNIHIFGLANVLHRPIVLLDSMSGMRSSGDYSATFLPGLVPEEQCKGKDGKPNKPICIAWSSSGRNHYVPLVGIKNTVLPKLPPRLLPKAWGVPQELIRKYIRLEPDGSCVIGGDRSLQDKYLMRLVNAMEEVFMEKHSIHPSLVADVHQYVYRRTGVIGVQPEEVTEAAKKSVVENRLHRCLICGALSELHIPSEWLVPGGKLYNLAKSTHGQLRPDKNYSFPLNNVVCSYDPHRDFLVPDYKLSSLNTCTWCHGTSVRHIRGNGSVVYLDGDRTNSRSQGGKCGCGFKHYWDGKEYDNLPEAFPITLEWGGRVVRETVYWFQYETDPTLNSNVYDVAMKLVTKHFPGEFGSEILVQKVVNTILHHTAKKNPDEYNPVSIDGAHAHRLGDGTEAPPPPDPQLPTKIILTGQKAKTLHKEELTMSRAERSLQQSISEQAFVSQKRRSDKLKPDPKGQGRTSSPSGSPETSSSSAPATPTKTSSPSSSSNKEKKIRVTTSDGRQAMLTLPALTTFAELRRSIAKQFDVPPPQQCIRYGFPPKELLPPRNGEENEPVALQHGDRVTLEILRGTEDRGPGAPITRATSSHSALHSAKSDDAVTGGRTSSREIQESIDLEMSSLCLLATLMGEDVWSYAKKLPHLFQQGGVFYNIVKKDMGLMDGKHCTLPHLTGKTFVYNAAEERLELCVDAAGHFPVGPDVEELVREAVLQLRSEAASRGSREGSPSHGVLRLGSGGVVRKKEQLQSVTAFQGKGHSLGSAGGSSPPEHRPITRQHSSGVDLSASVSRGAPDLSDIPEDATRELVRMAPGFVASRDGRAPDPGLMEQQRRKLQEMVSSIQASMERHLKEQQGAAGAVGGASQERTAGTKPGTAAATGGKPEEPEEMESQDAGQGNASEPMDHS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	31.4	Very low	39.3	Very low	247 Å²	247	152.5 Å²	152.5	100%	1.217	79%	0.79	S	S	*	*				0	137.4	0	-65.4	-50.3	-165.2	0	0	108.8
2	S	35.4	Very low	41.2	Very low	108 Å²	108	155.5 Å²	155.5	76%	0.755	79%	0.792	S	S	*	*			trans	-125	177.7	176.5	-169	0	0	0	0	109.3
3	L	33.8	Very low	43.6	Very low	156 Å²	156	152.2 Å²	152.2	82%	0.817	76%	0.764	S	S	*	*			trans	63.7	99.5	170	-59.9	167.4	0	0	0	116.4
4	L	31.2	Very low	45.8	Very low	169 Å²	169	142.2 Å²	142.2	89%	0.885	71%	0.714	S	S	*	*			trans	-168.8	52.5	135	-106.1	168.1	0	0	0	111.6	S6	L4-S6 PolarHBondContact O-N 2.66Å; L4-S6 VanDerWaalsContact O-N 3.1Å
5	Q	31.7	Very low	48.1	Very low	203 Å²	203	134.7 Å²	134.7	95%	0.949	68%	0.677	S	S	*	*			trans	-78	89.4	164.6	-78.9	-169.6	-8.7	0	0	109.3
6	S	30.8	Very low	50.1	Low	83 Å²	83	126.4 Å²	126.4	58%	0.58	64%	0.636	S	S	*	*			trans	-66.9	146.3	168.4	55.2	0	0	0	0	110.8	L4 K8	L4-S6 PolarHBondContact O-N 2.66Å; L4-S6 VanDerWaalsContact O-N 3.1Å; S6-K8 VanDerWaalsContact C-N 3.34Å; S6-K8 PolarHBondContact O-N 3.35Å
7	S	42.3	Very low	52	Low	127 Å²	127	119 Å²	119	89%	0.888	60%	0.598	S	S	*	*			trans	-67.1	90.4	175.8	-174.5	0	0	0	0	110.2	K9	S7-K9 PolarHBondContact O-N 2.65Å
8	K	39.6	Very low	53.9	Low	183 Å²	183	113.3 Å²	113.3	80%	0.796	57%	0.571	S	S	*	*			trans	-69.5	122.1	177	-71.6	-172.1	177.1	-176.3	0	109.4	S6 K10	S6-K8 VanDerWaalsContact C-N 3.34Å; S6-K8 PolarHBondContact O-N 3.35Å; K8-K10 PolarHBondContact O-N 3.24Å
9	K	44.2	Very low	55.6	Low	203 Å²	203	107.4 Å²	107.4	88%	0.883	54%	0.541	S	S	*	.			trans	-48.6	125.2	162.2	-69.3	178	178.3	175.8	0	107.9	S7 D11	S7-K9 PolarHBondContact O-N 2.65Å; K9-D11 PolarHBondContact O-N 3.05Å
10	K	52	Low	57.2	Low	141 Å²	141	104.2 Å²	104.2	61%	0.613	53%	0.528	S	S	*	.			trans	-51.5	114.8	178.5	-79.9	-179.1	177.6	177.6	0	109.4	K8 K12	K8-K10 PolarHBondContact O-N 3.24Å; K10-K12 PolarHBondContact O-N 3.22Å; K10-K12 VanDerWaalsContact O-N 3.13Å
11	D	59.7	Low	58.6	Low	57 Å²	57	99.4 Å²	99.4	31%	0.305	50%	0.504	S	S	.	.			trans	-68.9	108.3	178.5	-170.5	-11.7	0	0	0	109.2	K9 R13 A32 H33	K9-D11 PolarHBondContact O-N 3.05Å; D11-R13 VanDerWaalsContact C-N 3.3Å; D11-R13 WeakPolarHBondContact OD1-CB 3.35Å; D11-R13 VanDerWaalsContact OD1-CG 3.23Å; D11-R13 WeakPolarHBondContact OD1-CG 3.39Å; D11-R13 IonicContact OD1-CZ 3.98Å; D11-R13 PolarHBondContact OD1-N 3.37Å; D11-R13 IonicContact OD1-NE 2.75Å; D11-R13 PolarHBondContact OD1-NE 3.5Å; D11-R13 IonicContact OD2-CZ 3.9Å; D11-R13 IonicContact OD2-NE 3.2Å; D11-R13 PolarHBondContact OD2-NE 3.33Å; D11-R13 IonicContact OD2-NH2 3.98Å; D11-R13 PolarHBondContact OD2-NH2 3.19Å; D11-A32 HydrophobicContact CB-CB 4.49Å; D11-H33 HydrophobicContact CB-CB 4.44Å; D11-H33 PolarHBondContact O-CD2 3.36Å; D11-H33 VanDerWaalsContact O-CD2 3.24Å
12	K	62.7	Low	61.1	Low	189 Å²	189	91.6 Å²	91.6	82%	0.822	47%	0.471	S	S	*	.			trans	-83.3	-4.6	-173.2	-63.3	-170.1	178.9	-175.9	0	113.5	K10	K10-K12 PolarHBondContact O-N 3.22Å; K10-K12 VanDerWaalsContact O-N 3.13Å
13	R	71.5	Confident	63.5	Low	112 Å²	112	92.7 Å²	92.7	42%	0.423	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-64.2	142.5	-176.7	-61.9	173.6	-50.5	135.9	-2.8	109.8	D11 A32 E57	D11-R13 VanDerWaalsContact C-N 3.3Å; D11-R13 WeakPolarHBondContact OD1-CB 3.35Å; D11-R13 VanDerWaalsContact OD1-CG 3.23Å; D11-R13 WeakPolarHBondContact OD1-CG 3.39Å; D11-R13 IonicContact OD1-CZ 3.98Å; D11-R13 PolarHBondContact OD1-N 3.37Å; D11-R13 IonicContact OD1-NE 2.75Å; D11-R13 PolarHBondContact OD1-NE 3.5Å; D11-R13 IonicContact OD2-CZ 3.9Å; D11-R13 IonicContact OD2-NE 3.2Å; D11-R13 PolarHBondContact OD2-NE 3.33Å; D11-R13 IonicContact OD2-NH2 3.98Å; D11-R13 PolarHBondContact OD2-NH2 3.19Å; R13-A32 HydrophobicContact CB-CB 4.26Å; R13-A32 VanDerWaalsContact O-CB 3.31Å; R13-A32 WeakPolarHBondContact O-CB 3.28Å; R13-A32 PolarHBondContact O-N 3.32Å; R13-E57 HydrophobicContact CB-CG 4.4Å; R13-E57 VanDerWaalsContact CD-OE1 3.25Å; R13-E57 WeakPolarHBondContact CD-OE1 3.47Å; R13-E57 WeakPolarHBondContact CD-OE2 3.41Å; R13-E57 WeakPolarHBondContact CG-OE1 3.17Å; R13-E57 IonicContact CZ-OE2 3.1Å; R13-E57 IonicContact NE-OE2 3.6Å; R13-E57 IonicContact NH1-OE2 3.19Å; R13-E57 PolarHBondContact NH1-OE2 2.89Å
14	I	75	Confident	66	Low	13 Å²	13	86.5 Å²	86.5	7%	0.067	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.1	172.2	-69	-158.7	0	0	0	108.3	V58 V64 L68	I14-V58 HydrophobicContact CG2-CB 4.46Å; I14-V58 HydrophobicContact CG2-CG2 4.24Å; I14-V58 PolarHBondContact O-N 3.45Å; I14-V64 HydrophobicContact CB-CG2 4.27Å; I14-V64 HydrophobicContact CD1-CG1 4.19Å; I14-V64 HydrophobicContact CG1-CG1 4.43Å; I14-L68 HydrophobicContact CD1-CD1 3.76Å; I14-L68 HydrophobicContact CD1-CD2 3.99Å; I14-L68 HydrophobicContact CD1-CG 3.52Å
15	L	79.9	Confident	68.4	Low	30 Å²	30	82.7 Å²	82.7	16%	0.157	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	149.1	172.7	-54.1	-179.7	0	0	0	108.3	F30 A32 V55 E56 E57	L15-F30 HydrophobicContact CB-CD2 3.96Å; L15-F30 HydrophobicContact CB-CE1 4.37Å; L15-F30 HydrophobicContact CB-CE2 3.56Å; L15-F30 HydrophobicContact CB-CZ 3.78Å; L15-F30 HydrophobicContact CD1-CE2 3.86Å; L15-F30 HydrophobicContact CG-CE2 4.27Å; L15-F30 PolarHBondContact N-O 3Å; L15-F30 PolarHBondContact O-N 3.09Å; L15-F30 VanDerWaalsContact O-O 3.1Å; L15-A32 HydrophobicContact CD1-CB 4.15Å; L15-A32 HydrophobicContact CG-CB 4.1Å; L15-V55 HydrophobicContact CB-CG1 4.23Å; L15-V55 HydrophobicContact CD1-CG1 4.06Å; L15-E56 CarbonylContact C-O 3.5Å; L15-E56 VanDerWaalsContact CA-O 3.31Å; L15-E56 WeakPolarHBondContact CA-O 3.3Å; L15-E57 HydrophobicContact CD2-CB 4.11Å; L15-E57 HydrophobicContact CD2-CG 4.5Å
16	C	80.8	Confident	70.6	Confident	2 Å²	2	73 Å²	73	1%	0.014	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	159.2	160.3	71.4	0	0	0	0	109.5	R27 L28 F29 V55 E56 V58	C16-R27 HydrophobicContact CB-CG 4.41Å; C16-R27 PolarHBondContact SG-NE 3.12Å; C16-R27 VanDerWaalsContact SG-NE 3.39Å; C16-R27 PolarHBondContact SG-NH2 3.23Å; C16-L28 CarbonylContact C-O 3.47Å; C16-L28 WeakPolarHBondContact CA-O 3.24Å; C16-L28 WeakPolarHBondContact CB-O 3.34Å; C16-F29 HydrophobicContact CB-CD1 3.7Å; C16-F29 HydrophobicContact CB-CE1 3.69Å; C16-F29 HydrophobicContact CB-CG 4.37Å; C16-F29 HydrophobicContact CB-CZ 4.36Å; C16-V55 CarbonylContact O-C 3.34Å; C16-V55 VanDerWaalsContact O-CA 3.28Å; C16-V55 WeakPolarHBondContact O-CA 3.37Å; C16-E56 PolarHBondContact N-O 3.02Å; C16-E56 PolarHBondContact O-N 3.19Å; C16-V58 HydrophobicContact CB-CG2 3.65Å
17	G	82.4	Confident	72.7	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	166.1	177.9	0	0	0	0	0	110.9	R27 L28	G17-R27 CarbonylContact O-C 3.41Å; G17-R27 WeakPolarHBondContact O-CA 3.28Å; G17-L28 PolarHBondContact N-O 3.43Å; G17-L28 PolarHBondContact O-N 3.01Å
18	T	85.1	Confident	74.3	Confident	17 Å²	17	68.9 Å²	68.9	10%	0.104	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.6	-173.7	-66.9	0	0	0	0	109.6	Q25 L53	T18-Q25 HydrophobicContact CG2-CB 4.22Å; T18-Q25 WeakPolarHBondContact CG2-O 3.38Å; T18-L53 WeakPolarHBondContact CB-O 3.34Å; T18-L53 HydrophobicContact CG2-CB 4.3Å; T18-L53 PolarHBondContact N-O 3.42Å; T18-L53 PolarHBondContact O-N 3.15Å
19	C	86.2	Confident	76	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	29%	0.289	C	S	.	.			trans	-57.1	128.9	175	176.3	0	0	0	0	110.4	D21 Q25 A26 C43 H47	C19-D21 VanDerWaalsContact C-N 3.28Å; C19-D21 PolarHBondContact O-N 3.2Å; C19-Q25 WeakPolarHBondContact O-CA 3.5Å; C19-A26 HydrophobicContact CB-CB 4.27Å; C19-A26 PolarHBondContact N-O 3.33Å; C19-C43 VanDerWaalsContact SG-SG 3.68Å; C19-H47 PolarHBondContact SG-NE2 3.26Å
20	P	87.6	Confident	77.4	Confident	44 Å²	44	53.3 Å²	53.3	29%	0.286	25%	0.249	S	C	.	.	S	Bend	trans	-71.3	-16.6	-176.8	28.5	-37.7	0	0	0	114.4	P22 H47 G51 L53	P20-P22 VanDerWaalsContact O-CD 3.23Å; P20-P22 WeakPolarHBondContact O-CD 3.47Å; P20-H47 WeakPolarHBondContact CG-ND1 3.16Å; P20-G51 WeakPolarHBondContact CG-O 3.4Å; P20-L53 HydrophobicContact CB-CD1 4.45Å; P20-L53 HydrophobicContact CB-CG 4.31Å
21	D	86.7	Confident	78.5	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.021	24%	0.238	C	C	.	.			trans	-63.3	118.1	178.2	-179.3	-66.6	0	0	0	110.6	C19 K23 C24 Q25 Q45 M90	C19-D21 VanDerWaalsContact C-N 3.28Å; C19-D21 PolarHBondContact O-N 3.2Å; D21-K23 PolarHBondContact O-N 3.43Å; D21-K23 WeakPolarHBondContact OD1-CA 3.35Å; D21-K23 WeakPolarHBondContact OD1-CB 3.33Å; D21-K23 PolarHBondContact OD1-N 3.32Å; D21-C24 HydrophobicContact CB-CB 3.9Å; D21-C24 PolarHBondContact O-N 2.94Å; D21-C24 PolarHBondContact OD1-N 3.22Å; D21-C24 VanDerWaalsContact OD1-N 3.12Å; D21-Q25 PolarHBondContact O-N 3.49Å; D21-Q45 PolarHBondContact OD2-NE2 3.07Å; D21-M90 PolarHBondContact OD2-N 3.31Å
22	P	84.7	Confident	79.2	Confident	82 Å²	82	47.7 Å²	47.7	53%	0.532	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-9.8	-174.5	-24.4	35	0	0	0	116	P20 M90	P20-P22 VanDerWaalsContact O-CD 3.23Å; P20-P22 WeakPolarHBondContact O-CD 3.47Å; P22-M90 HydrophobicContact CG-CE 4.4Å; P22-M90 HydrophobicContact CG-SD 4.25Å
23	K	85.9	Confident	79.4	Confident	132 Å²	132	43.6 Å²	43.6	57%	0.574	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-4.3	175.6	-73.5	-66.9	-165	171.8	0	113	D21	D21-K23 PolarHBondContact O-N 3.43Å; D21-K23 WeakPolarHBondContact OD1-CA 3.35Å; D21-K23 WeakPolarHBondContact OD1-CB 3.33Å; D21-K23 PolarHBondContact OD1-N 3.32Å
24	C	85.3	Confident	78.9	Confident	25 Å²	25	39.3 Å²	39.3	17%	0.169	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-64.9	175.2	-173	0	0	0	0	110.9	D21 A26 C43	D21-C24 HydrophobicContact CB-CB 3.9Å; D21-C24 PolarHBondContact O-N 2.94Å; D21-C24 PolarHBondContact OD1-N 3.22Å; D21-C24 VanDerWaalsContact OD1-N 3.12Å; C24-A26 PolarHBondContact O-N 3.22Å; C24-C43 HydrophobicContact CB-CB 3.9Å; C24-C43 VanDerWaalsContact SG-CB 3.58Å; C24-C43 VanDerWaalsContact SG-SG 3.65Å
25	Q	82.3	Confident	78.1	Confident	89 Å²	89	42.9 Å²	42.9	42%	0.416	23%	0.233	S	C	.	.			trans	48.9	11.9	-173.6	-63.4	-160	-27	0	0	116.9	T18 C19 D21 R536	T18-Q25 HydrophobicContact CG2-CB 4.22Å; T18-Q25 WeakPolarHBondContact CG2-O 3.38Å; C19-Q25 WeakPolarHBondContact O-CA 3.5Å; D21-Q25 PolarHBondContact O-N 3.49Å; Q25-R536 PolarHBondContact O-NH1 3.17Å; Q25-R536 PolarHBondContact O-NH2 2.67Å
26	A	77.8	Confident	77.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.255	C	S	.	.			trans	-44.7	137.1	-179.9	0	0	0	0	0	113.8	C19 C24 L28 E42	C19-A26 HydrophobicContact CB-CB 4.27Å; C19-A26 PolarHBondContact N-O 3.33Å; C24-A26 PolarHBondContact O-N 3.22Å; A26-L28 HydrophobicContact CB-CD2 4.17Å; A26-E42 HydrophobicContact CB-CB 3.95Å; A26-E42 HydrophobicContact CB-CG 3.96Å; A26-E42 WeakPolarHBondContact CB-OE1 3.42Å
27	R	74.5	Confident	77.5	Confident	114 Å²	114	49.2 Å²	49.2	43%	0.43	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	114.2	174.8	-166.2	-179.5	-169.9	-178.4	8.6	108.5	C16 G17 F29 E56	C16-R27 HydrophobicContact CB-CG 4.41Å; C16-R27 PolarHBondContact SG-NE 3.12Å; C16-R27 VanDerWaalsContact SG-NE 3.39Å; C16-R27 PolarHBondContact SG-NH2 3.23Å; G17-R27 CarbonylContact O-C 3.41Å; G17-R27 WeakPolarHBondContact O-CA 3.28Å; R27-F29 HydrophobicContact CG-CE2 4.19Å; R27-F29 HydrophobicContact CG-CZ 4.24Å; R27-E56 IonicContact NH2-OE2 2.65Å
28	L	76.2	Confident	77.4	Confident	9 Å²	9	50.1 Å²	50.1	5%	0.047	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	148.1	-177.2	-53	-179.6	0	0	0	109.6	C16 G17 A26 I38 C40 L52	C16-L28 CarbonylContact C-O 3.47Å; C16-L28 WeakPolarHBondContact CA-O 3.24Å; C16-L28 WeakPolarHBondContact CB-O 3.34Å; G17-L28 PolarHBondContact N-O 3.43Å; G17-L28 PolarHBondContact O-N 3.01Å; A26-L28 HydrophobicContact CB-CD2 4.17Å; L28-I38 HydrophobicContact CB-CG2 4.48Å; L28-I38 HydrophobicContact CD1-CG2 4.04Å; L28-C40 HydrophobicContact CD1-CB 3.92Å; L28-C40 HydrophobicContact CD2-CB 4.28Å; L28-L52 HydrophobicContact CD1-CD2 4.05Å
29	F	75.1	Confident	77.3	Confident	49 Å²	49	51.8 Å²	51.8	22%	0.215	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.6	-178.7	-66.5	-93.1	0	0	0	109.4	C16 R27 V58 V63 N67	C16-F29 HydrophobicContact CB-CD1 3.7Å; C16-F29 HydrophobicContact CB-CE1 3.69Å; C16-F29 HydrophobicContact CB-CG 4.37Å; C16-F29 HydrophobicContact CB-CZ 4.36Å; R27-F29 HydrophobicContact CG-CE2 4.19Å; R27-F29 HydrophobicContact CG-CZ 4.24Å; F29-V58 HydrophobicContact CD1-CG2 3.98Å; F29-V58 HydrophobicContact CE1-CG2 4.01Å; F29-V63 HydrophobicContact CE1-CG1 3.73Å; F29-V63 HydrophobicContact CZ-CG1 4.16Å; F29-N67 HydrophobicContact CB-CB 3.95Å; F29-N67 HydrophobicContact CD1-CB 4.47Å; F29-N67 HydrophobicContact CG-CB 4.1Å
30	F	74.2	Confident	77.2	Confident	10 Å²	10	51.9 Å²	51.9	4%	0.044	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	145.7	-169.9	53.3	-84.6	0	0	0	112.3	L15 I38 Q49 L52 V55	L15-F30 HydrophobicContact CB-CD2 3.96Å; L15-F30 HydrophobicContact CB-CE1 4.37Å; L15-F30 HydrophobicContact CB-CE2 3.56Å; L15-F30 HydrophobicContact CB-CZ 3.78Å; L15-F30 HydrophobicContact CD1-CE2 3.86Å; L15-F30 HydrophobicContact CG-CE2 4.27Å; L15-F30 PolarHBondContact N-O 3Å; L15-F30 PolarHBondContact O-N 3.09Å; L15-F30 VanDerWaalsContact O-O 3.1Å; F30-I38 HydrophobicContact CB-CD1 3.76Å; F30-I38 HydrophobicContact CB-CG1 4.13Å; F30-I38 HydrophobicContact CD1-CD1 3.58Å; F30-I38 HydrophobicContact CD2-CD1 3.45Å; F30-I38 VanDerWaalsContact CD2-CD1 3.45Å; F30-I38 HydrophobicContact CE1-CD1 3.95Å; F30-I38 HydrophobicContact CE2-CD1 3.79Å; F30-I38 HydrophobicContact CG-CD1 3.31Å; F30-I38 HydrophobicContact CG-CG1 4.22Å; F30-I38 HydrophobicContact CZ-CD1 4.04Å; F30-Q49 HydrophobicContact CD2-CG 4.08Å; F30-Q49 HydrophobicContact CE2-CB 4.37Å; F30-Q49 HydrophobicContact CE2-CG 3.84Å; F30-L52 HydrophobicContact CD1-CD1 4.16Å; F30-L52 HydrophobicContact CE1-CD1 3.44Å; F30-L52 VanDerWaalsContact CE1-CD1 3.44Å; F30-L52 HydrophobicContact CZ-CD1 3.72Å; F30-V55 HydrophobicContact CZ-CG1 4.04Å; F30-V55 HydrophobicContact CZ-CG2 4.46Å
31	P	75.6	Confident	76.6	Confident	59 Å²	59	53.5 Å²	53.5	38%	0.383	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	143.3	177.5	28.6	-32	0	0	0	111.7	H33 G34	P31-H33 VanDerWaalsContact C-N 3.28Å; P31-H33 PolarHBondContact O-N 2.84Å; P31-G34 WeakPolarHBondContact O-CA 3.48Å; P31-G34 PolarHBondContact O-N 2.86Å
32	A	74.6	Confident	76.2	Confident	21 Å²	21	58.1 Å²	58.1	17%	0.174	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-28.4	-176.4	0	0	0	0	0	114.1	D11 R13 L15 G34	D11-A32 HydrophobicContact CB-CB 4.49Å; R13-A32 HydrophobicContact CB-CB 4.26Å; R13-A32 VanDerWaalsContact O-CB 3.31Å; R13-A32 WeakPolarHBondContact O-CB 3.28Å; R13-A32 PolarHBondContact O-N 3.32Å; L15-A32 HydrophobicContact CD1-CB 4.15Å; L15-A32 HydrophobicContact CG-CB 4.1Å; A32-G34 VanDerWaalsContact C-N 3.35Å
33	H	67.2	Low	76.2	Confident	103 Å²	103	54.4 Å²	54.4	48%	0.477	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	8.6	171.6	88.7	60.6	0	0	0	113.7	D11 P31	D11-H33 HydrophobicContact CB-CB 4.44Å; D11-H33 PolarHBondContact O-CD2 3.36Å; D11-H33 VanDerWaalsContact O-CD2 3.24Å; P31-H33 VanDerWaalsContact C-N 3.28Å; P31-H33 PolarHBondContact O-N 2.84Å
34	G	60.8	Low	76.2	Confident	22 Å²	22	48.2 Å²	48.2	23%	0.227	26%	0.26	C	S	.	.	S	Bend	trans	-68	-176.9	-169.3	0	0	0	0	0	115.5	P31 A32 I36 Q49	P31-G34 WeakPolarHBondContact O-CA 3.48Å; P31-G34 PolarHBondContact O-N 2.86Å; A32-G34 VanDerWaalsContact C-N 3.35Å; G34-I36 PolarHBondContact O-N 3.09Å; G34-Q49 PolarHBondContact O-NE2 2.9Å
35	S	56.7	Low	76.3	Confident	88 Å²	88	47.3 Å²	47.3	62%	0.615	25%	0.254	S	S	*	.			trans	-55.3	131.8	171.3	52	0	0	0	0	110.4	S37 Q49	S35-S37 WeakPolarHBondContact CB-O 3.41Å; S35-S37 PolarHBondContact O-N 2.99Å; S35-S37 VanDerWaalsContact O-N 3.15Å; S35-S37 PolarHBondContact OG-O 3.45Å; S35-Q49 PolarHBondContact O-NE2 3.28Å
36	I	67.4	Low	76.5	Confident	124 Å²	124	48.4 Å²	48.4	64%	0.636	25%	0.254	S	S	*	.	S	Bend	trans	-56.5	-34	-178.3	-60.7	169.8	0	0	0	110.7	G34 E48 Q49	G34-I36 PolarHBondContact O-N 3.09Å; I36-E48 HydrophobicContact CG2-CG 4.42Å; I36-E48 CarbonylContact O-C 3.59Å; I36-E48 VanDerWaalsContact O-CA 3.28Å; I36-E48 WeakPolarHBondContact O-CA 3.23Å; I36-Q49 PolarHBondContact O-N 2.67Å
37	S	80.4	Confident	76.9	Confident	42 Å²	42	49.4 Å²	49.4	29%	0.294	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	137.9	172.7	-172.7	0	0	0	0	112.6	S35 H47	S35-S37 WeakPolarHBondContact CB-O 3.41Å; S35-S37 PolarHBondContact O-N 2.99Å; S35-S37 VanDerWaalsContact O-N 3.15Å; S35-S37 PolarHBondContact OG-O 3.45Å; S37-H47 CarbonylContact C-O 3.21Å; S37-H47 WeakPolarHBondContact CA-O 3.49Å; S37-H47 PolarHBondContact OG-O 3.11Å
38	I	81.9	Confident	77.4	Confident	18 Å²	18	49.4 Å²	49.4	9%	0.092	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.5	-179.1	-65.1	154.9	0	0	0	108.8	L28 F30 R46 H47 Q49 L52	L28-I38 HydrophobicContact CB-CG2 4.48Å; L28-I38 HydrophobicContact CD1-CG2 4.04Å; F30-I38 HydrophobicContact CB-CD1 3.76Å; F30-I38 HydrophobicContact CB-CG1 4.13Å; F30-I38 HydrophobicContact CD1-CD1 3.58Å; F30-I38 HydrophobicContact CD2-CD1 3.45Å; F30-I38 VanDerWaalsContact CD2-CD1 3.45Å; F30-I38 HydrophobicContact CE1-CD1 3.95Å; F30-I38 HydrophobicContact CE2-CD1 3.79Å; F30-I38 HydrophobicContact CG-CD1 3.31Å; F30-I38 HydrophobicContact CG-CG1 4.22Å; F30-I38 HydrophobicContact CZ-CD1 4.04Å; I38-R46 WeakPolarHBondContact O-CA 3.42Å; I38-H47 PolarHBondContact N-O 3.09Å; I38-H47 PolarHBondContact O-N 3.06Å; I38-Q49 HydrophobicContact CD1-CG 3.54Å; I38-Q49 HydrophobicContact CG1-CG 4.44Å; I38-L52 HydrophobicContact CD1-CD1 3.71Å
39	E	83.4	Confident	77.7	Confident	53 Å²	53	51 Å²	51	25%	0.248	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	123.5	177.3	-167.2	169.1	132.4	0	0	110.3	T41 R46	E39-T41 PolarHBondContact O-N 3.23Å; E39-R46 HydrophobicContact CB-CG 3.99Å; E39-R46 HydrophobicContact CG-CG 3.99Å; E39-R46 IonicContact OE2-CZ 2.92Å; E39-R46 IonicContact OE2-NE 3.3Å; E39-R46 PolarHBondContact OE2-NE 3.21Å; E39-R46 IonicContact OE2-NH2 3.09Å; E39-R46 PolarHBondContact OE2-NH2 3.1Å
40	C	82.5	Confident	78	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.007	30%	0.295	C	S	.	.			trans	-73.9	117.5	176.7	-180	0	0	0	0	110.1	L28 E42 C43 G44 Q45	L28-C40 HydrophobicContact CD1-CB 3.92Å; L28-C40 HydrophobicContact CD2-CB 4.28Å; C40-E42 PolarHBondContact O-N 3.29Å; C40-C43 VanDerWaalsContact CB-SG 3.55Å; C40-C43 PolarHBondContact SG-SG 3.5Å; C40-G44 WeakPolarHBondContact O-CA 3.29Å; C40-G44 PolarHBondContact O-N 2.97Å; C40-Q45 PolarHBondContact N-O 2.81Å
41	T	75.6	Confident	78.4	Confident	79 Å²	79	54.9 Å²	54.9	49%	0.485	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.9	-177.7	48.6	0	0	0	0	113.5	E39 K82	E39-T41 PolarHBondContact O-N 3.23Å; T41-K82 WeakPolarHBondContact O-CE 3.45Å; T41-K82 PolarHBondContact O-NZ 3.44Å
42	E	78.3	Confident	78.9	Confident	101 Å²	101	52.6 Å²	52.6	47%	0.472	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-55.9	-178.6	-70.7	177.2	-142.3	0	0	112.6	A26 C40 K82	A26-E42 HydrophobicContact CB-CB 3.95Å; A26-E42 HydrophobicContact CB-CG 3.96Å; A26-E42 WeakPolarHBondContact CB-OE1 3.42Å; C40-E42 PolarHBondContact O-N 3.29Å; E42-K82 PolarHBondContact O-NZ 3.08Å
43	C	85.4	Confident	79.5	Confident	4 Å²	4	55.4 Å²	55.4	3%	0.027	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-15.4	180	67.1	0	0	0	0	115.2	C19 C24 C40 Q45 V87 K88	C19-C43 VanDerWaalsContact SG-SG 3.68Å; C24-C43 HydrophobicContact CB-CB 3.9Å; C24-C43 VanDerWaalsContact SG-CB 3.58Å; C24-C43 VanDerWaalsContact SG-SG 3.65Å; C40-C43 VanDerWaalsContact CB-SG 3.55Å; C40-C43 PolarHBondContact SG-SG 3.5Å; C43-Q45 HydrophobicContact CB-CG 4.49Å; C43-Q45 PolarHBondContact O-N 3.15Å; C43-V87 CarbonylContact O-C 3.41Å; C43-V87 WeakPolarHBondContact O-CA 3.48Å; C43-K88 HydrophobicContact CB-CB 4.08Å; C43-K88 PolarHBondContact O-N 2.99Å
44	G	84.7	Confident	80.4	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.01	31%	0.314	C	S	.	.			trans	76.6	-1.7	-176.1	0	0	0	0	0	115	C40	C40-G44 WeakPolarHBondContact O-CA 3.29Å; C40-G44 PolarHBondContact O-N 2.97Å
45	Q	87.8	Confident	81.6	Confident	7 Å²	7	58.2 Å²	58.2	3%	0.033	32%	0.323	C	S	.	.			trans	-67.7	154.4	174.7	-65.7	-175.9	38.7	0	0	111.2	D21 C40 C43 H47 V87 K88 V89 T147	D21-Q45 PolarHBondContact OD2-NE2 3.07Å; C40-Q45 PolarHBondContact N-O 2.81Å; C43-Q45 HydrophobicContact CB-CG 4.49Å; C43-Q45 PolarHBondContact O-N 3.15Å; Q45-H47 PolarHBondContact OE1-CE1 3.48Å; Q45-V87 HydrophobicContact CB-CG1 4.49Å; Q45-V87 HydrophobicContact CG-CG1 3.73Å; Q45-K88 PolarHBondContact NE2-O 2.74Å; Q45-V89 HydrophobicContact CG-CG2 4.41Å; Q45-T147 HydrophobicContact CG-CG2 3.84Å
46	R	86.8	Confident	82.9	Confident	112 Å²	112	59 Å²	59	42%	0.423	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.5	174.5	-76.8	178.6	163.4	-123.8	-8.8	109.4	I38 E39	I38-R46 WeakPolarHBondContact O-CA 3.42Å; E39-R46 HydrophobicContact CB-CG 3.99Å; E39-R46 HydrophobicContact CG-CG 3.99Å; E39-R46 IonicContact OE2-CZ 2.92Å; E39-R46 IonicContact OE2-NE 3.3Å; E39-R46 PolarHBondContact OE2-NE 3.21Å; E39-R46 IonicContact OE2-NH2 3.09Å; E39-R46 PolarHBondContact OE2-NH2 3.1Å
47	H	85.2	Confident	83.6	Confident	20 Å²	20	57.2 Å²	57.2	9%	0.093	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	155.9	-179.7	-50.1	-70	0	0	0	109.4	C19 P20 S37 I38 Q45 L52	C19-H47 PolarHBondContact SG-NE2 3.26Å; P20-H47 WeakPolarHBondContact CG-ND1 3.16Å; S37-H47 CarbonylContact C-O 3.21Å; S37-H47 WeakPolarHBondContact CA-O 3.49Å; S37-H47 PolarHBondContact OG-O 3.11Å; I38-H47 PolarHBondContact N-O 3.09Å; I38-H47 PolarHBondContact O-N 3.06Å; Q45-H47 PolarHBondContact OE1-CE1 3.48Å; H47-L52 HydrophobicContact CB-CD2 3.73Å; H47-L52 HydrophobicContact CB-CG 4.31Å
48	E	85.4	Confident	83.3	Confident	114 Å²	114	56 Å²	56	53%	0.533	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	155.2	164.1	-63	-169.6	162.4	0	0	110	I36 S50 G51 L52	I36-E48 HydrophobicContact CG2-CG 4.42Å; I36-E48 CarbonylContact O-C 3.59Å; I36-E48 VanDerWaalsContact O-CA 3.28Å; I36-E48 WeakPolarHBondContact O-CA 3.23Å; E48-S50 PolarHBondContact O-N 3.32Å; E48-G51 WeakPolarHBondContact O-CA 3.27Å; E48-G51 PolarHBondContact O-N 3.27Å; E48-L52 PolarHBondContact O-N 3.29Å
49	Q	82.9	Confident	82.4	Confident	43 Å²	43	61.1 Å²	61.1	20%	0.201	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-53.5	-37.1	177.2	-73	176.3	29.4	0	0	112.8	F30 G34 S35 I36 I38 G51	F30-Q49 HydrophobicContact CD2-CG 4.08Å; F30-Q49 HydrophobicContact CE2-CB 4.37Å; F30-Q49 HydrophobicContact CE2-CG 3.84Å; G34-Q49 PolarHBondContact O-NE2 2.9Å; S35-Q49 PolarHBondContact O-NE2 3.28Å; I36-Q49 PolarHBondContact O-N 2.67Å; I38-Q49 HydrophobicContact CD1-CG 3.54Å; I38-Q49 HydrophobicContact CG1-CG 4.44Å; Q49-G51 VanDerWaalsContact C-N 3.3Å; Q49-G51 PolarHBondContact O-N 3.19Å
50	S	80.6	Confident	81.1	Confident	103 Å²	103	62 Å²	62	72%	0.72	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-68.5	-21.4	174.3	44.9	0	0	0	0	114.6	E48	E48-S50 PolarHBondContact O-N 3.32Å
51	G	82.9	Confident	79.5	Confident	37 Å²	37	66.4 Å²	66.4	38%	0.381	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-98.3	5.7	-179.2	0	0	0	0	0	114.3	P20 E48 Q49	P20-G51 WeakPolarHBondContact CG-O 3.4Å; E48-G51 WeakPolarHBondContact O-CA 3.27Å; E48-G51 PolarHBondContact O-N 3.27Å; Q49-G51 VanDerWaalsContact C-N 3.3Å; Q49-G51 PolarHBondContact O-N 3.19Å
52	L	86.5	Confident	78.2	Confident	11 Å²	11	68.5 Å²	68.5	6%	0.058	37%	0.372	C	S	.	.	S	Bend	trans	-88.4	142.2	170.7	-65.2	178.1	0	0	0	110	L28 F30 I38 H47 E48 V55	L28-L52 HydrophobicContact CD1-CD2 4.05Å; F30-L52 HydrophobicContact CD1-CD1 4.16Å; F30-L52 HydrophobicContact CE1-CD1 3.44Å; F30-L52 VanDerWaalsContact CE1-CD1 3.44Å; F30-L52 HydrophobicContact CZ-CD1 3.72Å; I38-L52 HydrophobicContact CD1-CD1 3.71Å; H47-L52 HydrophobicContact CB-CD2 3.73Å; H47-L52 HydrophobicContact CB-CG 4.31Å; E48-L52 PolarHBondContact O-N 3.29Å; L52-V55 HydrophobicContact CB-CG2 3.83Å; L52-V55 WeakPolarHBondContact O-CG2 3.43Å
53	L	87.2	Confident	77	Confident	81 Å²	81	65.9 Å²	65.9	42%	0.424	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	151.4	177.6	-54.7	177.1	0	0	0	109.9	T18 P20 V55	T18-L53 WeakPolarHBondContact CB-O 3.34Å; T18-L53 HydrophobicContact CG2-CB 4.3Å; T18-L53 PolarHBondContact N-O 3.42Å; T18-L53 PolarHBondContact O-N 3.15Å; P20-L53 HydrophobicContact CB-CD1 4.45Å; P20-L53 HydrophobicContact CB-CG 4.31Å; L53-V55 PolarHBondContact O-N 3.31Å
54	N	85.8	Confident	75.5	Confident	117 Å²	117	67.3 Å²	67.3	63%	0.626	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	48	59.5	175	-53.3	-2.8	0	0	0	112.7	E56	N54-E56 PolarHBondContact O-N 3.14Å
55	V	85.4	Confident	73.9	Confident	66 Å²	66	71.6 Å²	71.6	40%	0.4	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	115.8	179.2	179.3	0	0	0	0	109.9	L15 C16 F30 L52 L53	L15-V55 HydrophobicContact CB-CG1 4.23Å; L15-V55 HydrophobicContact CD1-CG1 4.06Å; C16-V55 CarbonylContact O-C 3.34Å; C16-V55 VanDerWaalsContact O-CA 3.28Å; C16-V55 WeakPolarHBondContact O-CA 3.37Å; F30-V55 HydrophobicContact CZ-CG1 4.04Å; F30-V55 HydrophobicContact CZ-CG2 4.46Å; L52-V55 HydrophobicContact CB-CG2 3.83Å; L52-V55 WeakPolarHBondContact O-CG2 3.43Å; L53-V55 PolarHBondContact O-N 3.31Å
56	E	84.9	Confident	72.2	Confident	105 Å²	105	74.8 Å²	74.8	49%	0.491	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.2	-170.9	-67.7	168.7	-178.4	0	0	110.7	L15 C16 R27 N54	L15-E56 CarbonylContact C-O 3.5Å; L15-E56 VanDerWaalsContact CA-O 3.31Å; L15-E56 WeakPolarHBondContact CA-O 3.3Å; C16-E56 PolarHBondContact N-O 3.02Å; C16-E56 PolarHBondContact O-N 3.19Å; R27-E56 IonicContact NH2-OE2 2.65Å; N54-E56 PolarHBondContact O-N 3.14Å
57	E	81.8	Confident	70.5	Confident	87 Å²	87	70.1 Å²	70.1	41%	0.407	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.1	173	-174.9	171.7	157.7	0	0	111.2	R13 L15 T59	R13-E57 HydrophobicContact CB-CG 4.4Å; R13-E57 VanDerWaalsContact CD-OE1 3.25Å; R13-E57 WeakPolarHBondContact CD-OE1 3.47Å; R13-E57 WeakPolarHBondContact CD-OE2 3.41Å; R13-E57 WeakPolarHBondContact CG-OE1 3.17Å; R13-E57 IonicContact CZ-OE2 3.1Å; R13-E57 IonicContact NE-OE2 3.6Å; R13-E57 IonicContact NH1-OE2 3.19Å; R13-E57 PolarHBondContact NH1-OE2 2.89Å; L15-E57 HydrophobicContact CD2-CB 4.11Å; L15-E57 HydrophobicContact CD2-CG 4.5Å; E57-T59 PolarHBondContact O-N 2.83Å
58	V	74.7	Confident	68.9	Low	17 Å²	17	73 Å²	73	10%	0.103	41%	0.407	C	S	.	.			trans	-87.2	101.7	177.7	-168.8	0	0	0	0	108.7	I14 C16 F29 V63 V64	I14-V58 HydrophobicContact CG2-CB 4.46Å; I14-V58 HydrophobicContact CG2-CG2 4.24Å; I14-V58 PolarHBondContact O-N 3.45Å; C16-V58 HydrophobicContact CB-CG2 3.65Å; F29-V58 HydrophobicContact CD1-CG2 3.98Å; F29-V58 HydrophobicContact CE1-CG2 4.01Å; V58-V63 HydrophobicContact CG1-CB 4.08Å; V58-V63 HydrophobicContact CG1-CG1 3.82Å; V58-V64 HydrophobicContact CB-CG2 3.88Å; V58-V64 HydrophobicContact CG1-CG2 3.73Å; V58-V64 VanDerWaalsContact O-CG2 3.22Å; V58-V64 WeakPolarHBondContact O-CG2 3.22Å
59	T	63.5	Low	67.1	Low	124 Å²	124	70.8 Å²	70.8	76%	0.761	40%	0.399	S	S	*	.			trans	-86.9	-15	179.9	52.1	0	0	0	0	113.8	E57 P61	E57-T59 PolarHBondContact O-N 2.83Å; T59-P61 WeakPolarHBondContact O-CD 3.37Å
60	D	55.8	Low	65.4	Low	73 Å²	73	72.5 Å²	72.5	39%	0.39	40%	0.403	S	S	.	.			trans	-74.9	115.8	177.8	-178.7	-35.4	0	0	0	110.8	D62 V63 V64	D60-D62 VanDerWaalsContact C-N 3.34Å; D60-D62 PolarHBondContact O-N 3.15Å; D60-D62 PolarHBondContact OD1-N 3.24Å; D60-V63 HydrophobicContact CB-CB 4.06Å; D60-V63 HydrophobicContact CB-CG2 4.07Å; D60-V63 PolarHBondContact O-N 2.88Å; D60-V63 PolarHBondContact OD1-N 3.09Å; D60-V63 WeakPolarHBondContact OD2-CG2 3.47Å; D60-V64 WeakPolarHBondContact O-CB 3.5Å; D60-V64 VanDerWaalsContact O-CG2 3.25Å; D60-V64 WeakPolarHBondContact O-CG2 3.22Å; D60-V64 PolarHBondContact O-N 3.3Å
61	P	48.5	Very low	63.7	Low	93 Å²	93	73.3 Å²	73.3	60%	0.604	40%	0.4	S	S	*	.	H	α-helix	trans	-68.3	-29.1	-175.9	29.1	-35.2	0	0	0	113.4	T59 L65	T59-P61 WeakPolarHBondContact O-CD 3.37Å; P61-L65 WeakPolarHBondContact O-CB 3.48Å; P61-L65 PolarHBondContact O-N 3.1Å
62	D	48.2	Very low	61.6	Low	123 Å²	123	75 Å²	75	66%	0.658	41%	0.41	S	S	*	.	H	α-helix	trans	-75.6	-39.3	-179.7	-70.7	-19.5	0	0	0	110.2	D60 L65 H66	D60-D62 VanDerWaalsContact C-N 3.34Å; D60-D62 PolarHBondContact O-N 3.15Å; D60-D62 PolarHBondContact OD1-N 3.24Å; D62-L65 PolarHBondContact O-N 3.05Å; D62-H66 VanDerWaalsContact O-CB 3.24Å; D62-H66 WeakPolarHBondContact O-CB 3.45Å; D62-H66 PolarHBondContact O-N 3.36Å
63	V	54	Low	59.1	Low	46 Å²	46	81 Å²	81	28%	0.279	44%	0.441	S	S	.	.	H	α-helix	trans	-68.9	-39.2	173.5	179.3	0	0	0	0	111.4	F29 V58 D60 N67	F29-V63 HydrophobicContact CE1-CG1 3.73Å; F29-V63 HydrophobicContact CZ-CG1 4.16Å; V58-V63 HydrophobicContact CG1-CB 4.08Å; V58-V63 HydrophobicContact CG1-CG1 3.82Å; D60-V63 HydrophobicContact CB-CB 4.06Å; D60-V63 HydrophobicContact CB-CG2 4.07Å; D60-V63 PolarHBondContact O-N 2.88Å; D60-V63 PolarHBondContact OD1-N 3.09Å; D60-V63 WeakPolarHBondContact OD2-CG2 3.47Å; V63-N67 PolarHBondContact O-N 2.72Å; V63-N67 PolarHBondContact O-ND2 2.85Å
64	V	53.2	Low	56.8	Low	33 Å²	33	80.9 Å²	80.9	20%	0.2	44%	0.441	C	S	.	.	H	α-helix	trans	-61.3	-49.6	172.4	164.6	0	0	0	0	110.6	I14 V58 D60 N67 L68	I14-V64 HydrophobicContact CB-CG2 4.27Å; I14-V64 HydrophobicContact CD1-CG1 4.19Å; I14-V64 HydrophobicContact CG1-CG1 4.43Å; V58-V64 HydrophobicContact CB-CG2 3.88Å; V58-V64 HydrophobicContact CG1-CG2 3.73Å; V58-V64 VanDerWaalsContact O-CG2 3.22Å; V58-V64 WeakPolarHBondContact O-CG2 3.22Å; D60-V64 WeakPolarHBondContact O-CB 3.5Å; D60-V64 VanDerWaalsContact O-CG2 3.25Å; D60-V64 WeakPolarHBondContact O-CG2 3.22Å; D60-V64 PolarHBondContact O-N 3.3Å; V64-N67 PolarHBondContact O-N 2.87Å; V64-L68 HydrophobicContact CG1-CD1 3.84Å; V64-L68 WeakPolarHBondContact O-CB 3.31Å; V64-L68 PolarHBondContact O-N 2.76Å
65	L	50.9	Low	54.4	Low	91 Å²	91	79 Å²	79	48%	0.476	45%	0.449	S	S	.	.	H	α-helix	trans	-63.2	-51.6	-179.6	-178	61.3	0	0	0	111.1	P61 D62 N67 L68 L69	P61-L65 WeakPolarHBondContact O-CB 3.48Å; P61-L65 PolarHBondContact O-N 3.1Å; D62-L65 PolarHBondContact O-N 3.05Å; L65-N67 VanDerWaalsContact C-N 3.28Å; L65-N67 PolarHBondContact O-N 3.02Å; L65-L68 PolarHBondContact O-N 2.91Å; L65-L68 VanDerWaalsContact O-N 3.13Å; L65-L69 HydrophobicContact CD1-CD1 4.12Å; L65-L69 HydrophobicContact CD1-CD2 4.14Å; L65-L69 HydrophobicContact CD1-CG 3.89Å; L65-L69 HydrophobicContact CG-CD1 3.86Å; L65-L69 HydrophobicContact CG-CG 4.09Å; L65-L69 WeakPolarHBondContact O-CB 3.24Å; L65-L69 VanDerWaalsContact O-CG 3.24Å; L65-L69 WeakPolarHBondContact O-CG 3.21Å; L65-L69 PolarHBondContact O-N 3.19Å
66	H	52.1	Low	52.1	Low	74 Å²	74	77.6 Å²	77.6	34%	0.343	44%	0.441	S	S	.	.	H	α-helix	trans	-54.8	-41.4	179.8	177.1	-82.3	0	0	0	112.6	D62 R70	D62-H66 VanDerWaalsContact O-CB 3.24Å; D62-H66 WeakPolarHBondContact O-CB 3.45Å; D62-H66 PolarHBondContact O-N 3.36Å; H66-R70 WeakPolarHBondContact O-CB 3.33Å; H66-R70 PolarHBondContact O-N 2.76Å; H66-R70 VanDerWaalsContact O-N 3.12Å
67	N	51.4	Low	49.8	Very low	14 Å²	14	78.3 Å²	78.3	8%	0.075	45%	0.452	C	S	.	.	H	α-helix	trans	-81.1	-25.5	179.6	-69.1	-66.9	0	0	0	113.9	F29 V63 V64 L65 N71	F29-N67 HydrophobicContact CB-CB 3.95Å; F29-N67 HydrophobicContact CD1-CB 4.47Å; F29-N67 HydrophobicContact CG-CB 4.1Å; V63-N67 PolarHBondContact O-N 2.72Å; V63-N67 PolarHBondContact O-ND2 2.85Å; V64-N67 PolarHBondContact O-N 2.87Å; L65-N67 VanDerWaalsContact C-N 3.28Å; L65-N67 PolarHBondContact O-N 3.02Å; N67-N71 PolarHBondContact O-ND2 2.85Å
68	L	51.7	Low	48.3	Very low	81 Å²	81	76.6 Å²	76.6	42%	0.424	46%	0.458	S	S	.	.	H	α-helix	trans	-66.8	-50.6	165.2	-88.4	162.3	0	0	0	111.5	I14 V64 L65 R70 N71 A72	I14-L68 HydrophobicContact CD1-CD1 3.76Å; I14-L68 HydrophobicContact CD1-CD2 3.99Å; I14-L68 HydrophobicContact CD1-CG 3.52Å; V64-L68 HydrophobicContact CG1-CD1 3.84Å; V64-L68 WeakPolarHBondContact O-CB 3.31Å; V64-L68 PolarHBondContact O-N 2.76Å; L65-L68 PolarHBondContact O-N 2.91Å; L65-L68 VanDerWaalsContact O-N 3.13Å; L68-R70 VanDerWaalsContact C-N 3.29Å; L68-R70 PolarHBondContact O-N 3.19Å; L68-N71 PolarHBondContact O-N 3.17Å; L68-A72 WeakPolarHBondContact O-CB 3.46Å; L68-A72 PolarHBondContact O-N 3.03Å
69	L	46.3	Very low	47.2	Very low	68 Å²	68	77.8 Å²	77.8	36%	0.356	47%	0.47	S	S	.	.	H	α-helix	trans	-54.9	-45.7	179.9	-70	178	0	0	0	111.4	L65 N71 A72 L73 L74	L65-L69 HydrophobicContact CD1-CD1 4.12Å; L65-L69 HydrophobicContact CD1-CD2 4.14Å; L65-L69 HydrophobicContact CD1-CG 3.89Å; L65-L69 HydrophobicContact CG-CD1 3.86Å; L65-L69 HydrophobicContact CG-CG 4.09Å; L65-L69 WeakPolarHBondContact O-CB 3.24Å; L65-L69 VanDerWaalsContact O-CG 3.24Å; L65-L69 WeakPolarHBondContact O-CG 3.21Å; L65-L69 PolarHBondContact O-N 3.19Å; L69-N71 PolarHBondContact O-N 3.49Å; L69-N71 VanDerWaalsContact O-N 3.15Å; L69-A72 PolarHBondContact O-N 3.39Å; L69-L73 HydrophobicContact CD2-CB 3.61Å; L69-L73 HydrophobicContact CD2-CD1 3.43Å; L69-L73 VanDerWaalsContact CD2-CD1 3.43Å; L69-L73 HydrophobicContact CD2-CG 4.15Å; L69-L73 PolarHBondContact O-N 2.72Å; L69-L73 VanDerWaalsContact O-N 3.11Å; L69-L74 PolarHBondContact O-N 2.67Å
70	R	48.7	Very low	46.9	Very low	78 Å²	78	73.2 Å²	73.2	29%	0.294	44%	0.442	S	S	.	.	H	α-helix	trans	-55.7	-27.4	176.7	-175.7	175.7	-179.2	174.7	2.9	114.2	H66 L68 C442	H66-R70 WeakPolarHBondContact O-CB 3.33Å; H66-R70 PolarHBondContact O-N 2.76Å; H66-R70 VanDerWaalsContact O-N 3.12Å; L68-R70 VanDerWaalsContact C-N 3.29Å; L68-R70 PolarHBondContact O-N 3.19Å; R70-C442 PolarHBondContact NH2-O 2.98Å
71	N	44.3	Very low	47.4	Very low	121 Å²	121	77.5 Å²	77.5	65%	0.647	46%	0.457	S	S	*	.	H	α-helix	trans	-109.9	-22.4	-176	-70.8	-25.9	0	0	0	114.2	N67 L68 L69	N67-N71 PolarHBondContact O-ND2 2.85Å; L68-N71 PolarHBondContact O-N 3.17Å; L69-N71 PolarHBondContact O-N 3.49Å; L69-N71 VanDerWaalsContact O-N 3.15Å
72	A	38.1	Very low	48.7	Very low	73 Å²	73	74.5 Å²	74.5	60%	0.603	44%	0.435	S	S	*	.	H	α-helix	trans	-124.4	-30.9	-167.3	0	0	0	0	0	115.3	L68 L69	L68-A72 WeakPolarHBondContact O-CB 3.46Å; L68-A72 PolarHBondContact O-N 3.03Å; L69-A72 PolarHBondContact O-N 3.39Å
73	L	35.1	Very low	50.1	Low	135 Å²	135	69 Å²	69	71%	0.707	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	-6.4	-168.9	-111.4	168.2	0	0	0	114.9	L69	L69-L73 HydrophobicContact CD2-CB 3.61Å; L69-L73 HydrophobicContact CD2-CD1 3.43Å; L69-L73 VanDerWaalsContact CD2-CD1 3.43Å; L69-L73 HydrophobicContact CD2-CG 4.15Å; L69-L73 PolarHBondContact O-N 2.72Å; L69-L73 VanDerWaalsContact O-N 3.11Å
74	L	38.6	Very low	51.5	Low	79 Å²	79	69 Å²	69	41%	0.414	41%	0.407	S	S	.	.	S	Bend	trans	-79.5	-17.6	172.6	-74.8	173.5	0	0	0	113.9	L69 V76 C511	L69-L74 PolarHBondContact O-N 2.67Å; L74-V76 HydrophobicContact CB-CB 3.95Å; L74-V76 HydrophobicContact CB-CG2 3.95Å; L74-V76 PolarHBondContact O-N 3.16Å; L74-C511 HydrophobicContact CD1-CB 4.07Å
75	G	35.2	Very low	53.1	Low	78 Å²	78	68.4 Å²	68.4	80%	0.804	40%	0.402	S	S	*	.			trans	67.1	-23.1	-171.3	0	0	0	0	0	115	T77	G75-T77 PolarHBondContact O-N 2.99Å
76	V	37.8	Very low	54.9	Low	37 Å²	37	64.5 Å²	64.5	22%	0.224	38%	0.382	C	S	.	.			trans	-47.2	117.1	168	170.6	0	0	0	0	110.5	L74 G78 W510	L74-V76 HydrophobicContact CB-CB 3.95Å; L74-V76 HydrophobicContact CB-CG2 3.95Å; L74-V76 PolarHBondContact O-N 3.16Å; V76-G78 PolarHBondContact O-N 2.89Å; V76-W510 WeakPolarHBondContact CG1-O 3.35Å; V76-W510 WeakPolarHBondContact CG2-O 3.5Å
77	T	36.3	Very low	56.8	Low	119 Å²	119	61.1 Å²	61.1	73%	0.73	37%	0.366	S	S	*	.			trans	-55.7	114.4	154.8	45.4	0	0	0	0	107.1	G75	G75-T77 PolarHBondContact O-N 2.99Å
78	G	50.4	Low	58.7	Low	51 Å²	51	62.8 Å²	62.8	53%	0.526	37%	0.373	S	S	.	.			trans	-51.2	153.7	-175.4	0	0	0	0	0	112.2	V76	V76-G78 PolarHBondContact O-N 2.89Å
79	A	50.9	Low	60.5	Low	42 Å²	42	59 Å²	59	35%	0.347	35%	0.353	S	S	.	.	S	Bend	trans	-25.6	119.1	177.4	0	0	0	0	0	111.3	K81 Y408	A79-K81 PolarHBondContact O-N 3Å; A79-Y408 HydrophobicContact CB-CE1 4.04Å
80	P	58	Low	62.5	Low	29 Å²	29	58 Å²	58	19%	0.188	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-53.5	140	-150.2	20.7	-33.1	0	0	0	110.4	K82 Q407 Y408 W510	P80-K82 PolarHBondContact O-N 3.14Å; P80-Q407 HydrophobicContact CG-CG 4.32Å; P80-Q407 PolarHBondContact O-NE2 3.48Å; P80-Y408 HydrophobicContact CG-CD1 4.14Å; P80-Y408 HydrophobicContact CG-CE1 4.42Å; P80-W510 HydrophobicContact CB-CH2 3.96Å; P80-W510 HydrophobicContact CB-CZ3 4.19Å; P80-W510 HydrophobicContact CG-CH2 3.52Å; P80-W510 HydrophobicContact CG-CZ2 3.78Å; P80-W510 HydrophobicContact CG-CZ3 3.98Å
81	K	66.7	Low	64.3	Low	162 Å²	162	55.5 Å²	55.5	70%	0.704	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-47.7	128.3	-179.7	-71.6	-179.7	179.7	172.8	0	109.4	A79 G83 Q407	A79-K81 PolarHBondContact O-N 3Å; K81-G83 PolarHBondContact O-N 3Å; K81-Q407 PolarHBondContact O-NE2 2.7Å
82	K	74.6	Confident	66.5	Low	31 Å²	31	50 Å²	50	14%	0.135	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-68.7	131.1	-175.2	-59	-157	-174.2	-170.7	0	109.2	T41 E42 P80	T41-K82 WeakPolarHBondContact O-CE 3.45Å; T41-K82 PolarHBondContact O-NZ 3.44Å; E42-K82 PolarHBondContact O-NZ 3.08Å; P80-K82 PolarHBondContact O-N 3.14Å
83	G	77.6	Confident	69.2	Low	6 Å²	6	46.6 Å²	46.6	6%	0.062	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-58.9	154.9	169.7	0	0	0	0	0	111.1	K81 E85 L86 V87 R411	K81-G83 PolarHBondContact O-N 3Å; G83-E85 WeakPolarHBondContact CA-OE2 3.45Å; G83-E85 PolarHBondContact O-N 3.13Å; G83-L86 CarbonylContact O-C 3.55Å; G83-L86 PolarHBondContact O-N 3.05Å; G83-V87 PolarHBondContact O-N 2.81Å; G83-R411 VanDerWaalsContact CA-NH2 3.3Å
84	T	84.3	Confident	71.9	Confident	47 Å²	47	40.3 Å²	40.3	29%	0.288	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-56.6	-34	176.1	46.7	0	0	0	0	111	L86 V87 M148 H182	T84-L86 PolarHBondContact O-N 3.46Å; T84-V87 PolarHBondContact O-N 3.45Å; T84-M148 HydrophobicContact CG2-CG 3.84Å; T84-H182 PolarHBondContact OG1-NE2 3.49Å
85	E	86.5	Confident	74.5	Confident	21 Å²	21	37 Å²	37	10%	0.098	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-67.4	-17.2	176.8	76.4	-68.1	171	0	0	114.2	G83 S93 N94 Y95 D184 H406 R411	G83-E85 WeakPolarHBondContact CA-OE2 3.45Å; G83-E85 PolarHBondContact O-N 3.13Å; E85-S93 VanDerWaalsContact O-CB 3.27Å; E85-S93 WeakPolarHBondContact O-CB 3.39Å; E85-S93 PolarHBondContact O-OG 3.38Å; E85-N94 PolarHBondContact O-N 3.05Å; E85-Y95 HydrophobicContact CG-CD2 4.45Å; E85-Y95 VanDerWaalsContact O-CB 3.31Å; E85-Y95 WeakPolarHBondContact O-CB 3.4Å; E85-Y95 PolarHBondContact O-N 3.03Å; E85-D184 WeakPolarHBondContact CB-OD2 3.47Å; E85-H406 IonicContact OE1-CE1 2.68Å; E85-R411 VanDerWaalsContact CD-NH2 3.28Å; E85-R411 IonicContact OE1-CZ 3.03Å; E85-R411 IonicContact OE1-NE 3.41Å; E85-R411 PolarHBondContact OE1-NE 3.14Å; E85-R411 IonicContact OE1-NH2 3.83Å; E85-R411 PolarHBondContact OE1-NH2 3.36Å; E85-R411 IonicContact OE2-CZ 3.73Å; E85-R411 IonicContact OE2-NH2 2.74Å; E85-R411 PolarHBondContact OE2-NH2 3.37Å
86	L	89.3	Confident	77.3	Confident	8 Å²	8	33.5 Å²	33.5	4%	0.042	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-112.9	0.6	-177	-77.4	165	0	0	0	114	G83 T84 K88 Y95 A403 Q407	G83-L86 CarbonylContact O-C 3.55Å; G83-L86 PolarHBondContact O-N 3.05Å; T84-L86 PolarHBondContact O-N 3.46Å; L86-K88 PolarHBondContact O-N 2.75Å; L86-Y95 HydrophobicContact CD2-CD1 4.34Å; L86-Y95 HydrophobicContact CD2-CG 4.32Å; L86-A403 HydrophobicContact CD2-CB 3.87Å; L86-Q407 HydrophobicContact CD1-CB 3.77Å; L86-Q407 HydrophobicContact CD1-CG 4.26Å
87	V	90.4	Very high	80	Confident	4 Å²	4	31.9 Å²	31.9	2%	0.024	19%	0.19	C	C	.	.			trans	-68.4	120.5	168.3	179.5	0	0	0	0	109	C43 Q45 G83 T84 S93 T147 M148	C43-V87 CarbonylContact O-C 3.41Å; C43-V87 WeakPolarHBondContact O-CA 3.48Å; Q45-V87 HydrophobicContact CB-CG1 4.49Å; Q45-V87 HydrophobicContact CG-CG1 3.73Å; G83-V87 PolarHBondContact O-N 2.81Å; T84-V87 PolarHBondContact O-N 3.45Å; V87-S93 VanDerWaalsContact O-CA 3.3Å; V87-S93 WeakPolarHBondContact O-CA 3.49Å; V87-S93 WeakPolarHBondContact O-CB 3.48Å; V87-T147 HydrophobicContact CG1-CG2 4.29Å; V87-M148 WeakPolarHBondContact CG1-O 3.48Å; V87-M148 HydrophobicContact CG2-CE 4.35Å
88	K	91.7	Very high	82.7	Confident	49 Å²	49	27.1 Å²	27.1	21%	0.213	16%	0.159	C	C	.	.			trans	-91.2	126.3	179.4	-68	177.2	178.6	-178.4	0	110.2	C43 Q45 L86 G91 L92	C43-K88 HydrophobicContact CB-CB 4.08Å; C43-K88 PolarHBondContact O-N 2.99Å; Q45-K88 PolarHBondContact NE2-O 2.74Å; L86-K88 PolarHBondContact O-N 2.75Å; K88-G91 WeakPolarHBondContact CD-O 3.4Å; K88-L92 WeakPolarHBondContact CA-O 3.29Å
89	V	90.7	Very high	84.8	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-121.2	125.5	171.5	178	0	0	0	0	108.8	Q45 G91 L92 H144 T147 Y150 R201	Q45-V89 HydrophobicContact CG-CG2 4.41Å; V89-G91 PolarHBondContact O-N 2.8Å; V89-L92 PolarHBondContact N-O 2.9Å; V89-L92 PolarHBondContact O-N 2.8Å; V89-H144 WeakPolarHBondContact CG1-NE2 3.31Å; V89-T147 HydrophobicContact CG2-CG2 3.7Å; V89-Y150 HydrophobicContact CB-CD1 4.3Å; V89-Y150 HydrophobicContact CB-CD2 3.86Å; V89-Y150 HydrophobicContact CB-CE2 4.18Å; V89-Y150 HydrophobicContact CB-CG 3.93Å; V89-Y150 HydrophobicContact CG1-CD1 3.95Å; V89-Y150 HydrophobicContact CG1-CD2 4.24Å; V89-Y150 HydrophobicContact CG1-CE1 3.91Å; V89-Y150 HydrophobicContact CG1-CE2 4.22Å; V89-Y150 HydrophobicContact CG1-CG 4.1Å; V89-Y150 HydrophobicContact CG2-CD1 4.09Å; V89-Y150 HydrophobicContact CG2-CD2 3.95Å; V89-Y150 HydrophobicContact CG2-CG 3.59Å; V89-R201 VanDerWaalsContact O-CZ 3.31Å; V89-R201 PolarHBondContact O-NH1 3.31Å; V89-R201 PolarHBondContact O-NH2 3.4Å
90	M	87.3	Confident	87	Confident	48 Å²	48	23 Å²	23	24%	0.236	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	39	-165.6	-55.5	-63.4	-75.4	0	0	111.6	D21 P22 L92	D21-M90 PolarHBondContact OD2-N 3.31Å; P22-M90 HydrophobicContact CG-CE 4.4Å; P22-M90 HydrophobicContact CG-SD 4.25Å; M90-L92 VanDerWaalsContact C-N 3.3Å; M90-L92 PolarHBondContact O-N 2.82Å
91	G	86.5	Confident	88.9	Confident	26 Å²	26	21.6 Å²	21.6	27%	0.268	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-12	-179.1	0	0	0	0	0	116.3	K88 V89	K88-G91 WeakPolarHBondContact CD-O 3.4Å; V89-G91 PolarHBondContact O-N 2.8Å
92	L	91.1	Very high	90.2	Very high	6 Å²	6	15.1 Å²	15.1	3%	0.031	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-111.1	134.7	-174.6	-56.2	-179.5	0	0	0	112.6	K88 V89 M90 R201 M381 V384	K88-L92 WeakPolarHBondContact CA-O 3.29Å; V89-L92 PolarHBondContact N-O 2.9Å; V89-L92 PolarHBondContact O-N 2.8Å; M90-L92 VanDerWaalsContact C-N 3.3Å; M90-L92 PolarHBondContact O-N 2.82Å; L92-R201 PolarHBondContact O-NH1 2.99Å; L92-M381 HydrophobicContact CD1-CE 4.14Å; L92-M381 HydrophobicContact CD1-SD 3.6Å; L92-M381 HydrophobicContact CD2-CE 4.1Å; L92-M381 HydrophobicContact CG-CE 4.02Å; L92-M381 HydrophobicContact CG-SD 3.94Å; L92-V384 HydrophobicContact CD1-CB 4.31Å; L92-V384 HydrophobicContact CD1-CG1 4.1Å; L92-V384 HydrophobicContact CD1-CG2 3.88Å; L92-V384 HydrophobicContact CD2-CG1 3.71Å
93	S	93.4	Very high	91.3	Very high	1 Å²	1	14 Å²	14	1%	0.007	8%	0.08	C	C	.	.			trans	-109.7	168.3	171.4	81.7	0	0	0	0	111.9	E85 V87 H96 C97	E85-S93 VanDerWaalsContact O-CB 3.27Å; E85-S93 WeakPolarHBondContact O-CB 3.39Å; E85-S93 PolarHBondContact O-OG 3.38Å; V87-S93 VanDerWaalsContact O-CA 3.3Å; V87-S93 WeakPolarHBondContact O-CA 3.49Å; V87-S93 WeakPolarHBondContact O-CB 3.48Å; S93-H96 WeakPolarHBondContact O-CB 3.31Å; S93-H96 PolarHBondContact O-N 3.39Å; S93-H96 PolarHBondContact OG-N 3.18Å; S93-C97 PolarHBondContact O-N 3.11Å; S93-C97 PolarHBondContact O-SG 2.83Å
94	N	92.6	Very high	92.2	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.011	8%	0.078	C	C	.	.	H	α-helix	trans	-59.9	-48.3	179.1	-62.4	-7.6	0	0	0	111.3	E85 H96 C97 K98 G149 D184 E202	E85-N94 PolarHBondContact O-N 3.05Å; N94-H96 VanDerWaalsContact C-N 3.27Å; N94-H96 PolarHBondContact O-N 3.34Å; N94-C97 CarbonylContact O-C 3.57Å; N94-C97 WeakPolarHBondContact O-CA 3.23Å; N94-C97 WeakPolarHBondContact O-CB 3.39Å; N94-C97 PolarHBondContact O-N 3.24Å; N94-K98 WeakPolarHBondContact O-CG 3.28Å; N94-K98 PolarHBondContact O-N 3.07Å; N94-G149 PolarHBondContact ND2-O 2.81Å; N94-D184 WeakPolarHBondContact CB-OD2 3.46Å; N94-D184 PolarHBondContact ND2-OD1 3.41Å; N94-E202 WeakPolarHBondContact CB-OE2 3.16Å
95	Y	92.9	Very high	92.8	Very high	10 Å²	10	11.6 Å²	11.6	4%	0.039	6%	0.064	C	C	.	.	H	α-helix	trans	-55.2	-39.5	175.6	-167	-90.2	0	0	0	112.9	E85 L86 K98 L99 A403 H406 V423	E85-Y95 HydrophobicContact CG-CD2 4.45Å; E85-Y95 VanDerWaalsContact O-CB 3.31Å; E85-Y95 WeakPolarHBondContact O-CB 3.4Å; E85-Y95 PolarHBondContact O-N 3.03Å; L86-Y95 HydrophobicContact CD2-CD1 4.34Å; L86-Y95 HydrophobicContact CD2-CG 4.32Å; Y95-K98 PolarHBondContact O-N 2.91Å; Y95-L99 HydrophobicContact CD1-CD1 4.09Å; Y95-L99 HydrophobicContact CD1-CG 4.44Å; Y95-L99 HydrophobicContact CE1-CD1 3.9Å; Y95-L99 HydrophobicContact CE1-CD2 4.48Å; Y95-L99 HydrophobicContact CE1-CG 4.22Å; Y95-L99 PolarHBondContact O-N 3.07Å; Y95-A403 HydrophobicContact CD1-CB 3.92Å; Y95-A403 HydrophobicContact CE1-CB 4.32Å; Y95-H406 AromaticContact CD2-ND1 3.82Å; Y95-H406 HydrophobicContact CE1-CB 3.93Å; Y95-H406 HydrophobicContact CE2-CB 4.27Å; Y95-H406 AromaticContact CE2-CD2 3.88Å; Y95-H406 AromaticContact CE2-CE1 3.85Å; Y95-H406 AromaticContact CE2-CG 3.67Å; Y95-H406 AromaticContact CE2-ND1 3.65Å; Y95-H406 AromaticContact CZ-CG 3.64Å; Y95-V423 WeakPolarHBondContact OH-CB 3.1Å
96	H	93.8	Very high	93.3	Very high	5 Å²	5	16.1 Å²	16.1	2%	0.023	8%	0.08	C	C	.	.	H	α-helix	trans	-68.7	-36.9	176.1	-160.7	101.7	0	0	0	112.2	S93 N94 K98 L100 E388	S93-H96 WeakPolarHBondContact O-CB 3.31Å; S93-H96 PolarHBondContact O-N 3.39Å; S93-H96 PolarHBondContact OG-N 3.18Å; N94-H96 VanDerWaalsContact C-N 3.27Å; N94-H96 PolarHBondContact O-N 3.34Å; H96-K98 VanDerWaalsContact C-N 3.31Å; H96-L100 WeakPolarHBondContact O-CG 3.31Å; H96-L100 PolarHBondContact O-N 2.99Å; H96-E388 IonicContact CD2-OE1 3.22Å; H96-E388 IonicContact CE1-OE1 2.61Å; H96-E388 PolarHBondContact CE1-OE1 2.51Å; H96-E388 IonicContact NE2-OE1 3.13Å; H96-E388 PolarHBondContact NE2-OE1 2.98Å
97	C	94.8	Very high	93.7	Very high	2 Å²	2	19 Å²	19	1%	0.014	9%	0.091	C	C	.	.	H	α-helix	trans	-64.7	-34.1	170.6	-66.6	0	0	0	0	112.5	S93 N94 L100 S101 L203	S93-C97 PolarHBondContact O-N 3.11Å; S93-C97 PolarHBondContact O-SG 2.83Å; N94-C97 CarbonylContact O-C 3.57Å; N94-C97 WeakPolarHBondContact O-CA 3.23Å; N94-C97 WeakPolarHBondContact O-CB 3.39Å; N94-C97 PolarHBondContact O-N 3.24Å; C97-L100 PolarHBondContact O-N 3.08Å; C97-S101 PolarHBondContact O-N 2.94Å; C97-L203 HydrophobicContact CB-CB 4.35Å; C97-L203 HydrophobicContact CB-CD1 4.42Å
98	K	93.1	Very high	93.9	Very high	20 Å²	20	19.1 Å²	19.1	9%	0.087	9%	0.094	C	C	.	.	H	α-helix	trans	-66.3	-46.3	178.4	-66.8	177.7	-159.1	-178.5	0	112.3	N94 Y95 H96 L100 S101 P102 D184 D186 E202	N94-K98 WeakPolarHBondContact O-CG 3.28Å; N94-K98 PolarHBondContact O-N 3.07Å; Y95-K98 PolarHBondContact O-N 2.91Å; H96-K98 VanDerWaalsContact C-N 3.31Å; K98-L100 PolarHBondContact O-N 2.75Å; K98-S101 PolarHBondContact O-N 3.1Å; K98-P102 WeakPolarHBondContact O-CD 3.46Å; K98-D184 VanDerWaalsContact CE-OD2 3.23Å; K98-D184 WeakPolarHBondContact CE-OD2 3.37Å; K98-D184 IonicContact NZ-OD2 3.76Å; K98-D184 PolarHBondContact NZ-OD2 3.25Å; K98-D186 VanDerWaalsContact CE-OD2 3.29Å; K98-D186 WeakPolarHBondContact CE-OD2 3.43Å; K98-D186 IonicContact NZ-OD2 3.99Å; K98-D186 PolarHBondContact NZ-OD2 3.46Å; K98-E202 WeakPolarHBondContact CE-OE2 3.14Å; K98-E202 IonicContact NZ-OE2 2.79Å
99	L	95.4	Very high	94	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-56.4	-33.3	175.1	-68.6	171.2	0	0	0	113.2	Y95 F391 P399 V402 P420	Y95-L99 HydrophobicContact CD1-CD1 4.09Å; Y95-L99 HydrophobicContact CD1-CG 4.44Å; Y95-L99 HydrophobicContact CE1-CD1 3.9Å; Y95-L99 HydrophobicContact CE1-CD2 4.48Å; Y95-L99 HydrophobicContact CE1-CG 4.22Å; Y95-L99 PolarHBondContact O-N 3.07Å; L99-F391 HydrophobicContact CB-CE2 3.97Å; L99-F391 HydrophobicContact CB-CZ 4.4Å; L99-F391 HydrophobicContact CD2-CE2 4.33Å; L99-F391 HydrophobicContact CD2-CZ 4.18Å; L99-F391 WeakPolarHBondContact O-CD2 3.41Å; L99-F391 WeakPolarHBondContact O-CE2 3.18Å; L99-P399 HydrophobicContact CB-CB 4.15Å; L99-P399 HydrophobicContact CD1-CB 3.74Å; L99-P399 WeakPolarHBondContact CD1-O 3.37Å; L99-V402 HydrophobicContact CD1-CB 3.93Å; L99-V402 HydrophobicContact CD1-CG1 4.01Å; L99-V402 HydrophobicContact CD2-CG1 3.97Å; L99-P420 HydrophobicContact CD2-CB 3.77Å
100	L	96.9	Very high	94.1	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-90.8	-21.4	-176.4	-65.6	179.8	0	0	0	114.6	H96 C97 K98 V103 L104 L203 V384 M387 E388 F391 P399	H96-L100 WeakPolarHBondContact O-CG 3.31Å; H96-L100 PolarHBondContact O-N 2.99Å; C97-L100 PolarHBondContact O-N 3.08Å; K98-L100 PolarHBondContact O-N 2.75Å; L100-V103 WeakPolarHBondContact O-CB 3.4Å; L100-V103 PolarHBondContact O-N 3.14Å; L100-V103 VanDerWaalsContact O-N 3.12Å; L100-L104 PolarHBondContact O-N 3.04Å; L100-L203 HydrophobicContact CB-CD1 3.95Å; L100-V384 HydrophobicContact CD1-CG1 3.68Å; L100-M387 HydrophobicContact CB-CB 4.43Å; L100-M387 HydrophobicContact CD1-CB 4.5Å; L100-M387 HydrophobicContact CD2-CB 3.98Å; L100-E388 HydrophobicContact CD1-CG 3.92Å; L100-E388 HydrophobicContact CD2-CG 4.22Å; L100-F391 HydrophobicContact CD2-CB 4.03Å; L100-F391 HydrophobicContact CD2-CD2 4.28Å; L100-F391 HydrophobicContact CD2-CG 4.39Å; L100-P399 HydrophobicContact CD2-CG 4.08Å
101	S	96.3	Very high	94.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.1	-41.2	-177.8	-155.8	0	0	0	0	114.2	C97 K98 V103 L104 T105 L203 W205 H206	C97-S101 PolarHBondContact O-N 2.94Å; K98-S101 PolarHBondContact O-N 3.1Å; S101-V103 VanDerWaalsContact C-N 3.27Å; S101-V103 PolarHBondContact O-N 3.27Å; S101-L104 PolarHBondContact O-N 3.21Å; S101-T105 WeakPolarHBondContact O-CB 3.18Å; S101-T105 PolarHBondContact O-N 2.84Å; S101-T105 PolarHBondContact O-OG1 2.84Å; S101-L203 WeakPolarHBondContact CA-O 3.21Å; S101-L203 VanDerWaalsContact CB-O 3.24Å; S101-L203 WeakPolarHBondContact CB-O 3.35Å; S101-L203 PolarHBondContact OG-O 3.05Å; S101-W205 VanDerWaalsContact CB-CD1 3.43Å; S101-W205 VanDerWaalsContact CB-NE1 3.35Å; S101-W205 PolarHBondContact OG-N 3.36Å; S101-H206 WeakPolarHBondContact OG-CB 3.49Å; S101-H206 PolarHBondContact OG-N 3.35Å; S101-H206 VanDerWaalsContact OG-N 3.12Å
102	P	95.9	Very high	94.2	Very high	26 Å²	26	31.5 Å²	31.5	17%	0.169	14%	0.144	C	C	.	.	H	α-helix	trans	-64.1	-28.2	174.6	-21	31.3	0	0	0	113.8	K98	K98-P102 WeakPolarHBondContact O-CD 3.46Å
103	V	96.9	Very high	94.1	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-74	-52.5	174.8	-177.4	0	0	0	0	109.6	L100 S101 T105 R106 Y107 M387 V390 F391	L100-V103 WeakPolarHBondContact O-CB 3.4Å; L100-V103 PolarHBondContact O-N 3.14Å; L100-V103 VanDerWaalsContact O-N 3.12Å; S101-V103 VanDerWaalsContact C-N 3.27Å; S101-V103 PolarHBondContact O-N 3.27Å; V103-T105 PolarHBondContact O-N 3.1Å; V103-T105 VanDerWaalsContact O-N 3.14Å; V103-R106 PolarHBondContact O-N 3.03Å; V103-Y107 HydrophobicContact CG1-CD2 4.03Å; V103-Y107 HydrophobicContact CG1-CG 4.35Å; V103-Y107 WeakPolarHBondContact O-CD2 3.44Å; V103-Y107 PolarHBondContact O-N 2.97Å; V103-M387 HydrophobicContact CG1-CB 4.35Å; V103-M387 HydrophobicContact CG1-SD 3.9Å; V103-V390 HydrophobicContact CG1-CB 3.83Å; V103-V390 HydrophobicContact CG1-CG1 3.57Å; V103-F391 HydrophobicContact CG2-CB 4.37Å; V103-F391 HydrophobicContact CG2-CD2 4.03Å
104	L	96.1	Very high	94	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-23.8	179.7	-173	144.1	0	0	0	113.4	L100 S101 R106 L203 F204 L383 M387	L100-L104 PolarHBondContact O-N 3.04Å; S101-L104 PolarHBondContact O-N 3.21Å; L104-R106 PolarHBondContact O-N 2.86Å; L104-L203 HydrophobicContact CD1-CD1 4.28Å; L104-L203 HydrophobicContact CD1-CD2 3.85Å; L104-L203 HydrophobicContact CD1-CG 3.89Å; L104-F204 HydrophobicContact CD1-CZ 4.47Å; L104-F204 HydrophobicContact CD2-CD1 3.55Å; L104-F204 HydrophobicContact CD2-CE1 3.42Å; L104-F204 VanDerWaalsContact CD2-CE1 3.42Å; L104-F204 HydrophobicContact CD2-CG 4.29Å; L104-F204 HydrophobicContact CD2-CZ 4.03Å; L104-L383 HydrophobicContact CD1-CD1 4.19Å; L104-L383 HydrophobicContact CD1-CD2 3.82Å; L104-L383 HydrophobicContact CD1-CG 3.89Å; L104-M387 VanDerWaalsContact CA-SD 3.59Å; L104-M387 HydrophobicContact CB-CG 4.05Å; L104-M387 HydrophobicContact CB-SD 3.9Å; L104-M387 HydrophobicContact CD1-CG 4.11Å; L104-M387 HydrophobicContact CG-CG 4.48Å; L104-M387 HydrophobicContact CG-SD 4.37Å
105	T	97.1	Very high	94.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.7	171.8	-63.3	0	0	0	0	112.7	S101 V103 I127 F128 H206 A207 E210	S101-T105 WeakPolarHBondContact O-CB 3.18Å; S101-T105 PolarHBondContact O-N 2.84Å; S101-T105 PolarHBondContact O-OG1 2.84Å; V103-T105 PolarHBondContact O-N 3.1Å; V103-T105 VanDerWaalsContact O-N 3.14Å; T105-I127 HydrophobicContact CG2-CG2 3.99Å; T105-I127 CarbonylContact O-C 3.54Å; T105-I127 VanDerWaalsContact O-CA 3.29Å; T105-I127 WeakPolarHBondContact O-CA 3.4Å; T105-F128 PolarHBondContact O-N 3.22Å; T105-H206 PolarHBondContact OG1-ND1 3.48Å; T105-A207 PolarHBondContact OG1-N 3.37Å; T105-E210 HydrophobicContact CG2-CB 4.37Å; T105-E210 HydrophobicContact CG2-CG 4.09Å
106	R	97.1	Very high	94.3	Very high	116 Å²	116	43.4 Å²	43.4	44%	0.438	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-11.2	-179.2	-59.9	-164	177.4	91.2	13.1	114.9	V103 L104 L119 E210	V103-R106 PolarHBondContact O-N 3.03Å; L104-R106 PolarHBondContact O-N 2.86Å; R106-L119 WeakPolarHBondContact O-CG 3.48Å; R106-L119 PolarHBondContact O-N 2.89Å; R106-E210 IonicContact NH2-OE1 3.39Å; R106-E210 PolarHBondContact NH2-OE1 2.92Å
107	Y	97.1	Very high	94.3	Very high	68 Å²	68	47.6 Å²	47.6	27%	0.267	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.7	179.6	-71.2	-104.1	0	0	0	111.6	V103 A116 K117 L118 V390	V103-Y107 HydrophobicContact CG1-CD2 4.03Å; V103-Y107 HydrophobicContact CG1-CG 4.35Å; V103-Y107 WeakPolarHBondContact O-CD2 3.44Å; V103-Y107 PolarHBondContact O-N 2.97Å; Y107-A116 HydrophobicContact CD1-CB 4.46Å; Y107-K117 CarbonylContact C-O 3.31Å; Y107-K117 VanDerWaalsContact CA-O 3.31Å; Y107-K117 WeakPolarHBondContact CA-O 3.39Å; Y107-L118 HydrophobicContact CD1-CD2 4.15Å; Y107-L118 HydrophobicContact CD1-CG 4.35Å; Y107-L118 HydrophobicContact CD2-CD2 4.04Å; Y107-L118 HydrophobicContact CE1-CD2 3.73Å; Y107-L118 HydrophobicContact CE1-CG 3.89Å; Y107-L118 HydrophobicContact CE2-CD2 3.59Å; Y107-L118 HydrophobicContact CG-CD2 4.3Å; Y107-L118 VanDerWaalsContact CZ-CD2 3.43Å; Y107-V390 HydrophobicContact CD1-CG1 4Å; Y107-V390 HydrophobicContact CD1-CG2 3.9Å; Y107-V390 HydrophobicContact CD2-CG1 4.09Å; Y107-V390 HydrophobicContact CE1-CG1 3.73Å; Y107-V390 HydrophobicContact CE1-CG2 4.05Å; Y107-V390 HydrophobicContact CE2-CG1 3.84Å; Y107-V390 HydrophobicContact CG-CG1 4.17Å; Y107-V390 HydrophobicContact CG-CG2 4.49Å
108	G	94.5	Very high	94.4	Very high	8 Å²	8	50.6 Å²	50.6	8%	0.082	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	178.2	166.8	0	0	0	0	0	111.4	A116 K117	G108-A116 CarbonylContact O-C 3.59Å; G108-A116 VanDerWaalsContact O-CA 3.27Å; G108-A116 WeakPolarHBondContact O-CA 3.41Å; G108-K117 PolarHBondContact N-O 3.19Å; G108-K117 PolarHBondContact O-N 2.9Å
109	M	95	Very high	94.6	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.03	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.3	167.1	175.6	-176.9	57.5	0	0	109.2	K111 K115 Y379 R382 L383 A386	M109-K111 PolarHBondContact O-N 2.94Å; M109-K115 WeakPolarHBondContact CA-O 3.26Å; M109-Y379 HydrophobicContact CE-CD2 3.73Å; M109-Y379 HydrophobicContact CE-CE2 3.34Å; M109-R382 HydrophobicContact CE-CB 3.93Å; M109-R382 VanDerWaalsContact SD-C 3.56Å; M109-R382 HydrophobicContact SD-CB 3.65Å; M109-L383 HydrophobicContact CB-CD1 3.74Å; M109-L383 HydrophobicContact CE-CB 4.12Å; M109-A386 HydrophobicContact CB-CB 4.41Å; M109-A386 HydrophobicContact CG-CB 4.29Å; M109-A386 HydrophobicContact SD-CB 4.46Å
110	D	92	Very high	94.6	Very high	42 Å²	42	55.2 Å²	55.2	23%	0.225	27%	0.267	C	S	.	.			trans	-66.3	128.9	166.7	166	37.3	0	0	0	109.8	Q112 T113 G114 K115	D110-Q112 VanDerWaalsContact C-N 3.31Å; D110-Q112 PolarHBondContact O-N 3.32Å; D110-Q112 PolarHBondContact OD1-N 3.33Å; D110-T113 VanDerWaalsContact OD2-CB 3.3Å; D110-T113 WeakPolarHBondContact OD2-CB 3.44Å; D110-T113 WeakPolarHBondContact OD2-CG2 3.49Å; D110-T113 PolarHBondContact OD2-N 3.27Å; D110-T113 PolarHBondContact OD2-OG1 3.19Å; D110-G114 WeakPolarHBondContact O-CA 3.11Å; D110-G114 PolarHBondContact O-N 3.12Å; D110-K115 PolarHBondContact N-O 2.83Å
111	K	87.4	Confident	94.5	Very high	152 Å²	152	59 Å²	59	66%	0.661	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-31.6	-177.2	-66.5	169.9	-175.3	165.3	0	112	M109 R382	M109-K111 PolarHBondContact O-N 2.94Å; K111-R382 PolarHBondContact O-NH2 2.83Å; K111-R382 VanDerWaalsContact O-NH2 3.16Å
112	Q	88.5	Confident	94.3	Very high	182 Å²	182	61.1 Å²	61.1	85%	0.85	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-62.4	-177.1	-60	-172.6	6.3	0	0	111.3	D110	D110-Q112 VanDerWaalsContact C-N 3.31Å; D110-Q112 PolarHBondContact O-N 3.32Å; D110-Q112 PolarHBondContact OD1-N 3.33Å
113	T	90.3	Very high	94.2	Very high	97 Å²	97	67.4 Å²	67.4	60%	0.595	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-25.7	179.8	60.2	0	0	0	0	113.3	D110 K115	D110-T113 VanDerWaalsContact OD2-CB 3.3Å; D110-T113 WeakPolarHBondContact OD2-CB 3.44Å; D110-T113 WeakPolarHBondContact OD2-CG2 3.49Å; D110-T113 PolarHBondContact OD2-N 3.27Å; D110-T113 PolarHBondContact OD2-OG1 3.19Å; T113-K115 PolarHBondContact O-N 2.77Å; T113-K115 PolarHBondContact OG1-N 3.2Å
114	G	91.3	Very high	94	Very high	19 Å²	19	71.1 Å²	71.1	20%	0.196	35%	0.347	C	S	.	.			trans	74.7	4.8	-171.6	0	0	0	0	0	114.9	D110	D110-G114 WeakPolarHBondContact O-CA 3.11Å; D110-G114 PolarHBondContact O-N 3.12Å
115	K	94.2	Very high	93.8	Very high	130 Å²	130	72.9 Å²	72.9	57%	0.565	37%	0.366	S	S	*	.			trans	-87.9	160.1	178.5	-66.1	-162.8	170.1	-157.7	0	112	M109 D110 T113	M109-K115 WeakPolarHBondContact CA-O 3.26Å; D110-K115 PolarHBondContact N-O 2.83Å; T113-K115 PolarHBondContact O-N 2.77Å; T113-K115 PolarHBondContact OG1-N 3.2Å
116	A	95.8	Very high	93.7	Very high	24 Å²	24	77.4 Å²	77.4	20%	0.198	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	151.6	169.5	0	0	0	0	0	111.7	Y107 G108 A386 M387 V390	Y107-A116 HydrophobicContact CD1-CB 4.46Å; G108-A116 CarbonylContact O-C 3.59Å; G108-A116 VanDerWaalsContact O-CA 3.27Å; G108-A116 WeakPolarHBondContact O-CA 3.41Å; A116-A386 HydrophobicContact CB-CB 4.12Å; A116-A386 WeakPolarHBondContact CB-O 3.47Å; A116-M387 HydrophobicContact CB-CE 3.71Å; A116-V390 HydrophobicContact CB-CG2 3.32Å
117	K	95.6	Very high	93.6	Very high	92 Å²	92	73.6 Å²	73.6	40%	0.4	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	152	169.6	-153.4	-170.6	-173.8	-162.5	0	109.4	Y107 G108 L119 D121 M122	Y107-K117 CarbonylContact C-O 3.31Å; Y107-K117 VanDerWaalsContact CA-O 3.31Å; Y107-K117 WeakPolarHBondContact CA-O 3.39Å; G108-K117 PolarHBondContact N-O 3.19Å; G108-K117 PolarHBondContact O-N 2.9Å; K117-L119 PolarHBondContact O-N 3Å; K117-D121 HydrophobicContact CD-CB 3.85Å; K117-D121 HydrophobicContact CG-CB 4.12Å; K117-D121 PolarHBondContact NZ-O 2.7Å; K117-M122 HydrophobicContact CB-CG 4.05Å; K117-M122 HydrophobicContact CB-SD 4Å; K117-M122 HydrophobicContact CD-CG 3.89Å; K117-M122 HydrophobicContact CG-CG 4.41Å
118	L	96.8	Very high	93.6	Very high	65 Å²	65	71.9 Å²	71.9	34%	0.34	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	138.3	169.8	-72.8	168.5	0	0	0	110	Y107 K120 D121 M122	Y107-L118 HydrophobicContact CD1-CD2 4.15Å; Y107-L118 HydrophobicContact CD1-CG 4.35Å; Y107-L118 HydrophobicContact CD2-CD2 4.04Å; Y107-L118 HydrophobicContact CE1-CD2 3.73Å; Y107-L118 HydrophobicContact CE1-CG 3.89Å; Y107-L118 HydrophobicContact CE2-CD2 3.59Å; Y107-L118 HydrophobicContact CG-CD2 4.3Å; Y107-L118 VanDerWaalsContact CZ-CD2 3.43Å; L118-K120 PolarHBondContact O-N 3.23Å; L118-D121 HydrophobicContact CB-CB 4.43Å; L118-D121 PolarHBondContact O-N 2.77Å; L118-D121 VanDerWaalsContact O-N 3.13Å; L118-M122 PolarHBondContact O-N 3.49Å
119	L	96.2	Very high	93.7	Very high	2 Å²	2	74.7 Å²	74.7	1%	0.01	39%	0.385	C	S	.	.	S	Bend	trans	-60.7	-34.9	178.4	-67.5	167.7	0	0	0	111.5	R106 K117 D121 M122 N123 Q124 G125 F128	R106-L119 WeakPolarHBondContact O-CG 3.48Å; R106-L119 PolarHBondContact O-N 2.89Å; K117-L119 PolarHBondContact O-N 3Å; L119-D121 VanDerWaalsContact C-N 3.32Å; L119-D121 PolarHBondContact O-N 3.25Å; L119-M122 CarbonylContact O-C 3.53Å; L119-M122 WeakPolarHBondContact O-CA 3.3Å; L119-M122 WeakPolarHBondContact O-CB 3.25Å; L119-M122 PolarHBondContact O-N 3.38Å; L119-N123 PolarHBondContact O-N 2.84Å; L119-Q124 HydrophobicContact CB-CB 4.14Å; L119-Q124 HydrophobicContact CD2-CB 4.09Å; L119-Q124 PolarHBondContact O-N 3.2Å; L119-G125 CarbonylContact C-O 3.05Å; L119-G125 VanDerWaalsContact CB-O 3.26Å; L119-G125 WeakPolarHBondContact CB-O 3.11Å; L119-F128 VanDerWaalsContact CD1-CA 3.49Å; L119-F128 HydrophobicContact CD1-CB 3.77Å; L119-F128 VanDerWaalsContact CD1-N 3.27Å
120	K	95.6	Very high	93.8	Very high	119 Å²	119	74.4 Å²	74.4	52%	0.517	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-55.8	-47.7	174.6	-156.8	-170.5	-164.3	86.2	0	111.1	L118 M122 N123 G125 D126	L118-K120 PolarHBondContact O-N 3.23Å; K120-M122 PolarHBondContact O-N 3.14Å; K120-N123 PolarHBondContact O-N 2.87Å; K120-G125 WeakPolarHBondContact CA-O 3.38Å; K120-G125 PolarHBondContact N-O 3.06Å; K120-D126 VanDerWaalsContact CD-OD1 3.28Å; K120-D126 WeakPolarHBondContact CD-OD1 3.05Å; K120-D126 WeakPolarHBondContact CG-OD1 3.46Å; K120-D126 IonicContact NZ-OD1 2.86Å; K120-D126 PolarHBondContact NZ-OD1 3.01Å; K120-D126 IonicContact NZ-OD2 3.3Å; K120-D126 PolarHBondContact NZ-OD2 3.31Å
121	D	94.8	Very high	93.9	Very high	81 Å²	81	73.8 Å²	73.8	43%	0.433	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-73.3	-8.3	178.7	-48.1	-10.3	0	0	0	113.5	K117 L118 L119	K117-D121 HydrophobicContact CD-CB 3.85Å; K117-D121 HydrophobicContact CG-CB 4.12Å; K117-D121 PolarHBondContact NZ-O 2.7Å; L118-D121 HydrophobicContact CB-CB 4.43Å; L118-D121 PolarHBondContact O-N 2.77Å; L118-D121 VanDerWaalsContact O-N 3.13Å; L119-D121 VanDerWaalsContact C-N 3.32Å; L119-D121 PolarHBondContact O-N 3.25Å
122	M	92.9	Very high	94.2	Very high	45 Å²	45	71.2 Å²	71.2	22%	0.222	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-97.8	1.9	170.5	-62.3	179.7	68.2	0	0	112.1	K117 L118 L119 K120 Q124	K117-M122 HydrophobicContact CB-CG 4.05Å; K117-M122 HydrophobicContact CB-SD 4Å; K117-M122 HydrophobicContact CD-CG 3.89Å; K117-M122 HydrophobicContact CG-CG 4.41Å; L118-M122 PolarHBondContact O-N 3.49Å; L119-M122 CarbonylContact O-C 3.53Å; L119-M122 WeakPolarHBondContact O-CA 3.3Å; L119-M122 WeakPolarHBondContact O-CB 3.25Å; L119-M122 PolarHBondContact O-N 3.38Å; K120-M122 PolarHBondContact O-N 3.14Å; M122-Q124 VanDerWaalsContact C-N 3.3Å; M122-Q124 HydrophobicContact CB-CB 4.4Å; M122-Q124 HydrophobicContact CB-CG 4.05Å
123	N	92.6	Very high	94.5	Very high	157 Å²	157	63 Å²	63	84%	0.84	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	38	-169.3	-55.8	-53	0	0	0	113.1	L119 K120	L119-N123 PolarHBondContact O-N 2.84Å; K120-N123 PolarHBondContact O-N 2.87Å
124	Q	92.6	Very high	94.6	Very high	85 Å²	85	58.4 Å²	58.4	40%	0.397	31%	0.31	S	S	.	.	S	Bend	trans	-114.3	20.6	-177.4	-67.9	176.4	5.2	0	0	113	L119 M122	L119-Q124 HydrophobicContact CB-CB 4.14Å; L119-Q124 HydrophobicContact CD2-CB 4.09Å; L119-Q124 PolarHBondContact O-N 3.2Å; M122-Q124 VanDerWaalsContact C-N 3.3Å; M122-Q124 HydrophobicContact CB-CB 4.4Å; M122-Q124 HydrophobicContact CB-CG 4.05Å
125	G	92.8	Very high	94.6	Very high	41 Å²	41	58.8 Å²	58.8	42%	0.423	31%	0.307	S	S	.	.			trans	79.9	-179.2	-178.5	0	0	0	0	0	113.9	L119 K120	L119-G125 CarbonylContact C-O 3.05Å; L119-G125 VanDerWaalsContact CB-O 3.26Å; L119-G125 WeakPolarHBondContact CB-O 3.11Å; K120-G125 WeakPolarHBondContact CA-O 3.38Å; K120-G125 PolarHBondContact N-O 3.06Å
126	D	93.8	Very high	94.6	Very high	95 Å²	95	55.9 Å²	55.9	51%	0.508	29%	0.293	S	S	.	.	S	Bend	trans	-85.6	-13.3	-179.6	-72.5	-52.4	0	0	0	113.7	K120	K120-D126 VanDerWaalsContact CD-OD1 3.28Å; K120-D126 WeakPolarHBondContact CD-OD1 3.05Å; K120-D126 WeakPolarHBondContact CG-OD1 3.46Å; K120-D126 IonicContact NZ-OD1 2.86Å; K120-D126 PolarHBondContact NZ-OD1 3.01Å; K120-D126 IonicContact NZ-OD2 3.3Å; K120-D126 PolarHBondContact NZ-OD2 3.31Å
127	I	96.1	Very high	94.5	Very high	36 Å²	36	54.8 Å²	54.8	19%	0.185	28%	0.284	C	S	.	.	S	Bend	trans	-138.4	145.2	-178.1	-63.9	176.5	0	0	0	108.3	T105 D129 E210	T105-I127 HydrophobicContact CG2-CG2 3.99Å; T105-I127 CarbonylContact O-C 3.54Å; T105-I127 VanDerWaalsContact O-CA 3.29Å; T105-I127 WeakPolarHBondContact O-CA 3.4Å; I127-D129 PolarHBondContact O-N 3.48Å; I127-E210 HydrophobicContact CD1-CB 4.35Å; I127-E210 HydrophobicContact CG2-CB 4.24Å
128	F	97	Very high	94.5	Very high	32 Å²	32	51.4 Å²	51.4	14%	0.14	27%	0.269	C	S	.	.			trans	-61.3	115	177.4	179.4	-92.2	0	0	0	111.6	T105 L119 C130 L132 L133 F204 A207 N211	T105-F128 PolarHBondContact O-N 3.22Å; L119-F128 VanDerWaalsContact CD1-CA 3.49Å; L119-F128 HydrophobicContact CD1-CB 3.77Å; L119-F128 VanDerWaalsContact CD1-N 3.27Å; F128-C130 PolarHBondContact O-N 3.48Å; F128-C130 VanDerWaalsContact O-N 3.16Å; F128-L132 HydrophobicContact CE2-CD1 4.41Å; F128-L132 HydrophobicContact CZ-CB 4.34Å; F128-L132 HydrophobicContact CZ-CD1 4.49Å; F128-L133 HydrophobicContact CE1-CD1 4.13Å; F128-L133 HydrophobicContact CE1-CD2 4.41Å; F128-L133 HydrophobicContact CE1-CG 4.04Å; F128-L133 HydrophobicContact CZ-CD2 4.28Å; F128-L133 HydrophobicContact CZ-CG 4.34Å; F128-F204 AromaticContact CD1-CD1 3.96Å; F128-F204 HydrophobicContact CD1-CD1 3.96Å; F128-F204 HydrophobicContact CD1-CE1 4.01Å; F128-F204 AromaticContact CE1-CD1 3.72Å; F128-F204 HydrophobicContact CE1-CD1 3.72Å; F128-F204 AromaticContact CE1-CE1 3.52Å; F128-F204 HydrophobicContact CE1-CE1 3.52Å; F128-F204 HydrophobicContact CE2-CE1 4.21Å; F128-F204 HydrophobicContact CZ-CD1 4.32Å; F128-F204 AromaticContact CZ-CE1 3.65Å; F128-F204 HydrophobicContact CZ-CE1 3.65Å; F128-A207 HydrophobicContact CB-CB 4.41Å; F128-A207 HydrophobicContact CD1-CB 4.38Å; F128-N211 PolarHBondContact O-ND2 3.33Å; F128-N211 PolarHBondContact O-OD1 3.27Å
129	D	96.4	Very high	94.4	Very high	67 Å²	67	49.7 Å²	49.7	36%	0.358	26%	0.26	S	S	.	.			trans	-63.1	109.1	173.9	172.1	10.2	0	0	0	111.4	I127 S131 L132	I127-D129 PolarHBondContact O-N 3.48Å; D129-S131 VanDerWaalsContact C-N 3.28Å; D129-S131 PolarHBondContact O-N 3.47Å; D129-S131 WeakPolarHBondContact OD1-CB 3.23Å; D129-S131 PolarHBondContact OD1-N 2.72Å; D129-S131 PolarHBondContact OD1-OG 2.73Å; D129-S131 PolarHBondContact OD2-OG 2.96Å; D129-L132 HydrophobicContact CB-CD1 4.08Å; D129-L132 HydrophobicContact CB-CG 4.1Å; D129-L132 WeakPolarHBondContact O-CB 3.33Å; D129-L132 WeakPolarHBondContact O-CG 3.38Å; D129-L132 PolarHBondContact O-N 3.47Å
130	C	97.1	Very high	94.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-71.9	-16.2	-179.8	-77.2	0	0	0	0	114.1	F128 L132 L133 L208 N211 V268 L269	F128-C130 PolarHBondContact O-N 3.48Å; F128-C130 VanDerWaalsContact O-N 3.16Å; C130-L132 PolarHBondContact O-N 3.5Å; C130-L133 WeakPolarHBondContact O-CB 3.47Å; C130-L133 PolarHBondContact O-N 3.09Å; C130-L208 HydrophobicContact CB-CD2 4.1Å; C130-N211 HydrophobicContact CB-CB 4.27Å; C130-N211 PolarHBondContact N-OD1 2.78Å; C130-V268 HydrophobicContact CB-CG1 3.62Å; C130-L269 HydrophobicContact CB-CD2 4.3Å; C130-L269 WeakPolarHBondContact O-CD2 3.43Å
131	S	95.3	Very high	94.2	Very high	28 Å²	28	46.4 Å²	46.4	20%	0.196	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-62.5	-25.3	175.1	79.5	0	0	0	0	111.9	D129 L133 G134 V268	D129-S131 VanDerWaalsContact C-N 3.28Å; D129-S131 PolarHBondContact O-N 3.47Å; D129-S131 WeakPolarHBondContact OD1-CB 3.23Å; D129-S131 PolarHBondContact OD1-N 2.72Å; D129-S131 PolarHBondContact OD1-OG 2.73Å; D129-S131 PolarHBondContact OD2-OG 2.96Å; S131-L133 PolarHBondContact O-N 3.18Å; S131-L133 VanDerWaalsContact O-N 3.09Å; S131-G134 PolarHBondContact O-N 3.14Å; S131-V268 WeakPolarHBondContact CA-O 3.47Å; S131-V268 PolarHBondContact N-O 3.49Å
132	L	93.8	Very high	94	Very high	98 Å²	98	45.4 Å²	45.4	51%	0.513	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-62.1	-14.6	173.6	-57.8	178.3	0	0	0	113.8	F128 D129 C130	F128-L132 HydrophobicContact CE2-CD1 4.41Å; F128-L132 HydrophobicContact CZ-CB 4.34Å; F128-L132 HydrophobicContact CZ-CD1 4.49Å; D129-L132 HydrophobicContact CB-CD1 4.08Å; D129-L132 HydrophobicContact CB-CG 4.1Å; D129-L132 WeakPolarHBondContact O-CB 3.33Å; D129-L132 WeakPolarHBondContact O-CG 3.38Å; D129-L132 PolarHBondContact O-N 3.47Å; C130-L132 PolarHBondContact O-N 3.5Å
133	L	94.2	Very high	93.8	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.052	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-94.1	-7	172.4	-56	178.4	0	0	0	113.1	F128 C130 S131 D135 R136 L198 V199 F204 L269	F128-L133 HydrophobicContact CE1-CD1 4.13Å; F128-L133 HydrophobicContact CE1-CD2 4.41Å; F128-L133 HydrophobicContact CE1-CG 4.04Å; F128-L133 HydrophobicContact CZ-CD2 4.28Å; F128-L133 HydrophobicContact CZ-CG 4.34Å; C130-L133 WeakPolarHBondContact O-CB 3.47Å; C130-L133 PolarHBondContact O-N 3.09Å; S131-L133 PolarHBondContact O-N 3.18Å; S131-L133 VanDerWaalsContact O-N 3.09Å; L133-D135 PolarHBondContact O-N 3.14Å; L133-D135 VanDerWaalsContact O-N 3.1Å; L133-R136 WeakPolarHBondContact O-CB 3.25Å; L133-R136 PolarHBondContact O-N 3.03Å; L133-L198 HydrophobicContact CB-CD1 4.09Å; L133-L198 HydrophobicContact CD1-CD1 4.23Å; L133-V199 HydrophobicContact CD2-CG1 4.26Å; L133-F204 HydrophobicContact CD1-CB 4.24Å; L133-F204 HydrophobicContact CD1-CD1 3.72Å; L133-F204 HydrophobicContact CD1-CD2 4.32Å; L133-F204 HydrophobicContact CD1-CE1 4.09Å; L133-F204 HydrophobicContact CD1-CG 3.84Å; L133-F204 HydrophobicContact CD2-CE1 4.27Å; L133-F204 HydrophobicContact CD2-CZ 4.27Å; L133-L269 HydrophobicContact CB-CD2 4.43Å
134	G	91.9	Very high	93.7	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-31.6	-175.9	0	0	0	0	0	114.2	S131 L269 R271	S131-G134 PolarHBondContact O-N 3.14Å; G134-L269 WeakPolarHBondContact CA-O 3.35Å; G134-R271 WeakPolarHBondContact O-CD 3.37Å; G134-R271 PolarHBondContact O-NH1 3.13Å
135	D	91	Very high	93.8	Very high	27 Å²	27	40.3 Å²	40.3	14%	0.144	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	3.7	177.2	99.4	-39.7	0	0	0	115.1	L133 R373	L133-D135 PolarHBondContact O-N 3.14Å; L133-D135 VanDerWaalsContact O-N 3.1Å; D135-R373 WeakPolarHBondContact O-CB 3.39Å; D135-R373 VanDerWaalsContact OD2-CD 3.3Å; D135-R373 WeakPolarHBondContact OD2-CD 3.22Å; D135-R373 IonicContact OD2-CZ 3.94Å; D135-R373 IonicContact OD2-NE 3.83Å; D135-R373 IonicContact OD2-NH1 2.89Å; D135-R373 PolarHBondContact OD2-NH1 2.95Å
136	R	93.8	Very high	93.6	Very high	68 Å²	68	42.9 Å²	42.9	26%	0.257	23%	0.228	S	C	.	.			trans	-107.3	135.8	-169.5	-58.4	-61.7	167.5	148.8	1.9	115.2	L133 L198 R271 R373 S374	L133-R136 WeakPolarHBondContact O-CB 3.25Å; L133-R136 PolarHBondContact O-N 3.03Å; R136-L198 VanDerWaalsContact O-CD2 3.29Å; R136-L198 WeakPolarHBondContact O-CD2 2.82Å; R136-R271 PolarHBondContact O-NH1 3.4Å; R136-R373 WeakPolarHBondContact CA-O 3.25Å; R136-R373 VanDerWaalsContact CD-O 3.32Å; R136-R373 WeakPolarHBondContact CD-O 3.11Å; R136-S374 PolarHBondContact NH1-O 3.21Å; R136-S374 VanDerWaalsContact NH1-O 3.12Å
137	A	94.4	Very high	93.5	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.008	21%	0.206	C	C	.	.			trans	-137.3	138.5	175.8	0	0	0	0	0	110.8	L198 G371 R373 S374	A137-L198 CarbonylContact C-O 3.08Å; A137-G371 VanDerWaalsContact CB-N 3.26Å; A137-R373 PolarHBondContact N-O 2.75Å; A137-R373 VanDerWaalsContact N-O 3.12Å; A137-S374 VanDerWaalsContact O-CA 3.25Å; A137-S374 WeakPolarHBondContact O-CA 3.43Å
138	F	95.5	Very high	93	Very high	22 Å²	22	39.2 Å²	39.2	10%	0.096	21%	0.208	C	C	.	.			trans	-83.5	134.7	172.5	-179.1	-119.8	0	0	0	110.9	I140 Y150 R196 A197 L198 G200 V329	F138-I140 HydrophobicContact CE1-CB 3.7Å; F138-I140 HydrophobicContact CE1-CD1 4.48Å; F138-I140 HydrophobicContact CE1-CG1 4.11Å; F138-I140 HydrophobicContact CZ-CB 3.9Å; F138-I140 HydrophobicContact CZ-CG1 4.05Å; F138-Y150 HydrophobicContact CZ-CE1 4.39Å; F138-R196 VanDerWaalsContact CB-O 3.28Å; F138-R196 WeakPolarHBondContact CB-O 3.23Å; F138-A197 PolarHBondContact N-O 3.22Å; F138-L198 PolarHBondContact N-O 2.57Å; F138-G200 VanDerWaalsContact CD1-CA 3.47Å; F138-G200 VanDerWaalsContact CD2-CA 3.4Å; F138-V329 HydrophobicContact CD1-CB 4.29Å; F138-V329 HydrophobicContact CD1-CG1 4.22Å; F138-V329 HydrophobicContact CD1-CG2 4.34Å
139	L	94.8	Very high	92.6	Very high	29 Å²	29	38 Å²	38	15%	0.152	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.5	164.8	-61.1	176	0	0	0	107.1	G330 K332 L336	L139-G330 CarbonylContact C-O 3.44Å; L139-G330 VanDerWaalsContact CA-O 3.23Å; L139-G330 WeakPolarHBondContact CA-O 3.17Å; L139-K332 HydrophobicContact CB-CB 3.96Å; L139-K332 HydrophobicContact CB-CG 4.18Å; L139-L336 HydrophobicContact CD1-CD2 4.27Å; L139-L336 HydrophobicContact CD2-CD2 4.32Å
140	I	94.3	Very high	92.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	135.9	-177.1	-168	166	0	0	0	111	F138 H144 V145 Y150 I179 V181 V329 G330 I331 K332	F138-I140 HydrophobicContact CE1-CB 3.7Å; F138-I140 HydrophobicContact CE1-CD1 4.48Å; F138-I140 HydrophobicContact CE1-CG1 4.11Å; F138-I140 HydrophobicContact CZ-CB 3.9Å; F138-I140 HydrophobicContact CZ-CG1 4.05Å; I140-H144 HydrophobicContact CD1-CB 4.38Å; I140-H144 HydrophobicContact CG1-CB 4.14Å; I140-V145 HydrophobicContact CG2-CG2 3.89Å; I140-Y150 HydrophobicContact CD1-CD1 4.41Å; I140-Y150 HydrophobicContact CD1-CE1 4.35Å; I140-Y150 HydrophobicContact CG1-CE1 4.48Å; I140-I179 HydrophobicContact CG2-CD1 3.93Å; I140-V181 HydrophobicContact CD1-CG2 4.02Å; I140-V329 HydrophobicContact CB-CG2 4.35Å; I140-V329 HydrophobicContact CG2-CG2 4.18Å; I140-G330 PolarHBondContact N-O 3.22Å; I140-I331 HydrophobicContact CG2-CG1 4.18Å; I140-K332 WeakPolarHBondContact O-CB 3.23Å; I140-K332 PolarHBondContact O-N 3.06Å
141	E	92.8	Very high	92.2	Very high	51 Å²	51	35.3 Å²	35.3	24%	0.238	19%	0.189	C	C	.	.			trans	-63.3	137.5	170.9	-58.9	-66.9	176.7	0	0	110.1	D143 H144 V145 K332	E141-D143 PolarHBondContact O-N 2.79Å; E141-H144 PolarHBondContact O-N 3.01Å; E141-V145 PolarHBondContact O-N 3.01Å; E141-K332 VanDerWaalsContact CD-CD 3.41Å; E141-K332 VanDerWaalsContact OE1-CD 3.27Å; E141-K332 WeakPolarHBondContact OE1-CD 3.46Å; E141-K332 WeakPolarHBondContact OE1-CE 3.44Å; E141-K332 IonicContact OE1-NZ 2.68Å; E141-K332 PolarHBondContact OE1-NZ 3.4Å; E141-K332 WeakPolarHBondContact OE2-CD 3.36Å; E141-K332 IonicContact OE2-NZ 3.98Å
142	P	91.6	Very high	92.2	Very high	61 Å²	61	36.2 Å²	36.2	40%	0.396	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-49.3	-43.5	178.1	-29.9	36.1	0	0	0	113.8	H144 V145 I331	P142-H144 PolarHBondContact O-N 3.4Å; P142-H144 VanDerWaalsContact O-N 3.16Å; P142-V145 VanDerWaalsContact O-CB 3.26Å; P142-V145 WeakPolarHBondContact O-CB 3.37Å; P142-V145 WeakPolarHBondContact O-CG2 3.25Å; P142-V145 PolarHBondContact O-N 3.19Å; P142-I331 HydrophobicContact CG-CG2 4.1Å
143	D	88.2	Confident	92.1	Very high	136 Å²	136	31.6 Å²	31.6	73%	0.727	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-61.9	-25.9	-178.3	-50.4	-23.1	0	0	0	113	E141	E141-D143 PolarHBondContact O-N 2.79Å
144	H	91.6	Very high	91.6	Very high	28 Å²	28	39.2 Å²	39.2	13%	0.13	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-93.5	-4.7	-179.7	-65.4	126.2	0	0	0	113.6	V89 I140 E141 P142 T146 T147 Y150 G151	V89-H144 WeakPolarHBondContact CG1-NE2 3.31Å; I140-H144 HydrophobicContact CD1-CB 4.38Å; I140-H144 HydrophobicContact CG1-CB 4.14Å; E141-H144 PolarHBondContact O-N 3.01Å; P142-H144 PolarHBondContact O-N 3.4Å; P142-H144 VanDerWaalsContact O-N 3.16Å; H144-T146 VanDerWaalsContact C-N 3.27Å; H144-T146 PolarHBondContact O-N 3.29Å; H144-T147 WeakPolarHBondContact CA-OG1 3.42Å; H144-T147 PolarHBondContact O-N 3.23Å; H144-T147 PolarHBondContact O-OG1 3.23Å; H144-Y150 HydrophobicContact CB-CD1 3.91Å; H144-Y150 HydrophobicContact CB-CE1 3.87Å; H144-G151 VanDerWaalsContact O-CA 3.26Å; H144-G151 WeakPolarHBondContact O-CA 3.43Å
145	V	92.9	Very high	90.9	Very high	16 Å²	16	42.7 Å²	42.7	10%	0.097	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-32.8	-177.3	169.8	0	0	0	0	112.3	I140 E141 P142 K152 I179 I331	I140-V145 HydrophobicContact CG2-CG2 3.89Å; E141-V145 PolarHBondContact O-N 3.01Å; P142-V145 VanDerWaalsContact O-CB 3.26Å; P142-V145 WeakPolarHBondContact O-CB 3.37Å; P142-V145 WeakPolarHBondContact O-CG2 3.25Å; P142-V145 PolarHBondContact O-N 3.19Å; V145-K152 HydrophobicContact CG1-CD 4.12Å; V145-K152 HydrophobicContact CG1-CG 3.98Å; V145-K152 PolarHBondContact O-N 3.26Å; V145-I179 HydrophobicContact CB-CD1 4.44Å; V145-I179 HydrophobicContact CG1-CD1 3.82Å; V145-I179 HydrophobicContact CG2-CD1 4.08Å; V145-I331 HydrophobicContact CG2-CD1 4.36Å
146	T	89.9	Confident	90.5	Very high	95 Å²	95	42.8 Å²	42.8	58%	0.583	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-13.2	-179.5	58.6	0	0	0	0	113.5	H144 M148 R154	H144-T146 VanDerWaalsContact C-N 3.27Å; H144-T146 PolarHBondContact O-N 3.29Å; T146-M148 PolarHBondContact O-N 2.92Å; T146-R154 PolarHBondContact O-NH2 3.42Å
147	T	90.3	Very high	90.3	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.037	21%	0.212	C	C	.	.			trans	-62.9	119.5	-171.4	-50.5	0	0	0	0	112.2	Q45 V87 V89 H144 G149 Y150 G151	Q45-T147 HydrophobicContact CG-CG2 3.84Å; V87-T147 HydrophobicContact CG1-CG2 4.29Å; V89-T147 HydrophobicContact CG2-CG2 3.7Å; H144-T147 WeakPolarHBondContact CA-OG1 3.42Å; H144-T147 PolarHBondContact O-N 3.23Å; H144-T147 PolarHBondContact O-OG1 3.23Å; T147-G149 PolarHBondContact O-N 3.28Å; T147-Y150 PolarHBondContact O-N 3.19Å; T147-Y150 VanDerWaalsContact O-N 3.15Å; T147-G151 PolarHBondContact O-N 3.25Å
148	M	86.9	Confident	90.1	Very high	48 Å²	48	42.5 Å²	42.5	24%	0.236	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	134.9	177.5	-171.9	172.6	74.3	0	0	111.1	T84 V87 T146 Y150	T84-M148 HydrophobicContact CG2-CG 3.84Å; V87-M148 WeakPolarHBondContact CG1-O 3.48Å; V87-M148 HydrophobicContact CG2-CE 4.35Å; T146-M148 PolarHBondContact O-N 2.92Å; M148-Y150 PolarHBondContact O-N 3.41Å
149	G	87.6	Confident	90	Very high	5 Å²	5	48.3 Å²	48.3	5%	0.052	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-18.3	-176.1	0	0	0	0	0	115.7	N94 T147 R196	N94-G149 PolarHBondContact ND2-O 2.81Å; T147-G149 PolarHBondContact O-N 3.28Å; G149-R196 PolarHBondContact O-NH1 3.43Å
150	Y	92.8	Very high	90	Very high	11 Å²	11	49.3 Å²	49.3	4%	0.043	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-38.6	-172	-172.4	-91.7	0	0	0	115.3	V89 F138 I140 H144 T147 M148 V181 R196 R201	V89-Y150 HydrophobicContact CB-CD1 4.3Å; V89-Y150 HydrophobicContact CB-CD2 3.86Å; V89-Y150 HydrophobicContact CB-CE2 4.18Å; V89-Y150 HydrophobicContact CB-CG 3.93Å; V89-Y150 HydrophobicContact CG1-CD1 3.95Å; V89-Y150 HydrophobicContact CG1-CD2 4.24Å; V89-Y150 HydrophobicContact CG1-CE1 3.91Å; V89-Y150 HydrophobicContact CG1-CE2 4.22Å; V89-Y150 HydrophobicContact CG1-CG 4.1Å; V89-Y150 HydrophobicContact CG2-CD1 4.09Å; V89-Y150 HydrophobicContact CG2-CD2 3.95Å; V89-Y150 HydrophobicContact CG2-CG 3.59Å; F138-Y150 HydrophobicContact CZ-CE1 4.39Å; I140-Y150 HydrophobicContact CD1-CD1 4.41Å; I140-Y150 HydrophobicContact CD1-CE1 4.35Å; I140-Y150 HydrophobicContact CG1-CE1 4.48Å; H144-Y150 HydrophobicContact CB-CD1 3.91Å; H144-Y150 HydrophobicContact CB-CE1 3.87Å; T147-Y150 PolarHBondContact O-N 3.19Å; T147-Y150 VanDerWaalsContact O-N 3.15Å; M148-Y150 PolarHBondContact O-N 3.41Å; Y150-V181 WeakPolarHBondContact O-CG1 3.36Å; Y150-R196 PolarHBondContact O-NH2 2.92Å; Y150-R201 VanDerWaalsContact CE2-CZ 3.48Å
151	G	93.6	Very high	90	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-92.7	-141.7	178.3	0	0	0	0	0	112.3	H144 T147 D153 V181 H182	H144-G151 VanDerWaalsContact O-CA 3.26Å; H144-G151 WeakPolarHBondContact O-CA 3.43Å; T147-G151 PolarHBondContact O-N 3.25Å; G151-D153 PolarHBondContact O-N 3.1Å; G151-V181 CarbonylContact O-C 3.59Å; G151-V181 VanDerWaalsContact O-CA 3.32Å; G151-V181 WeakPolarHBondContact O-CA 3.37Å; G151-H182 PolarHBondContact O-N 3.15Å
152	K	94.4	Very high	90.1	Very high	47 Å²	47	51.6 Å²	51.6	20%	0.204	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-50.3	128.7	-178.6	-75.7	-172.8	-174.8	-174.3	0	111.5	V145 L158 E176 I179 P180	V145-K152 HydrophobicContact CG1-CD 4.12Å; V145-K152 HydrophobicContact CG1-CG 3.98Å; V145-K152 PolarHBondContact O-N 3.26Å; K152-L158 HydrophobicContact CB-CD1 4.35Å; K152-L158 HydrophobicContact CD-CD1 4.36Å; K152-L158 HydrophobicContact CD-CD2 4.3Å; K152-E176 WeakPolarHBondContact CE-OE2 3.34Å; K152-E176 IonicContact NZ-OE1 3.67Å; K152-E176 PolarHBondContact NZ-OE1 3.11Å; K152-E176 IonicContact NZ-OE2 3.83Å; K152-E176 PolarHBondContact NZ-OE2 3.26Å; K152-I179 HydrophobicContact CG-CB 4.39Å; K152-I179 HydrophobicContact CG-CD1 3.86Å; K152-P180 VanDerWaalsContact CA-O 3.3Å; K152-P180 WeakPolarHBondContact CA-O 3.11Å
153	D	92.1	Very high	90.3	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.279	C	S	.	.			trans	-64	145.5	173	176.8	52.4	0	0	0	111.3	G151 S155 S157 L158 P180 H182 V326	G151-D153 PolarHBondContact O-N 3.1Å; D153-S155 PolarHBondContact OD1-N 3.3Å; D153-S155 WeakPolarHBondContact OD2-CB 2.85Å; D153-S155 PolarHBondContact OD2-N 2.89Å; D153-S155 PolarHBondContact OD2-OG 2.71Å; D153-S157 WeakPolarHBondContact CB-OG 3.38Å; D153-S157 WeakPolarHBondContact OD2-CB 2.96Å; D153-S157 PolarHBondContact OD2-OG 3.37Å; D153-L158 VanDerWaalsContact O-CD1 3.3Å; D153-L158 WeakPolarHBondContact O-CD1 3.29Å; D153-P180 PolarHBondContact N-O 3.05Å; D153-H182 HydrophobicContact CB-CB 4.31Å; D153-H182 IonicContact OD1-CE1 3.94Å; D153-H182 IonicContact OD1-CG 3.05Å; D153-H182 IonicContact OD1-ND1 3.05Å; D153-H182 PolarHBondContact OD1-ND1 2.82Å; D153-V326 HydrophobicContact CB-CG1 4.41Å
154	R	84.1	Confident	90.7	Very high	170 Å²	170	47.2 Å²	47.2	64%	0.642	24%	0.244	S	C	*	.			trans	-123	9.2	-178.8	-53.7	-170.8	-173.3	-155.1	4.5	112.9	T146 G156	T146-R154 PolarHBondContact O-NH2 3.42Å; R154-G156 PolarHBondContact O-N 2.65Å
155	S	76.7	Confident	90.9	Very high	75 Å²	75	47 Å²	47	52%	0.524	24%	0.244	S	C	.	.	S	Bend	trans	-70.9	-16.3	179.6	73.6	0	0	0	0	114.3	D153	D153-S155 PolarHBondContact OD1-N 3.3Å; D153-S155 WeakPolarHBondContact OD2-CB 2.85Å; D153-S155 PolarHBondContact OD2-N 2.89Å; D153-S155 PolarHBondContact OD2-OG 2.71Å
156	G	83.2	Confident	91	Very high	28 Å²	28	49 Å²	49	29%	0.289	25%	0.252	S	S	.	.	S	Bend	trans	133.5	-14.9	-175.2	0	0	0	0	0	113.6	R154 L158 I159 Y160	R154-G156 PolarHBondContact O-N 2.65Å; G156-L158 VanDerWaalsContact C-N 3.31Å; G156-L158 PolarHBondContact O-N 3.19Å; G156-I159 WeakPolarHBondContact O-CB 3.27Å; G156-I159 PolarHBondContact O-N 2.79Å; G156-Y160 PolarHBondContact O-N 3.47Å
157	S	88.8	Confident	91.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-53.3	-40.2	-177.9	59.9	0	0	0	0	114.5	D153 I159 Y160 L161 S318	D153-S157 WeakPolarHBondContact CB-OG 3.38Å; D153-S157 WeakPolarHBondContact OD2-CB 2.96Å; D153-S157 PolarHBondContact OD2-OG 3.37Å; S157-I159 VanDerWaalsContact C-N 3.25Å; S157-I159 PolarHBondContact O-N 2.7Å; S157-Y160 PolarHBondContact O-N 2.73Å; S157-L161 VanDerWaalsContact O-CB 3.28Å; S157-L161 WeakPolarHBondContact O-CB 3.12Å; S157-L161 WeakPolarHBondContact O-CG 3.16Å; S157-L161 PolarHBondContact O-N 2.96Å; S157-S318 VanDerWaalsContact CA-O 3.32Å; S157-S318 WeakPolarHBondContact CA-O 3.35Å; S157-S318 PolarHBondContact N-O 3.14Å
158	L	90.3	Very high	91.5	Very high	64 Å²	64	46 Å²	46	34%	0.335	23%	0.231	S	C	.	.	H	α-helix	trans	-60.7	-31.3	175.6	-71.8	171.8	0	0	0	113.5	K152 D153 G156 H162 P180	K152-L158 HydrophobicContact CB-CD1 4.35Å; K152-L158 HydrophobicContact CD-CD1 4.36Å; K152-L158 HydrophobicContact CD-CD2 4.3Å; D153-L158 VanDerWaalsContact O-CD1 3.3Å; D153-L158 WeakPolarHBondContact O-CD1 3.29Å; G156-L158 VanDerWaalsContact C-N 3.31Å; G156-L158 PolarHBondContact O-N 3.19Å; L158-H162 PolarHBondContact O-N 3.06Å; L158-P180 HydrophobicContact CD2-CG 3.55Å; L158-P180 HydrophobicContact CG-CG 4.13Å
159	I	93.1	Very high	91.9	Very high	143 Å²	143	46.4 Å²	46.4	73%	0.733	23%	0.232	S	C	*	.	H	α-helix	trans	-81.5	-44.5	176.5	-56.5	174.7	0	0	0	109.2	G156 S157 H162	G156-I159 WeakPolarHBondContact O-CB 3.27Å; G156-I159 PolarHBondContact O-N 2.79Å; S157-I159 VanDerWaalsContact C-N 3.25Å; S157-I159 PolarHBondContact O-N 2.7Å; I159-H162 WeakPolarHBondContact O-CB 3.24Å; I159-H162 PolarHBondContact O-N 2.68Å
160	Y	95	Very high	92.2	Very high	50 Å²	50	51.3 Å²	51.3	20%	0.196	25%	0.252	C	S	.	.	H	α-helix	trans	-66.8	-39.5	-177.1	-174.2	-118.6	0	0	0	113.6	G156 S157 D277 S278 W317 S318 S319 S320	G156-Y160 PolarHBondContact O-N 3.47Å; S157-Y160 PolarHBondContact O-N 2.73Å; Y160-D277 VanDerWaalsContact CE1-OD1 3.25Å; Y160-D277 WeakPolarHBondContact CE1-OD1 3.45Å; Y160-D277 VanDerWaalsContact CZ-OD1 3.29Å; Y160-D277 PolarHBondContact OH-OD1 3.28Å; Y160-S278 VanDerWaalsContact O-CB 3.31Å; Y160-S278 WeakPolarHBondContact O-CB 3.35Å; Y160-S278 PolarHBondContact OH-OG 3.42Å; Y160-W317 HydrophobicContact CE1-CB 4.26Å; Y160-S318 WeakPolarHBondContact CB-O 3.08Å; Y160-S319 WeakPolarHBondContact CE1-O 3.17Å; Y160-S319 VanDerWaalsContact CZ-C 3.43Å; Y160-S320 VanDerWaalsContact CE2-N 3.31Å; Y160-S320 VanDerWaalsContact CZ-N 3.28Å; Y160-S320 WeakPolarHBondContact OH-CA 3.42Å
161	L	95.2	Very high	92.2	Very high	2 Å²	2	53 Å²	53	1%	0.01	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	3.1	-179.3	-58.8	174.1	0	0	0	113	S157 D163 T164 L165 P180 A316 V326 L328	S157-L161 VanDerWaalsContact O-CB 3.28Å; S157-L161 WeakPolarHBondContact O-CB 3.12Å; S157-L161 WeakPolarHBondContact O-CG 3.16Å; S157-L161 PolarHBondContact O-N 2.96Å; L161-D163 PolarHBondContact O-N 3.4Å; L161-T164 WeakPolarHBondContact O-CB 3.13Å; L161-T164 PolarHBondContact O-N 2.75Å; L161-L165 HydrophobicContact CB-CD1 3.83Å; L161-L165 HydrophobicContact CB-CG 4.02Å; L161-L165 WeakPolarHBondContact O-CG 2.92Å; L161-L165 PolarHBondContact O-N 2.78Å; L161-P180 HydrophobicContact CD1-CB 4.44Å; L161-A316 HydrophobicContact CD1-CB 3.6Å; L161-A316 HydrophobicContact CD2-CB 4.12Å; L161-V326 HydrophobicContact CD1-CG2 4.43Å; L161-L328 HydrophobicContact CD1-CD2 4.37Å
162	H	95	Very high	92.2	Very high	97 Å²	97	54 Å²	54	45%	0.449	27%	0.274	S	S	.	.	H	α-helix	trans	-44.9	-56.3	-172.8	174.5	-91.6	0	0	0	113.1	L158 I159 T164 L165 E166	L158-H162 PolarHBondContact O-N 3.06Å; I159-H162 WeakPolarHBondContact O-CB 3.24Å; I159-H162 PolarHBondContact O-N 2.68Å; H162-T164 VanDerWaalsContact C-N 3.33Å; H162-T164 PolarHBondContact O-N 2.88Å; H162-L165 PolarHBondContact O-N 2.58Å; H162-E166 PolarHBondContact O-N 2.91Å
163	D	95.1	Very high	92.1	Very high	104 Å²	104	54.6 Å²	54.6	56%	0.556	29%	0.292	S	S	*	.	H	α-helix	trans	-68.9	-32.6	-175.5	-61.8	-12.8	0	0	0	112.5	L161 E167 M279	L161-D163 PolarHBondContact O-N 3.4Å; D163-E167 WeakPolarHBondContact O-CB 3.48Å; D163-E167 PolarHBondContact O-N 3.42Å; D163-E167 VanDerWaalsContact O-N 3.16Å; D163-M279 HydrophobicContact CB-CB 4.2Å; D163-M279 HydrophobicContact CB-CG 3.71Å
164	T	95.6	Very high	92.1	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.012	32%	0.321	C	S	.	.	H	α-helix	trans	-67	-43.9	174.3	-54.8	0	0	0	0	110.3	L161 H162 E167 I168 L276 D277 M279 M282	L161-T164 WeakPolarHBondContact O-CB 3.13Å; L161-T164 PolarHBondContact O-N 2.75Å; H162-T164 VanDerWaalsContact C-N 3.33Å; H162-T164 PolarHBondContact O-N 2.88Å; T164-E167 PolarHBondContact O-N 3.46Å; T164-I168 HydrophobicContact CG2-CD1 4.32Å; T164-I168 WeakPolarHBondContact O-CG1 3.38Å; T164-I168 PolarHBondContact O-N 3.41Å; T164-I168 VanDerWaalsContact O-N 3.08Å; T164-L276 HydrophobicContact CG2-CD1 4.28Å; T164-D277 PolarHBondContact OG1-O 3.48Å; T164-M279 PolarHBondContact OG1-N 3.26Å; T164-M282 HydrophobicContact CG2-CE 3.77Å
165	L	95.8	Very high	92.4	Very high	24 Å²	24	60.4 Å²	60.4	13%	0.126	32%	0.323	C	S	.	.	H	α-helix	trans	-70.9	-41.4	-179.8	-67.2	170.7	0	0	0	112.2	L161 H162 E167 I168 K169 P180 L328	L161-L165 HydrophobicContact CB-CD1 3.83Å; L161-L165 HydrophobicContact CB-CG 4.02Å; L161-L165 WeakPolarHBondContact O-CG 2.92Å; L161-L165 PolarHBondContact O-N 2.78Å; H162-L165 PolarHBondContact O-N 2.58Å; L165-E167 VanDerWaalsContact C-N 3.27Å; L165-E167 PolarHBondContact O-N 3.23Å; L165-I168 PolarHBondContact O-N 3.46Å; L165-K169 VanDerWaalsContact O-CB 3.25Å; L165-K169 WeakPolarHBondContact O-CB 3.48Å; L165-K169 PolarHBondContact O-N 2.83Å; L165-P180 HydrophobicContact CD1-CG 4.07Å; L165-L328 HydrophobicContact CD2-CD2 4.12Å
166	E	96	Very high	93.1	Very high	57 Å²	57	61 Å²	61	27%	0.266	32%	0.317	S	S	.	.	H	α-helix	trans	-62.4	-34	173.5	-80.4	-60.7	133.4	0	0	112	H162 K169 K170	H162-E166 PolarHBondContact O-N 2.91Å; E166-K169 PolarHBondContact O-N 3.32Å; E166-K169 WeakPolarHBondContact OE1-CD 3.24Å; E166-K169 IonicContact OE1-NZ 3.65Å; E166-K169 PolarHBondContact OE1-NZ 3.22Å; E166-K169 IonicContact OE2-NZ 3.73Å; E166-K169 PolarHBondContact OE2-NZ 3.17Å; E166-K170 WeakPolarHBondContact O-CD 3.05Å; E166-K170 VanDerWaalsContact O-CG 3.23Å; E166-K170 WeakPolarHBondContact O-CG 2.87Å; E166-K170 PolarHBondContact O-N 2.76Å
167	E	94.6	Very high	93.5	Very high	34 Å²	34	59.9 Å²	59.9	16%	0.159	31%	0.305	C	S	.	.	H	α-helix	trans	-74.7	-34.9	177.1	-162.9	66.2	-92.9	0	0	113.1	D163 T164 L165 K170 A171 R342 L343	D163-E167 WeakPolarHBondContact O-CB 3.48Å; D163-E167 PolarHBondContact O-N 3.42Å; D163-E167 VanDerWaalsContact O-N 3.16Å; T164-E167 PolarHBondContact O-N 3.46Å; L165-E167 VanDerWaalsContact C-N 3.27Å; L165-E167 PolarHBondContact O-N 3.23Å; E167-K170 WeakPolarHBondContact OE1-CD 3.28Å; E167-A171 PolarHBondContact O-N 3.18Å; E167-A171 VanDerWaalsContact O-N 3.16Å; E167-R342 IonicContact OE1-CZ 3.16Å; E167-R342 IonicContact OE1-NH1 2.72Å; E167-R342 PolarHBondContact OE1-NH1 3.45Å; E167-R342 IonicContact OE1-NH2 3.4Å; E167-R342 PolarHBondContact OE1-NH2 3.44Å; E167-R342 IonicContact OE2-CZ 2.73Å; E167-R342 IonicContact OE2-NH1 2.85Å; E167-R342 PolarHBondContact OE2-NH1 3.02Å; E167-R342 IonicContact OE2-NH2 2.68Å; E167-L343 HydrophobicContact CB-CD1 4.01Å; E167-L343 HydrophobicContact CG-CD1 4.02Å
168	I	95.3	Very high	93.7	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.015	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-46.9	168.2	-67.3	169	0	0	0	110	T164 L165 K170 A171 N172 L178 L276 L339 L343	T164-I168 HydrophobicContact CG2-CD1 4.32Å; T164-I168 WeakPolarHBondContact O-CG1 3.38Å; T164-I168 PolarHBondContact O-N 3.41Å; T164-I168 VanDerWaalsContact O-N 3.08Å; L165-I168 PolarHBondContact O-N 3.46Å; I168-K170 PolarHBondContact O-N 2.98Å; I168-A171 WeakPolarHBondContact O-CB 3.32Å; I168-A171 PolarHBondContact O-N 3.42Å; I168-A171 VanDerWaalsContact O-N 3.13Å; I168-N172 PolarHBondContact O-N 2.7Å; I168-N172 PolarHBondContact O-ND2 3.01Å; I168-L178 HydrophobicContact CD1-CD2 3.87Å; I168-L178 HydrophobicContact CG2-CB 4.27Å; I168-L178 HydrophobicContact CG2-CD2 4.26Å; I168-L276 HydrophobicContact CD1-CD1 4.01Å; I168-L339 HydrophobicContact CD1-CD1 3.79Å; I168-L339 HydrophobicContact CG1-CD1 3.95Å; I168-L343 HydrophobicContact CG1-CD1 3.73Å
169	K	95.3	Very high	94	Very high	58 Å²	58	57.3 Å²	57.3	25%	0.252	29%	0.291	S	S	.	.	H	α-helix	trans	-56.7	-44.4	177.3	171.1	-179.9	164.5	-144.4	0	112.2	L165 E166 N172 G173 N174 R175	L165-K169 VanDerWaalsContact O-CB 3.25Å; L165-K169 WeakPolarHBondContact O-CB 3.48Å; L165-K169 PolarHBondContact O-N 2.83Å; E166-K169 PolarHBondContact O-N 3.32Å; E166-K169 WeakPolarHBondContact OE1-CD 3.24Å; E166-K169 IonicContact OE1-NZ 3.65Å; E166-K169 PolarHBondContact OE1-NZ 3.22Å; E166-K169 IonicContact OE2-NZ 3.73Å; E166-K169 PolarHBondContact OE2-NZ 3.17Å; K169-N172 CarbonylContact O-C 3.54Å; K169-N172 PolarHBondContact O-N 3.49Å; K169-N172 VanDerWaalsContact O-N 3.15Å; K169-G173 PolarHBondContact O-N 3.28Å; K169-N174 WeakPolarHBondContact O-CA 3.47Å; K169-N174 PolarHBondContact O-N 2.98Å; K169-R175 PolarHBondContact O-N 2.99Å
170	K	94.4	Very high	94.2	Very high	107 Å²	107	50.5 Å²	50.5	47%	0.465	26%	0.257	S	S	.	.	H	α-helix	trans	-57.8	-49	172.5	-73.1	161.6	-167.3	165	0	112	E166 E167 I168 N172 G173	E166-K170 WeakPolarHBondContact O-CD 3.05Å; E166-K170 VanDerWaalsContact O-CG 3.23Å; E166-K170 WeakPolarHBondContact O-CG 2.87Å; E166-K170 PolarHBondContact O-N 2.76Å; E167-K170 WeakPolarHBondContact OE1-CD 3.28Å; I168-K170 PolarHBondContact O-N 2.98Å; K170-N172 PolarHBondContact O-N 2.92Å; K170-N172 VanDerWaalsContact O-N 3.17Å; K170-G173 PolarHBondContact O-N 3.21Å; K170-G173 VanDerWaalsContact O-N 3.14Å
171	A	92.2	Very high	94.2	Very high	46 Å²	46	48.1 Å²	48.1	38%	0.38	25%	0.247	S	C	.	.	H	α-helix	trans	-62.3	-20.3	177.3	0	0	0	0	0	113.9	E167 I168 P340	E167-A171 PolarHBondContact O-N 3.18Å; E167-A171 VanDerWaalsContact O-N 3.16Å; I168-A171 WeakPolarHBondContact O-CB 3.32Å; I168-A171 PolarHBondContact O-N 3.42Å; I168-A171 VanDerWaalsContact O-N 3.13Å; A171-P340 HydrophobicContact CB-CB 3.93Å; A171-P340 HydrophobicContact CB-CG 3.76Å
172	N	93.6	Very high	94.2	Very high	23 Å²	23	49.3 Å²	49.3	12%	0.123	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	31.1	176.9	-68.2	-93.4	0	0	0	112.5	I168 K169 K170 R175 C177 K338	I168-N172 PolarHBondContact O-N 2.7Å; I168-N172 PolarHBondContact O-ND2 3.01Å; K169-N172 CarbonylContact O-C 3.54Å; K169-N172 PolarHBondContact O-N 3.49Å; K169-N172 VanDerWaalsContact O-N 3.15Å; K170-N172 PolarHBondContact O-N 2.92Å; K170-N172 VanDerWaalsContact O-N 3.17Å; N172-R175 PolarHBondContact O-N 2.9Å; N172-C177 VanDerWaalsContact CB-SG 3.54Å; N172-K338 PolarHBondContact ND2-O 2.85Å; N172-K338 PolarHBondContact OD1-N 3.37Å
173	G	92.3	Very high	94.1	Very high	58 Å²	58	44.7 Å²	44.7	60%	0.598	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.8	36.3	174.3	0	0	0	0	0	113.7	K169 K170 R175	K169-G173 PolarHBondContact O-N 3.28Å; K170-G173 PolarHBondContact O-N 3.21Å; K170-G173 VanDerWaalsContact O-N 3.14Å; G173-R175 PolarHBondContact O-N 2.87Å
174	N	92.8	Very high	93.7	Very high	113 Å²	113	40.2 Å²	40.2	60%	0.604	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	17.5	-174	-64.4	-37.8	0	0	0	115.2	K169	K169-N174 WeakPolarHBondContact O-CA 3.47Å; K169-N174 PolarHBondContact O-N 2.98Å
175	R	90.7	Very high	93	Very high	180 Å²	180	43.5 Å²	43.5	68%	0.679	24%	0.241	S	C	*	.			trans	-95	132.8	177.4	-60	-178.4	-177.9	-167.2	-0.8	110.8	K169 N172 G173 C177	K169-R175 PolarHBondContact O-N 2.99Å; N172-R175 PolarHBondContact O-N 2.9Å; G173-R175 PolarHBondContact O-N 2.87Å; R175-C177 PolarHBondContact O-N 3.23Å; R175-C177 VanDerWaalsContact O-N 3.08Å
176	E	90.3	Very high	92.2	Very high	89 Å²	89	45.2 Å²	45.2	42%	0.416	25%	0.251	S	S	.	.			trans	-71.8	101.1	168.4	-173.6	-178.8	-125	0	0	108.5	K152 I179	K152-E176 WeakPolarHBondContact CE-OE2 3.34Å; K152-E176 IonicContact NZ-OE1 3.67Å; K152-E176 PolarHBondContact NZ-OE1 3.11Å; K152-E176 IonicContact NZ-OE2 3.83Å; K152-E176 PolarHBondContact NZ-OE2 3.26Å; E176-I179 HydrophobicContact CG-CG2 3.68Å
177	C	91.9	Very high	91.6	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.027	26%	0.261	C	S	.	.			trans	-109.6	-22	-178.9	60.5	0	0	0	0	113.2	N172 R175 G330 I331 P337	N172-C177 VanDerWaalsContact CB-SG 3.54Å; R175-C177 PolarHBondContact O-N 3.23Å; R175-C177 VanDerWaalsContact O-N 3.08Å; C177-G330 CarbonylContact O-C 3.57Å; C177-G330 VanDerWaalsContact O-CA 3.25Å; C177-G330 WeakPolarHBondContact O-CA 3.23Å; C177-I331 PolarHBondContact O-N 3.19Å; C177-P337 HydrophobicContact CB-CB 4.45Å; C177-P337 HydrophobicContact CB-CG 4.09Å; C177-P337 WeakPolarHBondContact O-CG 3.02Å
178	L	94.3	Very high	91.4	Very high	9 Å²	9	44 Å²	44	5%	0.047	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129	-175.4	-169.7	78.3	0	0	0	109.2	I168 L328 V329 P337 I369	I168-L178 HydrophobicContact CD1-CD2 3.87Å; I168-L178 HydrophobicContact CG2-CB 4.27Å; I168-L178 HydrophobicContact CG2-CD2 4.26Å; L178-L328 HydrophobicContact CD1-CB 4.17Å; L178-L328 HydrophobicContact CD2-CB 4.01Å; L178-L328 HydrophobicContact CD2-CD1 4.22Å; L178-L328 HydrophobicContact CG-CB 4.01Å; L178-V329 WeakPolarHBondContact CA-O 3.38Å; L178-P337 HydrophobicContact CB-CB 3.94Å; L178-P337 HydrophobicContact CB-CG 4Å; L178-P337 HydrophobicContact CD1-CB 3.95Å; L178-P337 HydrophobicContact CD1-CG 3.84Å; L178-P337 HydrophobicContact CG-CB 4.43Å; L178-I369 HydrophobicContact CD1-CG2 4.08Å
179	I	95.6	Very high	91.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.8	-175.1	64.5	172.9	0	0	0	112.5	I140 V145 K152 E176 V181 L328 V329 I331	I140-I179 HydrophobicContact CG2-CD1 3.93Å; V145-I179 HydrophobicContact CB-CD1 4.44Å; V145-I179 HydrophobicContact CG1-CD1 3.82Å; V145-I179 HydrophobicContact CG2-CD1 4.08Å; K152-I179 HydrophobicContact CG-CB 4.39Å; K152-I179 HydrophobicContact CG-CD1 3.86Å; E176-I179 HydrophobicContact CG-CG2 3.68Å; I179-V181 HydrophobicContact CD1-CG2 4.32Å; I179-V181 HydrophobicContact CG1-CG2 4.29Å; I179-V181 PolarHBondContact O-N 3.35Å; I179-L328 WeakPolarHBondContact O-CA 3.27Å; I179-V329 HydrophobicContact CG1-CG2 4.2Å; I179-V329 PolarHBondContact N-O 2.8Å; I179-V329 PolarHBondContact O-N 2.92Å; I179-I331 HydrophobicContact CD1-CG1 4.39Å; I179-I331 HydrophobicContact CG2-CD1 4.11Å; I179-I331 HydrophobicContact CG2-CG1 4.48Å
180	P	96.9	Very high	91.2	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	121	169.2	30.1	-32.5	0	0	0	110.3	K152 D153 L158 L161 L165 V326 P327 L328	K152-P180 VanDerWaalsContact CA-O 3.3Å; K152-P180 WeakPolarHBondContact CA-O 3.11Å; D153-P180 PolarHBondContact N-O 3.05Å; L158-P180 HydrophobicContact CD2-CG 3.55Å; L158-P180 HydrophobicContact CG-CG 4.13Å; L161-P180 HydrophobicContact CD1-CB 4.44Å; L165-P180 HydrophobicContact CD1-CG 4.07Å; P180-V326 HydrophobicContact CB-CG2 4.15Å; P180-P327 WeakPolarHBondContact CA-O 3.46Å; P180-L328 HydrophobicContact CB-CD2 3.84Å; P180-L328 HydrophobicContact CG-CD2 4.5Å
181	V	96.3	Very high	91.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-100.2	149.4	177.8	152.5	0	0	0	0	111	I140 Y150 G151 I179 P327 V329	I140-V181 HydrophobicContact CD1-CG2 4.02Å; Y150-V181 WeakPolarHBondContact O-CG1 3.36Å; G151-V181 CarbonylContact O-C 3.59Å; G151-V181 VanDerWaalsContact O-CA 3.32Å; G151-V181 WeakPolarHBondContact O-CA 3.37Å; I179-V181 HydrophobicContact CD1-CG2 4.32Å; I179-V181 HydrophobicContact CG1-CG2 4.29Å; I179-V181 PolarHBondContact O-N 3.35Å; V181-P327 HydrophobicContact CB-CG 4.05Å; V181-P327 HydrophobicContact CG1-CG 4.13Å; V181-P327 PolarHBondContact N-O 3.46Å; V181-P327 WeakPolarHBondContact O-CD 3.25Å; V181-V329 HydrophobicContact CB-CG2 4.19Å; V181-V329 HydrophobicContact CG2-CG2 3.51Å
182	H	94.4	Very high	91.5	Very high	26 Å²	26	34.5 Å²	34.5	12%	0.12	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-64.6	145.1	-179.2	-169.3	67.8	0	0	0	113.2	T84 G151 D153 D184 R196	T84-H182 PolarHBondContact OG1-NE2 3.49Å; G151-H182 PolarHBondContact O-N 3.15Å; D153-H182 HydrophobicContact CB-CB 4.31Å; D153-H182 IonicContact OD1-CE1 3.94Å; D153-H182 IonicContact OD1-CG 3.05Å; D153-H182 IonicContact OD1-ND1 3.05Å; D153-H182 PolarHBondContact OD1-ND1 2.82Å; H182-D184 IonicContact NE2-OD1 2.7Å; H182-R196 WeakPolarHBondContact O-CD 3.37Å; H182-R196 PolarHBondContact O-NH1 3Å
183	V	92.3	Very high	91.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	20%	0.204	C	C	.	.			trans	-140.3	144.8	173.5	152.8	0	0	0	0	107.6	C189 H192 A193 R196 H324 P327	V183-C189 HydrophobicContact CG1-CB 3.69Å; V183-H192 HydrophobicContact CB-CB 4.41Å; V183-H192 HydrophobicContact CG1-CB 3.48Å; V183-H192 VanDerWaalsContact CG1-CB 3.48Å; V183-H192 HydrophobicContact CG2-CB 4.08Å; V183-A193 HydrophobicContact CG2-CB 4.26Å; V183-R196 HydrophobicContact CG2-CG 4.15Å; V183-H324 PolarHBondContact O-CE1 2.95Å; V183-H324 VanDerWaalsContact O-CE1 3.32Å; V183-H324 PolarHBondContact O-NE2 3.33Å; V183-P327 VanDerWaalsContact CG2-CD 3.5Å; V183-P327 HydrophobicContact CG2-CG 4.05Å
184	D	86.8	Confident	92	Very high	9 Å²	9	30.7 Å²	30.7	5%	0.048	18%	0.175	C	C	.	.			trans	-70.2	139.4	-179.2	-71.2	7.3	0	0	0	111.9	E85 N94 K98 H182 D186 E202	E85-D184 WeakPolarHBondContact CB-OD2 3.47Å; N94-D184 WeakPolarHBondContact CB-OD2 3.46Å; N94-D184 PolarHBondContact ND2-OD1 3.41Å; K98-D184 VanDerWaalsContact CE-OD2 3.23Å; K98-D184 WeakPolarHBondContact CE-OD2 3.37Å; K98-D184 IonicContact NZ-OD2 3.76Å; K98-D184 PolarHBondContact NZ-OD2 3.25Å; H182-D184 IonicContact NE2-OD1 2.7Å; D184-D186 VanDerWaalsContact C-N 3.29Å; D184-D186 PolarHBondContact O-N 2.76Å; D184-D186 VanDerWaalsContact O-N 3.14Å; D184-E202 PolarHBondContact N-OE1 2.93Å; D184-E202 VanDerWaalsContact N-OE1 3.07Å
185	G	81.4	Confident	92.2	Very high	71 Å²	71	25.3 Å²	25.3	73%	0.732	15%	0.146	S	C	*	.			trans	-86	44.8	-175.3	0	0	0	0	0	114.9
186	D	79.9	Confident	92.5	Very high	60 Å²	60	16.7 Å²	16.7	32%	0.321	11%	0.114	S	C	.	.	S	Bend	trans	-100.1	7.6	-167.2	63.9	6.4	0	0	0	115.7	K98 D184 H188 H192	K98-D186 VanDerWaalsContact CE-OD2 3.29Å; K98-D186 WeakPolarHBondContact CE-OD2 3.43Å; K98-D186 IonicContact NZ-OD2 3.99Å; K98-D186 PolarHBondContact NZ-OD2 3.46Å; D184-D186 VanDerWaalsContact C-N 3.29Å; D184-D186 PolarHBondContact O-N 2.76Å; D184-D186 VanDerWaalsContact O-N 3.14Å; D186-H188 WeakPolarHBondContact OD1-CB 3.4Å; D186-H188 IonicContact OD1-CD2 2.58Å; D186-H188 PolarHBondContact OD1-CD2 3.48Å; D186-H188 IonicContact OD1-CG 3.87Å; D186-H188 PolarHBondContact OD1-N 2.9Å; D186-H188 IonicContact OD2-CD2 2.75Å; D186-H192 VanDerWaalsContact CG-NE2 3.29Å; D186-H192 IonicContact OD1-CD2 2.72Å; D186-H192 PolarHBondContact OD1-CD2 3.23Å; D186-H192 IonicContact OD1-NE2 3.92Å; D186-H192 PolarHBondContact OD1-NE2 3.17Å; D186-H192 IonicContact OD2-CD2 3.32Å; D186-H192 IonicContact OD2-CE1 2.6Å; D186-H192 IonicContact OD2-NE2 3.59Å; D186-H192 PolarHBondContact OD2-NE2 3.31Å
187	G	82.5	Confident	92.8	Very high	47 Å²	47	12.8 Å²	12.8	49%	0.485	10%	0.097	S	C	.	.	S	Bend	trans	91.7	-11.3	-174	0	0	0	0	0	114.8	R209	G187-R209 PolarHBondContact O-NH2 3.16Å
188	H	89.9	Confident	93	Very high	19 Å²	19	12.6 Å²	12.6	9%	0.088	10%	0.095	C	C	.	.			trans	-100.8	8.2	173.6	-43.2	-70.6	0	0	0	113.1	D186 L190 V191 H192 W205 R209 P245	D186-H188 WeakPolarHBondContact OD1-CB 3.4Å; D186-H188 IonicContact OD1-CD2 2.58Å; D186-H188 PolarHBondContact OD1-CD2 3.48Å; D186-H188 IonicContact OD1-CG 3.87Å; D186-H188 PolarHBondContact OD1-N 2.9Å; D186-H188 IonicContact OD2-CD2 2.75Å; H188-L190 PolarHBondContact O-N 2.87Å; H188-V191 HydrophobicContact CB-CG2 3.94Å; H188-V191 WeakPolarHBondContact O-CG2 3.34Å; H188-V191 PolarHBondContact O-N 3.04Å; H188-H192 PolarHBondContact O-N 2.82Å; H188-W205 HydrophobicContact CB-CE3 4.05Å; H188-W205 HydrophobicContact CB-CZ3 4.46Å; H188-W205 AromaticContact CD2-CZ3 3.97Å; H188-W205 AromaticContact CE1-CZ3 3.69Å; H188-W205 AromaticContact CG-CE3 3.86Å; H188-W205 AromaticContact CG-CZ3 3.78Å; H188-W205 AromaticContact ND1-CZ3 3.59Å; H188-W205 AromaticContact NE2-CZ3 3.92Å; H188-R209 PolarHBondContact ND1-NE 3.41Å; H188-R209 VanDerWaalsContact ND1-NE 3.15Å; H188-P245 PolarHBondContact CE1-O 3.41Å; H188-P245 VanDerWaalsContact CE1-O 3.26Å
189	C	92.3	Very high	93	Very high	13 Å²	13	12.5 Å²	12.5	9%	0.088	10%	0.095	C	C	.	.	H	α-helix	trans	-49.5	-31.2	-171.9	63.9	0	0	0	0	116.5	V183 A193 H324	V183-C189 HydrophobicContact CG1-CB 3.69Å; C189-A193 WeakPolarHBondContact O-CB 3.22Å; C189-A193 PolarHBondContact O-N 2.88Å; C189-H324 WeakPolarHBondContact CB-ND1 3.45Å
190	L	95.4	Very high	93	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-62.7	-51.7	173.3	178.3	60.5	0	0	0	112.3	H188 H192 A193 V194 L257 H261 I262 L265 I315 Y325	H188-L190 PolarHBondContact O-N 2.87Å; L190-H192 VanDerWaalsContact C-N 3.35Å; L190-A193 PolarHBondContact O-N 2.96Å; L190-V194 HydrophobicContact CD1-CG2 4.49Å; L190-V194 WeakPolarHBondContact O-CG2 3.42Å; L190-V194 PolarHBondContact O-N 3.08Å; L190-L257 HydrophobicContact CB-CB 4.24Å; L190-L257 HydrophobicContact CB-CD1 4.09Å; L190-L257 HydrophobicContact CD2-CB 3.6Å; L190-L257 HydrophobicContact CD2-CD1 4.12Å; L190-L257 HydrophobicContact CD2-CG 4.5Å; L190-H261 HydrophobicContact CD2-CB 4.13Å; L190-I262 HydrophobicContact CD1-CD1 4.33Å; L190-I262 HydrophobicContact CD1-CG1 3.96Å; L190-I262 HydrophobicContact CD2-CG1 3.84Å; L190-L265 HydrophobicContact CD2-CD1 3.81Å; L190-L265 HydrophobicContact CG-CD1 3.9Å; L190-I315 HydrophobicContact CD1-CD1 3.67Å; L190-Y325 HydrophobicContact CB-CD2 3.59Å; L190-Y325 HydrophobicContact CB-CE2 3.78Å; L190-Y325 HydrophobicContact CB-CG 4.27Å; L190-Y325 HydrophobicContact CD1-CD1 4.09Å; L190-Y325 HydrophobicContact CD1-CD2 4.04Å; L190-Y325 HydrophobicContact CD1-CE1 4.14Å; L190-Y325 HydrophobicContact CD1-CE2 4.08Å; L190-Y325 HydrophobicContact CD1-CG 4.02Å; L190-Y325 HydrophobicContact CD2-CE2 4.41Å; L190-Y325 HydrophobicContact CG-CD2 4.34Å; L190-Y325 HydrophobicContact CG-CE2 4.29Å
191	V	96.6	Very high	92.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-74.7	-28	-178.8	-70.4	0	0	0	0	111.8	H188 S195 W205 L208 R209 L257 L265	H188-V191 HydrophobicContact CB-CG2 3.94Å; H188-V191 WeakPolarHBondContact O-CG2 3.34Å; H188-V191 PolarHBondContact O-N 3.04Å; V191-S195 VanDerWaalsContact O-CB 3.23Å; V191-S195 WeakPolarHBondContact O-CB 3.27Å; V191-S195 PolarHBondContact O-N 2.78Å; V191-W205 HydrophobicContact CG2-CB 4.05Å; V191-W205 HydrophobicContact CG2-CE3 4.42Å; V191-L208 HydrophobicContact CB-CB 4.02Å; V191-L208 HydrophobicContact CB-CD1 4.21Å; V191-L208 HydrophobicContact CG1-CB 3.82Å; V191-L208 WeakPolarHBondContact O-CD1 3.4Å; V191-R209 HydrophobicContact CG1-CG 4.12Å; V191-R209 HydrophobicContact CG2-CG 4.04Å; V191-L257 HydrophobicContact CG1-CD1 4.22Å; V191-L265 HydrophobicContact CG1-CD1 3.99Å; V191-L265 HydrophobicContact CG1-CD2 4.28Å
192	H	96.1	Very high	92.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.6	-53.8	165.7	-68.3	-17.7	0	0	0	110.8	V183 D186 H188 L190 V194 S195 R196 E202 W205	V183-H192 HydrophobicContact CB-CB 4.41Å; V183-H192 HydrophobicContact CG1-CB 3.48Å; V183-H192 VanDerWaalsContact CG1-CB 3.48Å; V183-H192 HydrophobicContact CG2-CB 4.08Å; D186-H192 VanDerWaalsContact CG-NE2 3.29Å; D186-H192 IonicContact OD1-CD2 2.72Å; D186-H192 PolarHBondContact OD1-CD2 3.23Å; D186-H192 IonicContact OD1-NE2 3.92Å; D186-H192 PolarHBondContact OD1-NE2 3.17Å; D186-H192 IonicContact OD2-CD2 3.32Å; D186-H192 IonicContact OD2-CE1 2.6Å; D186-H192 IonicContact OD2-NE2 3.59Å; D186-H192 PolarHBondContact OD2-NE2 3.31Å; H188-H192 PolarHBondContact O-N 2.82Å; L190-H192 VanDerWaalsContact C-N 3.35Å; H192-V194 VanDerWaalsContact C-N 3.33Å; H192-V194 PolarHBondContact O-N 3.3Å; H192-S195 PolarHBondContact O-N 2.88Å; H192-S195 VanDerWaalsContact O-N 3.14Å; H192-R196 WeakPolarHBondContact O-CB 3.43Å; H192-R196 VanDerWaalsContact O-CG 3.27Å; H192-R196 WeakPolarHBondContact O-CG 3.3Å; H192-R196 PolarHBondContact O-N 2.86Å; H192-E202 HydrophobicContact CB-CG 3.87Å; H192-E202 IonicContact CD2-OE1 3.51Å; H192-E202 IonicContact CD2-OE2 3.49Å; H192-E202 IonicContact CE1-OE2 3.72Å; H192-E202 IonicContact CG-OE1 2.67Å; H192-E202 IonicContact CG-OE2 2.72Å; H192-E202 IonicContact ND1-OE2 3.09Å; H192-E202 IonicContact NE2-OE2 3.52Å; H192-W205 AromaticContact CE1-CD1 3.93Å; H192-W205 AromaticContact CE1-CG 3.57Å; H192-W205 WeakPolarHBondContact ND1-CB 3.48Å; H192-W205 AromaticContact ND1-CG 3.71Å
193	A	97	Very high	92.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-56.9	-45.5	179.1	0	0	0	0	0	112	V183 C189 L190 R196 A197 I315 P327	V183-A193 HydrophobicContact CG2-CB 4.26Å; C189-A193 WeakPolarHBondContact O-CB 3.22Å; C189-A193 PolarHBondContact O-N 2.88Å; L190-A193 PolarHBondContact O-N 2.96Å; A193-R196 PolarHBondContact O-N 3.08Å; A193-A197 WeakPolarHBondContact O-CB 3.18Å; A193-A197 PolarHBondContact O-N 3.15Å; A193-I315 HydrophobicContact CB-CG2 4.07Å; A193-P327 HydrophobicContact CB-CB 4.27Å; A193-P327 HydrophobicContact CB-CG 4.42Å; A193-P327 WeakPolarHBondContact O-CB 3.48Å
194	V	98.2	Very high	93.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61	-49	174.5	168.9	0	0	0	0	111.4	L190 H192 R196 A197 L198 L208 L265 L269 I273 I313	L190-V194 HydrophobicContact CD1-CG2 4.49Å; L190-V194 WeakPolarHBondContact O-CG2 3.42Å; L190-V194 PolarHBondContact O-N 3.08Å; H192-V194 VanDerWaalsContact C-N 3.33Å; H192-V194 PolarHBondContact O-N 3.3Å; V194-R196 VanDerWaalsContact C-N 3.32Å; V194-R196 PolarHBondContact O-N 2.82Å; V194-A197 PolarHBondContact O-N 3.01Å; V194-L198 HydrophobicContact CG1-CD1 3.85Å; V194-L198 VanDerWaalsContact O-CG 3.25Å; V194-L198 WeakPolarHBondContact O-CG 3.46Å; V194-L198 PolarHBondContact O-N 3.32Å; V194-L208 HydrophobicContact CB-CD1 4.26Å; V194-L208 HydrophobicContact CG1-CD1 3.86Å; V194-L208 HydrophobicContact CG1-CD2 4.14Å; V194-L265 HydrophobicContact CG2-CD1 4.35Å; V194-L269 HydrophobicContact CG1-CD1 3.63Å; V194-I273 HydrophobicContact CG2-CD1 4.44Å; V194-I313 HydrophobicContact CB-CD1 4.49Å; V194-I313 HydrophobicContact CG1-CD1 4.09Å; V194-I313 HydrophobicContact CG2-CD1 4.24Å
195	S	97.4	Very high	93.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.5	-42.3	176.1	-174.3	0	0	0	0	112	V191 H192 L198 V199 R201 F204	V191-S195 VanDerWaalsContact O-CB 3.23Å; V191-S195 WeakPolarHBondContact O-CB 3.27Å; V191-S195 PolarHBondContact O-N 2.78Å; H192-S195 PolarHBondContact O-N 2.88Å; H192-S195 VanDerWaalsContact O-N 3.14Å; S195-L198 PolarHBondContact O-N 2.91Å; S195-V199 VanDerWaalsContact O-CG2 3.29Å; S195-V199 WeakPolarHBondContact O-CG2 3.31Å; S195-V199 PolarHBondContact O-N 3.5Å; S195-R201 CarbonylContact C-O 3.5Å; S195-R201 WeakPolarHBondContact CB-O 3.36Å; S195-R201 PolarHBondContact OG-O 3.5Å; S195-F204 PolarHBondContact OG-N 2.79Å; S195-F204 VanDerWaalsContact OG-N 3.11Å
196	R	96.3	Very high	94.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-68	-36.3	177.5	-65.8	-148.6	75.6	171	0.3	112.6	F138 G149 Y150 H182 V183 H192 A193 V194 L198 G200 R201 E202 P327	F138-R196 VanDerWaalsContact CB-O 3.28Å; F138-R196 WeakPolarHBondContact CB-O 3.23Å; G149-R196 PolarHBondContact O-NH1 3.43Å; Y150-R196 PolarHBondContact O-NH2 2.92Å; H182-R196 WeakPolarHBondContact O-CD 3.37Å; H182-R196 PolarHBondContact O-NH1 3Å; V183-R196 HydrophobicContact CG2-CG 4.15Å; H192-R196 WeakPolarHBondContact O-CB 3.43Å; H192-R196 VanDerWaalsContact O-CG 3.27Å; H192-R196 WeakPolarHBondContact O-CG 3.3Å; H192-R196 PolarHBondContact O-N 2.86Å; A193-R196 PolarHBondContact O-N 3.08Å; V194-R196 VanDerWaalsContact C-N 3.32Å; V194-R196 PolarHBondContact O-N 2.82Å; R196-L198 VanDerWaalsContact C-N 3.32Å; R196-L198 PolarHBondContact O-N 3.37Å; R196-G200 PolarHBondContact NE-O 3.18Å; R196-G200 PolarHBondContact NH2-O 2.84Å; R196-G200 WeakPolarHBondContact O-CA 3.39Å; R196-G200 PolarHBondContact O-N 3.5Å; R196-R201 PolarHBondContact N-O 2.87Å; R196-E202 HydrophobicContact CG-CG 3.82Å; R196-P327 HydrophobicContact CB-CB 4.43Å; R196-P327 HydrophobicContact CB-CG 3.96Å
197	A	97.2	Very high	95.1	Very high	6 Å²	6	6.6 Å²	6.6	5%	0.05	5%	0.045	C	C	.	.	H	α-helix	trans	-68.9	-28.9	174.7	0	0	0	0	0	113.1	F138 A193 V194 I313 P327	F138-A197 PolarHBondContact N-O 3.22Å; A193-A197 WeakPolarHBondContact O-CB 3.18Å; A193-A197 PolarHBondContact O-N 3.15Å; V194-A197 PolarHBondContact O-N 3.01Å; A197-I313 HydrophobicContact CB-CB 4.15Å; A197-I313 HydrophobicContact CB-CD1 4.35Å; A197-I313 HydrophobicContact CB-CG2 4.13Å; A197-P327 HydrophobicContact CB-CB 4.23Å
198	L	96.2	Very high	95.8	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-84.9	-45.5	178.9	-63.8	168.6	0	0	0	113	L133 R136 A137 F138 V194 S195 R196 L269 I313	L133-L198 HydrophobicContact CB-CD1 4.09Å; L133-L198 HydrophobicContact CD1-CD1 4.23Å; R136-L198 VanDerWaalsContact O-CD2 3.29Å; R136-L198 WeakPolarHBondContact O-CD2 2.82Å; A137-L198 CarbonylContact C-O 3.08Å; F138-L198 PolarHBondContact N-O 2.57Å; V194-L198 HydrophobicContact CG1-CD1 3.85Å; V194-L198 VanDerWaalsContact O-CG 3.25Å; V194-L198 WeakPolarHBondContact O-CG 3.46Å; V194-L198 PolarHBondContact O-N 3.32Å; S195-L198 PolarHBondContact O-N 2.91Å; R196-L198 VanDerWaalsContact C-N 3.32Å; R196-L198 PolarHBondContact O-N 3.37Å; L198-L269 HydrophobicContact CD1-CD1 3.98Å; L198-L269 HydrophobicContact CD1-CD2 3.65Å; L198-L269 HydrophobicContact CD1-CG 4.5Å; L198-I313 HydrophobicContact CD2-CD1 4.43Å; L198-I313 HydrophobicContact CD2-CG2 3.98Å
199	V	95.2	Very high	96.1	Very high	8 Å²	8	3.9 Å²	3.9	5%	0.048	2%	0.02	C	C	.	.	H	α-helix	trans	-135.7	7.3	-170.6	-56.9	0	0	0	0	115.5	L133 S195 R201 F204 L375	L133-V199 HydrophobicContact CD2-CG1 4.26Å; S195-V199 VanDerWaalsContact O-CG2 3.29Å; S195-V199 WeakPolarHBondContact O-CG2 3.31Å; S195-V199 PolarHBondContact O-N 3.5Å; V199-R201 PolarHBondContact O-N 3.28Å; V199-R201 VanDerWaalsContact O-N 3.13Å; V199-F204 HydrophobicContact CG1-CE2 4.21Å; V199-F204 HydrophobicContact CG2-CD2 3.67Å; V199-F204 HydrophobicContact CG2-CE2 3.85Å; V199-L375 HydrophobicContact CB-CD2 4.46Å; V199-L375 HydrophobicContact CG1-CB 4.39Å; V199-L375 HydrophobicContact CG1-CD2 4.11Å
200	G	94.3	Very high	96.4	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.023	C	C	.	.	S	Bend	trans	78.6	-12.5	175.7	0	0	0	0	0	116	F138 R196	F138-G200 VanDerWaalsContact CD1-CA 3.47Å; F138-G200 VanDerWaalsContact CD2-CA 3.4Å; R196-G200 PolarHBondContact NE-O 3.18Å; R196-G200 PolarHBondContact NH2-O 2.84Å; R196-G200 WeakPolarHBondContact O-CA 3.39Å; R196-G200 PolarHBondContact O-N 3.5Å
201	R	95.1	Very high	96.5	Very high	3 Å²	3	5.7 Å²	5.7	1%	0.011	3%	0.028	C	C	.	.	S	Bend	trans	-121.9	157.8	-179.6	-54.6	-58.9	176.4	145.8	2.8	111.1	V89 L92 Y150 S195 R196 V199 L203 L380	V89-R201 VanDerWaalsContact O-CZ 3.31Å; V89-R201 PolarHBondContact O-NH1 3.31Å; V89-R201 PolarHBondContact O-NH2 3.4Å; L92-R201 PolarHBondContact O-NH1 2.99Å; Y150-R201 VanDerWaalsContact CE2-CZ 3.48Å; S195-R201 CarbonylContact C-O 3.5Å; S195-R201 WeakPolarHBondContact CB-O 3.36Å; S195-R201 PolarHBondContact OG-O 3.5Å; R196-R201 PolarHBondContact N-O 2.87Å; V199-R201 PolarHBondContact O-N 3.28Å; V199-R201 VanDerWaalsContact O-N 3.13Å; R201-L203 HydrophobicContact CB-CB 4.08Å; R201-L203 PolarHBondContact O-N 3.4Å; R201-L380 HydrophobicContact CG-CD2 3.92Å
202	E	94.9	Very high	96.6	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.028	C	C	.	.	S	Bend	trans	-76.3	6	172.1	-60.5	-178.1	166	0	0	112.8	N94 K98 D184 H192 R196 F204 W205	N94-E202 WeakPolarHBondContact CB-OE2 3.16Å; K98-E202 WeakPolarHBondContact CE-OE2 3.14Å; K98-E202 IonicContact NZ-OE2 2.79Å; D184-E202 PolarHBondContact N-OE1 2.93Å; D184-E202 VanDerWaalsContact N-OE1 3.07Å; H192-E202 HydrophobicContact CB-CG 3.87Å; H192-E202 IonicContact CD2-OE1 3.51Å; H192-E202 IonicContact CD2-OE2 3.49Å; H192-E202 IonicContact CE1-OE2 3.72Å; H192-E202 IonicContact CG-OE1 2.67Å; H192-E202 IonicContact CG-OE2 2.72Å; H192-E202 IonicContact ND1-OE2 3.09Å; H192-E202 IonicContact NE2-OE2 3.52Å; R196-E202 HydrophobicContact CG-CG 3.82Å; E202-F204 PolarHBondContact O-N 3.08Å; E202-W205 WeakPolarHBondContact O-CB 3.48Å; E202-W205 VanDerWaalsContact O-CD1 3.26Å; E202-W205 PolarHBondContact O-N 2.81Å
203	L	95.1	Very high	96.6	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-21.6	-169.6	-173.6	62.9	0	0	0	115.7	C97 L100 S101 L104 R201 L380 V384	C97-L203 HydrophobicContact CB-CB 4.35Å; C97-L203 HydrophobicContact CB-CD1 4.42Å; L100-L203 HydrophobicContact CB-CD1 3.95Å; S101-L203 WeakPolarHBondContact CA-O 3.21Å; S101-L203 VanDerWaalsContact CB-O 3.24Å; S101-L203 WeakPolarHBondContact CB-O 3.35Å; S101-L203 PolarHBondContact OG-O 3.05Å; L104-L203 HydrophobicContact CD1-CD1 4.28Å; L104-L203 HydrophobicContact CD1-CD2 3.85Å; L104-L203 HydrophobicContact CD1-CG 3.89Å; R201-L203 HydrophobicContact CB-CB 4.08Å; R201-L203 PolarHBondContact O-N 3.4Å; L203-L380 HydrophobicContact CD2-CD1 3.58Å; L203-V384 HydrophobicContact CD1-CG2 4.43Å; L203-V384 HydrophobicContact CD2-CG2 3.78Å
204	F	96.5	Very high	96.6	Very high	6 Å²	6	11 Å²	11	3%	0.026	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	9	180	-65.9	-98	0	0	0	113.8	L104 F128 L133 S195 V199 E202 H206 A207 L208	L104-F204 HydrophobicContact CD1-CZ 4.47Å; L104-F204 HydrophobicContact CD2-CD1 3.55Å; L104-F204 HydrophobicContact CD2-CE1 3.42Å; L104-F204 VanDerWaalsContact CD2-CE1 3.42Å; L104-F204 HydrophobicContact CD2-CG 4.29Å; L104-F204 HydrophobicContact CD2-CZ 4.03Å; F128-F204 AromaticContact CD1-CD1 3.96Å; F128-F204 HydrophobicContact CD1-CD1 3.96Å; F128-F204 HydrophobicContact CD1-CE1 4.01Å; F128-F204 AromaticContact CE1-CD1 3.72Å; F128-F204 HydrophobicContact CE1-CD1 3.72Å; F128-F204 AromaticContact CE1-CE1 3.52Å; F128-F204 HydrophobicContact CE1-CE1 3.52Å; F128-F204 HydrophobicContact CE2-CE1 4.21Å; F128-F204 HydrophobicContact CZ-CD1 4.32Å; F128-F204 AromaticContact CZ-CE1 3.65Å; F128-F204 HydrophobicContact CZ-CE1 3.65Å; L133-F204 HydrophobicContact CD1-CB 4.24Å; L133-F204 HydrophobicContact CD1-CD1 3.72Å; L133-F204 HydrophobicContact CD1-CD2 4.32Å; L133-F204 HydrophobicContact CD1-CE1 4.09Å; L133-F204 HydrophobicContact CD1-CG 3.84Å; L133-F204 HydrophobicContact CD2-CE1 4.27Å; L133-F204 HydrophobicContact CD2-CZ 4.27Å; S195-F204 PolarHBondContact OG-N 2.79Å; S195-F204 VanDerWaalsContact OG-N 3.11Å; V199-F204 HydrophobicContact CG1-CE2 4.21Å; V199-F204 HydrophobicContact CG2-CD2 3.67Å; V199-F204 HydrophobicContact CG2-CE2 3.85Å; E202-F204 PolarHBondContact O-N 3.08Å; F204-H206 VanDerWaalsContact C-N 3.3Å; F204-H206 PolarHBondContact O-N 2.8Å; F204-A207 PolarHBondContact O-N 2.89Å; F204-L208 HydrophobicContact CB-CD1 4.46Å; F204-L208 VanDerWaalsContact O-CG 3.32Å; F204-L208 WeakPolarHBondContact O-CG 3.38Å; F204-L208 PolarHBondContact O-N 3.47Å
205	W	95.6	Very high	96.6	Very high	14 Å²	14	11.9 Å²	11.9	5%	0.053	6%	0.057	C	C	.	.	H	α-helix	trans	-54.1	-42.7	-176.1	81.2	-96.3	0	0	0	113.5	S101 H188 V191 H192 E202 R209 P245	S101-W205 VanDerWaalsContact CB-CD1 3.43Å; S101-W205 VanDerWaalsContact CB-NE1 3.35Å; S101-W205 PolarHBondContact OG-N 3.36Å; H188-W205 HydrophobicContact CB-CE3 4.05Å; H188-W205 HydrophobicContact CB-CZ3 4.46Å; H188-W205 AromaticContact CD2-CZ3 3.97Å; H188-W205 AromaticContact CE1-CZ3 3.69Å; H188-W205 AromaticContact CG-CE3 3.86Å; H188-W205 AromaticContact CG-CZ3 3.78Å; H188-W205 AromaticContact ND1-CZ3 3.59Å; H188-W205 AromaticContact NE2-CZ3 3.92Å; V191-W205 HydrophobicContact CG2-CB 4.05Å; V191-W205 HydrophobicContact CG2-CE3 4.42Å; H192-W205 AromaticContact CE1-CD1 3.93Å; H192-W205 AromaticContact CE1-CG 3.57Å; H192-W205 WeakPolarHBondContact ND1-CB 3.48Å; H192-W205 AromaticContact ND1-CG 3.71Å; E202-W205 WeakPolarHBondContact O-CB 3.48Å; E202-W205 VanDerWaalsContact O-CD1 3.26Å; E202-W205 PolarHBondContact O-N 2.81Å; W205-R209 PolarHBondContact O-N 2.87Å; W205-P245 HydrophobicContact CH2-CB 4.07Å; W205-P245 HydrophobicContact CZ3-CB 4Å
206	H	96.8	Very high	96.6	Very high	19 Å²	19	11.9 Å²	11.9	9%	0.088	6%	0.057	C	C	.	.	H	α-helix	trans	-72.6	-42.6	-177.9	-174.4	-68.9	0	0	0	110.9	S101 T105 F204 L208 R209 E210 P245	S101-H206 WeakPolarHBondContact OG-CB 3.49Å; S101-H206 PolarHBondContact OG-N 3.35Å; S101-H206 VanDerWaalsContact OG-N 3.12Å; T105-H206 PolarHBondContact OG1-ND1 3.48Å; F204-H206 VanDerWaalsContact C-N 3.3Å; F204-H206 PolarHBondContact O-N 2.8Å; H206-L208 VanDerWaalsContact C-N 3.34Å; H206-L208 PolarHBondContact O-N 2.85Å; H206-R209 PolarHBondContact O-N 3.4Å; H206-E210 IonicContact CE1-OE1 2.71Å; H206-E210 WeakPolarHBondContact O-CG 3.38Å; H206-E210 PolarHBondContact O-N 3.39Å; H206-P245 VanDerWaalsContact CD2-CB 3.43Å; H206-P245 WeakPolarHBondContact CD2-CB 3.43Å; H206-P245 WeakPolarHBondContact NE2-CB 3.43Å
207	A	97.6	Very high	96.6	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.8	-41.7	176.3	0	0	0	0	0	111.5	T105 F128 F204 R209 E210 N211	T105-A207 PolarHBondContact OG1-N 3.37Å; F128-A207 HydrophobicContact CB-CB 4.41Å; F128-A207 HydrophobicContact CD1-CB 4.38Å; F204-A207 PolarHBondContact O-N 2.89Å; A207-R209 PolarHBondContact O-N 3.04Å; A207-E210 PolarHBondContact O-N 3.08Å; A207-N211 WeakPolarHBondContact O-CB 3.45Å; A207-N211 PolarHBondContact O-N 2.64Å; A207-N211 PolarHBondContact O-ND2 3.42Å
208	L	98.1	Very high	96.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.3	-41.3	176	-71.9	165.5	0	0	0	112.2	C130 V191 V194 F204 H206 L212 L265 L269	C130-L208 HydrophobicContact CB-CD2 4.1Å; V191-L208 HydrophobicContact CB-CB 4.02Å; V191-L208 HydrophobicContact CB-CD1 4.21Å; V191-L208 HydrophobicContact CG1-CB 3.82Å; V191-L208 WeakPolarHBondContact O-CD1 3.4Å; V194-L208 HydrophobicContact CB-CD1 4.26Å; V194-L208 HydrophobicContact CG1-CD1 3.86Å; V194-L208 HydrophobicContact CG1-CD2 4.14Å; F204-L208 HydrophobicContact CB-CD1 4.46Å; F204-L208 VanDerWaalsContact O-CG 3.32Å; F204-L208 WeakPolarHBondContact O-CG 3.38Å; F204-L208 PolarHBondContact O-N 3.47Å; H206-L208 VanDerWaalsContact C-N 3.34Å; H206-L208 PolarHBondContact O-N 2.85Å; L208-L212 WeakPolarHBondContact O-CB 3.41Å; L208-L212 PolarHBondContact O-N 3.23Å; L208-L265 HydrophobicContact CB-CD2 4.19Å; L208-L265 HydrophobicContact CD2-CD2 4.21Å; L208-L269 HydrophobicContact CD2-CD2 3.98Å
209	R	96.8	Very high	96.6	Very high	9 Å²	9	26.8 Å²	26.8	3%	0.034	13%	0.125	C	C	.	.	H	α-helix	trans	-65.2	-47	175.3	-92.7	-178	175.2	-94	-1.9	112.6	G187 H188 V191 W205 H206 A207 L212 K213 E242 C243 D244 P245	G187-R209 PolarHBondContact O-NH2 3.16Å; H188-R209 PolarHBondContact ND1-NE 3.41Å; H188-R209 VanDerWaalsContact ND1-NE 3.15Å; V191-R209 HydrophobicContact CG1-CG 4.12Å; V191-R209 HydrophobicContact CG2-CG 4.04Å; W205-R209 PolarHBondContact O-N 2.87Å; H206-R209 PolarHBondContact O-N 3.4Å; A207-R209 PolarHBondContact O-N 3.04Å; R209-L212 PolarHBondContact O-N 3.24Å; R209-K213 WeakPolarHBondContact O-CB 3.44Å; R209-K213 PolarHBondContact O-N 3.38Å; R209-E242 PolarHBondContact NH1-O 3.04Å; R209-C243 VanDerWaalsContact CB-O 3.27Å; R209-C243 WeakPolarHBondContact CB-O 3.21Å; R209-C243 WeakPolarHBondContact CG-O 3.22Å; R209-C243 PolarHBondContact NH1-O 3.23Å; R209-D244 PolarHBondContact NH1-O 2.85Å; R209-P245 HydrophobicContact CB-CG 4.05Å
210	E	97.8	Very high	96.6	Very high	33 Å²	33	28.2 Å²	28.2	15%	0.154	13%	0.132	C	C	.	.	H	α-helix	trans	-63.3	-44.6	177.5	-71.2	-90.3	-130.2	0	0	112	T105 R106 I127 H206 A207 L212 K213 Q214 P245	T105-E210 HydrophobicContact CG2-CB 4.37Å; T105-E210 HydrophobicContact CG2-CG 4.09Å; R106-E210 IonicContact NH2-OE1 3.39Å; R106-E210 PolarHBondContact NH2-OE1 2.92Å; I127-E210 HydrophobicContact CD1-CB 4.35Å; I127-E210 HydrophobicContact CG2-CB 4.24Å; H206-E210 IonicContact CE1-OE1 2.71Å; H206-E210 WeakPolarHBondContact O-CG 3.38Å; H206-E210 PolarHBondContact O-N 3.39Å; A207-E210 PolarHBondContact O-N 3.08Å; E210-L212 VanDerWaalsContact C-N 3.34Å; E210-L212 PolarHBondContact O-N 2.72Å; E210-K213 PolarHBondContact O-N 3.16Å; E210-Q214 WeakPolarHBondContact O-CB 3.29Å; E210-Q214 PolarHBondContact O-N 3.3Å; E210-P245 HydrophobicContact CG-CG 3.89Å
211	N	98.2	Very high	96.7	Very high	21 Å²	21	33.6 Å²	33.6	11%	0.112	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-41.5	175.4	-82.9	-113.8	0	0	0	111.5	F128 C130 A207 Q214 N215 V268	F128-N211 PolarHBondContact O-ND2 3.33Å; F128-N211 PolarHBondContact O-OD1 3.27Å; C130-N211 HydrophobicContact CB-CB 4.27Å; C130-N211 PolarHBondContact N-OD1 2.78Å; A207-N211 WeakPolarHBondContact O-CB 3.45Å; A207-N211 PolarHBondContact O-N 2.64Å; A207-N211 PolarHBondContact O-ND2 3.42Å; N211-Q214 PolarHBondContact O-N 3.29Å; N211-N215 WeakPolarHBondContact O-CB 3.18Å; N211-N215 PolarHBondContact O-N 3.42Å; N211-V268 HydrophobicContact CB-CG1 3.64Å; N211-V268 HydrophobicContact CB-CG2 4.35Å
212	L	97.9	Very high	96.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-46.7	177.2	-177.9	64.5	0	0	0	111.7	L208 R209 E210 Q214 N215 F216 H261 G264 L265	L208-L212 WeakPolarHBondContact O-CB 3.41Å; L208-L212 PolarHBondContact O-N 3.23Å; R209-L212 PolarHBondContact O-N 3.24Å; E210-L212 VanDerWaalsContact C-N 3.34Å; E210-L212 PolarHBondContact O-N 2.72Å; L212-Q214 VanDerWaalsContact C-N 3.33Å; L212-Q214 PolarHBondContact O-N 2.91Å; L212-N215 PolarHBondContact O-N 2.93Å; L212-F216 HydrophobicContact CD1-CD2 3.98Å; L212-F216 HydrophobicContact CD1-CE2 3.45Å; L212-F216 VanDerWaalsContact CD1-CE2 3.45Å; L212-F216 HydrophobicContact CD1-CZ 4.02Å; L212-F216 HydrophobicContact CD2-CE2 4.24Å; L212-F216 HydrophobicContact CG-CD2 3.96Å; L212-F216 HydrophobicContact CG-CE2 3.64Å; L212-F216 VanDerWaalsContact O-CD2 3.3Å; L212-F216 WeakPolarHBondContact O-CD2 3.19Å; L212-F216 PolarHBondContact O-N 3.02Å; L212-H261 HydrophobicContact CD2-CB 3.98Å; L212-G264 VanDerWaalsContact CD1-C 3.46Å; L212-L265 HydrophobicContact CB-CD2 4.25Å; L212-L265 HydrophobicContact CD1-CD2 4.41Å; L212-L265 HydrophobicContact CD1-CG 4.12Å; L212-L265 HydrophobicContact CD2-CD2 4.29Å; L212-L265 HydrophobicContact CD2-CG 4.09Å
213	K	97.3	Very high	96.7	Very high	30 Å²	30	36.7 Å²	36.7	13%	0.13	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-42.2	176.2	-165.1	176.2	-169.6	-169.2	0	111.8	R209 E210 K217 I240 C243 D244	R209-K213 WeakPolarHBondContact O-CB 3.44Å; R209-K213 PolarHBondContact O-N 3.38Å; E210-K213 PolarHBondContact O-N 3.16Å; K213-K217 WeakPolarHBondContact O-CG 3.36Å; K213-K217 PolarHBondContact O-N 2.91Å; K213-I240 WeakPolarHBondContact CE-O 2.87Å; K213-I240 HydrophobicContact CG-CG2 4.29Å; K213-C243 HydrophobicContact CB-CB 3.73Å; K213-C243 HydrophobicContact CG-CB 4.04Å; K213-D244 IonicContact NZ-OD2 3.71Å; K213-D244 PolarHBondContact NZ-OD2 3.03Å
214	Q	97.1	Very high	96.6	Very high	80 Å²	80	39.9 Å²	39.9	37%	0.374	20%	0.196	S	C	.	.	H	α-helix	trans	-66.4	-46.8	175.8	-179.7	173	-13.6	0	0	111.7	E210 N211 L212 F216 K217 Q218	E210-Q214 WeakPolarHBondContact O-CB 3.29Å; E210-Q214 PolarHBondContact O-N 3.3Å; N211-Q214 PolarHBondContact O-N 3.29Å; L212-Q214 VanDerWaalsContact C-N 3.33Å; L212-Q214 PolarHBondContact O-N 2.91Å; Q214-F216 PolarHBondContact O-N 2.94Å; Q214-K217 PolarHBondContact O-N 2.8Å; Q214-Q218 HydrophobicContact CG-CG 4.24Å; Q214-Q218 WeakPolarHBondContact O-CB 3.32Å; Q214-Q218 WeakPolarHBondContact O-CG 3.45Å; Q214-Q218 PolarHBondContact O-N 3.41Å
215	N	97.3	Very high	96.5	Very high	19 Å²	19	45.1 Å²	45.1	10%	0.102	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-43.4	179.4	167.8	69	0	0	0	112.6	N211 L212 Q218 N219 Y223 V268	N211-N215 WeakPolarHBondContact O-CB 3.18Å; N211-N215 PolarHBondContact O-N 3.42Å; L212-N215 PolarHBondContact O-N 2.93Å; N215-Q218 PolarHBondContact O-N 2.93Å; N215-N219 WeakPolarHBondContact O-CB 3.42Å; N215-N219 PolarHBondContact O-N 2.82Å; N215-N219 PolarHBondContact O-ND2 2.69Å; N215-N219 PolarHBondContact OD1-ND2 2.94Å; N215-Y223 PolarHBondContact ND2-OH 3.05Å; N215-V268 HydrophobicContact CB-CG2 3.65Å
216	F	97.8	Very high	96.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-41.7	174.2	-77.5	-55.9	0	0	0	112.2	L212 Q214 L220 Y223 W236 I239 I240 C243 I260 H261	L212-F216 HydrophobicContact CD1-CD2 3.98Å; L212-F216 HydrophobicContact CD1-CE2 3.45Å; L212-F216 VanDerWaalsContact CD1-CE2 3.45Å; L212-F216 HydrophobicContact CD1-CZ 4.02Å; L212-F216 HydrophobicContact CD2-CE2 4.24Å; L212-F216 HydrophobicContact CG-CD2 3.96Å; L212-F216 HydrophobicContact CG-CE2 3.64Å; L212-F216 VanDerWaalsContact O-CD2 3.3Å; L212-F216 WeakPolarHBondContact O-CD2 3.19Å; L212-F216 PolarHBondContact O-N 3.02Å; Q214-F216 PolarHBondContact O-N 2.94Å; F216-L220 VanDerWaalsContact O-CA 3.23Å; F216-L220 WeakPolarHBondContact O-CA 3.49Å; F216-L220 VanDerWaalsContact O-CB 3.31Å; F216-L220 WeakPolarHBondContact O-CB 3.42Å; F216-L220 PolarHBondContact O-N 3.14Å; F216-Y223 HydrophobicContact CD1-CD1 4.28Å; F216-Y223 AromaticContact CD1-CD2 3.65Å; F216-Y223 HydrophobicContact CD1-CD2 3.65Å; F216-Y223 HydrophobicContact CD1-CE1 4.2Å; F216-Y223 AromaticContact CD1-CE2 3.54Å; F216-Y223 HydrophobicContact CD1-CE2 3.54Å; F216-Y223 HydrophobicContact CD1-CG 4.04Å; F216-Y223 AromaticContact CD1-CZ 3.86Å; F216-Y223 HydrophobicContact CE1-CD1 4.07Å; F216-Y223 HydrophobicContact CE1-CD2 4.24Å; F216-Y223 AromaticContact CE1-CE1 3.83Å; F216-Y223 HydrophobicContact CE1-CE1 3.83Å; F216-Y223 AromaticContact CE1-CE2 4Å; F216-Y223 HydrophobicContact CE1-CE2 4Å; F216-Y223 HydrophobicContact CE1-CG 4.29Å; F216-Y223 AromaticContact CE1-CZ 3.81Å; F216-Y223 HydrophobicContact CG-CE2 4.48Å; F216-W236 HydrophobicContact CD1-CZ3 4.23Å; F216-W236 HydrophobicContact CE1-CZ3 4.27Å; F216-I239 HydrophobicContact CD2-CG2 4.38Å; F216-I239 HydrophobicContact CE1-CG2 4.43Å; F216-I239 HydrophobicContact CE2-CG2 4.09Å; F216-I239 HydrophobicContact CZ-CG2 4.13Å; F216-I240 HydrophobicContact CB-CD1 4.41Å; F216-I240 HydrophobicContact CB-CG1 3.85Å; F216-C243 VanDerWaalsContact CD2-SG 3.58Å; F216-I260 HydrophobicContact CE1-CD1 4.34Å; F216-I260 HydrophobicContact CE1-CG1 3.98Å; F216-I260 HydrophobicContact CZ-CG1 4.03Å; F216-I260 WeakPolarHBondContact CZ-O 3.49Å; F216-H261 AromaticContact CE2-CD2 3.82Å
217	K	97	Very high	96.2	Very high	129 Å²	129	47 Å²	47	56%	0.561	24%	0.235	S	C	*	.	H	α-helix	trans	-66	-36.9	177	-74.8	-177.4	175.6	-164.7	0	113.2	K213 Q214 I240	K213-K217 WeakPolarHBondContact O-CG 3.36Å; K213-K217 PolarHBondContact O-N 2.91Å; Q214-K217 PolarHBondContact O-N 2.8Å; K217-I240 HydrophobicContact CD-CG2 4.25Å; K217-I240 HydrophobicContact CG-CD1 4.19Å; K217-I240 HydrophobicContact CG-CG2 3.91Å
218	Q	96.2	Very high	95.9	Very high	135 Å²	135	52.9 Å²	52.9	63%	0.631	26%	0.263	S	S	*	.	H	α-helix	trans	-76.6	-34.1	-179.4	-73.7	179.2	-35.1	0	0	113.1	Q214 N215	Q214-Q218 HydrophobicContact CG-CG 4.24Å; Q214-Q218 WeakPolarHBondContact O-CB 3.32Å; Q214-Q218 WeakPolarHBondContact O-CG 3.45Å; Q214-Q218 PolarHBondContact O-N 3.41Å; N215-Q218 PolarHBondContact O-N 2.93Å
219	N	96.2	Very high	95.4	Very high	56 Å²	56	58.9 Å²	58.9	30%	0.299	30%	0.295	S	S	.	.	S	Bend	trans	-110	21	-175.6	-63.3	-67.1	0	0	0	113	N215 D221 C222 Y223 L296	N215-N219 WeakPolarHBondContact O-CB 3.42Å; N215-N219 PolarHBondContact O-N 2.82Å; N215-N219 PolarHBondContact O-ND2 2.69Å; N215-N219 PolarHBondContact OD1-ND2 2.94Å; N219-D221 VanDerWaalsContact C-N 3.32Å; N219-D221 PolarHBondContact O-N 3.12Å; N219-C222 WeakPolarHBondContact O-CB 3.28Å; N219-C222 PolarHBondContact O-N 2.76Å; N219-C222 VanDerWaalsContact O-N 3.08Å; N219-Y223 HydrophobicContact CB-CD2 3.92Å; N219-Y223 HydrophobicContact CB-CE2 3.82Å; N219-Y223 VanDerWaalsContact O-CD2 3.28Å; N219-Y223 WeakPolarHBondContact O-CD2 3.38Å; N219-Y223 PolarHBondContact O-N 3.24Å; N219-L296 HydrophobicContact CB-CD1 4.38Å
220	L	95.9	Very high	94.9	Very high	37 Å²	37	64.5 Å²	64.5	19%	0.194	32%	0.32	C	S	.	.	H	α-helix	trans	-56.8	-41.9	-167.6	-175.9	53.1	0	0	0	113.4	F216 Y223 K224 W236 I240	F216-L220 VanDerWaalsContact O-CA 3.23Å; F216-L220 WeakPolarHBondContact O-CA 3.49Å; F216-L220 VanDerWaalsContact O-CB 3.31Å; F216-L220 WeakPolarHBondContact O-CB 3.42Å; F216-L220 PolarHBondContact O-N 3.14Å; L220-Y223 WeakPolarHBondContact O-CB 3.43Å; L220-Y223 PolarHBondContact O-N 3.25Å; L220-K224 HydrophobicContact CD1-CD 4.35Å; L220-K224 HydrophobicContact CD1-CG 4.28Å; L220-K224 HydrophobicContact CG-CD 4.15Å; L220-K224 WeakPolarHBondContact O-CG 3.21Å; L220-K224 PolarHBondContact O-N 3.36Å; L220-W236 HydrophobicContact CD1-CB 4.12Å; L220-W236 HydrophobicContact CD1-CD2 4Å; L220-W236 HydrophobicContact CD1-CE3 3.8Å; L220-W236 HydrophobicContact CD1-CG 4.14Å; L220-I240 HydrophobicContact CD1-CD1 4.09Å; L220-I240 HydrophobicContact CD2-CD1 4.22Å
221	D	95.2	Very high	94.5	Very high	114 Å²	114	63.9 Å²	63.9	61%	0.61	32%	0.317	S	S	*	.	H	α-helix	trans	-71	-34.2	-178.9	-57.2	-41.4	0	0	0	111.7	N219 Y223 K224 N225	N219-D221 VanDerWaalsContact C-N 3.32Å; N219-D221 PolarHBondContact O-N 3.12Å; D221-Y223 VanDerWaalsContact C-N 3.34Å; D221-K224 PolarHBondContact O-N 3.45Å; D221-N225 VanDerWaalsContact O-CB 3.29Å; D221-N225 WeakPolarHBondContact O-CB 3.1Å; D221-N225 PolarHBondContact O-N 3.45Å; D221-N225 PolarHBondContact O-ND2 2.67Å; D221-N225 VanDerWaalsContact O-ND2 3.15Å
222	C	94.4	Very high	94.1	Very high	67 Å²	67	68.7 Å²	68.7	45%	0.453	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-41	170.8	-60.4	0	0	0	0	111.4	N219 L226 L296	N219-C222 WeakPolarHBondContact O-CB 3.28Å; N219-C222 PolarHBondContact O-N 2.76Å; N219-C222 VanDerWaalsContact O-N 3.08Å; C222-L226 VanDerWaalsContact O-CB 3.27Å; C222-L226 WeakPolarHBondContact O-CB 3.14Å; C222-L226 PolarHBondContact O-N 3.36Å; C222-L296 HydrophobicContact CB-CD2 4.46Å
223	Y	95.7	Very high	93.7	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-65.9	-46.1	175.2	-81.8	-64.6	0	0	0	112.3	N215 F216 N219 L220 D221 L226 F227 W236 I260 F263 L296	N215-Y223 PolarHBondContact ND2-OH 3.05Å; F216-Y223 HydrophobicContact CD1-CD1 4.28Å; F216-Y223 AromaticContact CD1-CD2 3.65Å; F216-Y223 HydrophobicContact CD1-CD2 3.65Å; F216-Y223 HydrophobicContact CD1-CE1 4.2Å; F216-Y223 AromaticContact CD1-CE2 3.54Å; F216-Y223 HydrophobicContact CD1-CE2 3.54Å; F216-Y223 HydrophobicContact CD1-CG 4.04Å; F216-Y223 AromaticContact CD1-CZ 3.86Å; F216-Y223 HydrophobicContact CE1-CD1 4.07Å; F216-Y223 HydrophobicContact CE1-CD2 4.24Å; F216-Y223 AromaticContact CE1-CE1 3.83Å; F216-Y223 HydrophobicContact CE1-CE1 3.83Å; F216-Y223 AromaticContact CE1-CE2 4Å; F216-Y223 HydrophobicContact CE1-CE2 4Å; F216-Y223 HydrophobicContact CE1-CG 4.29Å; F216-Y223 AromaticContact CE1-CZ 3.81Å; F216-Y223 HydrophobicContact CG-CE2 4.48Å; N219-Y223 HydrophobicContact CB-CD2 3.92Å; N219-Y223 HydrophobicContact CB-CE2 3.82Å; N219-Y223 VanDerWaalsContact O-CD2 3.28Å; N219-Y223 WeakPolarHBondContact O-CD2 3.38Å; N219-Y223 PolarHBondContact O-N 3.24Å; L220-Y223 WeakPolarHBondContact O-CB 3.43Å; L220-Y223 PolarHBondContact O-N 3.25Å; D221-Y223 VanDerWaalsContact C-N 3.34Å; Y223-L226 PolarHBondContact O-N 3.37Å; Y223-F227 HydrophobicContact CD1-CD2 4.38Å; Y223-F227 HydrophobicContact CD1-CE2 4.14Å; Y223-F227 WeakPolarHBondContact O-CD2 3.32Å; Y223-F227 PolarHBondContact O-N 3.23Å; Y223-F227 VanDerWaalsContact O-N 3.09Å; Y223-W236 HydrophobicContact CD1-CH2 4.37Å; Y223-W236 HydrophobicContact CG-CH2 4.31Å; Y223-W236 HydrophobicContact CG-CZ3 4.25Å; Y223-I260 HydrophobicContact CD1-CD1 4.25Å; Y223-I260 HydrophobicContact CE1-CD1 4.47Å; Y223-F263 HydrophobicContact CD1-CD1 4.45Å; Y223-F263 HydrophobicContact CD1-CE1 4.36Å; Y223-F263 AromaticContact CE1-CD1 3.72Å; Y223-F263 HydrophobicContact CE1-CD1 3.72Å; Y223-F263 AromaticContact CE1-CE1 3.73Å; Y223-F263 HydrophobicContact CE1-CE1 3.73Å; Y223-L296 HydrophobicContact CD1-CD1 4.21Å; Y223-L296 HydrophobicContact CD2-CD1 4.22Å; Y223-L296 HydrophobicContact CE1-CD1 3.71Å; Y223-L296 HydrophobicContact CE2-CD1 3.74Å; Y223-L296 HydrophobicContact CG-CD1 4.42Å; Y223-L296 VanDerWaalsContact CZ-CD1 3.43Å
224	K	94.4	Very high	93.3	Very high	69 Å²	69	74.7 Å²	74.7	30%	0.3	40%	0.398	S	S	.	.	H	α-helix	trans	-59.4	-48.3	175.3	-76.4	175.5	175.2	178.7	0	111.5	L220 D221 L226 F227 Q228 W236	L220-K224 HydrophobicContact CD1-CD 4.35Å; L220-K224 HydrophobicContact CD1-CG 4.28Å; L220-K224 HydrophobicContact CG-CD 4.15Å; L220-K224 WeakPolarHBondContact O-CG 3.21Å; L220-K224 PolarHBondContact O-N 3.36Å; D221-K224 PolarHBondContact O-N 3.45Å; K224-L226 VanDerWaalsContact C-N 3.3Å; K224-L226 PolarHBondContact O-N 3.25Å; K224-F227 CarbonylContact O-C 3.59Å; K224-F227 PolarHBondContact O-N 3.47Å; K224-Q228 WeakPolarHBondContact O-CA 3.13Å; K224-Q228 WeakPolarHBondContact O-CB 3.31Å; K224-Q228 PolarHBondContact O-N 2.87Å; K224-W236 HydrophobicContact CG-CD2 4.25Å; K224-W236 HydrophobicContact CG-CG 4.14Å
225	N	93	Very high	93	Very high	116 Å²	116	74.1 Å²	74.1	62%	0.62	40%	0.396	S	S	*	.	H	α-helix	trans	-65.2	-30.8	179.3	-66.5	-20.2	0	0	0	113.2	D221	D221-N225 VanDerWaalsContact O-CB 3.29Å; D221-N225 WeakPolarHBondContact O-CB 3.1Å; D221-N225 PolarHBondContact O-N 3.45Å; D221-N225 PolarHBondContact O-ND2 2.67Å; D221-N225 VanDerWaalsContact O-ND2 3.15Å
226	L	92.9	Very high	92.9	Very high	65 Å²	65	73.4 Å²	73.4	34%	0.34	39%	0.392	S	S	.	.	H	α-helix	trans	-79	-27.3	178.8	-174.9	60.4	0	0	0	113.2	C222 Y223 K224 F263 L296 V350	C222-L226 VanDerWaalsContact O-CB 3.27Å; C222-L226 WeakPolarHBondContact O-CB 3.14Å; C222-L226 PolarHBondContact O-N 3.36Å; Y223-L226 PolarHBondContact O-N 3.37Å; K224-L226 VanDerWaalsContact C-N 3.3Å; K224-L226 PolarHBondContact O-N 3.25Å; L226-F263 HydrophobicContact CD2-CE1 3.77Å; L226-F263 HydrophobicContact CD2-CZ 3.83Å; L226-L296 HydrophobicContact CD2-CD2 4.27Å; L226-V350 HydrophobicContact CD2-CG1 4.45Å
227	F	92.6	Very high	92.6	Very high	6 Å²	6	80.5 Å²	80.5	3%	0.026	43%	0.425	C	S	.	.	H	α-helix	trans	-121.7	14	-174.2	-64.2	-74.9	0	0	0	114.2	Y223 K224 D229 F230 I231 W236 I260 F263 W348	Y223-F227 HydrophobicContact CD1-CD2 4.38Å; Y223-F227 HydrophobicContact CD1-CE2 4.14Å; Y223-F227 WeakPolarHBondContact O-CD2 3.32Å; Y223-F227 PolarHBondContact O-N 3.23Å; Y223-F227 VanDerWaalsContact O-N 3.09Å; K224-F227 CarbonylContact O-C 3.59Å; K224-F227 PolarHBondContact O-N 3.47Å; F227-D229 PolarHBondContact O-N 3.4Å; F227-D229 VanDerWaalsContact O-N 3.09Å; F227-F230 CarbonylContact O-C 3.58Å; F227-F230 WeakPolarHBondContact O-CA 3.2Å; F227-F230 PolarHBondContact O-N 3.26Å; F227-I231 HydrophobicContact CB-CB 4.31Å; F227-I231 HydrophobicContact CB-CD1 3.91Å; F227-I231 HydrophobicContact CB-CG1 4.09Å; F227-I231 HydrophobicContact CD1-CD1 4.46Å; F227-I231 HydrophobicContact CG-CD1 4.13Å; F227-I231 PolarHBondContact O-N 3Å; F227-W236 HydrophobicContact CB-CZ2 4.13Å; F227-W236 HydrophobicContact CD2-CH2 4.31Å; F227-I260 HydrophobicContact CD2-CD1 3.84Å; F227-I260 HydrophobicContact CE2-CD1 3.53Å; F227-I260 HydrophobicContact CZ-CD1 3.97Å; F227-F263 AromaticContact CE2-CD1 3.77Å; F227-F263 HydrophobicContact CE2-CD1 3.77Å; F227-F263 AromaticContact CE2-CE1 3.72Å; F227-F263 HydrophobicContact CE2-CE1 3.72Å; F227-F263 AromaticContact CZ-CD1 3.78Å; F227-F263 HydrophobicContact CZ-CD1 3.78Å; F227-F263 AromaticContact CZ-CE1 3.86Å; F227-F263 HydrophobicContact CZ-CE1 3.86Å; F227-F263 HydrophobicContact CZ-CG 4.47Å; F227-W348 HydrophobicContact CD1-CH2 4.23Å; F227-W348 HydrophobicContact CD1-CZ3 4.49Å; F227-W348 HydrophobicContact CE1-CE3 4.09Å; F227-W348 AromaticContact CE1-CH2 3.55Å; F227-W348 HydrophobicContact CE1-CH2 3.55Å; F227-W348 HydrophobicContact CE1-CZ2 4.28Å; F227-W348 AromaticContact CE1-CZ3 3.44Å; F227-W348 HydrophobicContact CE1-CZ3 3.44Å; F227-W348 VanDerWaalsContact CE1-CZ3 3.44Å; F227-W348 HydrophobicContact CE2-CZ3 4.31Å; F227-W348 HydrophobicContact CZ-CE3 4.02Å; F227-W348 AromaticContact CZ-CH2 3.88Å; F227-W348 HydrophobicContact CZ-CH2 3.88Å; F227-W348 AromaticContact CZ-CZ3 3.34Å; F227-W348 HydrophobicContact CZ-CZ3 3.34Å
228	Q	91.5	Very high	92.3	Very high	124 Å²	124	78.6 Å²	78.6	58%	0.579	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-33.1	-177.9	50.4	162.1	59.5	0	0	114.2	K224 F230	K224-Q228 WeakPolarHBondContact O-CA 3.13Å; K224-Q228 WeakPolarHBondContact O-CB 3.31Å; K224-Q228 PolarHBondContact O-N 2.87Å; Q228-F230 VanDerWaalsContact C-N 3.29Å; Q228-F230 PolarHBondContact O-N 2.89Å
229	D	88.6	Confident	92.1	Very high	126 Å²	126	72.1 Å²	72.1	67%	0.674	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	3.1	-178.1	-46.7	-49.3	0	0	0	112.5	F227	F227-D229 PolarHBondContact O-N 3.4Å; F227-D229 VanDerWaalsContact O-N 3.09Å
230	F	85.8	Confident	92	Very high	128 Å²	128	70.2 Å²	70.2	56%	0.561	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.7	-24.9	-170	-59.6	-80.1	0	0	0	115.3	F227 Q228	F227-F230 CarbonylContact O-C 3.58Å; F227-F230 WeakPolarHBondContact O-CA 3.2Å; F227-F230 PolarHBondContact O-N 3.26Å; Q228-F230 VanDerWaalsContact C-N 3.29Å; Q228-F230 PolarHBondContact O-N 2.89Å
231	I	89.3	Confident	91.8	Very high	19 Å²	19	71.8 Å²	71.8	10%	0.097	39%	0.389	C	S	.	.	S	Bend	trans	-134.3	114.2	-177.1	-58.4	178.5	0	0	0	108.6	F227 E235 W236 I239 I260	F227-I231 HydrophobicContact CB-CB 4.31Å; F227-I231 HydrophobicContact CB-CD1 3.91Å; F227-I231 HydrophobicContact CB-CG1 4.09Å; F227-I231 HydrophobicContact CD1-CD1 4.46Å; F227-I231 HydrophobicContact CG-CD1 4.13Å; F227-I231 PolarHBondContact O-N 3Å; I231-E235 HydrophobicContact CG2-CB 3.9Å; I231-W236 HydrophobicContact CB-CZ2 4.04Å; I231-W236 HydrophobicContact CD1-CH2 4.05Å; I231-W236 HydrophobicContact CD1-CZ2 3.88Å; I231-W236 HydrophobicContact CG2-CD2 4.49Å; I231-W236 HydrophobicContact CG2-CZ2 3.86Å; I231-I239 HydrophobicContact CD1-CD1 4.36Å; I231-I239 HydrophobicContact CG2-CD1 3.74Å; I231-I260 HydrophobicContact CD1-CB 4.38Å; I231-I260 HydrophobicContact CD1-CD1 4.28Å; I231-I260 HydrophobicContact CD1-CG1 4.15Å
232	D	90.3	Very high	91.7	Very high	122 Å²	122	66.5 Å²	66.5	65%	0.652	36%	0.36	S	S	*	.			trans	-58.6	146	-179.6	-92.6	-49.3	0	0	0	112.4	A234 E235	D232-A234 PolarHBondContact O-N 3.32Å; D232-E235 HydrophobicContact CB-CG 4.49Å; D232-E235 PolarHBondContact O-N 3.21Å
233	A	89	Confident	91.6	Very high	76 Å²	76	63.3 Å²	63.3	63%	0.628	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.3	-175.2	0	0	0	0	0	114
234	A	89.8	Confident	91.5	Very high	80 Å²	80	65.5 Å²	65.5	66%	0.661	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-32	177.7	0	0	0	0	0	113.9	D232 W236 E237	D232-A234 PolarHBondContact O-N 3.32Å; A234-W236 PolarHBondContact O-N 3.47Å; A234-W236 VanDerWaalsContact O-N 3.09Å; A234-E237 PolarHBondContact O-N 3.26Å
235	E	90.9	Very high	91.2	Very high	69 Å²	69	62.5 Å²	62.5	32%	0.322	34%	0.338	S	S	.	.	H	α-helix	trans	-63.5	-19.6	-178.7	-76.3	-162.8	-142.3	0	0	113.1	I231 D232 E237 D238 I239 R258	I231-E235 HydrophobicContact CG2-CB 3.9Å; D232-E235 HydrophobicContact CB-CG 4.49Å; D232-E235 PolarHBondContact O-N 3.21Å; E235-E237 VanDerWaalsContact C-N 3.27Å; E235-E237 PolarHBondContact O-N 3.12Å; E235-D238 PolarHBondContact O-N 3.27Å; E235-D238 VanDerWaalsContact O-N 3.15Å; E235-I239 HydrophobicContact CB-CD1 4.34Å; E235-I239 WeakPolarHBondContact O-CG1 3.34Å; E235-I239 PolarHBondContact O-N 3.43Å; E235-R258 IonicContact OE2-CZ 2.78Å; E235-R258 IonicContact OE2-NH1 3.2Å; E235-R258 PolarHBondContact OE2-NH1 2.99Å; E235-R258 IonicContact OE2-NH2 2.72Å; E235-R258 PolarHBondContact OE2-NH2 3.41Å
236	W	93.5	Very high	91	Very high	4 Å²	4	62.7 Å²	62.7	2%	0.015	34%	0.339	C	S	.	.	H	α-helix	trans	-64.6	-27.5	-177	-73.6	96.7	0	0	0	114.2	F216 L220 Y223 K224 F227 I231 A234 I239 I240 I260	F216-W236 HydrophobicContact CD1-CZ3 4.23Å; F216-W236 HydrophobicContact CE1-CZ3 4.27Å; L220-W236 HydrophobicContact CD1-CB 4.12Å; L220-W236 HydrophobicContact CD1-CD2 4Å; L220-W236 HydrophobicContact CD1-CE3 3.8Å; L220-W236 HydrophobicContact CD1-CG 4.14Å; Y223-W236 HydrophobicContact CD1-CH2 4.37Å; Y223-W236 HydrophobicContact CG-CH2 4.31Å; Y223-W236 HydrophobicContact CG-CZ3 4.25Å; K224-W236 HydrophobicContact CG-CD2 4.25Å; K224-W236 HydrophobicContact CG-CG 4.14Å; F227-W236 HydrophobicContact CB-CZ2 4.13Å; F227-W236 HydrophobicContact CD2-CH2 4.31Å; I231-W236 HydrophobicContact CB-CZ2 4.04Å; I231-W236 HydrophobicContact CD1-CH2 4.05Å; I231-W236 HydrophobicContact CD1-CZ2 3.88Å; I231-W236 HydrophobicContact CG2-CD2 4.49Å; I231-W236 HydrophobicContact CG2-CZ2 3.86Å; A234-W236 PolarHBondContact O-N 3.47Å; A234-W236 VanDerWaalsContact O-N 3.09Å; W236-I239 HydrophobicContact CD2-CD1 4.22Å; W236-I239 HydrophobicContact CE3-CB 4.45Å; W236-I239 HydrophobicContact CE3-CD1 3.99Å; W236-I239 HydrophobicContact CE3-CG2 4.3Å; W236-I239 HydrophobicContact CH2-CD1 4.41Å; W236-I239 HydrophobicContact CZ3-CD1 4.09Å; W236-I239 HydrophobicContact CZ3-CG2 4.23Å; W236-I240 WeakPolarHBondContact O-CB 3.38Å; W236-I240 WeakPolarHBondContact O-CD1 3.31Å; W236-I240 VanDerWaalsContact O-CG1 3.23Å; W236-I240 WeakPolarHBondContact O-CG1 3.35Å; W236-I240 PolarHBondContact O-N 2.89Å; W236-I240 VanDerWaalsContact O-N 3.14Å; W236-I260 HydrophobicContact CH2-CD1 4.02Å; W236-I260 HydrophobicContact CH2-CG1 4.04Å; W236-I260 HydrophobicContact CZ3-CG1 4.26Å
237	E	91.7	Very high	90.7	Very high	148 Å²	148	62.2 Å²	62.2	69%	0.692	33%	0.334	S	S	*	.	H	α-helix	trans	-70.1	-44.1	172.9	-62.2	-163.3	169.1	0	0	110.5	A234 E235 I240 N241	A234-E237 PolarHBondContact O-N 3.26Å; E235-E237 VanDerWaalsContact C-N 3.27Å; E235-E237 PolarHBondContact O-N 3.12Å; E237-I240 PolarHBondContact O-N 3.3Å; E237-N241 WeakPolarHBondContact O-CB 3.21Å; E237-N241 PolarHBondContact O-N 2.65Å; E237-N241 PolarHBondContact O-ND2 3.45Å; E237-N241 VanDerWaalsContact O-ND2 3.07Å
238	D	90.4	Very high	90	Very high	89 Å²	89	68 Å²	68	48%	0.476	36%	0.364	S	S	.	.	H	α-helix	trans	-63.4	-43	175.3	-69.8	-36.7	0	0	0	112.2	E235 I240 N241 E242	E235-D238 PolarHBondContact O-N 3.27Å; E235-D238 VanDerWaalsContact O-N 3.15Å; D238-I240 VanDerWaalsContact C-N 3.3Å; D238-I240 PolarHBondContact O-N 3.11Å; D238-N241 CarbonylContact O-C 3.51Å; D238-N241 PolarHBondContact O-N 2.88Å; D238-N241 VanDerWaalsContact O-N 3.1Å; D238-E242 WeakPolarHBondContact O-CB 3.36Å; D238-E242 WeakPolarHBondContact O-CG 3.18Å; D238-E242 PolarHBondContact O-N 2.93Å
239	I	92.6	Very high	89.2	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-57.8	-42.5	174.1	-68.4	166.1	0	0	0	111.1	F216 I231 E235 W236 N241 C243 R258 I260 H261	F216-I239 HydrophobicContact CD2-CG2 4.38Å; F216-I239 HydrophobicContact CE1-CG2 4.43Å; F216-I239 HydrophobicContact CE2-CG2 4.09Å; F216-I239 HydrophobicContact CZ-CG2 4.13Å; I231-I239 HydrophobicContact CD1-CD1 4.36Å; I231-I239 HydrophobicContact CG2-CD1 3.74Å; E235-I239 HydrophobicContact CB-CD1 4.34Å; E235-I239 WeakPolarHBondContact O-CG1 3.34Å; E235-I239 PolarHBondContact O-N 3.43Å; W236-I239 HydrophobicContact CD2-CD1 4.22Å; W236-I239 HydrophobicContact CE3-CB 4.45Å; W236-I239 HydrophobicContact CE3-CD1 3.99Å; W236-I239 HydrophobicContact CE3-CG2 4.3Å; W236-I239 HydrophobicContact CH2-CD1 4.41Å; W236-I239 HydrophobicContact CZ3-CD1 4.09Å; W236-I239 HydrophobicContact CZ3-CG2 4.23Å; I239-N241 VanDerWaalsContact C-N 3.33Å; I239-C243 PolarHBondContact O-SG 3.33Å; I239-R258 VanDerWaalsContact CG1-NH2 3.28Å; I239-I260 HydrophobicContact CD1-CG2 4.24Å; I239-I260 HydrophobicContact CG1-CG2 4.34Å; I239-I260 HydrophobicContact CG2-CG2 4.15Å; I239-H261 PolarHBondContact O-NE2 3.19Å
240	I	95.1	Very high	88.8	Confident	15 Å²	15	62.6 Å²	62.6	8%	0.077	35%	0.346	C	S	.	.	H	α-helix	trans	-72.4	-28.7	178.7	-71.3	169.2	0	0	0	111.7	K213 F216 K217 L220 W236 E237 D238	K213-I240 WeakPolarHBondContact CE-O 2.87Å; K213-I240 HydrophobicContact CG-CG2 4.29Å; F216-I240 HydrophobicContact CB-CD1 4.41Å; F216-I240 HydrophobicContact CB-CG1 3.85Å; K217-I240 HydrophobicContact CD-CG2 4.25Å; K217-I240 HydrophobicContact CG-CD1 4.19Å; K217-I240 HydrophobicContact CG-CG2 3.91Å; L220-I240 HydrophobicContact CD1-CD1 4.09Å; L220-I240 HydrophobicContact CD2-CD1 4.22Å; W236-I240 WeakPolarHBondContact O-CB 3.38Å; W236-I240 WeakPolarHBondContact O-CD1 3.31Å; W236-I240 VanDerWaalsContact O-CG1 3.23Å; W236-I240 WeakPolarHBondContact O-CG1 3.35Å; W236-I240 PolarHBondContact O-N 2.89Å; W236-I240 VanDerWaalsContact O-N 3.14Å; E237-I240 PolarHBondContact O-N 3.3Å; D238-I240 VanDerWaalsContact C-N 3.3Å; D238-I240 PolarHBondContact O-N 3.11Å
241	N	92.1	Very high	87.9	Confident	71 Å²	71	66 Å²	66	38%	0.38	36%	0.364	S	S	.	.	H	α-helix	trans	-79.5	-40.3	176.5	-68.1	-29.3	0	0	0	112.1	E237 D238 I239 C243 D244 F247	E237-N241 WeakPolarHBondContact O-CB 3.21Å; E237-N241 PolarHBondContact O-N 2.65Å; E237-N241 PolarHBondContact O-ND2 3.45Å; E237-N241 VanDerWaalsContact O-ND2 3.07Å; D238-N241 CarbonylContact O-C 3.51Å; D238-N241 PolarHBondContact O-N 2.88Å; D238-N241 VanDerWaalsContact O-N 3.1Å; I239-N241 VanDerWaalsContact C-N 3.33Å; N241-C243 PolarHBondContact O-N 3.46Å; N241-D244 WeakPolarHBondContact O-CB 3.43Å; N241-D244 PolarHBondContact O-N 3.21Å; N241-F247 HydrophobicContact CB-CD2 4.36Å; N241-F247 HydrophobicContact CB-CE2 4.22Å; N241-F247 WeakPolarHBondContact O-CD2 3.42Å
242	E	91.8	Very high	86.7	Confident	3 Å²	3	69.1 Å²	69.1	1%	0.014	40%	0.401	C	S	.	.	H	α-helix	trans	-50.6	-30.1	171.7	-84	-178.7	-116.2	0	0	112	R209 D238 F247 L257 R258 H261	R209-E242 PolarHBondContact NH1-O 3.04Å; D238-E242 WeakPolarHBondContact O-CB 3.36Å; D238-E242 WeakPolarHBondContact O-CG 3.18Å; D238-E242 PolarHBondContact O-N 2.93Å; E242-F247 HydrophobicContact CG-CE1 4.3Å; E242-F247 HydrophobicContact CG-CZ 4.27Å; E242-L257 HydrophobicContact CB-CD2 4.4Å; E242-L257 WeakPolarHBondContact O-CD2 3.44Å; E242-R258 IonicContact OE1-CZ 2.66Å; E242-R258 IonicContact OE1-NE 3.45Å; E242-R258 PolarHBondContact OE1-NE 3.27Å; E242-R258 IonicContact OE1-NH2 3.52Å; E242-R258 PolarHBondContact OE1-NH2 2.83Å; E242-R258 IonicContact OE2-NE 2.67Å; E242-H261 IonicContact OE1-CE1 2.76Å; E242-H261 IonicContact OE2-CE1 3.96Å; E242-H261 PolarHBondContact OE2-CE1 3.18Å; E242-H261 IonicContact OE2-ND1 3.21Å; E242-H261 IonicContact OE2-NE2 3.53Å
243	C	93.7	Very high	85.4	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-19.6	178	-65	0	0	0	0	115	R209 K213 F216 I239 N241 H261	R209-C243 VanDerWaalsContact CB-O 3.27Å; R209-C243 WeakPolarHBondContact CB-O 3.21Å; R209-C243 WeakPolarHBondContact CG-O 3.22Å; R209-C243 PolarHBondContact NH1-O 3.23Å; K213-C243 HydrophobicContact CB-CB 3.73Å; K213-C243 HydrophobicContact CG-CB 4.04Å; F216-C243 VanDerWaalsContact CD2-SG 3.58Å; I239-C243 PolarHBondContact O-SG 3.33Å; N241-C243 PolarHBondContact O-N 3.46Å; C243-H261 PolarHBondContact SG-CD2 2.65Å
244	D	91.9	Very high	83.8	Confident	45 Å²	45	69.2 Å²	69.2	24%	0.241	40%	0.4	C	S	.	.			trans	-61.9	135.9	-173.8	-162.8	-65.6	0	0	0	111.7	R209 K213 N241 L246 F247	R209-D244 PolarHBondContact NH1-O 2.85Å; K213-D244 IonicContact NZ-OD2 3.71Å; K213-D244 PolarHBondContact NZ-OD2 3.03Å; N241-D244 WeakPolarHBondContact O-CB 3.43Å; N241-D244 PolarHBondContact O-N 3.21Å; D244-L246 PolarHBondContact O-N 2.68Å; D244-L246 PolarHBondContact OD1-N 2.79Å; D244-F247 HydrophobicContact CB-CB 4.09Å; D244-F247 WeakPolarHBondContact O-CB 3.43Å; D244-F247 PolarHBondContact O-N 3.14Å; D244-F247 VanDerWaalsContact O-N 3.17Å
245	P	89.6	Confident	82.4	Confident	6 Å²	6	68.3 Å²	68.3	4%	0.039	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-29.5	172.3	-26.7	35.3	0	0	0	114.6	H188 W205 H206 R209 E210	H188-P245 PolarHBondContact CE1-O 3.41Å; H188-P245 VanDerWaalsContact CE1-O 3.26Å; W205-P245 HydrophobicContact CH2-CB 4.07Å; W205-P245 HydrophobicContact CZ3-CB 4Å; H206-P245 VanDerWaalsContact CD2-CB 3.43Å; H206-P245 WeakPolarHBondContact CD2-CB 3.43Å; H206-P245 WeakPolarHBondContact NE2-CB 3.43Å; R209-P245 HydrophobicContact CB-CG 4.05Å; E210-P245 HydrophobicContact CG-CG 3.89Å
246	L	87.4	Confident	81.4	Confident	121 Å²	121	67 Å²	67	63%	0.634	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	17.1	-179.3	-55.6	177.8	0	0	0	112.9	D244 I248	D244-L246 PolarHBondContact O-N 2.68Å; D244-L246 PolarHBondContact OD1-N 2.79Å; L246-I248 PolarHBondContact O-N 3.04Å
247	F	86.3	Confident	81.1	Confident	55 Å²	55	67.1 Å²	67.1	24%	0.241	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-64.7	117.5	177.5	-176.5	-100.3	0	0	0	111.6	N241 E242 D244 P249 L255	N241-F247 HydrophobicContact CB-CD2 4.36Å; N241-F247 HydrophobicContact CB-CE2 4.22Å; N241-F247 WeakPolarHBondContact O-CD2 3.42Å; E242-F247 HydrophobicContact CG-CE1 4.3Å; E242-F247 HydrophobicContact CG-CZ 4.27Å; D244-F247 HydrophobicContact CB-CB 4.09Å; D244-F247 WeakPolarHBondContact O-CB 3.43Å; D244-F247 PolarHBondContact O-N 3.14Å; D244-F247 VanDerWaalsContact O-N 3.17Å; F247-P249 HydrophobicContact CE1-CB 4.07Å; F247-L255 HydrophobicContact CE1-CB 4.25Å; F247-L255 HydrophobicContact CE1-CD1 4.4Å; F247-L255 HydrophobicContact CZ-CD1 3.99Å
248	I	79.1	Confident	80.9	Confident	128 Å²	128	64 Å²	64	66%	0.656	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-103.3	121.4	170.4	-59.2	176	0	0	0	107.6	L246	L246-I248 PolarHBondContact O-N 3.04Å
249	P	75.3	Confident	81	Confident	60 Å²	60	61 Å²	61	39%	0.39	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-68.4	145.2	179.4	29.3	-35.4	0	0	0	111.3	F247 L255	F247-P249 HydrophobicContact CE1-CB 4.07Å; P249-L255 HydrophobicContact CB-CB 4.05Å
250	P	78.5	Confident	81.1	Confident	75 Å²	75	61.2 Å²	61.2	49%	0.487	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-59.6	147.4	175.2	-23.8	34.7	0	0	0	113	G252 V253	P250-G252 PolarHBondContact O-N 2.96Å; P250-V253 HydrophobicContact CB-CG2 4.22Å; P250-V253 PolarHBondContact O-N 3.36Å; P250-V253 VanDerWaalsContact O-N 3.1Å
251	E	68.7	Low	81.2	Confident	200 Å²	200	60.5 Å²	60.5	94%	0.935	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	132.6	-178.1	-68.5	-167.8	163.1	0	0	112.5	V253	E251-V253 PolarHBondContact O-N 2.95Å
252	G	63.8	Low	81.4	Confident	85 Å²	85	57.1 Å²	57.1	88%	0.876	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-9.4	179.5	0	0	0	0	0	115.7	P250	P250-G252 PolarHBondContact O-N 2.96Å
253	V	61.8	Low	81.7	Confident	70 Å²	70	57 Å²	57	42%	0.424	34%	0.335	S	S	.	.			trans	-99.5	115.7	178.2	-161.8	0	0	0	0	110.3	P250 E251 L255	P250-V253 HydrophobicContact CB-CG2 4.22Å; P250-V253 PolarHBondContact O-N 3.36Å; P250-V253 VanDerWaalsContact O-N 3.1Å; E251-V253 PolarHBondContact O-N 2.95Å; V253-L255 HydrophobicContact CB-CG 4.25Å; V253-L255 HydrophobicContact CG1-CD1 4.39Å; V253-L255 HydrophobicContact CG1-CD2 3.77Å; V253-L255 HydrophobicContact CG1-CG 3.66Å; V253-L255 PolarHBondContact O-N 2.88Å
254	P	55.6	Low	81.9	Confident	130 Å²	130	57 Å²	57	84%	0.844	34%	0.335	S	S	*	.			trans	-77.9	66.3	176.6	33.3	-35.6	0	0	0	111.1
255	L	60.6	Low	82.2	Confident	60 Å²	60	54.9 Å²	54.9	31%	0.314	32%	0.323	S	S	.	.			trans	-78.9	135.1	171.2	-61.3	-177.3	0	0	0	110.7	F247 P249 V253	F247-L255 HydrophobicContact CE1-CB 4.25Å; F247-L255 HydrophobicContact CE1-CD1 4.4Å; F247-L255 HydrophobicContact CZ-CD1 3.99Å; P249-L255 HydrophobicContact CB-CB 4.05Å; V253-L255 HydrophobicContact CB-CG 4.25Å; V253-L255 HydrophobicContact CG1-CD1 4.39Å; V253-L255 HydrophobicContact CG1-CD2 3.77Å; V253-L255 HydrophobicContact CG1-CG 3.66Å; V253-L255 PolarHBondContact O-N 2.88Å
256	G	69.8	Low	82.6	Confident	42 Å²	42	54.6 Å²	54.6	43%	0.433	32%	0.321	S	S	.	.			trans	-169.4	153.5	177	0	0	0	0	0	109.2	R258	G256-R258 WeakPolarHBondContact O-CG 3.32Å; G256-R258 PolarHBondContact O-N 3.34Å
257	L	86.9	Confident	83.2	Confident	7 Å²	7	49 Å²	49	4%	0.037	29%	0.292	C	S	.	.			trans	-51.8	101.4	-165.3	-64.1	171.8	0	0	0	113.3	L190 V191 E242 H261 Y325	L190-L257 HydrophobicContact CB-CB 4.24Å; L190-L257 HydrophobicContact CB-CD1 4.09Å; L190-L257 HydrophobicContact CD2-CB 3.6Å; L190-L257 HydrophobicContact CD2-CD1 4.12Å; L190-L257 HydrophobicContact CD2-CG 4.5Å; V191-L257 HydrophobicContact CG1-CD1 4.22Å; E242-L257 HydrophobicContact CB-CD2 4.4Å; E242-L257 WeakPolarHBondContact O-CD2 3.44Å; L257-H261 HydrophobicContact CB-CB 3.97Å; L257-H261 HydrophobicContact CD2-CB 4.15Å; L257-H261 VanDerWaalsContact CD2-CD2 3.44Å; L257-H261 WeakPolarHBondContact CD2-CD2 3.43Å; L257-Y325 PolarHBondContact O-OH 2.73Å
258	R	88.8	Confident	83.7	Confident	82 Å²	82	46.9 Å²	46.9	31%	0.309	28%	0.284	S	S	.	.			trans	-66.7	167	179.2	-56.9	-175.7	-86	160.9	-15.6	113.4	E235 I239 E242 G256 I260 H261	E235-R258 IonicContact OE2-CZ 2.78Å; E235-R258 IonicContact OE2-NH1 3.2Å; E235-R258 PolarHBondContact OE2-NH1 2.99Å; E235-R258 IonicContact OE2-NH2 2.72Å; E235-R258 PolarHBondContact OE2-NH2 3.41Å; I239-R258 VanDerWaalsContact CG1-NH2 3.28Å; E242-R258 IonicContact OE1-CZ 2.66Å; E242-R258 IonicContact OE1-NE 3.45Å; E242-R258 PolarHBondContact OE1-NE 3.27Å; E242-R258 IonicContact OE1-NH2 3.52Å; E242-R258 PolarHBondContact OE1-NH2 2.83Å; E242-R258 IonicContact OE2-NE 2.67Å; G256-R258 WeakPolarHBondContact O-CG 3.32Å; G256-R258 PolarHBondContact O-N 3.34Å; R258-I260 HydrophobicContact CB-CG2 4.3Å; R258-I260 PolarHBondContact O-N 3.45Å; R258-H261 PolarHBondContact N-ND1 3.2Å; R258-H261 WeakPolarHBondContact O-CA 3.28Å; R258-H261 WeakPolarHBondContact O-CB 3.23Å; R258-H261 PolarHBondContact O-N 3.48Å; R258-H261 PolarHBondContact O-ND1 2.86Å
259	N	92.1	Very high	84.6	Confident	26 Å²	26	40.8 Å²	40.8	14%	0.139	25%	0.253	C	S	.	.	H	α-helix	trans	-44.9	-39.2	177.8	-82.2	16.4	0	0	0	115.6	H261 I262 F263 D287 F292 W348	N259-H261 PolarHBondContact O-N 2.86Å; N259-I262 WeakPolarHBondContact O-CA 3.25Å; N259-I262 WeakPolarHBondContact O-CB 3.06Å; N259-I262 PolarHBondContact O-N 2.98Å; N259-F263 PolarHBondContact O-N 2.81Å; N259-D287 PolarHBondContact ND2-O 3.4Å; N259-F292 HydrophobicContact CB-CE1 4.03Å; N259-F292 HydrophobicContact CB-CZ 4.02Å; N259-F292 WeakPolarHBondContact O-CE1 3.39Å; N259-W348 HydrophobicContact CB-CH2 4.43Å; N259-W348 HydrophobicContact CB-CZ2 3.96Å
260	I	94.7	Very high	85.7	Confident	5 Å²	5	39.9 Å²	39.9	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-56.7	-33.6	177.4	-174	57.8	0	0	0	112.1	F216 Y223 F227 I231 W236 I239 R258 F263 G264 W348	F216-I260 HydrophobicContact CE1-CD1 4.34Å; F216-I260 HydrophobicContact CE1-CG1 3.98Å; F216-I260 HydrophobicContact CZ-CG1 4.03Å; F216-I260 WeakPolarHBondContact CZ-O 3.49Å; Y223-I260 HydrophobicContact CD1-CD1 4.25Å; Y223-I260 HydrophobicContact CE1-CD1 4.47Å; F227-I260 HydrophobicContact CD2-CD1 3.84Å; F227-I260 HydrophobicContact CE2-CD1 3.53Å; F227-I260 HydrophobicContact CZ-CD1 3.97Å; I231-I260 HydrophobicContact CD1-CB 4.38Å; I231-I260 HydrophobicContact CD1-CD1 4.28Å; I231-I260 HydrophobicContact CD1-CG1 4.15Å; W236-I260 HydrophobicContact CH2-CD1 4.02Å; W236-I260 HydrophobicContact CH2-CG1 4.04Å; W236-I260 HydrophobicContact CZ3-CG1 4.26Å; I239-I260 HydrophobicContact CD1-CG2 4.24Å; I239-I260 HydrophobicContact CG1-CG2 4.34Å; I239-I260 HydrophobicContact CG2-CG2 4.15Å; R258-I260 HydrophobicContact CB-CG2 4.3Å; R258-I260 PolarHBondContact O-N 3.45Å; I260-F263 HydrophobicContact CD1-CD1 4.24Å; I260-F263 WeakPolarHBondContact O-CB 3.42Å; I260-F263 PolarHBondContact O-N 3.32Å; I260-G264 PolarHBondContact O-N 3.07Å; I260-W348 HydrophobicContact CB-CH2 4Å; I260-W348 HydrophobicContact CB-CZ3 4.43Å; I260-W348 HydrophobicContact CD1-CH2 3.99Å; I260-W348 HydrophobicContact CD1-CZ3 3.91Å
261	H	96.3	Very high	86.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.2	-32.5	174.5	-55.9	92.5	0	0	0	112.5	L190 L212 F216 I239 E242 C243 L257 R258 N259 G264 L265	L190-H261 HydrophobicContact CD2-CB 4.13Å; L212-H261 HydrophobicContact CD2-CB 3.98Å; F216-H261 AromaticContact CE2-CD2 3.82Å; I239-H261 PolarHBondContact O-NE2 3.19Å; E242-H261 IonicContact OE1-CE1 2.76Å; E242-H261 IonicContact OE2-CE1 3.96Å; E242-H261 PolarHBondContact OE2-CE1 3.18Å; E242-H261 IonicContact OE2-ND1 3.21Å; E242-H261 IonicContact OE2-NE2 3.53Å; C243-H261 PolarHBondContact SG-CD2 2.65Å; L257-H261 HydrophobicContact CB-CB 3.97Å; L257-H261 HydrophobicContact CD2-CB 4.15Å; L257-H261 VanDerWaalsContact CD2-CD2 3.44Å; L257-H261 WeakPolarHBondContact CD2-CD2 3.43Å; R258-H261 PolarHBondContact N-ND1 3.2Å; R258-H261 WeakPolarHBondContact O-CA 3.28Å; R258-H261 WeakPolarHBondContact O-CB 3.23Å; R258-H261 PolarHBondContact O-N 3.48Å; R258-H261 PolarHBondContact O-ND1 2.86Å; N259-H261 PolarHBondContact O-N 2.86Å; H261-G264 PolarHBondContact O-N 2.93Å; H261-L265 WeakPolarHBondContact O-CB 3.32Å; H261-L265 VanDerWaalsContact O-CG 3.23Å; H261-L265 WeakPolarHBondContact O-CG 3.17Å; H261-L265 PolarHBondContact O-N 2.89Å
262	I	97.7	Very high	87.9	Confident	0 Å²	0	27 Å²	27	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-71.1	-40.1	174.5	-42.1	178	0	0	0	110	L190 N259 L265 A266 I273 L275 F292 I315 Y325	L190-I262 HydrophobicContact CD1-CD1 4.33Å; L190-I262 HydrophobicContact CD1-CG1 3.96Å; L190-I262 HydrophobicContact CD2-CG1 3.84Å; N259-I262 WeakPolarHBondContact O-CA 3.25Å; N259-I262 WeakPolarHBondContact O-CB 3.06Å; N259-I262 PolarHBondContact O-N 2.98Å; I262-L265 PolarHBondContact O-N 2.88Å; I262-A266 PolarHBondContact O-N 3.17Å; I262-I273 HydrophobicContact CG2-CB 4.15Å; I262-I273 HydrophobicContact CG2-CD1 4.14Å; I262-I273 HydrophobicContact CG2-CG2 3.82Å; I262-L275 HydrophobicContact CD1-CD2 3.68Å; I262-F292 HydrophobicContact CB-CD1 4.07Å; I262-F292 HydrophobicContact CB-CD2 3.9Å; I262-F292 HydrophobicContact CB-CE1 4.06Å; I262-F292 HydrophobicContact CB-CE2 3.9Å; I262-F292 HydrophobicContact CB-CG 3.98Å; I262-F292 HydrophobicContact CB-CZ 3.98Å; I262-F292 HydrophobicContact CD1-CE2 3.79Å; I262-F292 HydrophobicContact CD1-CZ 3.89Å; I262-F292 HydrophobicContact CG1-CE2 4.44Å; I262-F292 HydrophobicContact CG1-CZ 4.42Å; I262-F292 HydrophobicContact CG2-CB 4.26Å; I262-F292 HydrophobicContact CG2-CD1 4.34Å; I262-F292 HydrophobicContact CG2-CD2 3.39Å; I262-F292 HydrophobicContact CG2-CE2 3.73Å; I262-F292 HydrophobicContact CG2-CG 3.73Å; I262-F292 HydrophobicContact CG2-CZ 4.33Å; I262-I315 HydrophobicContact CD1-CD1 4.38Å; I262-I315 HydrophobicContact CG2-CD1 4.21Å; I262-Y325 HydrophobicContact CD1-CE1 3.82Å
263	F	97.6	Very high	89.6	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.1	-45	170.4	-174.5	-116.9	0	0	0	111.4	Y223 L226 F227 N259 I260 L265 A266 N267 F292 L293 W348 V350	Y223-F263 HydrophobicContact CD1-CD1 4.45Å; Y223-F263 HydrophobicContact CD1-CE1 4.36Å; Y223-F263 AromaticContact CE1-CD1 3.72Å; Y223-F263 HydrophobicContact CE1-CD1 3.72Å; Y223-F263 AromaticContact CE1-CE1 3.73Å; Y223-F263 HydrophobicContact CE1-CE1 3.73Å; L226-F263 HydrophobicContact CD2-CE1 3.77Å; L226-F263 HydrophobicContact CD2-CZ 3.83Å; F227-F263 AromaticContact CE2-CD1 3.77Å; F227-F263 HydrophobicContact CE2-CD1 3.77Å; F227-F263 AromaticContact CE2-CE1 3.72Å; F227-F263 HydrophobicContact CE2-CE1 3.72Å; F227-F263 AromaticContact CZ-CD1 3.78Å; F227-F263 HydrophobicContact CZ-CD1 3.78Å; F227-F263 AromaticContact CZ-CE1 3.86Å; F227-F263 HydrophobicContact CZ-CE1 3.86Å; F227-F263 HydrophobicContact CZ-CG 4.47Å; N259-F263 PolarHBondContact O-N 2.81Å; I260-F263 HydrophobicContact CD1-CD1 4.24Å; I260-F263 WeakPolarHBondContact O-CB 3.42Å; I260-F263 PolarHBondContact O-N 3.32Å; F263-L265 PolarHBondContact O-N 2.89Å; F263-A266 PolarHBondContact O-N 3.06Å; F263-N267 PolarHBondContact O-N 3.47Å; F263-N267 VanDerWaalsContact O-N 3.17Å; F263-N267 PolarHBondContact O-ND2 2.85Å; F263-F292 HydrophobicContact CB-CD1 3.86Å; F263-L293 WeakPolarHBondContact CD2-O 3.41Å; F263-L293 WeakPolarHBondContact CE2-O 3.5Å; F263-W348 HydrophobicContact CB-CE3 3.79Å; F263-W348 HydrophobicContact CB-CZ3 3.71Å; F263-W348 HydrophobicContact CD1-CZ3 4.33Å; F263-W348 HydrophobicContact CD2-CE3 4.45Å; F263-W348 HydrophobicContact CG-CE3 4.08Å; F263-W348 HydrophobicContact CG-CZ3 4.08Å; F263-V350 HydrophobicContact CE2-CG1 3.72Å; F263-V350 HydrophobicContact CZ-CG1 3.77Å
264	G	97.9	Very high	91.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.2	-45.5	172.7	0	0	0	0	0	113	L212 I260 H261 A266 N267 V268	L212-G264 VanDerWaalsContact CD1-C 3.46Å; I260-G264 PolarHBondContact O-N 3.07Å; H261-G264 PolarHBondContact O-N 2.93Å; G264-A266 PolarHBondContact O-N 2.62Å; G264-N267 PolarHBondContact O-N 3.28Å; G264-V268 WeakPolarHBondContact O-CG2 3.36Å; G264-V268 PolarHBondContact O-N 2.82Å
265	L	98.5	Very high	93.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.7	-34.9	177.5	-74.1	168.5	0	0	0	112.7	L190 V191 V194 L208 L212 H261 I262 F263 N267 V268 L269 I273	L190-L265 HydrophobicContact CD2-CD1 3.81Å; L190-L265 HydrophobicContact CG-CD1 3.9Å; V191-L265 HydrophobicContact CG1-CD1 3.99Å; V191-L265 HydrophobicContact CG1-CD2 4.28Å; V194-L265 HydrophobicContact CG2-CD1 4.35Å; L208-L265 HydrophobicContact CB-CD2 4.19Å; L208-L265 HydrophobicContact CD2-CD2 4.21Å; L212-L265 HydrophobicContact CB-CD2 4.25Å; L212-L265 HydrophobicContact CD1-CD2 4.41Å; L212-L265 HydrophobicContact CD1-CG 4.12Å; L212-L265 HydrophobicContact CD2-CD2 4.29Å; L212-L265 HydrophobicContact CD2-CG 4.09Å; H261-L265 WeakPolarHBondContact O-CB 3.32Å; H261-L265 VanDerWaalsContact O-CG 3.23Å; H261-L265 WeakPolarHBondContact O-CG 3.17Å; H261-L265 PolarHBondContact O-N 2.89Å; I262-L265 PolarHBondContact O-N 2.88Å; F263-L265 PolarHBondContact O-N 2.89Å; L265-N267 VanDerWaalsContact C-N 3.34Å; L265-V268 PolarHBondContact O-N 2.84Å; L265-L269 WeakPolarHBondContact O-CB 3.28Å; L265-L269 VanDerWaalsContact O-CG 3.27Å; L265-L269 WeakPolarHBondContact O-CG 3.49Å; L265-L269 PolarHBondContact O-N 3.31Å; L265-I273 HydrophobicContact CB-CD1 3.93Å
266	A	98.3	Very high	95	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.4	-44.9	173.4	0	0	0	0	0	111.1	I262 F263 G264 L269 H270 R271 I273 F292 P294	I262-A266 PolarHBondContact O-N 3.17Å; F263-A266 PolarHBondContact O-N 3.06Å; G264-A266 PolarHBondContact O-N 2.62Å; A266-L269 PolarHBondContact O-N 2.78Å; A266-H270 PolarHBondContact O-N 3.02Å; A266-R271 CarbonylContact C-O 3.57Å; A266-R271 VanDerWaalsContact CA-O 3.23Å; A266-R271 WeakPolarHBondContact CA-O 3.27Å; A266-R271 WeakPolarHBondContact CB-O 3.31Å; A266-R271 PolarHBondContact O-N 2.81Å; A266-I273 HydrophobicContact CB-CD1 4.18Å; A266-I273 HydrophobicContact CB-CG1 4.07Å; A266-F292 HydrophobicContact CB-CB 4.08Å; A266-P294 WeakPolarHBondContact O-CB 3.22Å
267	N	98.2	Very high	96.2	Very high	3 Å²	3	8.6 Å²	8.6	2%	0.016	4%	0.038	C	C	.	.	H	α-helix	trans	-63.4	-48	174.6	-70.7	-77.3	0	0	0	111.6	F263 G264 L265 L269 H270 P294 G295 L296 V297	F263-N267 PolarHBondContact O-N 3.47Å; F263-N267 VanDerWaalsContact O-N 3.17Å; F263-N267 PolarHBondContact O-ND2 2.85Å; G264-N267 PolarHBondContact O-N 3.28Å; L265-N267 VanDerWaalsContact C-N 3.34Å; N267-L269 VanDerWaalsContact C-N 3.29Å; N267-L269 PolarHBondContact O-N 2.56Å; N267-H270 PolarHBondContact O-CD2 3.32Å; N267-H270 VanDerWaalsContact O-CD2 3.27Å; N267-H270 PolarHBondContact O-N 2.85Å; N267-H270 VanDerWaalsContact O-N 3.12Å; N267-P294 VanDerWaalsContact OD1-CA 3.31Å; N267-P294 WeakPolarHBondContact OD1-CA 3.17Å; N267-G295 PolarHBondContact OD1-N 2.74Å; N267-L296 WeakPolarHBondContact OD1-CB 3.33Å; N267-L296 PolarHBondContact OD1-N 3.06Å; N267-V297 HydrophobicContact CB-CG2 4.23Å
268	V	98.3	Very high	96.5	Very high	12 Å²	12	8.5 Å²	8.5	7%	0.073	4%	0.038	C	C	.	.	H	α-helix	trans	-56	-39.4	175.8	163.7	0	0	0	0	113	C130 S131 N211 N215 G264 L265 H270	C130-V268 HydrophobicContact CB-CG1 3.62Å; S131-V268 WeakPolarHBondContact CA-O 3.47Å; S131-V268 PolarHBondContact N-O 3.49Å; N211-V268 HydrophobicContact CB-CG1 3.64Å; N211-V268 HydrophobicContact CB-CG2 4.35Å; N215-V268 HydrophobicContact CB-CG2 3.65Å; G264-V268 WeakPolarHBondContact O-CG2 3.36Å; G264-V268 PolarHBondContact O-N 2.82Å; L265-V268 PolarHBondContact O-N 2.84Å; V268-H270 VanDerWaalsContact C-N 3.34Å
269	L	97.8	Very high	96.6	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-3.1	-178.5	-68.9	173.9	0	0	0	114.1	C130 L133 G134 V194 L198 L208 L265 A266 N267 R271 I273 I313	C130-L269 HydrophobicContact CB-CD2 4.3Å; C130-L269 WeakPolarHBondContact O-CD2 3.43Å; L133-L269 HydrophobicContact CB-CD2 4.43Å; G134-L269 WeakPolarHBondContact CA-O 3.35Å; V194-L269 HydrophobicContact CG1-CD1 3.63Å; L198-L269 HydrophobicContact CD1-CD1 3.98Å; L198-L269 HydrophobicContact CD1-CD2 3.65Å; L198-L269 HydrophobicContact CD1-CG 4.5Å; L208-L269 HydrophobicContact CD2-CD2 3.98Å; L265-L269 WeakPolarHBondContact O-CB 3.28Å; L265-L269 VanDerWaalsContact O-CG 3.27Å; L265-L269 WeakPolarHBondContact O-CG 3.49Å; L265-L269 PolarHBondContact O-N 3.31Å; A266-L269 PolarHBondContact O-N 2.78Å; N267-L269 VanDerWaalsContact C-N 3.29Å; N267-L269 PolarHBondContact O-N 2.56Å; L269-R271 HydrophobicContact CB-CB 3.94Å; L269-R271 WeakPolarHBondContact O-CB 3.07Å; L269-R271 PolarHBondContact O-N 3.17Å; L269-I273 HydrophobicContact CD1-CD1 4.26Å; L269-I313 HydrophobicContact CD1-CD1 4.25Å
270	H	97.2	Very high	96.5	Very high	41 Å²	41	9.3 Å²	9.3	19%	0.19	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	40.3	-170.2	-67.9	-149.4	0	0	0	111.4	A266 N267 V268 Q301 C302 N310	A266-H270 PolarHBondContact O-N 3.02Å; N267-H270 PolarHBondContact O-CD2 3.32Å; N267-H270 VanDerWaalsContact O-CD2 3.27Å; N267-H270 PolarHBondContact O-N 2.85Å; N267-H270 VanDerWaalsContact O-N 3.12Å; V268-H270 VanDerWaalsContact C-N 3.34Å; H270-Q301 WeakPolarHBondContact CB-O 3.39Å; H270-Q301 PolarHBondContact CE1-OE1 3.08Å; H270-Q301 PolarHBondContact ND1-O 2.89Å; H270-Q301 VanDerWaalsContact ND1-O 3.07Å; H270-C302 WeakPolarHBondContact O-CA 3.4Å; H270-N310 PolarHBondContact O-ND2 3.39Å
271	R	96.9	Very high	96.1	Very high	5 Å²	5	9.3 Å²	9.3	2%	0.019	6%	0.056	C	C	.	.	S	Bend	trans	-155	135.2	-165.4	-172	-178	-163.1	159.6	-9.8	113.5	G134 R136 A266 L269 N310 K311 G370	G134-R271 WeakPolarHBondContact O-CD 3.37Å; G134-R271 PolarHBondContact O-NH1 3.13Å; R136-R271 PolarHBondContact O-NH1 3.4Å; A266-R271 CarbonylContact C-O 3.57Å; A266-R271 VanDerWaalsContact CA-O 3.23Å; A266-R271 WeakPolarHBondContact CA-O 3.27Å; A266-R271 WeakPolarHBondContact CB-O 3.31Å; A266-R271 PolarHBondContact O-N 2.81Å; L269-R271 HydrophobicContact CB-CB 3.94Å; L269-R271 WeakPolarHBondContact O-CB 3.07Å; L269-R271 PolarHBondContact O-N 3.17Å; R271-N310 HydrophobicContact CB-CB 4.28Å; R271-N310 HydrophobicContact CG-CB 3.83Å; R271-K311 PolarHBondContact NE-O 3.15Å; R271-K311 PolarHBondContact NH2-O 3.06Å; R271-G370 PolarHBondContact NH2-O 2.61Å
272	P	97.9	Very high	95.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.067	C	C	.	.			trans	-60.7	142.7	169.6	-26.7	37.5	0	0	0	114.7	F292 L293 P312 I313 I359	P272-F292 CarbonylContact C-O 3.57Å; P272-F292 WeakPolarHBondContact CA-O 3.26Å; P272-L293 HydrophobicContact CB-CD2 3.98Å; P272-L293 HydrophobicContact CG-CD2 4.05Å; P272-P312 HydrophobicContact CB-CB 4.08Å; P272-P312 VanDerWaalsContact O-CA 3.26Å; P272-P312 WeakPolarHBondContact O-CA 3.17Å; P272-I313 PolarHBondContact O-N 2.79Å; P272-I359 HydrophobicContact CB-CD1 3.9Å; P272-I359 HydrophobicContact CB-CG1 3.81Å; P272-I359 HydrophobicContact CG-CD1 4.33Å; P272-I359 HydrophobicContact CG-CG1 3.7Å
273	I	98.4	Very high	95.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.5	173.7	-53.8	179.7	0	0	0	108.1	V194 I262 L265 A266 L269 F292 I313 I315	V194-I273 HydrophobicContact CG2-CD1 4.44Å; I262-I273 HydrophobicContact CG2-CB 4.15Å; I262-I273 HydrophobicContact CG2-CD1 4.14Å; I262-I273 HydrophobicContact CG2-CG2 3.82Å; L265-I273 HydrophobicContact CB-CD1 3.93Å; A266-I273 HydrophobicContact CB-CD1 4.18Å; A266-I273 HydrophobicContact CB-CG1 4.07Å; L269-I273 HydrophobicContact CD1-CD1 4.26Å; I273-F292 HydrophobicContact CB-CB 4.35Å; I273-F292 PolarHBondContact N-O 3.27Å; I273-F292 PolarHBondContact O-N 2.59Å; I273-I313 HydrophobicContact CB-CG1 4.34Å; I273-I313 HydrophobicContact CD1-CD1 4.32Å; I273-I313 HydrophobicContact CG1-CD1 4.08Å; I273-I313 HydrophobicContact CG1-CG1 3.91Å; I273-I313 HydrophobicContact CG2-CD1 4.49Å; I273-I313 HydrophobicContact CG2-CG1 4.22Å; I273-I315 HydrophobicContact CG2-CD1 3.96Å; I273-I315 HydrophobicContact CG2-CG1 3.97Å
274	V	98.1	Very high	94.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.9	172.8	177.1	0	0	0	0	109.3	L276 T291 P312 I313 C314 I315 L339 L344 P345	V274-L276 HydrophobicContact CG1-CD2 3.66Å; V274-L276 HydrophobicContact CG1-CG 4.03Å; V274-T291 HydrophobicContact CG2-CG2 4.33Å; V274-P312 HydrophobicContact CG2-CB 3.96Å; V274-P312 HydrophobicContact CG2-CG 4.37Å; V274-I313 PolarHBondContact N-O 2.94Å; V274-C314 WeakPolarHBondContact O-CA 3.41Å; V274-I315 WeakPolarHBondContact O-CG1 3.35Å; V274-I315 PolarHBondContact O-N 3.14Å; V274-L339 HydrophobicContact CG1-CD2 4.09Å; V274-L344 HydrophobicContact CG2-CD1 4.11Å; V274-P345 HydrophobicContact CG1-CG 4.18Å
275	L	97.6	Very high	92.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	112.2	170.7	176.5	62.5	0	0	0	109.8	I262 Y288 S289 A290 F292 I315 W317 Y325	I262-L275 HydrophobicContact CD1-CD2 3.68Å; L275-Y288 WeakPolarHBondContact CD2-O 3.29Å; L275-S289 CarbonylContact O-C 3.6Å; L275-S289 WeakPolarHBondContact O-CA 3.23Å; L275-S289 WeakPolarHBondContact O-CB 3.39Å; L275-A290 PolarHBondContact N-O 2.94Å; L275-A290 PolarHBondContact O-N 3.09Å; L275-F292 HydrophobicContact CB-CD2 4.43Å; L275-F292 HydrophobicContact CB-CE2 3.79Å; L275-F292 HydrophobicContact CD2-CE2 4.17Å; L275-I315 WeakPolarHBondContact CA-O 3.33Å; L275-I315 HydrophobicContact CB-CG1 4.27Å; L275-I315 HydrophobicContact CD1-CD1 4.1Å; L275-I315 HydrophobicContact CD1-CG1 3.88Å; L275-W317 HydrophobicContact CD2-CZ2 4.28Å; L275-Y325 HydrophobicContact CD1-CD1 3.94Å; L275-Y325 HydrophobicContact CD1-CE1 3.94Å; L275-Y325 HydrophobicContact CD2-CE1 4.15Å
276	L	96.1	Very high	91.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	163.7	174.5	-60.3	-174.2	0	0	0	112.2	T164 I168 V274 M282 I315 A316 W317 L328 L339 L343 P345	T164-L276 HydrophobicContact CG2-CD1 4.28Å; I168-L276 HydrophobicContact CD1-CD1 4.01Å; V274-L276 HydrophobicContact CG1-CD2 3.66Å; V274-L276 HydrophobicContact CG1-CG 4.03Å; L276-M282 HydrophobicContact CB-SD 4.43Å; L276-M282 HydrophobicContact CD2-SD 4Å; L276-I315 PolarHBondContact N-O 2.96Å; L276-A316 HydrophobicContact CB-CB 4.27Å; L276-A316 VanDerWaalsContact O-CA 3.23Å; L276-A316 WeakPolarHBondContact O-CA 3.2Å; L276-W317 PolarHBondContact O-N 2.88Å; L276-L328 HydrophobicContact CB-CD1 4.3Å; L276-L328 HydrophobicContact CD1-CD1 3.84Å; L276-L328 HydrophobicContact CG-CD1 4.41Å; L276-L339 HydrophobicContact CD1-CD1 3.85Å; L276-L339 HydrophobicContact CD2-CD1 4.48Å; L276-L339 HydrophobicContact CD2-CD2 4.33Å; L276-L343 WeakPolarHBondContact CD2-O 3.4Å; L276-P345 HydrophobicContact CD2-CG 3.79Å
277	D	94.9	Very high	89.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.			trans	-140.1	176.8	176.5	-166.5	-20.2	0	0	0	107.6	Y160 T164 G281 M282 R322	Y160-D277 VanDerWaalsContact CE1-OD1 3.25Å; Y160-D277 WeakPolarHBondContact CE1-OD1 3.45Å; Y160-D277 VanDerWaalsContact CZ-OD1 3.29Å; Y160-D277 PolarHBondContact OH-OD1 3.28Å; T164-D277 PolarHBondContact OG1-O 3.48Å; D277-G281 WeakPolarHBondContact OD2-CA 3.27Å; D277-M282 HydrophobicContact CB-CG 3.69Å; D277-M282 WeakPolarHBondContact O-CE 3.12Å; D277-R322 IonicContact OD2-CZ 3.2Å; D277-R322 IonicContact OD2-NE 2.72Å; D277-R322 PolarHBondContact OD2-NE 3.43Å; D277-R322 IonicContact OD2-NH2 2.87Å; D277-R322 PolarHBondContact OD2-NH2 3.2Å
278	S	93.9	Very high	88.6	Confident	5 Å²	5	37.8 Å²	37.8	4%	0.035	20%	0.204	C	C	.	.			trans	-50.4	154.3	162.1	60.1	0	0	0	0	112.1	Y160 S280 G281 M282	Y160-S278 VanDerWaalsContact O-CB 3.31Å; Y160-S278 WeakPolarHBondContact O-CB 3.35Å; Y160-S278 PolarHBondContact OH-OG 3.42Å; S278-S280 PolarHBondContact O-N 3.47Å; S278-S280 VanDerWaalsContact O-N 3.14Å; S278-S280 PolarHBondContact OG-OG 2.85Å; S278-G281 WeakPolarHBondContact O-CA 3.23Å; S278-G281 PolarHBondContact O-N 3.45Å; S278-G281 WeakPolarHBondContact OG-CA 3.47Å; S278-G281 PolarHBondContact OG-N 3.44Å; S278-M282 PolarHBondContact O-N 2.88Å
279	M	91.2	Very high	88.3	Confident	37 Å²	37	38.1 Å²	38.1	18%	0.182	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.7	178.5	-73.5	-63.7	-70.6	0	0	113.8	D163 T164 M282 R283 L343	D163-M279 HydrophobicContact CB-CB 4.2Å; D163-M279 HydrophobicContact CB-CG 3.71Å; T164-M279 PolarHBondContact OG1-N 3.26Å; M279-M282 HydrophobicContact CG-CE 4.49Å; M279-M282 HydrophobicContact SD-CE 3.56Å; M279-M282 VanDerWaalsContact SD-CE 3.56Å; M279-R283 VanDerWaalsContact O-CD 3.22Å; M279-R283 WeakPolarHBondContact O-CD 3.47Å; M279-R283 VanDerWaalsContact O-CG 3.22Å; M279-R283 WeakPolarHBondContact O-CG 3.39Å; M279-R283 PolarHBondContact O-NE 3.38Å; M279-L343 HydrophobicContact CE-CD2 4.03Å; M279-L343 HydrophobicContact SD-CD2 3.52Å; M279-L343 VanDerWaalsContact SD-CD2 3.52Å
280	S	88.3	Confident	88.2	Confident	88 Å²	88	38.4 Å²	38.4	62%	0.615	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-40.6	170.4	49.6	0	0	0	0	111.9	S278 R283 S284	S278-S280 PolarHBondContact O-N 3.47Å; S278-S280 VanDerWaalsContact O-N 3.14Å; S278-S280 PolarHBondContact OG-OG 2.85Å; S280-R283 CarbonylContact O-C 3.57Å; S280-R283 PolarHBondContact O-N 3.08Å; S280-R283 VanDerWaalsContact O-N 3.14Å; S280-S284 PolarHBondContact O-N 3.22Å; S280-S284 VanDerWaalsContact O-N 3.11Å
281	G	87.1	Confident	88.2	Confident	5 Å²	5	36.4 Å²	36.4	5%	0.052	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-61.6	-45.6	176.5	0	0	0	0	0	113.4	D277 S278 R283 S284 R322	D277-G281 WeakPolarHBondContact OD2-CA 3.27Å; S278-G281 WeakPolarHBondContact O-CA 3.23Å; S278-G281 PolarHBondContact O-N 3.45Å; S278-G281 WeakPolarHBondContact OG-CA 3.47Å; S278-G281 PolarHBondContact OG-N 3.44Å; G281-R283 PolarHBondContact O-N 2.92Å; G281-R283 VanDerWaalsContact O-N 3.16Å; G281-S284 WeakPolarHBondContact O-CB 3.46Å; G281-S284 PolarHBondContact O-N 2.91Å; G281-S284 PolarHBondContact O-OG 2.98Å; G281-R322 VanDerWaalsContact CA-NH2 3.31Å; G281-R322 PolarHBondContact O-NH2 3.44Å
282	M	88.5	Confident	88.2	Confident	44 Å²	44	36.2 Å²	36.2	22%	0.217	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-67	-12	174.8	-61.6	-173.4	-66.7	0	0	114	T164 L276 D277 S278 M279 L343	T164-M282 HydrophobicContact CG2-CE 3.77Å; L276-M282 HydrophobicContact CB-SD 4.43Å; L276-M282 HydrophobicContact CD2-SD 4Å; D277-M282 HydrophobicContact CB-CG 3.69Å; D277-M282 WeakPolarHBondContact O-CE 3.12Å; S278-M282 PolarHBondContact O-N 2.88Å; M279-M282 HydrophobicContact CG-CE 4.49Å; M279-M282 HydrophobicContact SD-CE 3.56Å; M279-M282 VanDerWaalsContact SD-CE 3.56Å; M282-L343 HydrophobicContact CE-CD2 4.06Å
283	R	85.5	Confident	88.2	Confident	201 Å²	201	36.2 Å²	36.2	76%	0.758	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-99	-8.5	172.3	-67.8	175.1	-172.7	-168.1	2.8	113	M279 S280 G281	M279-R283 VanDerWaalsContact O-CD 3.22Å; M279-R283 WeakPolarHBondContact O-CD 3.47Å; M279-R283 VanDerWaalsContact O-CG 3.22Å; M279-R283 WeakPolarHBondContact O-CG 3.39Å; M279-R283 PolarHBondContact O-NE 3.38Å; S280-R283 CarbonylContact O-C 3.57Å; S280-R283 PolarHBondContact O-N 3.08Å; S280-R283 VanDerWaalsContact O-N 3.14Å; G281-R283 PolarHBondContact O-N 2.92Å; G281-R283 VanDerWaalsContact O-N 3.16Å
284	S	80	Confident	88.2	Confident	48 Å²	48	36.2 Å²	36.2	34%	0.336	20%	0.199	S	C	.	.	S	Bend	trans	-73.2	144.7	176.5	72.1	0	0	0	0	110.6	S280 G281 G286 R322	S280-S284 PolarHBondContact O-N 3.22Å; S280-S284 VanDerWaalsContact O-N 3.11Å; G281-S284 WeakPolarHBondContact O-CB 3.46Å; G281-S284 PolarHBondContact O-N 2.91Å; G281-S284 PolarHBondContact O-OG 2.98Å; S284-G286 PolarHBondContact O-N 3.23Å; S284-R322 PolarHBondContact OG-NH2 2.95Å
285	S	61.6	Low	88	Confident	115 Å²	115	37.4 Å²	37.4	80%	0.804	21%	0.211	S	C	*	.	S	Bend	trans	-79.2	26.9	-173.5	66.3	0	0	0	0	114.5
286	G	66.6	Low	87.8	Confident	21 Å²	21	40.2 Å²	40.2	22%	0.216	23%	0.226	C	C	.	.	S	Bend	trans	-120.5	144.9	175.1	0	0	0	0	0	109.9	S284 Y288	S284-G286 PolarHBondContact O-N 3.23Å; G286-Y288 WeakPolarHBondContact O-CD2 3.49Å; G286-Y288 PolarHBondContact O-N 3.46Å
287	D	66.6	Low	87.8	Confident	77 Å²	77	41 Å²	41	41%	0.412	23%	0.231	S	C	.	.	S	Bend	trans	-71.2	25.9	-169.2	-56.4	-64.1	0	0	0	115.1	N259 S289	N259-D287 PolarHBondContact ND2-O 3.4Å; D287-S289 PolarHBondContact O-N 3.19Å
288	Y	78.9	Confident	87.7	Confident	94 Å²	94	43.9 Å²	43.9	37%	0.369	25%	0.25	S	C	.	.	S	Bend	trans	-65.6	-16.5	-175.6	-61.1	-78.4	0	0	0	114.5	L275 G286 W317 R322	L275-Y288 WeakPolarHBondContact CD2-O 3.29Å; G286-Y288 WeakPolarHBondContact O-CD2 3.49Å; G286-Y288 PolarHBondContact O-N 3.46Å; Y288-W317 PolarHBondContact O-NE1 3.42Å; Y288-R322 VanDerWaalsContact CD1-CD 3.41Å
289	S	91.7	Very high	87.7	Confident	20 Å²	20	46.2 Å²	46.2	14%	0.14	26%	0.26	C	S	.	.	S	Bend	trans	-132.1	120.4	176.3	60.4	0	0	0	0	109.8	L275 D287	L275-S289 CarbonylContact O-C 3.6Å; L275-S289 WeakPolarHBondContact O-CA 3.23Å; L275-S289 WeakPolarHBondContact O-CB 3.39Å; D287-S289 PolarHBondContact O-N 3.19Å
290	A	94.9	Very high	87.7	Confident	5 Å²	5	50.2 Å²	50.2	4%	0.041	28%	0.278	C	S	.	.			trans	-155	164.6	-172.7	0	0	0	0	0	113.1	L275 F292 P345 W348	L275-A290 PolarHBondContact N-O 2.94Å; L275-A290 PolarHBondContact O-N 3.09Å; A290-F292 HydrophobicContact CB-CE2 4.08Å; A290-F292 HydrophobicContact CB-CZ 4.02Å; A290-P345 VanDerWaalsContact CA-CB 3.46Å; A290-W348 HydrophobicContact CB-CB 3.71Å; A290-W348 HydrophobicContact CB-CG 4.23Å
291	T	97.3	Very high	88	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	114.2	170.5	-63.2	0	0	0	0	108.9	V274 L293 P345 K346 A347 W348 I359	V274-T291 HydrophobicContact CG2-CG2 4.33Å; T291-L293 HydrophobicContact CG2-CD2 3.73Å; T291-L293 HydrophobicContact CG2-CG 4.4Å; T291-P345 WeakPolarHBondContact CB-O 3.43Å; T291-P345 PolarHBondContact OG1-O 2.66Å; T291-K346 PolarHBondContact N-O 3.16Å; T291-A347 CarbonylContact O-C 3.43Å; T291-A347 VanDerWaalsContact O-CA 3.25Å; T291-A347 WeakPolarHBondContact O-CA 3.38Å; T291-W348 PolarHBondContact O-N 3.01Å; T291-I359 HydrophobicContact CG2-CD1 3.71Å
292	F	97.9	Very high	88.3	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.5	178.5	-59.9	-85.2	0	0	0	109.1	N259 I262 F263 A266 P272 I273 L275 A290 W348	N259-F292 HydrophobicContact CB-CE1 4.03Å; N259-F292 HydrophobicContact CB-CZ 4.02Å; N259-F292 WeakPolarHBondContact O-CE1 3.39Å; I262-F292 HydrophobicContact CB-CD1 4.07Å; I262-F292 HydrophobicContact CB-CD2 3.9Å; I262-F292 HydrophobicContact CB-CE1 4.06Å; I262-F292 HydrophobicContact CB-CE2 3.9Å; I262-F292 HydrophobicContact CB-CG 3.98Å; I262-F292 HydrophobicContact CB-CZ 3.98Å; I262-F292 HydrophobicContact CD1-CE2 3.79Å; I262-F292 HydrophobicContact CD1-CZ 3.89Å; I262-F292 HydrophobicContact CG1-CE2 4.44Å; I262-F292 HydrophobicContact CG1-CZ 4.42Å; I262-F292 HydrophobicContact CG2-CB 4.26Å; I262-F292 HydrophobicContact CG2-CD1 4.34Å; I262-F292 HydrophobicContact CG2-CD2 3.39Å; I262-F292 HydrophobicContact CG2-CE2 3.73Å; I262-F292 HydrophobicContact CG2-CG 3.73Å; I262-F292 HydrophobicContact CG2-CZ 4.33Å; F263-F292 HydrophobicContact CB-CD1 3.86Å; A266-F292 HydrophobicContact CB-CB 4.08Å; P272-F292 CarbonylContact C-O 3.57Å; P272-F292 WeakPolarHBondContact CA-O 3.26Å; I273-F292 HydrophobicContact CB-CB 4.35Å; I273-F292 PolarHBondContact N-O 3.27Å; I273-F292 PolarHBondContact O-N 2.59Å; L275-F292 HydrophobicContact CB-CD2 4.43Å; L275-F292 HydrophobicContact CB-CE2 3.79Å; L275-F292 HydrophobicContact CD2-CE2 4.17Å; A290-F292 HydrophobicContact CB-CE2 4.08Å; A290-F292 HydrophobicContact CB-CZ 4.02Å; F292-W348 HydrophobicContact CD1-CB 3.79Å; F292-W348 HydrophobicContact CD1-CD2 4.22Å; F292-W348 AromaticContact CD1-CE3 3.97Å; F292-W348 HydrophobicContact CD1-CE3 3.97Å; F292-W348 HydrophobicContact CD1-CG 4.18Å; F292-W348 HydrophobicContact CE1-CB 3.64Å; F292-W348 AromaticContact CE1-CD2 3.62Å; F292-W348 HydrophobicContact CE1-CD2 3.62Å; F292-W348 AromaticContact CE1-CE3 3.72Å; F292-W348 HydrophobicContact CE1-CE3 3.72Å; F292-W348 AromaticContact CE1-CG 3.6Å; F292-W348 HydrophobicContact CE1-CG 3.6Å; F292-W348 HydrophobicContact CZ-CB 4.32Å; F292-W348 HydrophobicContact CZ-CG 4.3Å
293	L	97.9	Very high	88.5	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.274	C	S	.	.			trans	-104.7	150.9	-179.8	-56.5	-178.9	0	0	0	110.2	F263 P272 T291 G295 A347 V350 L354 I355 Y358 I359	F263-L293 WeakPolarHBondContact CD2-O 3.41Å; F263-L293 WeakPolarHBondContact CE2-O 3.5Å; P272-L293 HydrophobicContact CB-CD2 3.98Å; P272-L293 HydrophobicContact CG-CD2 4.05Å; T291-L293 HydrophobicContact CG2-CD2 3.73Å; T291-L293 HydrophobicContact CG2-CG 4.4Å; L293-G295 PolarHBondContact O-N 3.01Å; L293-A347 HydrophobicContact CD1-CB 4.16Å; L293-V350 HydrophobicContact CB-CG2 4.28Å; L293-V350 HydrophobicContact CD1-CG2 4.01Å; L293-V350 HydrophobicContact CG-CG2 4.38Å; L293-L354 HydrophobicContact CD1-CB 3.71Å; L293-I355 HydrophobicContact CD1-CG1 4.13Å; L293-Y358 HydrophobicContact CB-CD2 4.41Å; L293-Y358 HydrophobicContact CD1-CD2 4.38Å; L293-I359 HydrophobicContact CD2-CD1 3.96Å; L293-I359 HydrophobicContact CD2-CG1 4.2Å
294	P	96.9	Very high	88.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.243	C	C	.	.			trans	-75.2	59.8	172.5	33.3	-36	0	0	0	110.9	A266 N267 L296 V297 C302 Y358	A266-P294 WeakPolarHBondContact O-CB 3.22Å; N267-P294 VanDerWaalsContact OD1-CA 3.31Å; N267-P294 WeakPolarHBondContact OD1-CA 3.17Å; P294-L296 VanDerWaalsContact C-N 3.25Å; P294-L296 PolarHBondContact O-N 3.03Å; P294-V297 HydrophobicContact CB-CB 4.24Å; P294-V297 HydrophobicContact CB-CG2 4.38Å; P294-V297 PolarHBondContact O-N 3.43Å; P294-V297 VanDerWaalsContact O-O 3.14Å; P294-C302 HydrophobicContact CG-CB 4.28Å; P294-C302 WeakPolarHBondContact CG-SG 3.43Å; P294-Y358 HydrophobicContact CG-CD1 3.52Å; P294-Y358 HydrophobicContact CG-CE1 3.81Å; P294-Y358 HydrophobicContact CG-CG 4.16Å; P294-Y358 PolarHBondContact O-OH 2.87Å
295	G	94.3	Very high	88.6	Confident	25 Å²	25	49.3 Å²	49.3	26%	0.258	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-14	-169.1	0	0	0	0	0	115.9	N267 L293	N267-G295 PolarHBondContact OD1-N 2.74Å; L293-G295 PolarHBondContact O-N 3.01Å
296	L	94.1	Very high	89.7	Confident	60 Å²	60	47.1 Å²	47.1	31%	0.314	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-5.3	172.2	-53	-176.4	0	0	0	112.4	N219 C222 Y223 L226 N267 P294	N219-L296 HydrophobicContact CB-CD1 4.38Å; C222-L296 HydrophobicContact CB-CD2 4.46Å; Y223-L296 HydrophobicContact CD1-CD1 4.21Å; Y223-L296 HydrophobicContact CD2-CD1 4.22Å; Y223-L296 HydrophobicContact CE1-CD1 3.71Å; Y223-L296 HydrophobicContact CE2-CD1 3.74Å; Y223-L296 HydrophobicContact CG-CD1 4.42Å; Y223-L296 VanDerWaalsContact CZ-CD1 3.43Å; L226-L296 HydrophobicContact CD2-CD2 4.27Å; N267-L296 WeakPolarHBondContact OD1-CB 3.33Å; N267-L296 PolarHBondContact OD1-N 3.06Å; P294-L296 VanDerWaalsContact C-N 3.25Å; P294-L296 PolarHBondContact O-N 3.03Å
297	V	95.1	Very high	90.7	Very high	17 Å²	17	48.7 Å²	48.7	10%	0.103	26%	0.261	C	S	.	.	S	Bend	trans	-110.3	135.8	-176	-175.1	0	0	0	0	110.1	N267 P294 Q301 Y358	N267-V297 HydrophobicContact CB-CG2 4.23Å; P294-V297 HydrophobicContact CB-CB 4.24Å; P294-V297 HydrophobicContact CB-CG2 4.38Å; P294-V297 PolarHBondContact O-N 3.43Å; P294-V297 VanDerWaalsContact O-O 3.14Å; V297-Q301 HydrophobicContact CG1-CB 3.86Å; V297-Y358 WeakPolarHBondContact O-CE1 3.33Å; V297-Y358 PolarHBondContact O-OH 2.87Å
298	P	93.7	Very high	91.8	Very high	60 Å²	60	49.8 Å²	49.8	39%	0.39	26%	0.262	S	S	.	.			trans	-58.1	146.6	174.9	-24.3	34.6	0	0	0	112.9	E300 Q301 C302	P298-E300 WeakPolarHBondContact CB-OE2 3.22Å; P298-E300 PolarHBondContact O-N 3.17Å; P298-Q301 HydrophobicContact CB-CG 4.39Å; P298-Q301 PolarHBondContact O-N 3.41Å; P298-Q301 VanDerWaalsContact O-N 3.11Å; P298-C302 PolarHBondContact O-N 2.85Å; P298-C302 PolarHBondContact O-SG 3.06Å; P298-C302 VanDerWaalsContact O-SG 3.33Å
299	E	92.8	Very high	92.5	Very high	53 Å²	53	46.7 Å²	46.7	25%	0.248	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-26.1	-176.8	61.5	159	-92.1	0	0	112.3	Q301 C302 K303 K357 Y358	E299-Q301 VanDerWaalsContact C-N 3.28Å; E299-Q301 PolarHBondContact O-N 3.43Å; E299-C302 PolarHBondContact O-N 2.59Å; E299-K303 WeakPolarHBondContact O-CD 3.38Å; E299-K303 WeakPolarHBondContact O-CE 3.38Å; E299-K303 WeakPolarHBondContact O-CG 3.44Å; E299-K303 WeakPolarHBondContact OE1-CE 3.43Å; E299-K303 IonicContact OE1-NZ 3.17Å; E299-K303 PolarHBondContact OE1-NZ 2.85Å; E299-K357 HydrophobicContact CB-CD 4.42Å; E299-K357 HydrophobicContact CB-CG 4.19Å; E299-K357 WeakPolarHBondContact OE2-CE 3.46Å; E299-K357 WeakPolarHBondContact OE2-CG 3.42Å; E299-Y358 HydrophobicContact CB-CE1 4.18Å
300	E	92	Very high	92.6	Very high	122 Å²	122	46.5 Å²	46.5	57%	0.57	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-37.4	177	-61.8	72.1	-156.2	0	0	111.4	P298 C302	P298-E300 WeakPolarHBondContact CB-OE2 3.22Å; P298-E300 PolarHBondContact O-N 3.17Å; E300-C302 VanDerWaalsContact C-N 3.35Å
301	Q	94.3	Very high	92.6	Very high	108 Å²	108	49.6 Å²	49.6	51%	0.505	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-11.3	179.4	-53.6	-177	18.1	0	0	112.5	H270 V297 P298 E299 K303	H270-Q301 WeakPolarHBondContact CB-O 3.39Å; H270-Q301 PolarHBondContact CE1-OE1 3.08Å; H270-Q301 PolarHBondContact ND1-O 2.89Å; H270-Q301 VanDerWaalsContact ND1-O 3.07Å; V297-Q301 HydrophobicContact CG1-CB 3.86Å; P298-Q301 HydrophobicContact CB-CG 4.39Å; P298-Q301 PolarHBondContact O-N 3.41Å; P298-Q301 VanDerWaalsContact O-N 3.11Å; E299-Q301 VanDerWaalsContact C-N 3.28Å; E299-Q301 PolarHBondContact O-N 3.43Å; Q301-K303 VanDerWaalsContact C-N 3.34Å
302	C	94.7	Very high	92.6	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.014	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	17.3	177.6	-58.7	0	0	0	0	113.1	H270 P294 P298 E299 E300 N310 Y358	H270-C302 WeakPolarHBondContact O-CA 3.4Å; P294-C302 HydrophobicContact CG-CB 4.28Å; P294-C302 WeakPolarHBondContact CG-SG 3.43Å; P298-C302 PolarHBondContact O-N 2.85Å; P298-C302 PolarHBondContact O-SG 3.06Å; P298-C302 VanDerWaalsContact O-SG 3.33Å; E299-C302 PolarHBondContact O-N 2.59Å; E300-C302 VanDerWaalsContact C-N 3.35Å; C302-N310 PolarHBondContact O-N 3Å; C302-N310 PolarHBondContact O-ND2 3.05Å; C302-Y358 HydrophobicContact CB-CD1 3.92Å; C302-Y358 HydrophobicContact CB-CE1 4.21Å
303	K	91.8	Very high	92.6	Very high	63 Å²	63	49.8 Å²	49.8	27%	0.274	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-108.6	137.3	-179.1	-71.6	158.7	-168.6	164.9	0	110.8	E299 Q301 K308 P309	E299-K303 WeakPolarHBondContact O-CD 3.38Å; E299-K303 WeakPolarHBondContact O-CE 3.38Å; E299-K303 WeakPolarHBondContact O-CG 3.44Å; E299-K303 WeakPolarHBondContact OE1-CE 3.43Å; E299-K303 IonicContact OE1-NZ 3.17Å; E299-K303 PolarHBondContact OE1-NZ 2.85Å; Q301-K303 VanDerWaalsContact C-N 3.34Å; K303-K308 CarbonylContact C-O 3.47Å; K303-K308 VanDerWaalsContact CA-O 3.25Å; K303-K308 WeakPolarHBondContact CA-O 3.48Å; K303-P309 HydrophobicContact CG-CG 4.47Å
304	G	84.9	Confident	92.6	Very high	11 Å²	11	49.8 Å²	49.8	11%	0.113	26%	0.264	C	S	.	.			trans	-72.3	172.3	174.1	0	0	0	0	0	111.9	D306 G307 K308 N310	G304-D306 PolarHBondContact O-N 2.98Å; G304-G307 PolarHBondContact O-N 3.44Å; G304-K308 PolarHBondContact N-O 3.36Å; G304-N310 WeakPolarHBondContact CA-OD1 3.17Å; G304-N310 PolarHBondContact N-OD1 3.36Å; G304-N310 VanDerWaalsContact N-OD1 3.15Å
305	K	82.8	Confident	92.7	Very high	182 Å²	182	49.8 Å²	49.8	79%	0.791	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-4.9	-178.1	-50.3	-169	-177.9	-164.5	0	116.8	R373	K305-R373 VanDerWaalsContact N-NH1 3.17Å
306	D	84.8	Confident	92.8	Very high	69 Å²	69	48.6 Å²	48.6	37%	0.369	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	12.5	171.5	63.4	-41.8	0	0	0	113	G304 K308 R373	G304-D306 PolarHBondContact O-N 2.98Å; D306-K308 PolarHBondContact O-N 3.39Å; D306-K308 VanDerWaalsContact OD2-CD 3.28Å; D306-K308 WeakPolarHBondContact OD2-CD 3.43Å; D306-K308 WeakPolarHBondContact OD2-CE 3.3Å; D306-K308 WeakPolarHBondContact OD2-CG 3.43Å; D306-K308 IonicContact OD2-NZ 3.15Å; D306-K308 PolarHBondContact OD2-NZ 3.23Å; D306-R373 IonicContact OD1-CZ 2.72Å; D306-R373 IonicContact OD1-NH1 3.14Å; D306-R373 IonicContact OD1-NH2 2.83Å; D306-R373 PolarHBondContact OD1-NH2 3.3Å; D306-R373 IonicContact OD2-NH2 2.73Å
307	G	88.1	Confident	92.8	Very high	55 Å²	55	46.4 Å²	46.4	57%	0.567	24%	0.24	S	C	*	.	S	Bend	trans	73.2	3.6	178.9	0	0	0	0	0	115	G304	G304-G307 PolarHBondContact O-N 3.44Å
308	K	90	Very high	92.6	Very high	99 Å²	99	46 Å²	46	43%	0.43	24%	0.237	S	C	.	.	S	Bend	trans	-95.8	146.5	-179	-56	-171.5	-162.3	111.5	0	110.8	K303 G304 D306	K303-K308 CarbonylContact C-O 3.47Å; K303-K308 VanDerWaalsContact CA-O 3.25Å; K303-K308 WeakPolarHBondContact CA-O 3.48Å; G304-K308 PolarHBondContact N-O 3.36Å; D306-K308 PolarHBondContact O-N 3.39Å; D306-K308 VanDerWaalsContact OD2-CD 3.28Å; D306-K308 WeakPolarHBondContact OD2-CD 3.43Å; D306-K308 WeakPolarHBondContact OD2-CE 3.3Å; D306-K308 WeakPolarHBondContact OD2-CG 3.43Å; D306-K308 IonicContact OD2-NZ 3.15Å; D306-K308 PolarHBondContact OD2-NZ 3.23Å
309	P	92.5	Very high	92.4	Very high	29 Å²	29	44.9 Å²	44.9	19%	0.188	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-55.2	141.9	174.5	-25	34.1	0	0	0	112.2	K303 K311 Y358	K303-P309 HydrophobicContact CG-CG 4.47Å; P309-K311 PolarHBondContact O-N 2.86Å; P309-K311 VanDerWaalsContact O-N 3.14Å; P309-Y358 WeakPolarHBondContact CB-O 3.4Å
310	N	94.3	Very high	92.1	Very high	16 Å²	16	46.9 Å²	46.9	9%	0.086	25%	0.251	C	S	.	.			trans	-63.9	113.2	178.8	-69.3	-36.4	0	0	0	110.2	H270 R271 C302 G304	H270-N310 PolarHBondContact O-ND2 3.39Å; R271-N310 HydrophobicContact CB-CB 4.28Å; R271-N310 HydrophobicContact CG-CB 3.83Å; C302-N310 PolarHBondContact O-N 3Å; C302-N310 PolarHBondContact O-ND2 3.05Å; G304-N310 WeakPolarHBondContact CA-OD1 3.17Å; G304-N310 PolarHBondContact N-OD1 3.36Å; G304-N310 VanDerWaalsContact N-OD1 3.15Å
311	K	95.1	Very high	91.7	Very high	70 Å²	70	43.5 Å²	43.5	30%	0.304	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-51.2	132.6	175.8	-60.1	-176.1	-171.8	85.2	0	110.3	R271 P309 L336 V368 G370 D372	R271-K311 PolarHBondContact NE-O 3.15Å; R271-K311 PolarHBondContact NH2-O 3.06Å; P309-K311 PolarHBondContact O-N 2.86Å; P309-K311 VanDerWaalsContact O-N 3.14Å; K311-L336 HydrophobicContact CD-CD1 4.39Å; K311-V368 HydrophobicContact CD-CB 4.32Å; K311-V368 HydrophobicContact CD-CG1 3.99Å; K311-G370 WeakPolarHBondContact CB-O 3.45Å; K311-D372 IonicContact NZ-OD1 2.73Å; K311-D372 PolarHBondContact NZ-OD1 3Å
312	P	97	Very high	91.2	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.013	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-57.9	144.2	-175.7	16	-27.8	0	0	0	113.8	P272 V274 I359 C367 I369 G370	P272-P312 HydrophobicContact CB-CB 4.08Å; P272-P312 VanDerWaalsContact O-CA 3.26Å; P272-P312 WeakPolarHBondContact O-CA 3.17Å; V274-P312 HydrophobicContact CG2-CB 3.96Å; V274-P312 HydrophobicContact CG2-CG 4.37Å; P312-I359 HydrophobicContact CG-CD1 4.26Å; P312-I359 HydrophobicContact CG-CG1 4.49Å; P312-I359 HydrophobicContact CG-CG2 4.41Å; P312-C367 WeakPolarHBondContact CG-SG 3.36Å; P312-I369 HydrophobicContact CG-CD1 4.05Å; P312-G370 PolarHBondContact O-N 3.14Å
313	I	97.9	Very high	90.8	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	157	156.8	54.6	169.6	0	0	0	109.8	V194 A197 L198 L269 P272 I273 V274	V194-I313 HydrophobicContact CB-CD1 4.49Å; V194-I313 HydrophobicContact CG1-CD1 4.09Å; V194-I313 HydrophobicContact CG2-CD1 4.24Å; A197-I313 HydrophobicContact CB-CB 4.15Å; A197-I313 HydrophobicContact CB-CD1 4.35Å; A197-I313 HydrophobicContact CB-CG2 4.13Å; L198-I313 HydrophobicContact CD2-CD1 4.43Å; L198-I313 HydrophobicContact CD2-CG2 3.98Å; L269-I313 HydrophobicContact CD1-CD1 4.25Å; P272-I313 PolarHBondContact O-N 2.79Å; I273-I313 HydrophobicContact CB-CG1 4.34Å; I273-I313 HydrophobicContact CD1-CD1 4.32Å; I273-I313 HydrophobicContact CG1-CD1 4.08Å; I273-I313 HydrophobicContact CG1-CG1 3.91Å; I273-I313 HydrophobicContact CG2-CD1 4.49Å; I273-I313 HydrophobicContact CG2-CG1 4.22Å; V274-I313 PolarHBondContact N-O 2.94Å
314	C	97.9	Very high	90.7	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.007	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.2	179.8	-164.8	0	0	0	0	110.8	V274 L328 I369	V274-C314 WeakPolarHBondContact O-CA 3.41Å; C314-L328 HydrophobicContact CB-CB 4.03Å; C314-L328 PolarHBondContact O-N 2.88Å; C314-I369 HydrophobicContact CB-CG2 3.48Å; C314-I369 VanDerWaalsContact CB-CG2 3.48Å
315	I	97.8	Very high	91.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	162.4	174.6	56.9	170.9	0	0	0	108.3	L190 A193 I262 I273 V274 L275 L276 Y325 V326	L190-I315 HydrophobicContact CD1-CD1 3.67Å; A193-I315 HydrophobicContact CB-CG2 4.07Å; I262-I315 HydrophobicContact CD1-CD1 4.38Å; I262-I315 HydrophobicContact CG2-CD1 4.21Å; I273-I315 HydrophobicContact CG2-CD1 3.96Å; I273-I315 HydrophobicContact CG2-CG1 3.97Å; V274-I315 WeakPolarHBondContact O-CG1 3.35Å; V274-I315 PolarHBondContact O-N 3.14Å; L275-I315 WeakPolarHBondContact CA-O 3.33Å; L275-I315 HydrophobicContact CB-CG1 4.27Å; L275-I315 HydrophobicContact CD1-CD1 4.1Å; L275-I315 HydrophobicContact CD1-CG1 3.88Å; L276-I315 PolarHBondContact N-O 2.96Å; I315-Y325 HydrophobicContact CD1-CD1 4.2Å; I315-V326 CarbonylContact C-O 3.48Å; I315-V326 WeakPolarHBondContact CA-O 3.3Å
316	A	96.4	Very high	91.7	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	160	178.1	0	0	0	0	0	112.6	L161 L276 Y325 V326 L328	L161-A316 HydrophobicContact CD1-CB 3.6Å; L161-A316 HydrophobicContact CD2-CB 4.12Å; L276-A316 HydrophobicContact CB-CB 4.27Å; L276-A316 VanDerWaalsContact O-CA 3.23Å; L276-A316 WeakPolarHBondContact O-CA 3.2Å; A316-Y325 WeakPolarHBondContact O-CA 3.22Å; A316-V326 HydrophobicContact CB-CG2 4.41Å; A316-V326 PolarHBondContact N-O 3.29Å; A316-V326 WeakPolarHBondContact O-CG2 3.4Å; A316-V326 PolarHBondContact O-N 3.25Å; A316-L328 HydrophobicContact CB-CD1 3.8Å; A316-L328 HydrophobicContact CB-CD2 4.43Å; A316-L328 HydrophobicContact CB-CG 3.96Å
317	W	94	Very high	92.3	Very high	14 Å²	14	32.7 Å²	32.7	5%	0.053	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	136.4	165.8	-65.9	114.6	0	0	0	111.2	Y160 L275 L276 Y288 R322 Y325	Y160-W317 HydrophobicContact CE1-CB 4.26Å; L275-W317 HydrophobicContact CD2-CZ2 4.28Å; L276-W317 PolarHBondContact O-N 2.88Å; Y288-W317 PolarHBondContact O-NE1 3.42Å; W317-R322 HydrophobicContact CB-CG 4.37Å; W317-R322 HydrophobicContact CD2-CB 3.78Å; W317-R322 HydrophobicContact CD2-CG 3.99Å; W317-R322 VanDerWaalsContact CE3-C 3.46Å; W317-R322 HydrophobicContact CE3-CB 3.94Å; W317-R322 HydrophobicContact CG-CB 4.22Å; W317-R322 HydrophobicContact CG-CG 3.89Å; W317-R322 HydrophobicContact CH2-CB 4.32Å; W317-R322 VanDerWaalsContact CH2-O 3.3Å; W317-R322 WeakPolarHBondContact CH2-O 3.34Å; W317-R322 HydrophobicContact CZ2-CB 4.22Å; W317-R322 HydrophobicContact CZ3-CB 4.22Å; W317-R322 WeakPolarHBondContact CZ3-O 3.01Å; W317-Y325 HydrophobicContact CD2-CD1 4.46Å; W317-Y325 HydrophobicContact CD2-CE1 4.31Å; W317-Y325 HydrophobicContact CE3-CD1 4.04Å; W317-Y325 HydrophobicContact CE3-CE1 4.05Å; W317-Y325 HydrophobicContact CE3-CG 4.45Å; W317-Y325 HydrophobicContact CH2-CD1 4.18Å; W317-Y325 AromaticContact CH2-CE1 3.39Å; W317-Y325 HydrophobicContact CH2-CE1 3.39Å; W317-Y325 AromaticContact CH2-CE2 3.83Å; W317-Y325 HydrophobicContact CH2-CE2 3.83Å; W317-Y325 AromaticContact CH2-CZ 3.2Å; W317-Y325 VanDerWaalsContact CH2-OH 3.26Å; W317-Y325 WeakPolarHBondContact CH2-OH 3.25Å; W317-Y325 AromaticContact CZ2-CE1 3.64Å; W317-Y325 HydrophobicContact CZ2-CE1 3.64Å; W317-Y325 AromaticContact CZ2-CZ 3.82Å; W317-Y325 AromaticContact CZ3-CD1 3.89Å; W317-Y325 HydrophobicContact CZ3-CD1 3.89Å; W317-Y325 HydrophobicContact CZ3-CD2 4.1Å; W317-Y325 AromaticContact CZ3-CE1 3.58Å; W317-Y325 HydrophobicContact CZ3-CE1 3.58Å; W317-Y325 AromaticContact CZ3-CE2 3.82Å; W317-Y325 HydrophobicContact CZ3-CE2 3.82Å; W317-Y325 HydrophobicContact CZ3-CG 4.16Å; W317-Y325 AromaticContact CZ3-CZ 3.56Å
318	S	91.4	Very high	92.8	Very high	7 Å²	7	30.3 Å²	30.3	5%	0.049	17%	0.173	C	C	.	.	S	Bend	trans	-80.5	-18.6	176.4	69.6	0	0	0	0	114.4	S157 Y160 H324	S157-S318 VanDerWaalsContact CA-O 3.32Å; S157-S318 WeakPolarHBondContact CA-O 3.35Å; S157-S318 PolarHBondContact N-O 3.14Å; Y160-S318 WeakPolarHBondContact CB-O 3.08Å; S318-H324 PolarHBondContact N-O 3.22Å; S318-H324 VanDerWaalsContact N-O 3.08Å; S318-H324 PolarHBondContact OG-CD2 3.15Å; S318-H324 PolarHBondContact OG-O 3.39Å
319	S	90.7	Very high	93.1	Very high	37 Å²	37	25.9 Å²	25.9	26%	0.259	15%	0.154	S	C	.	.	S	Bend	trans	-155.2	165.8	-176.1	79.4	0	0	0	0	112.6	Y160 G321 R322 N323	Y160-S319 WeakPolarHBondContact CE1-O 3.17Å; Y160-S319 VanDerWaalsContact CZ-C 3.43Å; S319-G321 PolarHBondContact O-N 3.46Å; S319-G321 VanDerWaalsContact O-N 3.17Å; S319-G321 PolarHBondContact OG-N 3.02Å; S319-R322 PolarHBondContact O-N 2.92Å; S319-N323 PolarHBondContact OG-OD1 2.99Å
320	S	86.4	Confident	93.2	Very high	95 Å²	95	24.7 Å²	24.7	66%	0.664	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-16	172.1	50.3	0	0	0	0	114.4	Y160 R322	Y160-S320 VanDerWaalsContact CE2-N 3.31Å; Y160-S320 VanDerWaalsContact CZ-N 3.28Å; Y160-S320 WeakPolarHBondContact OH-CA 3.42Å; S320-R322 PolarHBondContact O-N 3.44Å
321	G	83.6	Confident	93.2	Very high	52 Å²	52	24.7 Å²	24.7	54%	0.536	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.5	171.9	0	0	0	0	0	113.8	S319 N323	S319-G321 PolarHBondContact O-N 3.46Å; S319-G321 VanDerWaalsContact O-N 3.17Å; S319-G321 PolarHBondContact OG-N 3.02Å; G321-N323 PolarHBondContact O-N 3.08Å; G321-N323 VanDerWaalsContact O-N 3.12Å
322	R	84	Confident	93	Very high	53 Å²	53	24.7 Å²	24.7	20%	0.2	15%	0.147	C	C	.	.			trans	45.2	45.6	175.9	-60.9	-176.7	177.3	135.4	-15.2	113.6	D277 G281 S284 Y288 W317 S319 S320	D277-R322 IonicContact OD2-CZ 3.2Å; D277-R322 IonicContact OD2-NE 2.72Å; D277-R322 PolarHBondContact OD2-NE 3.43Å; D277-R322 IonicContact OD2-NH2 2.87Å; D277-R322 PolarHBondContact OD2-NH2 3.2Å; G281-R322 VanDerWaalsContact CA-NH2 3.31Å; G281-R322 PolarHBondContact O-NH2 3.44Å; S284-R322 PolarHBondContact OG-NH2 2.95Å; Y288-R322 VanDerWaalsContact CD1-CD 3.41Å; W317-R322 HydrophobicContact CB-CG 4.37Å; W317-R322 HydrophobicContact CD2-CB 3.78Å; W317-R322 HydrophobicContact CD2-CG 3.99Å; W317-R322 VanDerWaalsContact CE3-C 3.46Å; W317-R322 HydrophobicContact CE3-CB 3.94Å; W317-R322 HydrophobicContact CG-CB 4.22Å; W317-R322 HydrophobicContact CG-CG 3.89Å; W317-R322 HydrophobicContact CH2-CB 4.32Å; W317-R322 VanDerWaalsContact CH2-O 3.3Å; W317-R322 WeakPolarHBondContact CH2-O 3.34Å; W317-R322 HydrophobicContact CZ2-CB 4.22Å; W317-R322 HydrophobicContact CZ3-CB 4.22Å; W317-R322 WeakPolarHBondContact CZ3-O 3.01Å; S319-R322 PolarHBondContact O-N 2.92Å; S320-R322 PolarHBondContact O-N 3.44Å
323	N	84.3	Confident	92.6	Very high	122 Å²	122	31.3 Å²	31.3	65%	0.652	18%	0.182	S	C	*	.			trans	-119.5	1.6	-175	64.1	-25	0	0	0	113.2	S319 G321	S319-N323 PolarHBondContact OG-OD1 2.99Å; G321-N323 PolarHBondContact O-N 3.08Å; G321-N323 VanDerWaalsContact O-N 3.12Å
324	H	89.9	Confident	92	Very high	22 Å²	22	34.4 Å²	34.4	10%	0.102	20%	0.201	C	C	.	.			trans	-150.6	129.5	180	-178.2	81	0	0	0	111.1	V183 C189 S318	V183-H324 PolarHBondContact O-CE1 2.95Å; V183-H324 VanDerWaalsContact O-CE1 3.32Å; V183-H324 PolarHBondContact O-NE2 3.33Å; C189-H324 WeakPolarHBondContact CB-ND1 3.45Å; S318-H324 PolarHBondContact N-O 3.22Å; S318-H324 VanDerWaalsContact N-O 3.08Å; S318-H324 PolarHBondContact OG-CD2 3.15Å; S318-H324 PolarHBondContact OG-O 3.39Å
325	Y	94.2	Very high	91.5	Very high	10 Å²	10	39.3 Å²	39.3	4%	0.039	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135.7	178.3	-63.4	-83.8	0	0	0	111	L190 L257 I262 L275 I315 A316 W317	L190-Y325 HydrophobicContact CB-CD2 3.59Å; L190-Y325 HydrophobicContact CB-CE2 3.78Å; L190-Y325 HydrophobicContact CB-CG 4.27Å; L190-Y325 HydrophobicContact CD1-CD1 4.09Å; L190-Y325 HydrophobicContact CD1-CD2 4.04Å; L190-Y325 HydrophobicContact CD1-CE1 4.14Å; L190-Y325 HydrophobicContact CD1-CE2 4.08Å; L190-Y325 HydrophobicContact CD1-CG 4.02Å; L190-Y325 HydrophobicContact CD2-CE2 4.41Å; L190-Y325 HydrophobicContact CG-CD2 4.34Å; L190-Y325 HydrophobicContact CG-CE2 4.29Å; L257-Y325 PolarHBondContact O-OH 2.73Å; I262-Y325 HydrophobicContact CD1-CE1 3.82Å; L275-Y325 HydrophobicContact CD1-CD1 3.94Å; L275-Y325 HydrophobicContact CD1-CE1 3.94Å; L275-Y325 HydrophobicContact CD2-CE1 4.15Å; I315-Y325 HydrophobicContact CD1-CD1 4.2Å; A316-Y325 WeakPolarHBondContact O-CA 3.22Å; W317-Y325 HydrophobicContact CD2-CD1 4.46Å; W317-Y325 HydrophobicContact CD2-CE1 4.31Å; W317-Y325 HydrophobicContact CE3-CD1 4.04Å; W317-Y325 HydrophobicContact CE3-CE1 4.05Å; W317-Y325 HydrophobicContact CE3-CG 4.45Å; W317-Y325 HydrophobicContact CH2-CD1 4.18Å; W317-Y325 AromaticContact CH2-CE1 3.39Å; W317-Y325 HydrophobicContact CH2-CE1 3.39Å; W317-Y325 AromaticContact CH2-CE2 3.83Å; W317-Y325 HydrophobicContact CH2-CE2 3.83Å; W317-Y325 AromaticContact CH2-CZ 3.2Å; W317-Y325 VanDerWaalsContact CH2-OH 3.26Å; W317-Y325 WeakPolarHBondContact CH2-OH 3.25Å; W317-Y325 AromaticContact CZ2-CE1 3.64Å; W317-Y325 HydrophobicContact CZ2-CE1 3.64Å; W317-Y325 AromaticContact CZ2-CZ 3.82Å; W317-Y325 AromaticContact CZ3-CD1 3.89Å; W317-Y325 HydrophobicContact CZ3-CD1 3.89Å; W317-Y325 HydrophobicContact CZ3-CD2 4.1Å; W317-Y325 AromaticContact CZ3-CE1 3.58Å; W317-Y325 HydrophobicContact CZ3-CE1 3.58Å; W317-Y325 AromaticContact CZ3-CE2 3.82Å; W317-Y325 HydrophobicContact CZ3-CE2 3.82Å; W317-Y325 HydrophobicContact CZ3-CG 4.16Å; W317-Y325 AromaticContact CZ3-CZ 3.56Å
326	V	96.3	Very high	91.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.1	170.7	-70.9	0	0	0	0	111.1	D153 L161 P180 I315 A316	D153-V326 HydrophobicContact CB-CG1 4.41Å; L161-V326 HydrophobicContact CD1-CG2 4.43Å; P180-V326 HydrophobicContact CB-CG2 4.15Å; I315-V326 CarbonylContact C-O 3.48Å; I315-V326 WeakPolarHBondContact CA-O 3.3Å; A316-V326 HydrophobicContact CB-CG2 4.41Å; A316-V326 PolarHBondContact N-O 3.29Å; A316-V326 WeakPolarHBondContact O-CG2 3.4Å; A316-V326 PolarHBondContact O-N 3.25Å
327	P	97.4	Very high	91	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	137.6	173.5	30.8	-36.4	0	0	0	111.6	P180 V181 V183 A193 R196 A197 V329	P180-P327 WeakPolarHBondContact CA-O 3.46Å; V181-P327 HydrophobicContact CB-CG 4.05Å; V181-P327 HydrophobicContact CG1-CG 4.13Å; V181-P327 PolarHBondContact N-O 3.46Å; V181-P327 WeakPolarHBondContact O-CD 3.25Å; V183-P327 VanDerWaalsContact CG2-CD 3.5Å; V183-P327 HydrophobicContact CG2-CG 4.05Å; A193-P327 HydrophobicContact CB-CB 4.27Å; A193-P327 HydrophobicContact CB-CG 4.42Å; A193-P327 WeakPolarHBondContact O-CB 3.48Å; R196-P327 HydrophobicContact CB-CB 4.43Å; R196-P327 HydrophobicContact CB-CG 3.96Å; A197-P327 HydrophobicContact CB-CB 4.23Å; P327-V329 HydrophobicContact CB-CG1 3.94Å; P327-V329 HydrophobicContact CG-CG1 4.47Å
328	L	97.4	Very high	91.1	Very high	6 Å²	6	43 Å²	43	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	105.2	168.5	-69	-177.8	0	0	0	108.5	L161 L165 L178 I179 P180 L276 C314 A316	L161-L328 HydrophobicContact CD1-CD2 4.37Å; L165-L328 HydrophobicContact CD2-CD2 4.12Å; L178-L328 HydrophobicContact CD1-CB 4.17Å; L178-L328 HydrophobicContact CD2-CB 4.01Å; L178-L328 HydrophobicContact CD2-CD1 4.22Å; L178-L328 HydrophobicContact CG-CB 4.01Å; I179-L328 WeakPolarHBondContact O-CA 3.27Å; P180-L328 HydrophobicContact CB-CD2 3.84Å; P180-L328 HydrophobicContact CG-CD2 4.5Å; L276-L328 HydrophobicContact CB-CD1 4.3Å; L276-L328 HydrophobicContact CD1-CD1 3.84Å; L276-L328 HydrophobicContact CG-CD1 4.41Å; C314-L328 HydrophobicContact CB-CB 4.03Å; C314-L328 PolarHBondContact O-N 2.88Å; A316-L328 HydrophobicContact CB-CD1 3.8Å; A316-L328 HydrophobicContact CB-CD2 4.43Å; A316-L328 HydrophobicContact CB-CG 3.96Å
329	V	96.3	Very high	91.3	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.03	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	151	-172.1	-51.3	0	0	0	0	112.2	F138 I140 L178 I179 V181 P327	F138-V329 HydrophobicContact CD1-CB 4.29Å; F138-V329 HydrophobicContact CD1-CG1 4.22Å; F138-V329 HydrophobicContact CD1-CG2 4.34Å; I140-V329 HydrophobicContact CB-CG2 4.35Å; I140-V329 HydrophobicContact CG2-CG2 4.18Å; L178-V329 WeakPolarHBondContact CA-O 3.38Å; I179-V329 HydrophobicContact CG1-CG2 4.2Å; I179-V329 PolarHBondContact N-O 2.8Å; I179-V329 PolarHBondContact O-N 2.92Å; V181-V329 HydrophobicContact CB-CG2 4.19Å; V181-V329 HydrophobicContact CG2-CG2 3.51Å; P327-V329 HydrophobicContact CB-CG1 3.94Å; P327-V329 HydrophobicContact CG-CG1 4.47Å
330	G	95.1	Very high	91.5	Very high	5 Å²	5	41.6 Å²	41.6	5%	0.052	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	154.1	177	0	0	0	0	0	112.5	L139 I140 C177	L139-G330 CarbonylContact C-O 3.44Å; L139-G330 VanDerWaalsContact CA-O 3.23Å; L139-G330 WeakPolarHBondContact CA-O 3.17Å; I140-G330 PolarHBondContact N-O 3.22Å; C177-G330 CarbonylContact O-C 3.57Å; C177-G330 VanDerWaalsContact O-CA 3.25Å; C177-G330 WeakPolarHBondContact O-CA 3.23Å
331	I	94.2	Very high	91.7	Very high	16 Å²	16	40.4 Å²	40.4	8%	0.082	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	136.4	171.1	-53.5	-177.2	0	0	0	109.5	I140 P142 V145 C177 I179 T334	I140-I331 HydrophobicContact CG2-CG1 4.18Å; P142-I331 HydrophobicContact CG-CG2 4.1Å; V145-I331 HydrophobicContact CG2-CD1 4.36Å; C177-I331 PolarHBondContact O-N 3.19Å; I179-I331 HydrophobicContact CD1-CG1 4.39Å; I179-I331 HydrophobicContact CG2-CD1 4.11Å; I179-I331 HydrophobicContact CG2-CG1 4.48Å; I331-T334 HydrophobicContact CB-CG2 4.03Å; I331-T334 HydrophobicContact CG2-CG2 4.07Å; I331-T334 PolarHBondContact O-OG1 3.16Å
332	K	91.9	Very high	92.1	Very high	70 Å²	70	45.7 Å²	45.7	30%	0.304	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	152.1	179.5	-156.3	-163.9	-174.1	-174.8	0	110.6	L139 I140 E141 T334	L139-K332 HydrophobicContact CB-CB 3.96Å; L139-K332 HydrophobicContact CB-CG 4.18Å; I140-K332 WeakPolarHBondContact O-CB 3.23Å; I140-K332 PolarHBondContact O-N 3.06Å; E141-K332 VanDerWaalsContact CD-CD 3.41Å; E141-K332 VanDerWaalsContact OE1-CD 3.27Å; E141-K332 WeakPolarHBondContact OE1-CD 3.46Å; E141-K332 WeakPolarHBondContact OE1-CE 3.44Å; E141-K332 IonicContact OE1-NZ 2.68Å; E141-K332 PolarHBondContact OE1-NZ 3.4Å; E141-K332 WeakPolarHBondContact OE2-CD 3.36Å; E141-K332 IonicContact OE2-NZ 3.98Å; K332-T334 PolarHBondContact O-N 2.77Å; K332-T334 VanDerWaalsContact O-N 3.15Å
333	N	87.4	Confident	92.5	Very high	141 Å²	141	43.5 Å²	43.5	75%	0.754	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	8.7	-175.1	-46.1	-35.7	0	0	0	114.3
334	T	85.8	Confident	93	Very high	67 Å²	67	39.1 Å²	39.1	41%	0.411	20%	0.201	S	C	.	.	S	Bend	trans	-103.1	174.6	167.2	77.3	0	0	0	0	111.4	I331 K332	I331-T334 HydrophobicContact CB-CG2 4.03Å; I331-T334 HydrophobicContact CG2-CG2 4.07Å; I331-T334 PolarHBondContact O-OG1 3.16Å; K332-T334 PolarHBondContact O-N 2.77Å; K332-T334 VanDerWaalsContact O-N 3.15Å
335	V	86.7	Confident	93.1	Very high	103 Å²	103	38.9 Å²	38.9	62%	0.624	20%	0.201	S	C	*	.	P	Polyproline II helix	trans	-67.7	143.2	172.3	-176.9	0	0	0	0	109.5
336	L	91	Very high	93.1	Very high	41 Å²	41	45.9 Å²	45.9	22%	0.215	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-58.8	130.4	175.7	-69.6	-179.7	0	0	0	110.4	L139 K311 K338 V368 D372	L139-L336 HydrophobicContact CD1-CD2 4.27Å; L139-L336 HydrophobicContact CD2-CD2 4.32Å; K311-L336 HydrophobicContact CD-CD1 4.39Å; L336-K338 PolarHBondContact O-N 2.67Å; L336-V368 HydrophobicContact CB-CG1 3.69Å; L336-V368 HydrophobicContact CD1-CG1 4.1Å; L336-D372 HydrophobicContact CD1-CB 4.46Å
337	P	93.4	Very high	93	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.019	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-62.6	131.5	-173.5	-26.3	36.2	0	0	0	113.9	C177 L178 I369	C177-P337 HydrophobicContact CB-CB 4.45Å; C177-P337 HydrophobicContact CB-CG 4.09Å; C177-P337 WeakPolarHBondContact O-CG 3.02Å; L178-P337 HydrophobicContact CB-CB 3.94Å; L178-P337 HydrophobicContact CB-CG 4Å; L178-P337 HydrophobicContact CD1-CB 3.95Å; L178-P337 HydrophobicContact CD1-CG 3.84Å; L178-P337 HydrophobicContact CG-CB 4.43Å; P337-I369 HydrophobicContact CB-CB 4.43Å; P337-I369 PolarHBondContact O-N 2.76Å
338	K	94.9	Very high	92.9	Very high	49 Å²	49	48.3 Å²	48.3	21%	0.213	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.7	169.6	-71.3	-173.5	160.6	-146.7	0	111.1	N172 L336 E362 D364 S366 V368	N172-K338 PolarHBondContact ND2-O 2.85Å; N172-K338 PolarHBondContact OD1-N 3.37Å; L336-K338 PolarHBondContact O-N 2.67Å; K338-E362 VanDerWaalsContact CE-OE2 3.3Å; K338-E362 WeakPolarHBondContact CE-OE2 3.48Å; K338-E362 IonicContact NZ-OE2 3.82Å; K338-E362 PolarHBondContact NZ-OE2 3.39Å; K338-D364 IonicContact NZ-OD2 2.92Å; K338-D364 PolarHBondContact NZ-OD2 2.64Å; K338-S366 PolarHBondContact NZ-OG 3.14Å; K338-V368 HydrophobicContact CG-CG2 4.39Å
339	L	95.9	Very high	92.5	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	115.5	165.9	-174.4	67.2	0	0	0	108.1	I168 V274 L276 L343 L344 S366 C367 I369	I168-L339 HydrophobicContact CD1-CD1 3.79Å; I168-L339 HydrophobicContact CG1-CD1 3.95Å; V274-L339 HydrophobicContact CG1-CD2 4.09Å; L276-L339 HydrophobicContact CD1-CD1 3.85Å; L276-L339 HydrophobicContact CD2-CD1 4.48Å; L276-L339 HydrophobicContact CD2-CD2 4.33Å; L339-L343 HydrophobicContact CD1-CB 3.59Å; L339-L343 HydrophobicContact CD1-CD1 4.33Å; L339-L343 HydrophobicContact CG-CB 4.14Å; L339-L344 HydrophobicContact CD2-CB 4.32Å; L339-L344 HydrophobicContact CD2-CD1 4.06Å; L339-S366 WeakPolarHBondContact O-CA 3.47Å; L339-S366 WeakPolarHBondContact O-CB 3.02Å; L339-C367 HydrophobicContact CB-CB 4.38Å; L339-C367 PolarHBondContact N-O 2.83Å; L339-C367 PolarHBondContact O-N 2.68Å; L339-I369 HydrophobicContact CB-CD1 3.94Å; L339-I369 HydrophobicContact CB-CG1 3.91Å; L339-I369 HydrophobicContact CD2-CD1 4.18Å
340	P	94.6	Very high	92.4	Very high	12 Å²	12	50 Å²	50	8%	0.078	26%	0.26	C	S	.	.			trans	-66	150	179.1	27.7	-35.5	0	0	0	111	A171 R342 L343 L344	A171-P340 HydrophobicContact CB-CB 3.93Å; A171-P340 HydrophobicContact CB-CG 3.76Å; P340-R342 PolarHBondContact O-N 3.07Å; P340-L343 HydrophobicContact CG-CB 4.31Å; P340-L343 HydrophobicContact CG-CD1 3.74Å; P340-L343 HydrophobicContact CG-CG 3.94Å; P340-L343 PolarHBondContact O-N 3.23Å; P340-L344 PolarHBondContact O-N 3.12Å
341	P	92.3	Very high	92.3	Very high	70 Å²	70	53.6 Å²	53.6	46%	0.455	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-56	-34.1	-169.9	15.2	-28.4	0	0	0	114.4	L343 L344 G365	P341-L343 PolarHBondContact O-N 2.9Å; P341-L344 PolarHBondContact O-N 3.24Å; P341-G365 WeakPolarHBondContact CB-O 3.33Å
342	R	90.9	Very high	92.3	Very high	163 Å²	163	56.4 Å²	56.4	62%	0.615	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-68	-8.3	176.5	62.8	-179.3	163.2	124.7	3.3	115.5	E167 P340	E167-R342 IonicContact OE1-CZ 3.16Å; E167-R342 IonicContact OE1-NH1 2.72Å; E167-R342 PolarHBondContact OE1-NH1 3.45Å; E167-R342 IonicContact OE1-NH2 3.4Å; E167-R342 PolarHBondContact OE1-NH2 3.44Å; E167-R342 IonicContact OE2-CZ 2.73Å; E167-R342 IonicContact OE2-NH1 2.85Å; E167-R342 PolarHBondContact OE2-NH1 3.02Å; E167-R342 IonicContact OE2-NH2 2.68Å; P340-R342 PolarHBondContact O-N 3.07Å
343	L	93.3	Very high	92.5	Very high	7 Å²	7	59.7 Å²	59.7	4%	0.037	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-113.5	-0.5	174.5	-58.9	-177.2	0	0	0	112.6	E167 I168 L276 M279 M282 L339 P340 P341 P345	E167-L343 HydrophobicContact CB-CD1 4.01Å; E167-L343 HydrophobicContact CG-CD1 4.02Å; I168-L343 HydrophobicContact CG1-CD1 3.73Å; L276-L343 WeakPolarHBondContact CD2-O 3.4Å; M279-L343 HydrophobicContact CE-CD2 4.03Å; M279-L343 HydrophobicContact SD-CD2 3.52Å; M279-L343 VanDerWaalsContact SD-CD2 3.52Å; M282-L343 HydrophobicContact CE-CD2 4.06Å; L339-L343 HydrophobicContact CD1-CB 3.59Å; L339-L343 HydrophobicContact CD1-CD1 4.33Å; L339-L343 HydrophobicContact CG-CB 4.14Å; P340-L343 HydrophobicContact CG-CB 4.31Å; P340-L343 HydrophobicContact CG-CD1 3.74Å; P340-L343 HydrophobicContact CG-CG 3.94Å; P340-L343 PolarHBondContact O-N 3.23Å; P341-L343 PolarHBondContact O-N 2.9Å; L343-P345 VanDerWaalsContact O-CD 3.25Å; L343-P345 WeakPolarHBondContact O-CD 3.38Å
344	L	93.7	Very high	92.9	Very high	31 Å²	31	55.1 Å²	55.1	16%	0.162	29%	0.287	C	S	.	.	S	Bend	trans	-80	113.9	172.6	-179.3	64.6	0	0	0	108.6	V274 L339 P340 P341 I355 L361 C367	V274-L344 HydrophobicContact CG2-CD1 4.11Å; L339-L344 HydrophobicContact CD2-CB 4.32Å; L339-L344 HydrophobicContact CD2-CD1 4.06Å; P340-L344 PolarHBondContact O-N 3.12Å; P341-L344 PolarHBondContact O-N 3.24Å; L344-I355 HydrophobicContact CD2-CG2 4.21Å; L344-L361 HydrophobicContact CD2-CD2 3.96Å; L344-C367 HydrophobicContact CD1-CB 4.38Å; L344-C367 HydrophobicContact CD2-CB 4.45Å
345	P	93.4	Very high	93.3	Very high	16 Å²	16	52.9 Å²	52.9	10%	0.104	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-69.5	159.5	-179	-19.9	35	0	0	0	112.3	V274 L276 A290 T291 L343	V274-P345 HydrophobicContact CG1-CG 4.18Å; L276-P345 HydrophobicContact CD2-CG 3.79Å; A290-P345 VanDerWaalsContact CA-CB 3.46Å; T291-P345 WeakPolarHBondContact CB-O 3.43Å; T291-P345 PolarHBondContact OG1-O 2.66Å; L343-P345 VanDerWaalsContact O-CD 3.25Å; L343-P345 WeakPolarHBondContact O-CD 3.38Å
346	K	93.2	Very high	93.7	Very high	157 Å²	157	58 Å²	58	68%	0.683	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-58.1	153.8	172.8	-71.9	-176.5	-179.4	178.8	0	111.9	T291 Q352	T291-K346 PolarHBondContact N-O 3.16Å; K346-Q352 VanDerWaalsContact CB-OE1 3.28Å
347	A	95.1	Very high	93.8	Very high	9 Å²	9	60 Å²	60	7%	0.074	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-65	136.6	172.3	0	0	0	0	0	110.9	T291 L293 V350 Q352 I355	T291-A347 CarbonylContact O-C 3.43Å; T291-A347 VanDerWaalsContact O-CA 3.25Å; T291-A347 WeakPolarHBondContact O-CA 3.38Å; L293-A347 HydrophobicContact CD1-CB 4.16Å; A347-V350 HydrophobicContact CB-CG2 4.01Å; A347-Q352 PolarHBondContact O-NE2 3.37Å; A347-I355 HydrophobicContact CB-CD1 4.09Å; A347-I355 HydrophobicContact CB-CG1 3.95Å
348	W	94.1	Very high	93.9	Very high	42 Å²	42	60.4 Å²	60.4	16%	0.159	29%	0.288	C	S	.	.	S	Bend	trans	-96.6	136.3	176.6	-165.3	81.5	0	0	0	111.7	F227 N259 I260 F263 A290 T291 F292 V350	F227-W348 HydrophobicContact CD1-CH2 4.23Å; F227-W348 HydrophobicContact CD1-CZ3 4.49Å; F227-W348 HydrophobicContact CE1-CE3 4.09Å; F227-W348 AromaticContact CE1-CH2 3.55Å; F227-W348 HydrophobicContact CE1-CH2 3.55Å; F227-W348 HydrophobicContact CE1-CZ2 4.28Å; F227-W348 AromaticContact CE1-CZ3 3.44Å; F227-W348 HydrophobicContact CE1-CZ3 3.44Å; F227-W348 VanDerWaalsContact CE1-CZ3 3.44Å; F227-W348 HydrophobicContact CE2-CZ3 4.31Å; F227-W348 HydrophobicContact CZ-CE3 4.02Å; F227-W348 AromaticContact CZ-CH2 3.88Å; F227-W348 HydrophobicContact CZ-CH2 3.88Å; F227-W348 AromaticContact CZ-CZ3 3.34Å; F227-W348 HydrophobicContact CZ-CZ3 3.34Å; N259-W348 HydrophobicContact CB-CH2 4.43Å; N259-W348 HydrophobicContact CB-CZ2 3.96Å; I260-W348 HydrophobicContact CB-CH2 4Å; I260-W348 HydrophobicContact CB-CZ3 4.43Å; I260-W348 HydrophobicContact CD1-CH2 3.99Å; I260-W348 HydrophobicContact CD1-CZ3 3.91Å; F263-W348 HydrophobicContact CB-CE3 3.79Å; F263-W348 HydrophobicContact CB-CZ3 3.71Å; F263-W348 HydrophobicContact CD1-CZ3 4.33Å; F263-W348 HydrophobicContact CD2-CE3 4.45Å; F263-W348 HydrophobicContact CG-CE3 4.08Å; F263-W348 HydrophobicContact CG-CZ3 4.08Å; A290-W348 HydrophobicContact CB-CB 3.71Å; A290-W348 HydrophobicContact CB-CG 4.23Å; T291-W348 PolarHBondContact O-N 3.01Å; F292-W348 HydrophobicContact CD1-CB 3.79Å; F292-W348 HydrophobicContact CD1-CD2 4.22Å; F292-W348 AromaticContact CD1-CE3 3.97Å; F292-W348 HydrophobicContact CD1-CE3 3.97Å; F292-W348 HydrophobicContact CD1-CG 4.18Å; F292-W348 HydrophobicContact CE1-CB 3.64Å; F292-W348 AromaticContact CE1-CD2 3.62Å; F292-W348 HydrophobicContact CE1-CD2 3.62Å; F292-W348 AromaticContact CE1-CE3 3.72Å; F292-W348 HydrophobicContact CE1-CE3 3.72Å; F292-W348 AromaticContact CE1-CG 3.6Å; F292-W348 HydrophobicContact CE1-CG 3.6Å; F292-W348 HydrophobicContact CZ-CB 4.32Å; F292-W348 HydrophobicContact CZ-CG 4.3Å; W348-V350 PolarHBondContact O-N 2.86Å
349	G	89.5	Confident	94	Very high	30 Å²	30	58.1 Å²	58.1	31%	0.309	28%	0.279	S	S	.	.	S	Bend	trans	66.1	-0.2	175	0	0	0	0	0	116.2
350	V	93.1	Very high	93.8	Very high	18 Å²	18	66 Å²	66	11%	0.109	31%	0.308	C	S	.	.	S	Bend	trans	-144.3	159.7	-176	-57.2	0	0	0	0	112.1	L226 F263 L293 A347 W348 L354	L226-V350 HydrophobicContact CD2-CG1 4.45Å; F263-V350 HydrophobicContact CE2-CG1 3.72Å; F263-V350 HydrophobicContact CZ-CG1 3.77Å; L293-V350 HydrophobicContact CB-CG2 4.28Å; L293-V350 HydrophobicContact CD1-CG2 4.01Å; L293-V350 HydrophobicContact CG-CG2 4.38Å; A347-V350 HydrophobicContact CB-CG2 4.01Å; W348-V350 PolarHBondContact O-N 2.86Å; V350-L354 HydrophobicContact CB-CD1 4.07Å; V350-L354 HydrophobicContact CG2-CD1 4.25Å
351	P	94.6	Very high	93.8	Very high	80 Å²	80	68 Å²	68	52%	0.519	32%	0.318	S	S	.	.			trans	-58.4	145	177.9	-25.2	35	0	0	0	113.8	E353 L354	P351-E353 VanDerWaalsContact C-N 3.27Å; P351-E353 WeakPolarHBondContact CB-OE2 3.43Å; P351-E353 PolarHBondContact O-N 3.09Å; P351-L354 WeakPolarHBondContact O-CB 3.44Å; P351-L354 PolarHBondContact O-N 3.02Å
352	Q	94.6	Very high	93.9	Very high	75 Å²	75	67.9 Å²	67.9	35%	0.35	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-70.2	-25.2	-171.6	-58	-59.8	-56.6	0	0	112.7	K346 A347 L354 I355	K346-Q352 VanDerWaalsContact CB-OE1 3.28Å; A347-Q352 PolarHBondContact O-NE2 3.37Å; Q352-L354 PolarHBondContact O-N 2.94Å; Q352-I355 WeakPolarHBondContact O-CB 3.18Å; Q352-I355 WeakPolarHBondContact O-CG1 3.19Å; Q352-I355 PolarHBondContact O-N 3.43Å; Q352-I355 VanDerWaalsContact O-N 3.15Å
353	E	94.9	Very high	94	Very high	139 Å²	139	66.6 Å²	66.6	65%	0.65	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-60.3	-32.3	179.1	-61	65.9	-142.9	0	0	111	P351 I355 R356	P351-E353 VanDerWaalsContact C-N 3.27Å; P351-E353 WeakPolarHBondContact CB-OE2 3.43Å; P351-E353 PolarHBondContact O-N 3.09Å; E353-I355 PolarHBondContact O-N 3.06Å; E353-R356 PolarHBondContact O-N 3.32Å
354	L	95.4	Very high	93.9	Very high	44 Å²	44	70.8 Å²	70.8	23%	0.23	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-65.3	-18	179.7	-61.8	-178.2	0	0	0	113.4	L293 V350 P351 Q352 R356 K357 Y358	L293-L354 HydrophobicContact CD1-CB 3.71Å; V350-L354 HydrophobicContact CB-CD1 4.07Å; V350-L354 HydrophobicContact CG2-CD1 4.25Å; P351-L354 WeakPolarHBondContact O-CB 3.44Å; P351-L354 PolarHBondContact O-N 3.02Å; Q352-L354 PolarHBondContact O-N 2.94Å; L354-R356 PolarHBondContact O-N 3.19Å; L354-K357 HydrophobicContact CD2-CD 3.92Å; L354-K357 WeakPolarHBondContact O-CB 3.47Å; L354-K357 PolarHBondContact O-N 3.21Å; L354-Y358 HydrophobicContact CB-CD2 4.23Å; L354-Y358 HydrophobicContact CB-CE2 4.34Å; L354-Y358 HydrophobicContact CD2-CE2 4.5Å; L354-Y358 WeakPolarHBondContact O-CD2 3.5Å; L354-Y358 PolarHBondContact O-N 3.48Å; L354-Y358 VanDerWaalsContact O-N 3.08Å
355	I	95.7	Very high	93.8	Very high	20 Å²	20	70.4 Å²	70.4	10%	0.103	35%	0.35	C	S	.	.	H	α-helix	trans	-54	-45.1	172.3	-66.4	175.7	0	0	0	109.7	L293 L344 A347 Q352 E353 K357 I359	L293-I355 HydrophobicContact CD1-CG1 4.13Å; L344-I355 HydrophobicContact CD2-CG2 4.21Å; A347-I355 HydrophobicContact CB-CD1 4.09Å; A347-I355 HydrophobicContact CB-CG1 3.95Å; Q352-I355 WeakPolarHBondContact O-CB 3.18Å; Q352-I355 WeakPolarHBondContact O-CG1 3.19Å; Q352-I355 PolarHBondContact O-N 3.43Å; Q352-I355 VanDerWaalsContact O-N 3.15Å; E353-I355 PolarHBondContact O-N 3.06Å; I355-K357 PolarHBondContact O-N 2.91Å; I355-I359 HydrophobicContact CG2-CB 4.47Å; I355-I359 HydrophobicContact CG2-CD1 4.43Å; I355-I359 WeakPolarHBondContact O-CA 3.38Å; I355-I359 VanDerWaalsContact O-CB 3.29Å; I355-I359 WeakPolarHBondContact O-CB 3.43Å; I355-I359 PolarHBondContact O-N 2.68Å
356	R	94	Very high	93.8	Very high	212 Å²	212	69.9 Å²	69.9	80%	0.8	35%	0.347	S	S	*	.	H	α-helix	trans	-73.4	-15.1	-179.5	-64.4	179.3	-179.6	161.2	0.5	113.8	E353 L354 L361	E353-R356 PolarHBondContact O-N 3.32Å; L354-R356 PolarHBondContact O-N 3.19Å; R356-L361 HydrophobicContact CG-CD1 4.44Å
357	K	93.9	Very high	93.9	Very high	83 Å²	83	62.4 Å²	62.4	36%	0.361	32%	0.315	S	S	.	.	H	α-helix	trans	-82.1	-47	177.2	-164.3	-173.4	-176.5	-168.1	0	111.1	E299 L354 I355	E299-K357 HydrophobicContact CB-CD 4.42Å; E299-K357 HydrophobicContact CB-CG 4.19Å; E299-K357 WeakPolarHBondContact OE2-CE 3.46Å; E299-K357 WeakPolarHBondContact OE2-CG 3.42Å; L354-K357 HydrophobicContact CD2-CD 3.92Å; L354-K357 WeakPolarHBondContact O-CB 3.47Å; L354-K357 PolarHBondContact O-N 3.21Å; I355-K357 PolarHBondContact O-N 2.91Å
358	Y	95.9	Very high	93.9	Very high	10 Å²	10	63 Å²	63	4%	0.039	32%	0.317	C	S	.	.	H	α-helix	trans	-97.7	-20.6	-175.4	-65.8	-82.8	0	0	0	114.3	L293 P294 V297 E299 C302 P309 L354	L293-Y358 HydrophobicContact CB-CD2 4.41Å; L293-Y358 HydrophobicContact CD1-CD2 4.38Å; P294-Y358 HydrophobicContact CG-CD1 3.52Å; P294-Y358 HydrophobicContact CG-CE1 3.81Å; P294-Y358 HydrophobicContact CG-CG 4.16Å; P294-Y358 PolarHBondContact O-OH 2.87Å; V297-Y358 WeakPolarHBondContact O-CE1 3.33Å; V297-Y358 PolarHBondContact O-OH 2.87Å; E299-Y358 HydrophobicContact CB-CE1 4.18Å; C302-Y358 HydrophobicContact CB-CD1 3.92Å; C302-Y358 HydrophobicContact CB-CE1 4.21Å; P309-Y358 WeakPolarHBondContact CB-O 3.4Å; L354-Y358 HydrophobicContact CB-CD2 4.23Å; L354-Y358 HydrophobicContact CB-CE2 4.34Å; L354-Y358 HydrophobicContact CD2-CE2 4.5Å; L354-Y358 WeakPolarHBondContact O-CD2 3.5Å; L354-Y358 PolarHBondContact O-N 3.48Å; L354-Y358 VanDerWaalsContact O-N 3.08Å
359	I	95.1	Very high	94	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.01	31%	0.31	C	S	.	.	S	Bend	trans	-117.4	119.5	177.7	-59.9	176.7	0	0	0	109.4	P272 T291 L293 P312 I355 L361 C367	P272-I359 HydrophobicContact CB-CD1 3.9Å; P272-I359 HydrophobicContact CB-CG1 3.81Å; P272-I359 HydrophobicContact CG-CD1 4.33Å; P272-I359 HydrophobicContact CG-CG1 3.7Å; T291-I359 HydrophobicContact CG2-CD1 3.71Å; L293-I359 HydrophobicContact CD2-CD1 3.96Å; L293-I359 HydrophobicContact CD2-CG1 4.2Å; P312-I359 HydrophobicContact CG-CD1 4.26Å; P312-I359 HydrophobicContact CG-CG1 4.49Å; P312-I359 HydrophobicContact CG-CG2 4.41Å; I355-I359 HydrophobicContact CG2-CB 4.47Å; I355-I359 HydrophobicContact CG2-CD1 4.43Å; I355-I359 WeakPolarHBondContact O-CA 3.38Å; I355-I359 VanDerWaalsContact O-CB 3.29Å; I355-I359 WeakPolarHBondContact O-CB 3.43Å; I355-I359 PolarHBondContact O-N 2.68Å; I359-L361 HydrophobicContact CG2-CD2 3.94Å; I359-L361 PolarHBondContact O-N 2.78Å; I359-C367 WeakPolarHBondContact CG2-SG 3.44Å
360	R	93.3	Very high	93.9	Very high	167 Å²	167	60.2 Å²	60.2	63%	0.63	30%	0.301	S	S	*	.			trans	-75.7	104.9	169	-173.4	176.9	-173.5	134.4	3.3	109.3
361	L	94.5	Very high	93.4	Very high	54 Å²	54	59.6 Å²	59.6	28%	0.283	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-78.5	152	170.8	-59.8	176.9	0	0	0	111	L344 R356 I359 C367	L344-L361 HydrophobicContact CD2-CD2 3.96Å; R356-L361 HydrophobicContact CG-CD1 4.44Å; I359-L361 HydrophobicContact CG2-CD2 3.94Å; I359-L361 PolarHBondContact O-N 2.78Å; L361-C367 HydrophobicContact CD2-CB 3.93Å
362	E	93.9	Very high	92.6	Very high	67 Å²	67	60.5 Å²	60.5	31%	0.313	30%	0.299	S	S	.	.			trans	-80.6	165.5	173.7	-67.7	-81.5	113.8	0	0	111	K338 D364 G365 S366 V368	K338-E362 VanDerWaalsContact CE-OE2 3.3Å; K338-E362 WeakPolarHBondContact CE-OE2 3.48Å; K338-E362 IonicContact NZ-OE2 3.82Å; K338-E362 PolarHBondContact NZ-OE2 3.39Å; E362-D364 WeakPolarHBondContact CB-OD1 3.29Å; E362-D364 PolarHBondContact O-N 3.45Å; E362-G365 WeakPolarHBondContact O-CA 3.4Å; E362-G365 PolarHBondContact O-N 3.34Å; E362-S366 WeakPolarHBondContact CB-O 3.48Å; E362-S366 WeakPolarHBondContact CB-OG 3.34Å; E362-S366 PolarHBondContact N-O 3.32Å; E362-V368 HydrophobicContact CG-CG2 3.76Å
363	P	92.8	Very high	92.2	Very high	136 Å²	136	59.9 Å²	59.9	88%	0.883	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.9	-178.3	-24.1	35.2	0	0	0	115	G365	P363-G365 VanDerWaalsContact C-N 3.25Å
364	D	91.3	Very high	91.8	Very high	94 Å²	94	55.7 Å²	55.7	50%	0.503	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	3.5	173.3	57.6	13.3	0	0	0	113	K338 E362 S366	K338-D364 IonicContact NZ-OD2 2.92Å; K338-D364 PolarHBondContact NZ-OD2 2.64Å; E362-D364 WeakPolarHBondContact CB-OD1 3.29Å; E362-D364 PolarHBondContact O-N 3.45Å; D364-S366 VanDerWaalsContact CG-OG 3.27Å; D364-S366 PolarHBondContact O-N 3.37Å; D364-S366 WeakPolarHBondContact OD1-CB 3.18Å; D364-S366 PolarHBondContact OD1-N 2.9Å; D364-S366 PolarHBondContact OD1-OG 3.06Å; D364-S366 PolarHBondContact OD2-OG 3.22Å
365	G	91.4	Very high	91.6	Very high	24 Å²	24	55.1 Å²	55.1	25%	0.247	28%	0.276	C	S	.	.	S	Bend	trans	76.6	0.6	-174	0	0	0	0	0	114.6	P341 E362 P363	P341-G365 WeakPolarHBondContact CB-O 3.33Å; E362-G365 WeakPolarHBondContact O-CA 3.4Å; E362-G365 PolarHBondContact O-N 3.34Å; P363-G365 VanDerWaalsContact C-N 3.25Å
366	S	94.1	Very high	91.3	Very high	4 Å²	4	60.9 Å²	60.9	3%	0.028	30%	0.303	C	S	.	.			trans	-71.8	157.8	178.1	68.8	0	0	0	0	112.4	K338 L339 E362 D364	K338-S366 PolarHBondContact NZ-OG 3.14Å; L339-S366 WeakPolarHBondContact O-CA 3.47Å; L339-S366 WeakPolarHBondContact O-CB 3.02Å; E362-S366 WeakPolarHBondContact CB-O 3.48Å; E362-S366 WeakPolarHBondContact CB-OG 3.34Å; E362-S366 PolarHBondContact N-O 3.32Å; D364-S366 VanDerWaalsContact CG-OG 3.27Å; D364-S366 PolarHBondContact O-N 3.37Å; D364-S366 WeakPolarHBondContact OD1-CB 3.18Å; D364-S366 PolarHBondContact OD1-N 2.9Å; D364-S366 PolarHBondContact OD1-OG 3.06Å; D364-S366 PolarHBondContact OD2-OG 3.22Å
367	C	95.4	Very high	91	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.007	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.4	179.5	-178.5	0	0	0	0	109.8	P312 L339 L344 I359 L361	P312-C367 WeakPolarHBondContact CG-SG 3.36Å; L339-C367 HydrophobicContact CB-CB 4.38Å; L339-C367 PolarHBondContact N-O 2.83Å; L339-C367 PolarHBondContact O-N 2.68Å; L344-C367 HydrophobicContact CD1-CB 4.38Å; L344-C367 HydrophobicContact CD2-CB 4.45Å; I359-C367 WeakPolarHBondContact CG2-SG 3.44Å; L361-C367 HydrophobicContact CD2-CB 3.93Å
368	V	95.4	Very high	90.8	Very high	20 Å²	20	58.2 Å²	58.2	12%	0.121	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	121.4	177.2	-171.4	0	0	0	0	109.8	K311 L336 K338 E362	K311-V368 HydrophobicContact CD-CB 4.32Å; K311-V368 HydrophobicContact CD-CG1 3.99Å; L336-V368 HydrophobicContact CB-CG1 3.69Å; L336-V368 HydrophobicContact CD1-CG1 4.1Å; K338-V368 HydrophobicContact CG-CG2 4.39Å; E362-V368 HydrophobicContact CG-CG2 3.76Å
369	I	95.1	Very high	90.7	Very high	3 Å²	3	61.3 Å²	61.3	2%	0.015	31%	0.312	C	S	.	.			trans	-92.4	148.6	-176	-56.2	-54.5	0	0	0	111.3	L178 P312 C314 P337 L339 G371	L178-I369 HydrophobicContact CD1-CG2 4.08Å; P312-I369 HydrophobicContact CG-CD1 4.05Å; C314-I369 HydrophobicContact CB-CG2 3.48Å; C314-I369 VanDerWaalsContact CB-CG2 3.48Å; P337-I369 HydrophobicContact CB-CB 4.43Å; P337-I369 PolarHBondContact O-N 2.76Å; L339-I369 HydrophobicContact CB-CD1 3.94Å; L339-I369 HydrophobicContact CB-CG1 3.91Å; L339-I369 HydrophobicContact CD2-CD1 4.18Å; I369-G371 PolarHBondContact O-N 2.95Å
370	G	87.4	Confident	90.5	Very high	12 Å²	12	61.4 Å²	61.4	12%	0.124	31%	0.313	C	S	.	.	S	Bend	trans	73.8	-119	172.4	0	0	0	0	0	111.6	R271 K311 P312	R271-G370 PolarHBondContact NH2-O 2.61Å; K311-G370 WeakPolarHBondContact CB-O 3.45Å; P312-G370 PolarHBondContact O-N 3.14Å
371	G	83.1	Confident	90.4	Very high	5 Å²	5	55 Å²	55	5%	0.052	29%	0.29	C	S	.	.			trans	156.3	173.2	179.8	0	0	0	0	0	114.2	A137 I369	A137-G371 VanDerWaalsContact CB-N 3.26Å; I369-G371 PolarHBondContact O-N 2.95Å
372	D	77.1	Confident	90.4	Very high	98 Å²	98	57.4 Å²	57.4	52%	0.524	30%	0.296	S	S	.	.	S	Bend	trans	-92.6	-12	-174	45.7	-62.3	0	0	0	113.5	K311 L336 S374	K311-D372 IonicContact NZ-OD1 2.73Å; K311-D372 PolarHBondContact NZ-OD1 3Å; L336-D372 HydrophobicContact CD1-CB 4.46Å; D372-S374 PolarHBondContact O-N 2.82Å
373	R	85.6	Confident	90.5	Very high	63 Å²	63	54.7 Å²	54.7	24%	0.238	28%	0.283	C	S	.	.			trans	-95	75.1	-177	-64.1	-174.7	-173.6	174.7	12.3	112.3	D135 R136 A137 K305 D306	D135-R373 WeakPolarHBondContact O-CB 3.39Å; D135-R373 VanDerWaalsContact OD2-CD 3.3Å; D135-R373 WeakPolarHBondContact OD2-CD 3.22Å; D135-R373 IonicContact OD2-CZ 3.94Å; D135-R373 IonicContact OD2-NE 3.83Å; D135-R373 IonicContact OD2-NH1 2.89Å; D135-R373 PolarHBondContact OD2-NH1 2.95Å; R136-R373 WeakPolarHBondContact CA-O 3.25Å; R136-R373 VanDerWaalsContact CD-O 3.32Å; R136-R373 WeakPolarHBondContact CD-O 3.11Å; A137-R373 PolarHBondContact N-O 2.75Å; A137-R373 VanDerWaalsContact N-O 3.12Å; K305-R373 VanDerWaalsContact N-NH1 3.17Å; D306-R373 IonicContact OD1-CZ 2.72Å; D306-R373 IonicContact OD1-NH1 3.14Å; D306-R373 IonicContact OD1-NH2 2.83Å; D306-R373 PolarHBondContact OD1-NH2 3.3Å; D306-R373 IonicContact OD2-NH2 2.73Å
374	S	87.9	Confident	90.6	Very high	50 Å²	50	48.2 Å²	48.2	35%	0.35	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-66.6	162.5	169	63.7	0	0	0	0	112.3	R136 A137 D372	R136-S374 PolarHBondContact NH1-O 3.21Å; R136-S374 VanDerWaalsContact NH1-O 3.12Å; A137-S374 VanDerWaalsContact O-CA 3.25Å; A137-S374 WeakPolarHBondContact O-CA 3.43Å; D372-S374 PolarHBondContact O-N 2.82Å
375	L	89.7	Confident	90.7	Very high	33 Å²	33	47.6 Å²	47.6	17%	0.173	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-85.4	135.5	162.5	-166.8	67.5	0	0	0	107.9	V199 Y379 L380	V199-L375 HydrophobicContact CB-CD2 4.46Å; V199-L375 HydrophobicContact CG1-CB 4.39Å; V199-L375 HydrophobicContact CG1-CD2 4.11Å; L375-Y379 HydrophobicContact CD1-CD1 3.75Å; L375-Y379 HydrophobicContact CD1-CE1 4.08Å; L375-Y379 HydrophobicContact CD2-CD1 4.14Å; L375-Y379 HydrophobicContact CD2-CE1 4.41Å; L375-Y379 HydrophobicContact CG-CD1 4.03Å; L375-L380 HydrophobicContact CD2-CB 4.46Å; L375-L380 HydrophobicContact CD2-CD1 4.24Å
376	Q	89.6	Confident	91	Very high	141 Å²	141	46.5 Å²	46.5	66%	0.659	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-74.5	131.9	-178.6	-67.5	-179.1	-7.9	0	0	111.2	K378 Y379 L380	Q376-K378 PolarHBondContact O-N 2.8Å; Q376-Y379 WeakPolarHBondContact O-CA 3.49Å; Q376-Y379 WeakPolarHBondContact O-CB 3.46Å; Q376-Y379 PolarHBondContact O-N 3.33Å; Q376-L380 PolarHBondContact O-N 3.5Å
377	D	88.1	Confident	91.1	Very high	65 Å²	65	46.3 Å²	46.3	35%	0.348	23%	0.225	S	C	.	.	H	α-helix	trans	-56.5	-36.2	178.4	-58.1	-79.7	0	0	0	112.7	Y379 L380 M381	D377-Y379 VanDerWaalsContact C-N 3.26Å; D377-Y379 PolarHBondContact O-N 2.97Å; D377-L380 PolarHBondContact O-N 2.89Å; D377-M381 WeakPolarHBondContact O-CB 3.38Å; D377-M381 WeakPolarHBondContact O-CG 3.44Å; D377-M381 PolarHBondContact O-N 2.89Å
378	K	90.6	Very high	91.2	Very high	173 Å²	173	47.4 Å²	47.4	75%	0.752	23%	0.23	S	C	*	.	H	α-helix	trans	-62.1	-31	175.4	-173	174	-179	177	0	113.1	Q376 R382	Q376-K378 PolarHBondContact O-N 2.8Å; K378-R382 WeakPolarHBondContact O-CG 3.18Å
379	Y	92.1	Very high	91.2	Very high	75 Å²	75	51.9 Å²	51.9	29%	0.294	25%	0.25	S	C	.	.	H	α-helix	trans	-78.8	-44.5	172.2	174.4	-91.3	0	0	0	111	M109 L375 Q376 D377 M381 R382 L383	M109-Y379 HydrophobicContact CE-CD2 3.73Å; M109-Y379 HydrophobicContact CE-CE2 3.34Å; L375-Y379 HydrophobicContact CD1-CD1 3.75Å; L375-Y379 HydrophobicContact CD1-CE1 4.08Å; L375-Y379 HydrophobicContact CD2-CD1 4.14Å; L375-Y379 HydrophobicContact CD2-CE1 4.41Å; L375-Y379 HydrophobicContact CG-CD1 4.03Å; Q376-Y379 WeakPolarHBondContact O-CA 3.49Å; Q376-Y379 WeakPolarHBondContact O-CB 3.46Å; Q376-Y379 PolarHBondContact O-N 3.33Å; D377-Y379 VanDerWaalsContact C-N 3.26Å; D377-Y379 PolarHBondContact O-N 2.97Å; Y379-M381 PolarHBondContact O-N 2.86Å; Y379-R382 PolarHBondContact O-N 2.94Å; Y379-L383 HydrophobicContact CE1-CB 4.45Å; Y379-L383 HydrophobicContact CE1-CD2 3.98Å; Y379-L383 WeakPolarHBondContact O-CB 3.48Å; Y379-L383 PolarHBondContact O-N 3.41Å
380	L	91.9	Very high	91.4	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-43.9	179.5	-178.9	61.3	0	0	0	112.1	R201 L203 L375 Q376 D377 L383 V384	R201-L380 HydrophobicContact CG-CD2 3.92Å; L203-L380 HydrophobicContact CD2-CD1 3.58Å; L375-L380 HydrophobicContact CD2-CB 4.46Å; L375-L380 HydrophobicContact CD2-CD1 4.24Å; Q376-L380 PolarHBondContact O-N 3.5Å; D377-L380 PolarHBondContact O-N 2.89Å; L380-L383 PolarHBondContact O-N 3.47Å; L380-V384 WeakPolarHBondContact O-CB 3.36Å; L380-V384 WeakPolarHBondContact O-CG2 3.43Å; L380-V384 PolarHBondContact O-N 2.72Å
381	M	91.8	Very high	91.8	Very high	33 Å²	33	51.7 Å²	51.7	16%	0.163	25%	0.246	C	C	.	.	H	α-helix	trans	-65.2	-42.3	175.2	-66.3	-52.8	-54.2	0	0	112	L92 D377 Y379 L383 V384 N385	L92-M381 HydrophobicContact CD1-CE 4.14Å; L92-M381 HydrophobicContact CD1-SD 3.6Å; L92-M381 HydrophobicContact CD2-CE 4.1Å; L92-M381 HydrophobicContact CG-CE 4.02Å; L92-M381 HydrophobicContact CG-SD 3.94Å; D377-M381 WeakPolarHBondContact O-CB 3.38Å; D377-M381 WeakPolarHBondContact O-CG 3.44Å; D377-M381 PolarHBondContact O-N 2.89Å; Y379-M381 PolarHBondContact O-N 2.86Å; M381-L383 VanDerWaalsContact C-N 3.32Å; M381-L383 PolarHBondContact O-N 2.8Å; M381-V384 PolarHBondContact O-N 3.18Å; M381-N385 WeakPolarHBondContact O-CB 3.47Å; M381-N385 PolarHBondContact O-N 2.92Å; M381-N385 PolarHBondContact O-OD1 2.84Å
382	R	94.3	Very high	92.4	Very high	105 Å²	105	54 Å²	54	40%	0.396	26%	0.256	S	S	.	.	H	α-helix	trans	-59	-44.8	174	-79.1	179.7	64.7	-168.7	2.7	111.6	M109 K111 K378 Y379 N385 A386	M109-R382 HydrophobicContact CE-CB 3.93Å; M109-R382 VanDerWaalsContact SD-C 3.56Å; M109-R382 HydrophobicContact SD-CB 3.65Å; K111-R382 PolarHBondContact O-NH2 2.83Å; K111-R382 VanDerWaalsContact O-NH2 3.16Å; K378-R382 WeakPolarHBondContact O-CG 3.18Å; Y379-R382 PolarHBondContact O-N 2.94Å; R382-N385 PolarHBondContact O-N 3.48Å; R382-A386 WeakPolarHBondContact O-CB 3.39Å; R382-A386 PolarHBondContact O-N 3.31Å
383	L	94.9	Very high	93.3	Very high	9 Å²	9	56.6 Å²	56.6	5%	0.047	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-45.1	177.7	177.7	59.5	0	0	0	111.2	L104 M109 Y379 L380 M381 A386 M387	L104-L383 HydrophobicContact CD1-CD1 4.19Å; L104-L383 HydrophobicContact CD1-CD2 3.82Å; L104-L383 HydrophobicContact CD1-CG 3.89Å; M109-L383 HydrophobicContact CB-CD1 3.74Å; M109-L383 HydrophobicContact CE-CB 4.12Å; Y379-L383 HydrophobicContact CE1-CB 4.45Å; Y379-L383 HydrophobicContact CE1-CD2 3.98Å; Y379-L383 WeakPolarHBondContact O-CB 3.48Å; Y379-L383 PolarHBondContact O-N 3.41Å; L380-L383 PolarHBondContact O-N 3.47Å; M381-L383 VanDerWaalsContact C-N 3.32Å; M381-L383 PolarHBondContact O-N 2.8Å; L383-A386 PolarHBondContact O-N 2.92Å; L383-M387 HydrophobicContact CD1-CE 4.26Å; L383-M387 WeakPolarHBondContact O-CG 3.37Å; L383-M387 PolarHBondContact O-N 2.98Å
384	V	95.2	Very high	93.7	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.006	28%	0.281	C	S	.	.	H	α-helix	trans	-62.2	-50.4	176.9	163.8	0	0	0	0	111.6	L92 L100 L203 L380 M381 A386 M387 E388	L92-V384 HydrophobicContact CD1-CB 4.31Å; L92-V384 HydrophobicContact CD1-CG1 4.1Å; L92-V384 HydrophobicContact CD1-CG2 3.88Å; L92-V384 HydrophobicContact CD2-CG1 3.71Å; L100-V384 HydrophobicContact CD1-CG1 3.68Å; L203-V384 HydrophobicContact CD1-CG2 4.43Å; L203-V384 HydrophobicContact CD2-CG2 3.78Å; L380-V384 WeakPolarHBondContact O-CB 3.36Å; L380-V384 WeakPolarHBondContact O-CG2 3.43Å; L380-V384 PolarHBondContact O-N 2.72Å; M381-V384 PolarHBondContact O-N 3.18Å; V384-A386 PolarHBondContact O-N 2.84Å; V384-M387 CarbonylContact O-C 3.53Å; V384-M387 WeakPolarHBondContact O-CA 3.22Å; V384-M387 PolarHBondContact O-N 3.04Å; V384-E388 HydrophobicContact CG1-CG 4.29Å; V384-E388 WeakPolarHBondContact O-CG 3.32Å; V384-E388 PolarHBondContact O-N 2.86Å
385	N	94.9	Very high	94	Very high	80 Å²	80	59.2 Å²	59.2	43%	0.428	27%	0.272	S	S	.	.	H	α-helix	trans	-52.9	-42.5	175	-79.6	60.5	0	0	0	112	M381 R382 M387 E388 E389	M381-N385 WeakPolarHBondContact O-CB 3.47Å; M381-N385 PolarHBondContact O-N 2.92Å; M381-N385 PolarHBondContact O-OD1 2.84Å; R382-N385 PolarHBondContact O-N 3.48Å; N385-M387 PolarHBondContact O-N 2.99Å; N385-E388 WeakPolarHBondContact O-CB 3.49Å; N385-E388 PolarHBondContact O-N 2.73Å; N385-E389 PolarHBondContact O-N 3.18Å; N385-E389 VanDerWaalsContact O-N 3.08Å
386	A	96.6	Very high	94.3	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-65	-35.8	176.3	0	0	0	0	0	112.8	M109 A116 R382 L383 V384 V390	M109-A386 HydrophobicContact CB-CB 4.41Å; M109-A386 HydrophobicContact CG-CB 4.29Å; M109-A386 HydrophobicContact SD-CB 4.46Å; A116-A386 HydrophobicContact CB-CB 4.12Å; A116-A386 WeakPolarHBondContact CB-O 3.47Å; R382-A386 WeakPolarHBondContact O-CB 3.39Å; R382-A386 PolarHBondContact O-N 3.31Å; L383-A386 PolarHBondContact O-N 2.92Å; V384-A386 PolarHBondContact O-N 2.84Å; A386-V390 PolarHBondContact O-N 2.75Å
387	M	97.4	Very high	94.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-73.9	-30.2	173.8	-59.1	-57.7	96.2	0	0	112.4	L100 V103 L104 A116 L383 V384 N385 V390 F391	L100-M387 HydrophobicContact CB-CB 4.43Å; L100-M387 HydrophobicContact CD1-CB 4.5Å; L100-M387 HydrophobicContact CD2-CB 3.98Å; V103-M387 HydrophobicContact CG1-CB 4.35Å; V103-M387 HydrophobicContact CG1-SD 3.9Å; L104-M387 VanDerWaalsContact CA-SD 3.59Å; L104-M387 HydrophobicContact CB-CG 4.05Å; L104-M387 HydrophobicContact CB-SD 3.9Å; L104-M387 HydrophobicContact CD1-CG 4.11Å; L104-M387 HydrophobicContact CG-CG 4.48Å; L104-M387 HydrophobicContact CG-SD 4.37Å; A116-M387 HydrophobicContact CB-CE 3.71Å; L383-M387 HydrophobicContact CD1-CE 4.26Å; L383-M387 WeakPolarHBondContact O-CG 3.37Å; L383-M387 PolarHBondContact O-N 2.98Å; V384-M387 CarbonylContact O-C 3.53Å; V384-M387 WeakPolarHBondContact O-CA 3.22Å; V384-M387 PolarHBondContact O-N 3.04Å; N385-M387 PolarHBondContact O-N 2.99Å; M387-V390 PolarHBondContact O-N 3.41Å; M387-F391 WeakPolarHBondContact O-CB 3.47Å; M387-F391 PolarHBondContact O-N 2.71Å
388	E	96.6	Very high	94.9	Very high	25 Å²	25	53.4 Å²	53.4	12%	0.117	25%	0.251	C	S	.	.	H	α-helix	trans	-64.5	-39.6	172.6	-68.6	179.9	130	0	0	111.7	H96 L100 V384 N385 F391 M392 H398 P399	H96-E388 IonicContact CD2-OE1 3.22Å; H96-E388 IonicContact CE1-OE1 2.61Å; H96-E388 PolarHBondContact CE1-OE1 2.51Å; H96-E388 IonicContact NE2-OE1 3.13Å; H96-E388 PolarHBondContact NE2-OE1 2.98Å; L100-E388 HydrophobicContact CD1-CG 3.92Å; L100-E388 HydrophobicContact CD2-CG 4.22Å; V384-E388 HydrophobicContact CG1-CG 4.29Å; V384-E388 WeakPolarHBondContact O-CG 3.32Å; V384-E388 PolarHBondContact O-N 2.86Å; N385-E388 WeakPolarHBondContact O-CB 3.49Å; N385-E388 PolarHBondContact O-N 2.73Å; E388-F391 PolarHBondContact O-N 2.96Å; E388-M392 VanDerWaalsContact O-CB 3.28Å; E388-M392 WeakPolarHBondContact O-CB 3.41Å; E388-M392 PolarHBondContact O-N 3.27Å; E388-H398 IonicContact OE1-CE1 3.58Å; E388-H398 PolarHBondContact OE1-CE1 3.45Å; E388-H398 IonicContact OE1-NE2 3.92Å; E388-P399 HydrophobicContact CB-CG 4.43Å; E388-P399 HydrophobicContact CG-CG 3.91Å
389	E	96.3	Very high	95.2	Very high	113 Å²	113	45.1 Å²	45.1	53%	0.528	22%	0.215	S	C	.	.	H	α-helix	trans	-57.8	-48.8	172.5	-72.2	179.2	-175.5	0	0	111.5	N385 M392 E393	N385-E389 PolarHBondContact O-N 3.18Å; N385-E389 VanDerWaalsContact O-N 3.08Å; E389-M392 PolarHBondContact O-N 2.8Å; E389-E393 PolarHBondContact O-N 2.65Å
390	V	97.3	Very high	95.1	Very high	9 Å²	9	43 Å²	43	6%	0.055	21%	0.211	C	C	.	.	H	α-helix	trans	-69.4	-36.5	179.2	176.8	0	0	0	0	112.4	V103 Y107 A116 A386 M387 M392 E393 K394	V103-V390 HydrophobicContact CG1-CB 3.83Å; V103-V390 HydrophobicContact CG1-CG1 3.57Å; Y107-V390 HydrophobicContact CD1-CG1 4Å; Y107-V390 HydrophobicContact CD1-CG2 3.9Å; Y107-V390 HydrophobicContact CD2-CG1 4.09Å; Y107-V390 HydrophobicContact CE1-CG1 3.73Å; Y107-V390 HydrophobicContact CE1-CG2 4.05Å; Y107-V390 HydrophobicContact CE2-CG1 3.84Å; Y107-V390 HydrophobicContact CG-CG1 4.17Å; Y107-V390 HydrophobicContact CG-CG2 4.49Å; A116-V390 HydrophobicContact CB-CG2 3.32Å; A386-V390 PolarHBondContact O-N 2.75Å; M387-V390 PolarHBondContact O-N 3.41Å; V390-M392 VanDerWaalsContact C-N 3.35Å; V390-E393 PolarHBondContact O-N 3.09Å; V390-K394 VanDerWaalsContact O-CB 3.26Å; V390-K394 WeakPolarHBondContact O-CB 3.44Å; V390-K394 PolarHBondContact O-N 2.87Å
391	F	97.2	Very high	95.2	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.009	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-44.3	174.1	-170	-75	0	0	0	110.6	L99 L100 V103 M387 E388 K394 H395 I397 P399 V402 T424	L99-F391 HydrophobicContact CB-CE2 3.97Å; L99-F391 HydrophobicContact CB-CZ 4.4Å; L99-F391 HydrophobicContact CD2-CE2 4.33Å; L99-F391 HydrophobicContact CD2-CZ 4.18Å; L99-F391 WeakPolarHBondContact O-CD2 3.41Å; L99-F391 WeakPolarHBondContact O-CE2 3.18Å; L100-F391 HydrophobicContact CD2-CB 4.03Å; L100-F391 HydrophobicContact CD2-CD2 4.28Å; L100-F391 HydrophobicContact CD2-CG 4.39Å; V103-F391 HydrophobicContact CG2-CB 4.37Å; V103-F391 HydrophobicContact CG2-CD2 4.03Å; M387-F391 WeakPolarHBondContact O-CB 3.47Å; M387-F391 PolarHBondContact O-N 2.71Å; E388-F391 PolarHBondContact O-N 2.96Å; F391-K394 PolarHBondContact O-N 2.65Å; F391-H395 HydrophobicContact CD1-CB 4.37Å; F391-H395 AromaticContact CD1-CD2 3.97Å; F391-H395 AromaticContact CD2-CD2 3.88Å; F391-H395 AromaticContact CD2-NE2 3.91Å; F391-H395 HydrophobicContact CE1-CB 4.13Å; F391-H395 AromaticContact CE1-CD2 3.9Å; F391-H395 AromaticContact CE2-CD2 3.8Å; F391-H395 AromaticContact CE2-NE2 3.62Å; F391-H395 AromaticContact CG-CD2 3.96Å; F391-H395 AromaticContact CZ-CD2 3.81Å; F391-H395 WeakPolarHBondContact O-CB 3.4Å; F391-H395 PolarHBondContact O-N 2.79Å; F391-I397 VanDerWaalsContact CD1-O 3.28Å; F391-I397 WeakPolarHBondContact CD1-O 3.39Å; F391-I397 HydrophobicContact CE1-CG2 4.34Å; F391-I397 WeakPolarHBondContact CE1-O 3.45Å; F391-P399 HydrophobicContact CD1-CB 4.18Å; F391-P399 HydrophobicContact CD1-CG 4.25Å; F391-P399 HydrophobicContact CE1-CB 4.21Å; F391-P399 HydrophobicContact CG-CB 4.44Å; F391-P399 HydrophobicContact CG-CG 4.4Å; F391-P399 HydrophobicContact CZ-CB 4.49Å; F391-V402 HydrophobicContact CE1-CG2 4.32Å; F391-T424 HydrophobicContact CE1-CG2 4.2Å; F391-T424 HydrophobicContact CZ-CG2 3.77Å
392	M	95.6	Very high	95.4	Very high	54 Å²	54	41.3 Å²	41.3	27%	0.266	20%	0.203	S	C	.	.	H	α-helix	trans	-63.6	-41.2	176.4	-177.8	68.3	-152.1	0	0	112	E388 E389 V390 S396 H398 N522	E388-M392 VanDerWaalsContact O-CB 3.28Å; E388-M392 WeakPolarHBondContact O-CB 3.41Å; E388-M392 PolarHBondContact O-N 3.27Å; E389-M392 PolarHBondContact O-N 2.8Å; V390-M392 VanDerWaalsContact C-N 3.35Å; M392-S396 WeakPolarHBondContact CE-O 3.25Å; M392-S396 WeakPolarHBondContact O-CA 3.37Å; M392-S396 PolarHBondContact O-N 2.68Å; M392-H398 HydrophobicContact SD-CB 4.15Å; M392-H398 PolarHBondContact SD-N 2.65Å; M392-H398 VanDerWaalsContact SD-N 3.44Å; M392-N522 HydrophobicContact CE-CB 4.08Å; M392-N522 HydrophobicContact SD-CB 4.23Å
393	E	95.4	Very high	95.3	Very high	152 Å²	152	36.3 Å²	36.3	71%	0.71	18%	0.184	S	C	*	.	H	α-helix	trans	-61.6	-52	174.1	-178.2	177.9	-159.8	0	0	111.4	E389 V390	E389-E393 PolarHBondContact O-N 2.65Å; V390-E393 PolarHBondContact O-N 3.09Å
394	K	95	Very high	95.1	Very high	132 Å²	132	37 Å²	37	57%	0.574	19%	0.188	S	C	*	.	H	α-helix	trans	-68.4	-39.4	-174.7	-175.8	-174.3	172.3	-162.4	0	113.6	V390 F391	V390-K394 VanDerWaalsContact O-CB 3.26Å; V390-K394 WeakPolarHBondContact O-CB 3.44Å; V390-K394 PolarHBondContact O-N 2.87Å; F391-K394 PolarHBondContact O-N 2.65Å
395	H	94.3	Very high	94.9	Very high	36 Å²	36	37.1 Å²	37.1	17%	0.167	19%	0.189	C	C	.	.	H	α-helix	trans	-109.1	-7.2	-172.2	-63.6	-77.5	0	0	0	114.2	F391 I397 T424 E425 K428	F391-H395 HydrophobicContact CD1-CB 4.37Å; F391-H395 AromaticContact CD1-CD2 3.97Å; F391-H395 AromaticContact CD2-CD2 3.88Å; F391-H395 AromaticContact CD2-NE2 3.91Å; F391-H395 HydrophobicContact CE1-CB 4.13Å; F391-H395 AromaticContact CE1-CD2 3.9Å; F391-H395 AromaticContact CE2-CD2 3.8Å; F391-H395 AromaticContact CE2-NE2 3.62Å; F391-H395 AromaticContact CG-CD2 3.96Å; F391-H395 AromaticContact CZ-CD2 3.81Å; F391-H395 WeakPolarHBondContact O-CB 3.4Å; F391-H395 PolarHBondContact O-N 2.79Å; H395-I397 HydrophobicContact CB-CG2 4.05Å; H395-I397 PolarHBondContact O-N 2.77Å; H395-T424 HydrophobicContact CB-CG2 4.22Å; H395-E425 IonicContact ND1-OE1 3.56Å; H395-K428 WeakPolarHBondContact O-CD 3.33Å; H395-K428 WeakPolarHBondContact O-CE 3.36Å; H395-K428 WeakPolarHBondContact O-CG 3.18Å
396	S	94.7	Very high	94.8	Very high	78 Å²	78	34.4 Å²	34.4	55%	0.545	17%	0.173	S	C	.	.	S	Bend	trans	59.4	16.5	-175.2	-59.1	0	0	0	0	115.1	M392	M392-S396 WeakPolarHBondContact CE-O 3.25Å; M392-S396 WeakPolarHBondContact O-CA 3.37Å; M392-S396 PolarHBondContact O-N 2.68Å
397	I	95.8	Very high	94.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-141.9	142	179	-168.8	168.7	0	0	0	110.7	F391 H395 L401 V402 T424 A427 K428 V431 G521	F391-I397 VanDerWaalsContact CD1-O 3.28Å; F391-I397 WeakPolarHBondContact CD1-O 3.39Å; F391-I397 HydrophobicContact CE1-CG2 4.34Å; F391-I397 WeakPolarHBondContact CE1-O 3.45Å; H395-I397 HydrophobicContact CB-CG2 4.05Å; H395-I397 PolarHBondContact O-N 2.77Å; I397-L401 HydrophobicContact CD1-CD2 4.07Å; I397-L401 HydrophobicContact CD1-CG 4.22Å; I397-L401 HydrophobicContact CG1-CB 4.31Å; I397-L401 HydrophobicContact CG1-CD2 4.06Å; I397-L401 HydrophobicContact CG1-CG 4.38Å; I397-V402 HydrophobicContact CD1-CG2 4.14Å; I397-V402 HydrophobicContact CG1-CG2 4.23Å; I397-V402 HydrophobicContact CG2-CG2 3.93Å; I397-T424 HydrophobicContact CG2-CG2 4.29Å; I397-A427 VanDerWaalsContact CD1-C 3.5Å; I397-A427 HydrophobicContact CD1-CB 3.51Å; I397-K428 HydrophobicContact CG2-CB 4.2Å; I397-V431 HydrophobicContact CD1-CG2 3.77Å; I397-V431 HydrophobicContact CG1-CG2 4.39Å; I397-G521 CarbonylContact C-O 3.59Å; I397-G521 WeakPolarHBondContact CA-O 3.18Å
398	H	95.7	Very high	93.7	Very high	39 Å²	39	35.3 Å²	35.3	18%	0.181	18%	0.177	C	C	.	.			trans	-81	137.5	-179.2	-163.3	-94.9	0	0	0	111	E388 M392 S400 L401 V402 G521	E388-H398 IonicContact OE1-CE1 3.58Å; E388-H398 PolarHBondContact OE1-CE1 3.45Å; E388-H398 IonicContact OE1-NE2 3.92Å; M392-H398 HydrophobicContact SD-CB 4.15Å; M392-H398 PolarHBondContact SD-N 2.65Å; M392-H398 VanDerWaalsContact SD-N 3.44Å; H398-S400 PolarHBondContact ND1-N 3.28Å; H398-S400 PolarHBondContact ND1-OG 3.37Å; H398-S400 PolarHBondContact O-N 3.45Å; H398-S400 VanDerWaalsContact O-N 3.13Å; H398-L401 WeakPolarHBondContact O-CB 3.23Å; H398-L401 PolarHBondContact O-N 2.79Å; H398-V402 PolarHBondContact O-N 3.4Å; H398-G521 PolarHBondContact N-O 3.08Å
399	P	95.4	Very high	93.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-27.7	-175.1	22	-32.8	0	0	0	113.5	L99 L100 E388 F391 L401 V402 A403	L99-P399 HydrophobicContact CB-CB 4.15Å; L99-P399 HydrophobicContact CD1-CB 3.74Å; L99-P399 WeakPolarHBondContact CD1-O 3.37Å; L100-P399 HydrophobicContact CD2-CG 4.08Å; E388-P399 HydrophobicContact CB-CG 4.43Å; E388-P399 HydrophobicContact CG-CG 3.91Å; F391-P399 HydrophobicContact CD1-CB 4.18Å; F391-P399 HydrophobicContact CD1-CG 4.25Å; F391-P399 HydrophobicContact CE1-CB 4.21Å; F391-P399 HydrophobicContact CG-CB 4.44Å; F391-P399 HydrophobicContact CG-CG 4.4Å; F391-P399 HydrophobicContact CZ-CB 4.49Å; P399-L401 VanDerWaalsContact C-N 3.3Å; P399-L401 PolarHBondContact O-N 2.72Å; P399-V402 PolarHBondContact O-N 3.18Å; P399-A403 PolarHBondContact O-N 3.25Å
400	S	92	Very high	92.6	Very high	31 Å²	31	32.8 Å²	32.8	22%	0.217	17%	0.165	C	C	.	.	H	α-helix	trans	-67.1	-28	173.7	66.8	0	0	0	0	113.7	H398 D404	H398-S400 PolarHBondContact ND1-N 3.28Å; H398-S400 PolarHBondContact ND1-OG 3.37Å; H398-S400 PolarHBondContact O-N 3.45Å; H398-S400 VanDerWaalsContact O-N 3.13Å; S400-D404 PolarHBondContact O-N 2.84Å; S400-D404 VanDerWaalsContact O-N 3.14Å
401	L	93.9	Very high	91.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-77.7	-35.1	174.1	-177.3	58.4	0	0	0	111	I397 H398 P399 A403 D404 V405 V431 L436 L445 I519	I397-L401 HydrophobicContact CD1-CD2 4.07Å; I397-L401 HydrophobicContact CD1-CG 4.22Å; I397-L401 HydrophobicContact CG1-CB 4.31Å; I397-L401 HydrophobicContact CG1-CD2 4.06Å; I397-L401 HydrophobicContact CG1-CG 4.38Å; H398-L401 WeakPolarHBondContact O-CB 3.23Å; H398-L401 PolarHBondContact O-N 2.79Å; P399-L401 VanDerWaalsContact C-N 3.3Å; P399-L401 PolarHBondContact O-N 2.72Å; L401-A403 VanDerWaalsContact C-N 3.34Å; L401-D404 PolarHBondContact O-N 2.98Å; L401-V405 WeakPolarHBondContact O-CG2 3.45Å; L401-V405 PolarHBondContact O-N 2.94Å; L401-V431 HydrophobicContact CD2-CG2 3.88Å; L401-L436 HydrophobicContact CD1-CD1 4.43Å; L401-L436 HydrophobicContact CD2-CD1 4.45Å; L401-L436 HydrophobicContact CG-CD1 4.49Å; L401-L445 HydrophobicContact CD1-CD1 4.19Å; L401-L445 HydrophobicContact CD1-CD2 4.36Å; L401-I519 HydrophobicContact CD1-CD1 4.13Å; L401-I519 HydrophobicContact CD1-CG2 4.49Å; L401-I519 HydrophobicContact CD2-CG2 4.36Å
402	V	95.4	Very high	90.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-43.4	170.4	-176.8	0	0	0	0	110.6	L99 F391 I397 H398 P399 D404 V405 H406 V423 T424 A427	L99-V402 HydrophobicContact CD1-CB 3.93Å; L99-V402 HydrophobicContact CD1-CG1 4.01Å; L99-V402 HydrophobicContact CD2-CG1 3.97Å; F391-V402 HydrophobicContact CE1-CG2 4.32Å; I397-V402 HydrophobicContact CD1-CG2 4.14Å; I397-V402 HydrophobicContact CG1-CG2 4.23Å; I397-V402 HydrophobicContact CG2-CG2 3.93Å; H398-V402 PolarHBondContact O-N 3.4Å; P399-V402 PolarHBondContact O-N 3.18Å; V402-D404 VanDerWaalsContact C-N 3.34Å; V402-D404 PolarHBondContact O-N 2.82Å; V402-V405 PolarHBondContact O-N 3.49Å; V402-H406 PolarHBondContact O-N 2.97Å; V402-V423 HydrophobicContact CG1-CB 4.29Å; V402-V423 HydrophobicContact CG1-CG1 3.92Å; V402-T424 HydrophobicContact CG2-CG2 4.39Å; V402-A427 HydrophobicContact CG2-CB 4.31Å
403	A	92.3	Very high	88.5	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-62.5	-36	174.6	0	0	0	0	0	113.3	L86 Y95 P399 L401 Q407	L86-A403 HydrophobicContact CD2-CB 3.87Å; Y95-A403 HydrophobicContact CD1-CB 3.92Å; Y95-A403 HydrophobicContact CE1-CB 4.32Å; P399-A403 PolarHBondContact O-N 3.25Å; L401-A403 VanDerWaalsContact C-N 3.34Å; A403-Q407 PolarHBondContact O-N 2.68Å; A403-Q407 VanDerWaalsContact O-N 3.11Å
404	D	90.3	Very high	86.9	Confident	23 Å²	23	42 Å²	42	12%	0.123	22%	0.217	C	C	.	.	H	α-helix	trans	-69.4	-38.5	171.8	-81.4	-20	0	0	0	112	S400 L401 V402 H406 Q407 Y408 R438 L445	S400-D404 PolarHBondContact O-N 2.84Å; S400-D404 VanDerWaalsContact O-N 3.14Å; L401-D404 PolarHBondContact O-N 2.98Å; V402-D404 VanDerWaalsContact C-N 3.34Å; V402-D404 PolarHBondContact O-N 2.82Å; D404-H406 VanDerWaalsContact C-N 3.34Å; D404-H406 PolarHBondContact O-N 3.26Å; D404-Q407 PolarHBondContact O-N 2.62Å; D404-Y408 HydrophobicContact CB-CD2 4.09Å; D404-Y408 HydrophobicContact CB-CE2 4.33Å; D404-Y408 WeakPolarHBondContact O-CB 3.13Å; D404-Y408 VanDerWaalsContact O-CD2 3.22Å; D404-Y408 WeakPolarHBondContact O-CD2 3.45Å; D404-Y408 PolarHBondContact O-N 3.34Å; D404-R438 IonicContact OD2-CZ 2.71Å; D404-R438 IonicContact OD2-NH1 3.78Å; D404-R438 PolarHBondContact OD2-NH1 2.79Å; D404-R438 IonicContact OD2-NH2 3.78Å; D404-R438 PolarHBondContact OD2-NH2 3.27Å; D404-L445 HydrophobicContact CB-CB 4.49Å; D404-L445 HydrophobicContact CB-CD2 4.1Å
405	V	91.9	Very high	85.2	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.024	21%	0.214	C	C	.	.	H	α-helix	trans	-62.3	-41.4	173.3	170.7	0	0	0	0	111.1	L401 V402 Q407 V409 Y410 V423 A427 L436 L445	L401-V405 WeakPolarHBondContact O-CG2 3.45Å; L401-V405 PolarHBondContact O-N 2.94Å; V402-V405 PolarHBondContact O-N 3.49Å; V405-Q407 PolarHBondContact O-N 3.36Å; V405-V409 HydrophobicContact CG1-CB 4.21Å; V405-V409 HydrophobicContact CG1-CG2 4.2Å; V405-V409 WeakPolarHBondContact O-CA 3.38Å; V405-V409 VanDerWaalsContact O-CB 3.3Å; V405-V409 WeakPolarHBondContact O-CB 3.27Å; V405-V409 PolarHBondContact O-N 3.14Å; V405-Y410 HydrophobicContact CG1-CD2 4.01Å; V405-Y410 HydrophobicContact CG1-CE2 4.05Å; V405-Y410 PolarHBondContact O-N 3.49Å; V405-V423 HydrophobicContact CB-CG1 4.38Å; V405-V423 HydrophobicContact CG1-CG1 4.01Å; V405-A427 HydrophobicContact CB-CB 3.95Å; V405-A427 HydrophobicContact CG1-CB 3.99Å; V405-A427 HydrophobicContact CG2-CB 3.7Å; V405-L436 HydrophobicContact CG2-CD1 3.8Å; V405-L436 HydrophobicContact CG2-CD2 4.35Å; V405-L445 HydrophobicContact CB-CD2 4.26Å; V405-L445 HydrophobicContact CG2-CD2 3.45Å; V405-L445 VanDerWaalsContact CG2-CD2 3.45Å
406	H	90.8	Very high	83.5	Confident	23 Å²	23	45.7 Å²	45.7	11%	0.106	25%	0.246	C	C	.	.	I	π-helix	trans	-56.6	-49.2	172.3	-176.9	-117.4	0	0	0	111.7	E85 Y95 V402 D404 Y410 R411 V423	E85-H406 IonicContact OE1-CE1 2.68Å; Y95-H406 AromaticContact CD2-ND1 3.82Å; Y95-H406 HydrophobicContact CE1-CB 3.93Å; Y95-H406 HydrophobicContact CE2-CB 4.27Å; Y95-H406 AromaticContact CE2-CD2 3.88Å; Y95-H406 AromaticContact CE2-CE1 3.85Å; Y95-H406 AromaticContact CE2-CG 3.67Å; Y95-H406 AromaticContact CE2-ND1 3.65Å; Y95-H406 AromaticContact CZ-CG 3.64Å; V402-H406 PolarHBondContact O-N 2.97Å; D404-H406 VanDerWaalsContact C-N 3.34Å; D404-H406 PolarHBondContact O-N 3.26Å; H406-Y410 PolarHBondContact O-N 3.04Å; H406-R411 PolarHBondContact O-N 3.37Å; H406-V423 HydrophobicContact CB-CG1 4.14Å
407	Q	86.2	Confident	82.2	Confident	5 Å²	5	45.2 Å²	45.2	2%	0.023	25%	0.253	C	S	.	.	I	π-helix	trans	-69.3	-44.2	-176.5	-175.4	56.7	13.1	0	0	114.1	P80 K81 L86 A403 D404 V405	P80-Q407 HydrophobicContact CG-CG 4.32Å; P80-Q407 PolarHBondContact O-NE2 3.48Å; K81-Q407 PolarHBondContact O-NE2 2.7Å; L86-Q407 HydrophobicContact CD1-CB 3.77Å; L86-Q407 HydrophobicContact CD1-CG 4.26Å; A403-Q407 PolarHBondContact O-N 2.68Å; A403-Q407 VanDerWaalsContact O-N 3.11Å; D404-Q407 PolarHBondContact O-N 2.62Å; V405-Q407 PolarHBondContact O-N 3.36Å
408	Y	85.5	Confident	81.4	Confident	15 Å²	15	46.1 Å²	46.1	6%	0.059	26%	0.259	C	S	.	.	I	π-helix	trans	-101.3	-19.9	-167.7	-66.7	-70.5	0	0	0	114.3	A79 P80 D404 A444 L445 W510	A79-Y408 HydrophobicContact CB-CE1 4.04Å; P80-Y408 HydrophobicContact CG-CD1 4.14Å; P80-Y408 HydrophobicContact CG-CE1 4.42Å; D404-Y408 HydrophobicContact CB-CD2 4.09Å; D404-Y408 HydrophobicContact CB-CE2 4.33Å; D404-Y408 WeakPolarHBondContact O-CB 3.13Å; D404-Y408 VanDerWaalsContact O-CD2 3.22Å; D404-Y408 WeakPolarHBondContact O-CD2 3.45Å; D404-Y408 PolarHBondContact O-N 3.34Å; Y408-A444 HydrophobicContact CD1-CB 3.85Å; Y408-A444 HydrophobicContact CE1-CB 3.48Å; Y408-A444 VanDerWaalsContact CE1-CB 3.48Å; Y408-L445 WeakPolarHBondContact CB-O 3.29Å; Y408-L445 HydrophobicContact CD2-CB 3.55Å; Y408-L445 HydrophobicContact CE2-CB 4.36Å; Y408-L445 HydrophobicContact CG-CB 3.89Å; Y408-W510 AromaticContact CD1-CE2 3.93Å; Y408-W510 HydrophobicContact CD1-CZ2 4.31Å; Y408-W510 AromaticContact CD1-NE1 3.6Å; Y408-W510 WeakPolarHBondContact O-CZ2 3.36Å
409	V	85.6	Confident	80.8	Confident	30 Å²	30	47.9 Å²	47.9	18%	0.182	27%	0.267	C	S	.	.	I	π-helix	trans	-105.5	-62.3	176.6	-171.8	0	0	0	0	109.9	V405 R412 E447	V405-V409 HydrophobicContact CG1-CB 4.21Å; V405-V409 HydrophobicContact CG1-CG2 4.2Å; V405-V409 WeakPolarHBondContact O-CA 3.38Å; V405-V409 VanDerWaalsContact O-CB 3.3Å; V405-V409 WeakPolarHBondContact O-CB 3.27Å; V405-V409 PolarHBondContact O-N 3.14Å; V409-R412 WeakPolarHBondContact O-CB 3.45Å; V409-R412 PolarHBondContact O-N 3.42Å; V409-E447 HydrophobicContact CG2-CB 4.35Å
410	Y	83.7	Confident	80.5	Confident	55 Å²	55	48.7 Å²	48.7	22%	0.216	27%	0.272	C	S	.	.	I	π-helix	trans	-71.7	-49.8	-172.2	-80.2	-90.3	0	0	0	113.9	V405 H406 R412 T413 V418 V423 A426	V405-Y410 HydrophobicContact CG1-CD2 4.01Å; V405-Y410 HydrophobicContact CG1-CE2 4.05Å; V405-Y410 PolarHBondContact O-N 3.49Å; H406-Y410 PolarHBondContact O-N 3.04Å; Y410-R412 PolarHBondContact O-N 3.05Å; Y410-T413 PolarHBondContact O-N 3.23Å; Y410-T413 PolarHBondContact O-OG1 2.67Å; Y410-V418 HydrophobicContact CD1-CB 4.44Å; Y410-V418 HydrophobicContact CD1-CG1 4.02Å; Y410-V418 HydrophobicContact CD1-CG2 3.92Å; Y410-V418 HydrophobicContact CE1-CG1 3.88Å; Y410-V418 HydrophobicContact CE1-CG2 4.41Å; Y410-V423 HydrophobicContact CD2-CG1 4.01Å; Y410-V423 HydrophobicContact CD2-CG2 4.17Å; Y410-V423 HydrophobicContact CE2-CB 4.43Å; Y410-V423 HydrophobicContact CE2-CG1 4.08Å; Y410-V423 HydrophobicContact CE2-CG2 4.22Å; Y410-V423 HydrophobicContact CG-CG2 4.39Å; Y410-A426 HydrophobicContact CE2-CB 4.15Å; Y410-A426 WeakPolarHBondContact OH-CB 3.35Å
411	R	76.1	Confident	80.4	Confident	108 Å²	108	50.7 Å²	50.7	41%	0.408	28%	0.278	S	S	.	.	H	α-helix	trans	-58.4	-21.7	177.4	-106.1	178.5	175	-82	1.8	113.5	G83 E85 H406	G83-R411 VanDerWaalsContact CA-NH2 3.3Å; E85-R411 VanDerWaalsContact CD-NH2 3.28Å; E85-R411 IonicContact OE1-CZ 3.03Å; E85-R411 IonicContact OE1-NE 3.41Å; E85-R411 PolarHBondContact OE1-NE 3.14Å; E85-R411 IonicContact OE1-NH2 3.83Å; E85-R411 PolarHBondContact OE1-NH2 3.36Å; E85-R411 IonicContact OE2-CZ 3.73Å; E85-R411 IonicContact OE2-NH2 2.74Å; E85-R411 PolarHBondContact OE2-NH2 3.37Å; H406-R411 PolarHBondContact O-N 3.37Å
412	R	67.1	Low	80.2	Confident	151 Å²	151	56.2 Å²	56.2	57%	0.57	30%	0.304	S	S	*	.	H	α-helix	trans	-74.3	-31	175	-171.6	-175	179.4	-162.9	1.4	113.1	V409 Y410 G414 W510	V409-R412 WeakPolarHBondContact O-CB 3.45Å; V409-R412 PolarHBondContact O-N 3.42Å; Y410-R412 PolarHBondContact O-N 3.05Å; R412-G414 VanDerWaalsContact C-N 3.26Å; R412-G414 PolarHBondContact O-N 2.63Å; R412-W510 HydrophobicContact CB-CH2 4.11Å; R412-W510 HydrophobicContact CB-CZ2 4.13Å; R412-W510 HydrophobicContact CG-CH2 3.92Å; R412-W510 HydrophobicContact CG-CZ2 4.14Å
413	T	62.3	Low	80.1	Confident	93 Å²	93	56.2 Å²	56.2	57%	0.571	30%	0.304	S	S	*	.	H	α-helix	trans	-80.4	-6.4	-179.8	61.1	0	0	0	0	113.3	Y410 V415	Y410-T413 PolarHBondContact O-N 3.23Å; Y410-T413 PolarHBondContact O-OG1 2.67Å; T413-V415 PolarHBondContact O-N 3.05Å; T413-V415 WeakPolarHBondContact OG1-CG2 3.25Å
414	G	60.5	Low	80.2	Confident	57 Å²	57	56.3 Å²	56.3	59%	0.588	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	5.3	-179.9	0	0	0	0	0	114.4	R412	R412-G414 VanDerWaalsContact C-N 3.26Å; R412-G414 PolarHBondContact O-N 2.63Å
415	V	59.6	Low	80.4	Confident	83 Å²	83	59.3 Å²	59.3	50%	0.503	32%	0.318	S	S	.	.			trans	-73.7	127.9	174.7	-170.9	0	0	0	0	109.2	T413 V418	T413-V415 PolarHBondContact O-N 3.05Å; T413-V415 WeakPolarHBondContact OG1-CG2 3.25Å; V415-V418 HydrophobicContact CB-CG2 3.97Å; V415-V418 HydrophobicContact CG1-CG2 3.41Å; V415-V418 VanDerWaalsContact CG1-CG2 3.41Å
416	I	59.5	Low	80.5	Confident	164 Å²	164	60.4 Å²	60.4	84%	0.841	33%	0.327	S	S	*	.			trans	-115.9	140.1	-178.6	-60.7	172.3	0	0	0	107.8
417	G	67.1	Low	80.6	Confident	67 Å²	67	59.3 Å²	59.3	69%	0.691	32%	0.322	S	S	*	.	S	Bend	trans	84.1	17.7	177.4	0	0	0	0	0	115.5
418	V	79.4	Confident	81	Confident	20 Å²	20	61.8 Å²	61.8	12%	0.121	33%	0.332	C	S	.	.			trans	-63.8	131.9	173.6	-170.6	0	0	0	0	110	Y410 V415 E422 V423	Y410-V418 HydrophobicContact CD1-CB 4.44Å; Y410-V418 HydrophobicContact CD1-CG1 4.02Å; Y410-V418 HydrophobicContact CD1-CG2 3.92Å; Y410-V418 HydrophobicContact CE1-CG1 3.88Å; Y410-V418 HydrophobicContact CE1-CG2 4.41Å; V415-V418 HydrophobicContact CB-CG2 3.97Å; V415-V418 HydrophobicContact CG1-CG2 3.41Å; V415-V418 VanDerWaalsContact CG1-CG2 3.41Å; V418-E422 HydrophobicContact CG1-CB 4.11Å; V418-E422 WeakPolarHBondContact CG1-OE2 3.14Å; V418-V423 HydrophobicContact CB-CG2 4.25Å; V418-V423 HydrophobicContact CG1-CG2 3.59Å
419	Q	82.9	Confident	81.4	Confident	75 Å²	75	66.6 Å²	66.6	35%	0.35	35%	0.354	S	S	.	.			trans	-72.6	143.1	-177.4	-64.7	-63.9	-5.4	0	0	111.9	E421 E422 V423	Q419-E421 PolarHBondContact O-N 3.4Å; Q419-E421 VanDerWaalsContact O-N 3.15Å; Q419-E422 HydrophobicContact CB-CG 4.23Å; Q419-E422 WeakPolarHBondContact O-CB 3.29Å; Q419-E422 PolarHBondContact O-N 2.94Å; Q419-E422 VanDerWaalsContact O-N 3.08Å; Q419-V423 PolarHBondContact O-N 2.89Å
420	P	89.1	Confident	81.7	Confident	18 Å²	18	65.3 Å²	65.3	12%	0.117	35%	0.346	C	S	.	.	H	α-helix	trans	-56	-31.9	-179.7	-24.9	34.3	0	0	0	113.9	L99 T424	L99-P420 HydrophobicContact CD2-CB 3.77Å; P420-T424 WeakPolarHBondContact O-CB 3.42Å; P420-T424 PolarHBondContact O-N 2.62Å; P420-T424 PolarHBondContact O-OG1 2.73Å
421	E	89.4	Confident	82.1	Confident	73 Å²	73	63.8 Å²	63.8	34%	0.341	34%	0.343	S	S	.	.	H	α-helix	trans	-65.4	-43.6	176.9	-71	62.5	-143.7	0	0	111.9	Q419 T424 E425	Q419-E421 PolarHBondContact O-N 3.4Å; Q419-E421 VanDerWaalsContact O-N 3.15Å; E421-T424 WeakPolarHBondContact O-CB 3.33Å; E421-T424 PolarHBondContact O-N 2.94Å; E421-E425 PolarHBondContact O-N 2.91Å
422	E	90.2	Very high	82.8	Confident	116 Å²	116	64.1 Å²	64.1	54%	0.542	36%	0.356	S	S	.	.	H	α-helix	trans	-63.8	-45.1	177	-65.3	175.7	-176.6	0	0	110.8	V418 Q419 T424 A426	V418-E422 HydrophobicContact CG1-CB 4.11Å; V418-E422 WeakPolarHBondContact CG1-OE2 3.14Å; Q419-E422 HydrophobicContact CB-CG 4.23Å; Q419-E422 WeakPolarHBondContact O-CB 3.29Å; Q419-E422 PolarHBondContact O-N 2.94Å; Q419-E422 VanDerWaalsContact O-N 3.08Å; E422-T424 VanDerWaalsContact C-N 3.29Å; E422-T424 PolarHBondContact O-N 2.92Å; E422-A426 VanDerWaalsContact O-CB 3.22Å; E422-A426 WeakPolarHBondContact O-CB 3.46Å; E422-A426 PolarHBondContact O-N 2.87Å
423	V	92.8	Very high	83.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.4	-35.7	175.5	-172.7	0	0	0	0	110.9	Y95 V402 V405 H406 Y410 V418 Q419 A427	Y95-V423 WeakPolarHBondContact OH-CB 3.1Å; V402-V423 HydrophobicContact CG1-CB 4.29Å; V402-V423 HydrophobicContact CG1-CG1 3.92Å; V405-V423 HydrophobicContact CB-CG1 4.38Å; V405-V423 HydrophobicContact CG1-CG1 4.01Å; H406-V423 HydrophobicContact CB-CG1 4.14Å; Y410-V423 HydrophobicContact CD2-CG1 4.01Å; Y410-V423 HydrophobicContact CD2-CG2 4.17Å; Y410-V423 HydrophobicContact CE2-CB 4.43Å; Y410-V423 HydrophobicContact CE2-CG1 4.08Å; Y410-V423 HydrophobicContact CE2-CG2 4.22Å; Y410-V423 HydrophobicContact CG-CG2 4.39Å; V418-V423 HydrophobicContact CB-CG2 4.25Å; V418-V423 HydrophobicContact CG1-CG2 3.59Å; Q419-V423 PolarHBondContact O-N 2.89Å; V423-A427 WeakPolarHBondContact O-CB 3.39Å; V423-A427 PolarHBondContact O-N 2.96Å
424	T	95.1	Very high	85.2	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.012	33%	0.331	C	S	.	.	H	α-helix	trans	-64.5	-51.9	177.7	-61.6	0	0	0	0	111.5	F391 H395 I397 V402 P420 E421 E422 A427 K428	F391-T424 HydrophobicContact CE1-CG2 4.2Å; F391-T424 HydrophobicContact CZ-CG2 3.77Å; H395-T424 HydrophobicContact CB-CG2 4.22Å; I397-T424 HydrophobicContact CG2-CG2 4.29Å; V402-T424 HydrophobicContact CG2-CG2 4.39Å; P420-T424 WeakPolarHBondContact O-CB 3.42Å; P420-T424 PolarHBondContact O-N 2.62Å; P420-T424 PolarHBondContact O-OG1 2.73Å; E421-T424 WeakPolarHBondContact O-CB 3.33Å; E421-T424 PolarHBondContact O-N 2.94Å; E422-T424 VanDerWaalsContact C-N 3.29Å; E422-T424 PolarHBondContact O-N 2.92Å; T424-A427 PolarHBondContact O-N 3.29Å; T424-K428 WeakPolarHBondContact O-CB 3.28Å; T424-K428 PolarHBondContact O-N 3.14Å
425	E	94.6	Very high	86.7	Confident	87 Å²	87	57.3 Å²	57.3	41%	0.407	31%	0.31	S	S	.	.	H	α-helix	trans	-69.7	-33.9	179.9	-70.6	-62.2	126.9	0	0	112.2	H395 E421 K428 K429	H395-E425 IonicContact ND1-OE1 3.56Å; E421-E425 PolarHBondContact O-N 2.91Å; E425-K428 WeakPolarHBondContact OE1-CD 3.42Å; E425-K428 IonicContact OE1-NZ 3.32Å; E425-K428 PolarHBondContact OE1-NZ 2.86Å; E425-K428 WeakPolarHBondContact OE2-CD 3.32Å; E425-K428 IonicContact OE2-NZ 3.85Å; E425-K428 PolarHBondContact OE2-NZ 2.99Å; E425-K429 WeakPolarHBondContact O-CB 3.48Å; E425-K429 PolarHBondContact O-N 3.19Å
426	A	92.4	Very high	88.3	Confident	26 Å²	26	53.4 Å²	53.4	22%	0.215	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-48	171.5	0	0	0	0	0	112.1	Y410 E422 K428 K429 S430	Y410-A426 HydrophobicContact CE2-CB 4.15Å; Y410-A426 WeakPolarHBondContact OH-CB 3.35Å; E422-A426 VanDerWaalsContact O-CB 3.22Å; E422-A426 WeakPolarHBondContact O-CB 3.46Å; E422-A426 PolarHBondContact O-N 2.87Å; A426-K428 PolarHBondContact O-N 2.95Å; A426-K429 WeakPolarHBondContact O-CB 2.89Å; A426-K429 PolarHBondContact O-N 3.03Å; A426-S430 PolarHBondContact O-N 3.43Å; A426-S430 PolarHBondContact O-OG 2.68Å; A426-S430 VanDerWaalsContact O-OG 3.11Å
427	A	94.4	Very high	89.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-45.4	177.5	0	0	0	0	0	111.7	I397 V402 V405 V423 T424 S430 V431	I397-A427 VanDerWaalsContact CD1-C 3.5Å; I397-A427 HydrophobicContact CD1-CB 3.51Å; V402-A427 HydrophobicContact CG2-CB 4.31Å; V405-A427 HydrophobicContact CB-CB 3.95Å; V405-A427 HydrophobicContact CG1-CB 3.99Å; V405-A427 HydrophobicContact CG2-CB 3.7Å; V423-A427 WeakPolarHBondContact O-CB 3.39Å; V423-A427 PolarHBondContact O-N 2.96Å; T424-A427 PolarHBondContact O-N 3.29Å; A427-S430 PolarHBondContact O-N 3.06Å; A427-V431 WeakPolarHBondContact O-CG2 3.28Å; A427-V431 PolarHBondContact O-N 2.64Å
428	K	94.8	Very high	91	Very high	57 Å²	57	44 Å²	44	25%	0.248	22%	0.219	C	C	.	.	H	α-helix	trans	-58.2	-45.9	174.6	176.2	-170.7	179.2	-167.1	0	111.8	H395 I397 T424 E425 A426 V431 V432	H395-K428 WeakPolarHBondContact O-CD 3.33Å; H395-K428 WeakPolarHBondContact O-CE 3.36Å; H395-K428 WeakPolarHBondContact O-CG 3.18Å; I397-K428 HydrophobicContact CG2-CB 4.2Å; T424-K428 WeakPolarHBondContact O-CB 3.28Å; T424-K428 PolarHBondContact O-N 3.14Å; E425-K428 WeakPolarHBondContact OE1-CD 3.42Å; E425-K428 IonicContact OE1-NZ 3.32Å; E425-K428 PolarHBondContact OE1-NZ 2.86Å; E425-K428 WeakPolarHBondContact OE2-CD 3.32Å; E425-K428 IonicContact OE2-NZ 3.85Å; E425-K428 PolarHBondContact OE2-NZ 2.99Å; A426-K428 PolarHBondContact O-N 2.95Å; K428-V431 PolarHBondContact O-N 3.14Å; K428-V432 WeakPolarHBondContact O-CG2 3.34Å; K428-V432 PolarHBondContact O-N 2.67Å
429	K	92.9	Very high	91.3	Very high	116 Å²	116	43 Å²	43	50%	0.504	21%	0.213	S	C	.	.	H	α-helix	trans	-58.4	-48	173.3	-179.2	175.7	179	176.5	0	111.4	E425 A426 V431 V432 E433	E425-K429 WeakPolarHBondContact O-CB 3.48Å; E425-K429 PolarHBondContact O-N 3.19Å; A426-K429 WeakPolarHBondContact O-CB 2.89Å; A426-K429 PolarHBondContact O-N 3.03Å; K429-V431 VanDerWaalsContact C-N 3.27Å; K429-V431 PolarHBondContact O-N 2.98Å; K429-V432 PolarHBondContact O-N 3.23Å; K429-E433 WeakPolarHBondContact CE-OE1 3.3Å; K429-E433 HydrophobicContact CG-CG 4.38Å; K429-E433 IonicContact NZ-OE1 3.79Å; K429-E433 WeakPolarHBondContact O-CB 3.02Å; K429-E433 WeakPolarHBondContact O-CG 2.85Å; K429-E433 PolarHBondContact O-N 2.92Å
430	S	92.8	Very high	91.3	Very high	4 Å²	4	40 Å²	40	3%	0.028	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-25.9	179	-57.9	0	0	0	0	114.1	A426 A427 N434 R435 E447	A426-S430 PolarHBondContact O-N 3.43Å; A426-S430 PolarHBondContact O-OG 2.68Å; A426-S430 VanDerWaalsContact O-OG 3.11Å; A427-S430 PolarHBondContact O-N 3.06Å; S430-N434 PolarHBondContact O-N 2.86Å; S430-R435 PolarHBondContact O-N 2.92Å; S430-R435 PolarHBondContact OG-NH2 3.37Å; S430-R435 VanDerWaalsContact OG-NH2 3.14Å; S430-E447 VanDerWaalsContact CB-OE1 3.22Å; S430-E447 WeakPolarHBondContact CB-OE1 3.27Å; S430-E447 PolarHBondContact OG-OE1 3.22Å
431	V	91.8	Very high	90.5	Very high	23 Å²	23	41 Å²	41	14%	0.139	20%	0.203	C	C	.	.	H	α-helix	trans	-71.3	-49.8	169	168.4	0	0	0	0	111.1	I397 L401 A427 K428 K429 E433 N434 L436	I397-V431 HydrophobicContact CD1-CG2 3.77Å; I397-V431 HydrophobicContact CG1-CG2 4.39Å; L401-V431 HydrophobicContact CD2-CG2 3.88Å; A427-V431 WeakPolarHBondContact O-CG2 3.28Å; A427-V431 PolarHBondContact O-N 2.64Å; K428-V431 PolarHBondContact O-N 3.14Å; K429-V431 VanDerWaalsContact C-N 3.27Å; K429-V431 PolarHBondContact O-N 2.98Å; V431-E433 VanDerWaalsContact C-N 3.27Å; V431-E433 PolarHBondContact O-N 3.47Å; V431-N434 WeakPolarHBondContact O-CA 3.39Å; V431-N434 PolarHBondContact O-N 3.39Å; V431-L436 HydrophobicContact CG2-CD1 3.8Å
432	V	90.8	Very high	89.7	Confident	114 Å²	114	38.3 Å²	38.3	69%	0.691	19%	0.193	S	C	*	.	H	α-helix	trans	-61.8	-38.1	179.3	172.8	0	0	0	0	111.2	K428 K429 N434	K428-V432 WeakPolarHBondContact O-CG2 3.34Å; K428-V432 PolarHBondContact O-N 2.67Å; K429-V432 PolarHBondContact O-N 3.23Å; V432-N434 PolarHBondContact O-N 2.94Å; V432-N434 PolarHBondContact O-ND2 3.27Å; V432-N434 VanDerWaalsContact O-ND2 3.12Å
433	E	89.7	Confident	89.2	Confident	60 Å²	60	34.2 Å²	34.2	28%	0.28	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	6.5	173.3	-67	180	-177.1	0	0	113.3	K429 V431 R435 Y500	K429-E433 WeakPolarHBondContact CE-OE1 3.3Å; K429-E433 HydrophobicContact CG-CG 4.38Å; K429-E433 IonicContact NZ-OE1 3.79Å; K429-E433 WeakPolarHBondContact O-CB 3.02Å; K429-E433 WeakPolarHBondContact O-CG 2.85Å; K429-E433 PolarHBondContact O-N 2.92Å; V431-E433 VanDerWaalsContact C-N 3.27Å; V431-E433 PolarHBondContact O-N 3.47Å; E433-R435 HydrophobicContact CB-CG 3.7Å; E433-R435 WeakPolarHBondContact O-CG 3.3Å; E433-R435 PolarHBondContact O-N 2.92Å; E433-R435 WeakPolarHBondContact OE2-CD 3.25Å; E433-R435 IonicContact OE2-CZ 3.64Å; E433-R435 IonicContact OE2-NE 2.7Å; E433-R435 IonicContact OE2-NH1 2.61Å; E433-R435 PolarHBondContact OE2-NH1 2.93Å; E433-Y500 HydrophobicContact CB-CD2 4.16Å; E433-Y500 WeakPolarHBondContact O-CB 3.1Å; E433-Y500 WeakPolarHBondContact O-CD2 3.45Å
434	N	89.9	Confident	88.7	Confident	64 Å²	64	34.2 Å²	34.2	34%	0.342	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	14.6	177.6	-60	-90.5	0	0	0	116.2	S430 V431 V432 L436 H518	S430-N434 PolarHBondContact O-N 2.86Å; V431-N434 WeakPolarHBondContact O-CA 3.39Å; V431-N434 PolarHBondContact O-N 3.39Å; V432-N434 PolarHBondContact O-N 2.94Å; V432-N434 PolarHBondContact O-ND2 3.27Å; V432-N434 VanDerWaalsContact O-ND2 3.12Å; N434-L436 VanDerWaalsContact C-N 3.33Å; N434-L436 PolarHBondContact O-N 2.97Å; N434-H518 PolarHBondContact O-ND1 2.85Å
435	R	91.4	Very high	88.5	Confident	35 Å²	35	34.1 Å²	34.1	13%	0.132	18%	0.181	C	C	.	.			trans	-72.8	-21.9	-173.5	-46.7	-166.4	-53.6	-154.3	14.6	113.6	S430 E433 H437 E447 L448 Y500	S430-R435 PolarHBondContact O-N 2.92Å; S430-R435 PolarHBondContact OG-NH2 3.37Å; S430-R435 VanDerWaalsContact OG-NH2 3.14Å; E433-R435 HydrophobicContact CB-CG 3.7Å; E433-R435 WeakPolarHBondContact O-CG 3.3Å; E433-R435 PolarHBondContact O-N 2.92Å; E433-R435 WeakPolarHBondContact OE2-CD 3.25Å; E433-R435 IonicContact OE2-CZ 3.64Å; E433-R435 IonicContact OE2-NE 2.7Å; E433-R435 IonicContact OE2-NH1 2.61Å; E433-R435 PolarHBondContact OE2-NH1 2.93Å; R435-H437 PolarHBondContact O-ND1 3.11Å; R435-E447 HydrophobicContact CB-CG 3.89Å; R435-E447 IonicContact CZ-OE1 2.79Å; R435-E447 VanDerWaalsContact CZ-OE1 3.26Å; R435-E447 IonicContact NE-OE1 3.16Å; R435-E447 PolarHBondContact NE-OE1 3.46Å; R435-E447 IonicContact NH2-OE1 2.79Å; R435-E447 PolarHBondContact NH2-OE1 3.38Å; R435-E447 IonicContact NH2-OE2 3.9Å; R435-E447 WeakPolarHBondContact O-CA 3.33Å; R435-L448 PolarHBondContact O-N 2.7Å; R435-Y500 VanDerWaalsContact CD-CZ 3.5Å; R435-Y500 HydrophobicContact CG-CD1 4.06Å; R435-Y500 HydrophobicContact CG-CD2 3.98Å; R435-Y500 HydrophobicContact CG-CE1 4.05Å; R435-Y500 HydrophobicContact CG-CE2 3.97Å; R435-Y500 HydrophobicContact CG-CG 4.02Å
436	L	93.3	Very high	88.3	Confident	1 Å²	1	30 Å²	30	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	125.8	-174.4	-63.7	-169.6	0	0	0	113.1	L401 V405 V431 N434 L445 E447 H518 I519	L401-L436 HydrophobicContact CD1-CD1 4.43Å; L401-L436 HydrophobicContact CD2-CD1 4.45Å; L401-L436 HydrophobicContact CG-CD1 4.49Å; V405-L436 HydrophobicContact CG2-CD1 3.8Å; V405-L436 HydrophobicContact CG2-CD2 4.35Å; V431-L436 HydrophobicContact CG2-CD1 3.8Å; N434-L436 VanDerWaalsContact C-N 3.33Å; N434-L436 PolarHBondContact O-N 2.97Å; L436-L445 HydrophobicContact CB-CD1 4.22Å; L436-L445 HydrophobicContact CD2-CD2 4.38Å; L436-E447 HydrophobicContact CD2-CB 4.13Å; L436-E447 HydrophobicContact CD2-CG 4.23Å; L436-H518 WeakPolarHBondContact O-CA 3.41Å; L436-I519 PolarHBondContact O-N 3.12Å; L436-I519 VanDerWaalsContact O-N 3.08Å
437	H	92.5	Very high	88.2	Confident	5 Å²	5	30.1 Å²	30.1	2%	0.023	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.6	-178.7	-62.5	70.3	0	0	0	111.5	R435 S446 L505 V516 R517 H518	R435-H437 PolarHBondContact O-ND1 3.11Å; H437-S446 PolarHBondContact N-O 3.14Å; H437-S446 PolarHBondContact O-N 2.54Å; H437-L505 HydrophobicContact CB-CD2 4.02Å; H437-V516 HydrophobicContact CB-CB 4.44Å; H437-R517 CarbonylContact C-O 3.57Å; H437-R517 WeakPolarHBondContact CA-O 3.42Å; H437-H518 AromaticContact CE1-CE1 3.65Å; H437-H518 AromaticContact CE1-ND1 3.66Å; H437-H518 AromaticContact NE2-CE1 3.28Å; H437-H518 PolarHBondContact NE2-CE1 3.41Å; H437-H518 VanDerWaalsContact NE2-CE1 3.28Å; H437-H518 AromaticContact NE2-ND1 3.49Å; H437-H518 PolarHBondContact NE2-ND1 3.46Å; H437-H518 AromaticContact NE2-NE2 3.78Å
438	R	90.9	Very high	88	Confident	28 Å²	28	30.9 Å²	30.9	11%	0.106	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	134.5	168.7	-170.2	67.2	63.8	176	0.1	109.2	D404 G443 V516 R517 I519 V525	D404-R438 IonicContact OD2-CZ 2.71Å; D404-R438 IonicContact OD2-NH1 3.78Å; D404-R438 PolarHBondContact OD2-NH1 2.79Å; D404-R438 IonicContact OD2-NH2 3.78Å; D404-R438 PolarHBondContact OD2-NH2 3.27Å; R438-G443 WeakPolarHBondContact CD-O 3.3Å; R438-G443 PolarHBondContact NH1-O 2.71Å; R438-V516 CarbonylContact O-C 3.52Å; R438-V516 VanDerWaalsContact O-CA 3.28Å; R438-V516 WeakPolarHBondContact O-CA 3.16Å; R438-R517 PolarHBondContact N-O 3.23Å; R438-R517 PolarHBondContact O-N 3.22Å; R438-I519 HydrophobicContact CB-CD1 3.65Å; R438-I519 HydrophobicContact CB-CG1 3.85Å; R438-V525 HydrophobicContact CB-CG1 4.41Å; R438-V525 HydrophobicContact CB-CG2 3.83Å; R438-V525 HydrophobicContact CG-CG2 3.92Å
439	C	86.1	Confident	87.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.1	164.5	-177.4	0	0	0	0	110.9	I441 C442 G443 A444 C508 C511 S515 V516	C439-I441 VanDerWaalsContact C-N 3.29Å; C439-I441 PolarHBondContact O-N 3.12Å; C439-C442 VanDerWaalsContact CB-SG 3.57Å; C439-G443 VanDerWaalsContact O-CA 3.26Å; C439-G443 WeakPolarHBondContact O-CA 3.04Å; C439-G443 PolarHBondContact O-N 3.41Å; C439-A444 PolarHBondContact N-O 3.34Å; C439-C508 HydrophobicContact CB-CB 3.78Å; C439-C508 VanDerWaalsContact CB-SG 3.53Å; C439-C511 VanDerWaalsContact SG-SG 3.62Å; C439-S515 WeakPolarHBondContact CA-O 3.11Å; C439-V516 HydrophobicContact CB-CG1 3.88Å
440	L	81.5	Confident	87.2	Confident	12 Å²	12	28.8 Å²	28.8	6%	0.063	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-23.4	179.5	-54.8	-171.7	0	0	0	112.9	S515 R517 V525 Y527 D531 R532	L440-S515 PolarHBondContact N-O 3.26Å; L440-R517 HydrophobicContact CD1-CG 3.91Å; L440-R517 HydrophobicContact CD2-CG 4.19Å; L440-R517 HydrophobicContact CG-CG 4.08Å; L440-V525 HydrophobicContact CD2-CG1 4.1Å; L440-Y527 HydrophobicContact CD1-CD1 4.39Å; L440-Y527 HydrophobicContact CD2-CD1 4.15Å; L440-Y527 HydrophobicContact CD2-CE1 3.77Å; L440-D531 HydrophobicContact CD1-CB 3.76Å; L440-D531 VanDerWaalsContact CD1-CG 3.41Å; L440-R532 PolarHBondContact O-NH2 3.21Å
441	I	73.8	Confident	87	Confident	37 Å²	37	30 Å²	30	19%	0.19	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-49.6	-179.4	-64.1	158.2	0	0	0	110.7	C439	C439-I441 VanDerWaalsContact C-N 3.29Å; C439-I441 PolarHBondContact O-N 3.12Å
442	C	71.7	Confident	86.8	Confident	18 Å²	18	32.8 Å²	32.8	12%	0.122	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-12.5	-173	69.7	0	0	0	0	115.8	R70 C439 A444 C511	R70-C442 PolarHBondContact NH2-O 2.98Å; C439-C442 VanDerWaalsContact CB-SG 3.57Å; C442-A444 PolarHBondContact O-N 2.97Å; C442-A444 WeakPolarHBondContact SG-CB 2.91Å; C442-C511 HydrophobicContact CB-CB 3.86Å; C442-C511 PolarHBondContact SG-SG 3.39Å
443	G	79.1	Confident	86.9	Confident	29 Å²	29	32.8 Å²	32.8	30%	0.299	18%	0.175	S	C	.	.			trans	78.9	-7.2	-176.4	0	0	0	0	0	114.9	R438 C439	R438-G443 WeakPolarHBondContact CD-O 3.3Å; R438-G443 PolarHBondContact NH1-O 2.71Å; C439-G443 VanDerWaalsContact O-CA 3.26Å; C439-G443 WeakPolarHBondContact O-CA 3.04Å; C439-G443 PolarHBondContact O-N 3.41Å
444	A	84	Confident	87	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.			trans	-67.7	150.1	-179.2	0	0	0	0	0	112.4	Y408 C439 C442 W510	Y408-A444 HydrophobicContact CD1-CB 3.85Å; Y408-A444 HydrophobicContact CE1-CB 3.48Å; Y408-A444 VanDerWaalsContact CE1-CB 3.48Å; C439-A444 PolarHBondContact N-O 3.34Å; C442-A444 PolarHBondContact O-N 2.97Å; C442-A444 WeakPolarHBondContact SG-CB 2.91Å; A444-W510 HydrophobicContact CB-CB 4.1Å; A444-W510 HydrophobicContact CB-CG 3.93Å
445	L	90.4	Very high	87.2	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	140	167.7	-173.1	70.6	0	0	0	109.3	L401 D404 V405 Y408 L436 W510 I519	L401-L445 HydrophobicContact CD1-CD1 4.19Å; L401-L445 HydrophobicContact CD1-CD2 4.36Å; D404-L445 HydrophobicContact CB-CB 4.49Å; D404-L445 HydrophobicContact CB-CD2 4.1Å; V405-L445 HydrophobicContact CB-CD2 4.26Å; V405-L445 HydrophobicContact CG2-CD2 3.45Å; V405-L445 VanDerWaalsContact CG2-CD2 3.45Å; Y408-L445 WeakPolarHBondContact CB-O 3.29Å; Y408-L445 HydrophobicContact CD2-CB 3.55Å; Y408-L445 HydrophobicContact CE2-CB 4.36Å; Y408-L445 HydrophobicContact CG-CB 3.89Å; L436-L445 HydrophobicContact CB-CD1 4.22Å; L436-L445 HydrophobicContact CD2-CD2 4.38Å; L445-W510 PolarHBondContact O-NE1 2.98Å; L445-I519 HydrophobicContact CD1-CD1 3.26Å; L445-I519 HydrophobicContact CD1-CG1 4.41Å
446	S	89.5	Confident	87.3	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.007	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142.8	172.5	-71.9	0	0	0	0	109.3	H437 L505 C508 T509	H437-S446 PolarHBondContact N-O 3.14Å; H437-S446 PolarHBondContact O-N 2.54Å; S446-L505 VanDerWaalsContact CB-CD2 3.46Å; S446-C508 PolarHBondContact OG-SG 2.89Å; S446-T509 WeakPolarHBondContact CB-OG1 3.43Å; S446-T509 PolarHBondContact OG-N 3.32Å; S446-T509 PolarHBondContact OG-OG1 3.27Å
447	E	90.4	Very high	87.2	Confident	28 Å²	28	35.5 Å²	35.5	13%	0.131	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.5	174.9	-178.2	173.3	-127.3	0	0	110.3	V409 S430 R435 L436 H449	V409-E447 HydrophobicContact CG2-CB 4.35Å; S430-E447 VanDerWaalsContact CB-OE1 3.22Å; S430-E447 WeakPolarHBondContact CB-OE1 3.27Å; S430-E447 PolarHBondContact OG-OE1 3.22Å; R435-E447 HydrophobicContact CB-CG 3.89Å; R435-E447 IonicContact CZ-OE1 2.79Å; R435-E447 VanDerWaalsContact CZ-OE1 3.26Å; R435-E447 IonicContact NE-OE1 3.16Å; R435-E447 PolarHBondContact NE-OE1 3.46Å; R435-E447 IonicContact NH2-OE1 2.79Å; R435-E447 PolarHBondContact NH2-OE1 3.38Å; R435-E447 IonicContact NH2-OE2 3.9Å; R435-E447 WeakPolarHBondContact O-CA 3.33Å; L436-E447 HydrophobicContact CD2-CB 4.13Å; L436-E447 HydrophobicContact CD2-CG 4.23Å; E447-H449 HydrophobicContact CG-CB 4.36Å; E447-H449 PolarHBondContact O-N 3.19Å; E447-H449 IonicContact OE2-ND1 2.65Å
448	L	89.7	Confident	87	Confident	16 Å²	16	38.1 Å²	38.1	8%	0.084	22%	0.222	C	C	.	.			trans	-77.4	73.2	168.2	-175.4	54.5	0	0	0	109.7	R435 Y500 L505	R435-L448 PolarHBondContact O-N 2.7Å; L448-Y500 HydrophobicContact CD2-CD1 4.08Å; L448-Y500 HydrophobicContact CG-CD1 4.23Å; L448-Y500 HydrophobicContact CG-CE1 4.19Å; L448-Y500 VanDerWaalsContact O-CE1 3.29Å; L448-Y500 WeakPolarHBondContact O-CE1 3.4Å; L448-L505 HydrophobicContact CD1-CD1 4.18Å
449	H	85.3	Confident	87	Confident	116 Å²	116	37 Å²	37	54%	0.537	22%	0.22	S	C	.	.			trans	-83.7	128.8	177	-173	96.3	0	0	0	110.7	E447	E447-H449 HydrophobicContact CG-CB 4.36Å; E447-H449 PolarHBondContact O-N 3.19Å; E447-H449 IonicContact OE2-ND1 2.65Å
450	I	87	Confident	87.4	Confident	13 Å²	13	42.6 Å²	42.6	7%	0.067	24%	0.244	C	C	.	.			trans	-115.6	119.4	174.4	-57	163.4	0	0	0	107.8	S452 L455 L461 V485 P498 Y500	I450-S452 PolarHBondContact O-N 3.33Å; I450-L455 HydrophobicContact CG2-CD1 4.02Å; I450-L455 HydrophobicContact CG2-CD2 4.11Å; I450-L455 HydrophobicContact CG2-CG 4.12Å; I450-L461 HydrophobicContact CG2-CD1 4.18Å; I450-V485 HydrophobicContact CD1-CB 4.26Å; I450-V485 HydrophobicContact CD1-CG1 3.63Å; I450-V485 HydrophobicContact CD1-CG2 3.53Å; I450-V485 HydrophobicContact CG1-CG2 3.93Å; I450-P498 HydrophobicContact CD1-CB 3.56Å; I450-P498 HydrophobicContact CD1-CG 3.65Å; I450-Y500 HydrophobicContact CD1-CD1 4.45Å; I450-Y500 HydrophobicContact CD1-CE1 3.53Å; I450-Y500 HydrophobicContact CG1-CE1 4.15Å
451	P	88.2	Confident	87.9	Confident	28 Å²	28	42 Å²	42	18%	0.182	24%	0.241	C	C	.	.			trans	-63.6	133.7	-178.3	-20	31.4	0	0	0	112	E453 W454	P451-E453 HydrophobicContact CB-CG 4.35Å; P451-E453 WeakPolarHBondContact CB-OE1 3.42Å; P451-E453 WeakPolarHBondContact CB-OE2 2.86Å; P451-E453 PolarHBondContact O-N 3.11Å; P451-W454 HydrophobicContact CB-CG 4.4Å; P451-W454 HydrophobicContact CG-CD2 4.3Å; P451-W454 HydrophobicContact CG-CZ2 4.34Å; P451-W454 WeakPolarHBondContact O-CB 3.48Å; P451-W454 PolarHBondContact O-N 2.97Å
452	S	88.1	Confident	88.9	Confident	83 Å²	83	40.5 Å²	40.5	58%	0.58	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-58.8	-34.8	-174.7	59	0	0	0	0	113.5	I450 W454 L455 V456	I450-S452 PolarHBondContact O-N 3.33Å; S452-W454 PolarHBondContact O-N 3.06Å; S452-L455 WeakPolarHBondContact O-CB 3.22Å; S452-L455 PolarHBondContact O-N 2.84Å; S452-V456 PolarHBondContact O-N 2.84Å
453	E	91.9	Very high	90	Very high	113 Å²	113	43.1 Å²	43.1	53%	0.528	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-68.4	-9.5	178.2	67.5	-82.8	-164.5	0	0	113.5	P451 G459	P451-E453 HydrophobicContact CB-CG 4.35Å; P451-E453 WeakPolarHBondContact CB-OE1 3.42Å; P451-E453 WeakPolarHBondContact CB-OE2 2.86Å; P451-E453 PolarHBondContact O-N 3.11Å; E453-G459 WeakPolarHBondContact O-CA 3.05Å
454	W	93.3	Very high	90.6	Very high	79 Å²	79	45.5 Å²	45.5	30%	0.299	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-85.7	-18.2	169.9	-67.1	12.9	0	0	0	113	P451 S452 G459 K460 L461 Y462	P451-W454 HydrophobicContact CB-CG 4.4Å; P451-W454 HydrophobicContact CG-CD2 4.3Å; P451-W454 HydrophobicContact CG-CZ2 4.34Å; P451-W454 WeakPolarHBondContact O-CB 3.48Å; P451-W454 PolarHBondContact O-N 2.97Å; S452-W454 PolarHBondContact O-N 3.06Å; W454-G459 CarbonylContact O-C 3.57Å; W454-K460 HydrophobicContact CB-CB 4.38Å; W454-K460 HydrophobicContact CD2-CB 4.41Å; W454-K460 HydrophobicContact CD2-CD 4.46Å; W454-K460 HydrophobicContact CG-CB 4.13Å; W454-K460 PolarHBondContact O-N 3.1Å; W454-L461 HydrophobicContact CB-CD1 4.43Å; W454-L461 HydrophobicContact CB-CG 4.21Å; W454-L461 HydrophobicContact CE3-CD1 4.16Å; W454-L461 HydrophobicContact CE3-CG 4.17Å; W454-L461 WeakPolarHBondContact O-CB 3.49Å; W454-L461 PolarHBondContact O-N 2.88Å; W454-Y462 PolarHBondContact O-N 3.49Å; W454-Y462 VanDerWaalsContact O-N 3.14Å
455	L	93.8	Very high	91.1	Very high	11 Å²	11	45.6 Å²	45.6	6%	0.058	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-21.2	-167.5	-62.2	169.6	0	0	0	113.8	I450 S452 L461 F495 L496 P498	I450-L455 HydrophobicContact CG2-CD1 4.02Å; I450-L455 HydrophobicContact CG2-CD2 4.11Å; I450-L455 HydrophobicContact CG2-CG 4.12Å; S452-L455 WeakPolarHBondContact O-CB 3.22Å; S452-L455 PolarHBondContact O-N 2.84Å; L455-L461 HydrophobicContact CD2-CD1 4.15Å; L455-F495 WeakPolarHBondContact O-CA 3.19Å; L455-L496 HydrophobicContact CB-CB 4.25Å; L455-L496 WeakPolarHBondContact CB-O 3.11Å; L455-L496 HydrophobicContact CD2-CB 3.79Å; L455-L496 PolarHBondContact O-N 3.35Å; L455-P498 HydrophobicContact CD1-CG 3.68Å; L455-P498 HydrophobicContact CD2-CG 4.06Å
456	V	93.9	Very high	91.2	Very high	61 Å²	61	50.2 Å²	50.2	37%	0.37	27%	0.272	S	S	.	.	S	Bend	trans	-83.7	168.1	176.2	-62.1	0	0	0	0	112.1	S452 G458 G459 Y462 F495	S452-V456 PolarHBondContact O-N 2.84Å; V456-G458 PolarHBondContact O-N 3.15Å; V456-G459 WeakPolarHBondContact O-CA 3.04Å; V456-G459 PolarHBondContact O-N 2.97Å; V456-Y462 WeakPolarHBondContact O-CB 3.36Å; V456-F495 HydrophobicContact CG1-CB 4.36Å
457	P	91.2	Very high	91.3	Very high	67 Å²	67	54.7 Å²	54.7	44%	0.435	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	135	-179.9	-22.2	36.1	0	0	0	111.8	G459 Y462 D494	P457-G459 PolarHBondContact O-N 3.47Å; P457-Y462 HydrophobicContact CB-CD1 4.38Å; P457-Y462 HydrophobicContact CB-CE1 3.93Å; P457-Y462 HydrophobicContact CB-CE2 4.33Å; P457-Y462 HydrophobicContact CG-CD2 4.49Å; P457-Y462 HydrophobicContact CG-CE1 4.38Å; P457-Y462 HydrophobicContact CG-CE2 3.91Å; P457-D494 WeakPolarHBondContact CD-O 3.45Å; P457-D494 HydrophobicContact CG-CB 4.17Å; P457-D494 VanDerWaalsContact CG-O 3.22Å; P457-D494 WeakPolarHBondContact CG-O 3.44Å; P457-D494 VanDerWaalsContact CG-OD2 3.31Å; P457-D494 WeakPolarHBondContact CG-OD2 3.34Å
458	G	87.8	Confident	91.3	Very high	59 Å²	59	57.4 Å²	57.4	61%	0.608	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-14.8	-169.2	0	0	0	0	0	113.9	V456 N463	V456-G458 PolarHBondContact O-N 3.15Å; G458-N463 VanDerWaalsContact C-ND2 3.26Å; G458-N463 VanDerWaalsContact CA-OD1 3.28Å; G458-N463 WeakPolarHBondContact CA-OD1 3.25Å; G458-N463 PolarHBondContact N-OD1 3.03Å; G458-N463 PolarHBondContact O-ND2 3Å
459	G	90.9	Very high	91.2	Very high	5 Å²	5	60.9 Å²	60.9	5%	0.052	34%	0.337	C	S	.	.	S	Bend	trans	-71.2	155.1	176	0	0	0	0	0	114.1	E453 W454 V456 P457 L461 Y462 N463	E453-G459 WeakPolarHBondContact O-CA 3.05Å; W454-G459 CarbonylContact O-C 3.57Å; V456-G459 WeakPolarHBondContact O-CA 3.04Å; V456-G459 PolarHBondContact O-N 2.97Å; P457-G459 PolarHBondContact O-N 3.47Å; G459-L461 PolarHBondContact O-N 2.9Å; G459-Y462 PolarHBondContact O-N 2.91Å; G459-N463 WeakPolarHBondContact O-CB 2.93Å; G459-N463 PolarHBondContact O-N 3.11Å; G459-N463 PolarHBondContact O-ND2 3.25Å
460	K	93.7	Very high	91.4	Very high	118 Å²	118	57.2 Å²	57.2	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-55.5	-49.6	-172.6	-175.4	-175.5	175.6	-170	0	114	W454 L464	W454-K460 HydrophobicContact CB-CB 4.38Å; W454-K460 HydrophobicContact CD2-CB 4.41Å; W454-K460 HydrophobicContact CD2-CD 4.46Å; W454-K460 HydrophobicContact CG-CB 4.13Å; W454-K460 PolarHBondContact O-N 3.1Å; K460-L464 WeakPolarHBondContact O-CB 3.43Å; K460-L464 PolarHBondContact O-N 3.24Å
461	L	93.1	Very high	91.5	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-78.4	-38.5	-176.7	-62.1	180	0	0	0	111.2	I450 W454 L455 G459 L464 A465 F480 V485 L496	I450-L461 HydrophobicContact CG2-CD1 4.18Å; W454-L461 HydrophobicContact CB-CD1 4.43Å; W454-L461 HydrophobicContact CB-CG 4.21Å; W454-L461 HydrophobicContact CE3-CD1 4.16Å; W454-L461 HydrophobicContact CE3-CG 4.17Å; W454-L461 WeakPolarHBondContact O-CB 3.49Å; W454-L461 PolarHBondContact O-N 2.88Å; L455-L461 HydrophobicContact CD2-CD1 4.15Å; G459-L461 PolarHBondContact O-N 2.9Å; L461-L464 PolarHBondContact O-N 3.22Å; L461-A465 PolarHBondContact O-N 3.23Å; L461-F480 HydrophobicContact CB-CE1 4.12Å; L461-F480 HydrophobicContact CB-CE2 4.11Å; L461-F480 HydrophobicContact CB-CZ 3.84Å; L461-F480 HydrophobicContact CD1-CD2 4.4Å; L461-F480 HydrophobicContact CD2-CB 4.25Å; L461-F480 HydrophobicContact CD2-CD1 3.87Å; L461-F480 HydrophobicContact CD2-CD2 4.26Å; L461-F480 HydrophobicContact CD2-CE1 4.21Å; L461-F480 HydrophobicContact CD2-CG 3.88Å; L461-F480 WeakPolarHBondContact O-CE1 3.45Å; L461-F480 WeakPolarHBondContact O-CZ 3.49Å; L461-V485 HydrophobicContact CD1-CG1 4.5Å; L461-L496 HydrophobicContact CB-CD1 4.14Å
462	Y	94.5	Very high	91.7	Very high	4 Å²	4	63.8 Å²	63.8	2%	0.016	36%	0.36	C	S	.	.	H	α-helix	trans	-56.7	-51.9	173.6	-177.7	-77.6	0	0	0	111.5	W454 V456 P457 G459 L464 A465 K466 L472 Y489 D494 L496	W454-Y462 PolarHBondContact O-N 3.49Å; W454-Y462 VanDerWaalsContact O-N 3.14Å; V456-Y462 WeakPolarHBondContact O-CB 3.36Å; P457-Y462 HydrophobicContact CB-CD1 4.38Å; P457-Y462 HydrophobicContact CB-CE1 3.93Å; P457-Y462 HydrophobicContact CB-CE2 4.33Å; P457-Y462 HydrophobicContact CG-CD2 4.49Å; P457-Y462 HydrophobicContact CG-CE1 4.38Å; P457-Y462 HydrophobicContact CG-CE2 3.91Å; G459-Y462 PolarHBondContact O-N 2.91Å; Y462-L464 VanDerWaalsContact C-N 3.3Å; Y462-L464 PolarHBondContact O-N 3.45Å; Y462-A465 PolarHBondContact O-N 3.17Å; Y462-K466 HydrophobicContact CD1-CD 4.27Å; Y462-K466 HydrophobicContact CE1-CD 3.45Å; Y462-K466 VanDerWaalsContact CE1-CD 3.45Å; Y462-K466 WeakPolarHBondContact O-CB 3.45Å; Y462-K466 PolarHBondContact O-N 2.91Å; Y462-K466 PolarHBondContact OH-NZ 3.39Å; Y462-L472 HydrophobicContact CD2-CD1 3.95Å; Y462-L472 HydrophobicContact CE1-CD1 4.46Å; Y462-L472 HydrophobicContact CE2-CD1 3.66Å; Y462-L472 HydrophobicContact CG-CD1 4.45Å; Y462-Y489 HydrophobicContact CE2-CE2 4.15Å; Y462-D494 WeakPolarHBondContact CE2-OD1 3.46Å; Y462-D494 VanDerWaalsContact CZ-OD1 3.27Å; Y462-D494 PolarHBondContact OH-OD1 2.78Å; Y462-D494 PolarHBondContact OH-OD2 3.25Å; Y462-L496 HydrophobicContact CD2-CG 4.45Å
463	N	93.7	Very high	91.8	Very high	74 Å²	74	67.1 Å²	67.1	40%	0.396	36%	0.359	S	S	.	.	H	α-helix	trans	-62.7	-38.3	179.6	-68.2	-11.7	0	0	0	111.7	G458 G459 K466 S467	G458-N463 VanDerWaalsContact C-ND2 3.26Å; G458-N463 VanDerWaalsContact CA-OD1 3.28Å; G458-N463 WeakPolarHBondContact CA-OD1 3.25Å; G458-N463 PolarHBondContact N-OD1 3.03Å; G458-N463 PolarHBondContact O-ND2 3Å; G459-N463 WeakPolarHBondContact O-CB 2.93Å; G459-N463 PolarHBondContact O-N 3.11Å; G459-N463 PolarHBondContact O-ND2 3.25Å; N463-K466 PolarHBondContact O-N 3.44Å; N463-S467 WeakPolarHBondContact O-CB 3.1Å; N463-S467 PolarHBondContact O-N 3.22Å; N463-S467 PolarHBondContact O-OG 2.92Å; N463-S467 VanDerWaalsContact O-OG 3.05Å
464	L	92.9	Very high	91.7	Very high	78 Å²	78	65.6 Å²	65.6	41%	0.408	36%	0.359	S	S	.	.	H	α-helix	trans	-66.1	-42.3	177.2	-179.9	58.1	0	0	0	112	K460 L461 Y462 S467 T468 F480	K460-L464 WeakPolarHBondContact O-CB 3.43Å; K460-L464 PolarHBondContact O-N 3.24Å; L461-L464 PolarHBondContact O-N 3.22Å; Y462-L464 VanDerWaalsContact C-N 3.3Å; Y462-L464 PolarHBondContact O-N 3.45Å; L464-S467 PolarHBondContact O-OG 2.88Å; L464-S467 VanDerWaalsContact O-OG 3.14Å; L464-T468 VanDerWaalsContact O-CB 3.26Å; L464-T468 WeakPolarHBondContact O-CB 3.37Å; L464-T468 PolarHBondContact O-N 2.91Å; L464-T468 PolarHBondContact O-OG1 3.45Å; L464-F480 HydrophobicContact CB-CE1 4.26Å; L464-F480 HydrophobicContact CD2-CD1 3.85Å; L464-F480 HydrophobicContact CD2-CE1 4.21Å; L464-F480 HydrophobicContact CG-CD1 4.29Å; L464-F480 HydrophobicContact CG-CE1 4.2Å
465	A	93	Very high	91.5	Very high	2 Å²	2	67.9 Å²	67.9	2%	0.017	38%	0.377	C	S	.	.	H	α-helix	trans	-64.1	-41.4	173.9	0	0	0	0	0	111.8	L461 Y462 T468 H469 L472 Y478 F480 L496	L461-A465 PolarHBondContact O-N 3.23Å; Y462-A465 PolarHBondContact O-N 3.17Å; A465-T468 PolarHBondContact O-N 2.75Å; A465-H469 WeakPolarHBondContact O-CB 3.47Å; A465-H469 PolarHBondContact O-N 2.78Å; A465-L472 HydrophobicContact CB-CD2 3.67Å; A465-Y478 HydrophobicContact CB-CD1 3.73Å; A465-Y478 HydrophobicContact CB-CE1 4.27Å; A465-Y478 HydrophobicContact CB-CG 4.14Å; A465-F480 HydrophobicContact CB-CE1 4.2Å; A465-F480 HydrophobicContact CB-CZ 3.96Å; A465-L496 HydrophobicContact CB-CD1 4.33Å
466	K	92.6	Very high	91.3	Very high	99 Å²	99	70.9 Å²	70.9	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-70.4	-36.9	-178.2	-165	165.2	-171.9	165.5	0	112.8	Y462 N463 G470 L472	Y462-K466 HydrophobicContact CD1-CD 4.27Å; Y462-K466 HydrophobicContact CE1-CD 3.45Å; Y462-K466 VanDerWaalsContact CE1-CD 3.45Å; Y462-K466 WeakPolarHBondContact O-CB 3.45Å; Y462-K466 PolarHBondContact O-N 2.91Å; Y462-K466 PolarHBondContact OH-NZ 3.39Å; N463-K466 PolarHBondContact O-N 3.44Å; K466-G470 WeakPolarHBondContact CA-O 3.43Å; K466-G470 WeakPolarHBondContact CG-O 3.35Å; K466-G470 CarbonylContact O-C 3.57Å; K466-G470 WeakPolarHBondContact O-CA 3.28Å; K466-G470 PolarHBondContact O-N 3.24Å; K466-L472 HydrophobicContact CB-CD2 4.41Å
467	S	91.5	Very high	91.3	Very high	94 Å²	94	71.8 Å²	71.8	66%	0.657	39%	0.393	S	S	*	.	H	α-helix	trans	-72.5	-35.7	172.8	62.8	0	0	0	0	112.7	N463 L464	N463-S467 WeakPolarHBondContact O-CB 3.1Å; N463-S467 PolarHBondContact O-N 3.22Å; N463-S467 PolarHBondContact O-OG 2.92Å; N463-S467 VanDerWaalsContact O-OG 3.05Å; L464-S467 PolarHBondContact O-OG 2.88Å; L464-S467 VanDerWaalsContact O-OG 3.14Å
468	T	90.4	Very high	91.4	Very high	85 Å²	85	68.8 Å²	68.8	52%	0.521	37%	0.373	S	S	.	.	H	α-helix	trans	-79.8	-24.3	-177.5	-48.4	0	0	0	0	113.4	L464 A465	L464-T468 VanDerWaalsContact O-CB 3.26Å; L464-T468 WeakPolarHBondContact O-CB 3.37Å; L464-T468 PolarHBondContact O-N 2.91Å; L464-T468 PolarHBondContact O-OG1 3.45Å; A465-T468 PolarHBondContact O-N 2.75Å
469	H	88.8	Confident	91.5	Very high	89 Å²	89	69.7 Å²	69.7	41%	0.412	37%	0.37	S	S	.	.	H	α-helix	trans	-132.3	1	-173.6	-57.3	-50.6	0	0	0	115.5	A465 K476 Y478	A465-H469 WeakPolarHBondContact O-CB 3.47Å; A465-H469 PolarHBondContact O-N 2.78Å; H469-K476 PolarHBondContact CE1-NZ 3.25Å; H469-K476 VanDerWaalsContact CE1-NZ 3.32Å; H469-K476 VanDerWaalsContact CG-NZ 3.31Å; H469-K476 PolarHBondContact ND1-NZ 3.27Å; H469-K476 VanDerWaalsContact ND1-NZ 3.17Å; H469-Y478 HydrophobicContact CB-CE1 4.15Å; H469-Y478 AromaticContact CD2-CD1 3.46Å; H469-Y478 VanDerWaalsContact CD2-CD1 3.46Å; H469-Y478 WeakPolarHBondContact CD2-CD1 3.38Å; H469-Y478 AromaticContact CD2-CE1 3.49Å; H469-Y478 VanDerWaalsContact CD2-CE1 3.49Å; H469-Y478 WeakPolarHBondContact CD2-CE1 3.19Å
470	G	88.7	Confident	91.6	Very high	39 Å²	39	70 Å²	70	40%	0.402	37%	0.37	S	S	.	.	S	Bend	trans	71.4	-126.5	-174.9	0	0	0	0	0	111.7	K466 L472	K466-G470 WeakPolarHBondContact CA-O 3.43Å; K466-G470 WeakPolarHBondContact CG-O 3.35Å; K466-G470 CarbonylContact O-C 3.57Å; K466-G470 WeakPolarHBondContact O-CA 3.28Å; K466-G470 PolarHBondContact O-N 3.24Å; G470-L472 PolarHBondContact O-N 3.24Å
471	Q	89.4	Confident	91.2	Very high	167 Å²	167	68.9 Å²	68.9	78%	0.78	37%	0.374	S	S	*	.	S	Bend	trans	-68.8	127.2	-179.1	-169.3	173.3	9.2	0	0	111.4
472	L	92.1	Very high	90.7	Very high	13 Å²	13	77.1 Å²	77.1	7%	0.068	42%	0.418	C	S	.	.			trans	-70.2	147	176.4	-56.8	-178.1	0	0	0	110.9	Y462 A465 K466 G470 Y478 Y489 L496	Y462-L472 HydrophobicContact CD2-CD1 3.95Å; Y462-L472 HydrophobicContact CE1-CD1 4.46Å; Y462-L472 HydrophobicContact CE2-CD1 3.66Å; Y462-L472 HydrophobicContact CG-CD1 4.45Å; A465-L472 HydrophobicContact CB-CD2 3.67Å; K466-L472 HydrophobicContact CB-CD2 4.41Å; G470-L472 PolarHBondContact O-N 3.24Å; L472-Y478 WeakPolarHBondContact CA-OH 3.37Å; L472-Y478 HydrophobicContact CD2-CD1 4.44Å; L472-Y478 HydrophobicContact CD2-CE1 3.78Å; L472-Y478 HydrophobicContact CD2-CE2 4.43Å; L472-Y489 HydrophobicContact CB-CD1 3.65Å; L472-Y489 HydrophobicContact CB-CD2 3.82Å; L472-Y489 HydrophobicContact CB-CE1 3.84Å; L472-Y489 HydrophobicContact CB-CE2 4Å; L472-Y489 HydrophobicContact CB-CG 3.64Å; L472-Y489 HydrophobicContact CD1-CD2 3.65Å; L472-Y489 HydrophobicContact CD1-CE2 3.85Å; L472-Y489 HydrophobicContact CD1-CG 4.26Å; L472-Y489 HydrophobicContact CG-CD2 4.39Å; L472-L496 HydrophobicContact CD1-CD2 4.27Å
473	R	90.9	Very high	90.2	Very high	152 Å²	152	79.2 Å²	79.2	57%	0.574	43%	0.429	S	S	*	.			trans	-137.1	144.3	-176.8	-48.2	-175.7	179.3	-177.5	-2.3	111.4	D475 Y478	R473-D475 WeakPolarHBondContact CB-OD1 3.45Å; R473-Y478 PolarHBondContact N-OH 3.33Å
474	P	89.8	Confident	89.8	Confident	81 Å²	81	78.2 Å²	78.2	53%	0.526	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-22.8	-175.6	30.5	-35.8	0	0	0	114.2	K476 Y489 P491	P474-K476 PolarHBondContact O-N 2.93Å; P474-Y489 WeakPolarHBondContact CA-O 3.37Å; P474-P491 HydrophobicContact CB-CG 3.85Å; P474-P491 HydrophobicContact CG-CG 3.91Å
475	D	89.1	Confident	89.7	Confident	127 Å²	127	74.8 Å²	74.8	68%	0.679	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-3.2	179.2	63.2	-48.7	0	0	0	113.5	R473	R473-D475 WeakPolarHBondContact CB-OD1 3.45Å
476	K	89.9	Confident	89.7	Confident	75 Å²	75	75.5 Å²	75.5	33%	0.326	41%	0.41	S	S	.	.			trans	-117.4	133.2	-173	-174.7	175.1	179.6	-172.2	0	112.5	H469 P474 Y478	H469-K476 PolarHBondContact CE1-NZ 3.25Å; H469-K476 VanDerWaalsContact CE1-NZ 3.32Å; H469-K476 VanDerWaalsContact CG-NZ 3.31Å; H469-K476 PolarHBondContact ND1-NZ 3.27Å; H469-K476 VanDerWaalsContact ND1-NZ 3.17Å; P474-K476 PolarHBondContact O-N 2.93Å; K476-Y478 HydrophobicContact CB-CE2 4.11Å; K476-Y478 HydrophobicContact CD-CE1 3.98Å; K476-Y478 HydrophobicContact CG-CE1 4.39Å; K476-Y478 HydrophobicContact CG-CE2 4.29Å; K476-Y478 VanDerWaalsContact O-CD2 3.29Å; K476-Y478 WeakPolarHBondContact O-CD2 3.26Å; K476-Y478 WeakPolarHBondContact O-CE2 3.44Å
477	N	92.3	Very high	89.8	Confident	79 Å²	79	70.8 Å²	70.8	42%	0.422	39%	0.39	S	S	.	.			trans	-86.2	138.3	165.4	-73.5	-5.1	0	0	0	111.3	V486 C487 L502	N477-V486 HydrophobicContact CB-CG1 3.9Å; N477-C487 CarbonylContact C-O 3.58Å; N477-C487 WeakPolarHBondContact CA-O 3.41Å; N477-L502 WeakPolarHBondContact ND2-CD1 3.48Å
478	Y	93.4	Very high	89.9	Confident	4 Å²	4	68 Å²	68	2%	0.016	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	107.8	-177.4	-64.5	-82.8	0	0	0	108.6	A465 H469 L472 R473 K476 V486 C487 L496	A465-Y478 HydrophobicContact CB-CD1 3.73Å; A465-Y478 HydrophobicContact CB-CE1 4.27Å; A465-Y478 HydrophobicContact CB-CG 4.14Å; H469-Y478 HydrophobicContact CB-CE1 4.15Å; H469-Y478 AromaticContact CD2-CD1 3.46Å; H469-Y478 VanDerWaalsContact CD2-CD1 3.46Å; H469-Y478 WeakPolarHBondContact CD2-CD1 3.38Å; H469-Y478 AromaticContact CD2-CE1 3.49Å; H469-Y478 VanDerWaalsContact CD2-CE1 3.49Å; H469-Y478 WeakPolarHBondContact CD2-CE1 3.19Å; L472-Y478 WeakPolarHBondContact CA-OH 3.37Å; L472-Y478 HydrophobicContact CD2-CD1 4.44Å; L472-Y478 HydrophobicContact CD2-CE1 3.78Å; L472-Y478 HydrophobicContact CD2-CE2 4.43Å; R473-Y478 PolarHBondContact N-OH 3.33Å; K476-Y478 HydrophobicContact CB-CE2 4.11Å; K476-Y478 HydrophobicContact CD-CE1 3.98Å; K476-Y478 HydrophobicContact CG-CE1 4.39Å; K476-Y478 HydrophobicContact CG-CE2 4.29Å; K476-Y478 VanDerWaalsContact O-CD2 3.29Å; K476-Y478 WeakPolarHBondContact O-CD2 3.26Å; K476-Y478 WeakPolarHBondContact O-CE2 3.44Å; Y478-V486 CarbonylContact O-C 3.47Å; Y478-V486 WeakPolarHBondContact O-CA 3.41Å; Y478-C487 WeakPolarHBondContact CB-O 3.35Å; Y478-C487 PolarHBondContact N-O 2.97Å; Y478-C487 PolarHBondContact O-N 3.13Å; Y478-L496 HydrophobicContact CD2-CD2 4.21Å
479	S	91.7	Very high	90.1	Very high	79 Å²	79	65.6 Å²	65.6	55%	0.552	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	138	179.7	-177.6	0	0	0	0	111.3
480	F	91.3	Very high	90.3	Very high	11 Å²	11	63 Å²	63	5%	0.048	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	79.7	178.6	-54.9	-77.3	0	0	0	109.8	L461 L464 A465 L482 N483 N484 V485 C487 L496	L461-F480 HydrophobicContact CB-CE1 4.12Å; L461-F480 HydrophobicContact CB-CE2 4.11Å; L461-F480 HydrophobicContact CB-CZ 3.84Å; L461-F480 HydrophobicContact CD1-CD2 4.4Å; L461-F480 HydrophobicContact CD2-CB 4.25Å; L461-F480 HydrophobicContact CD2-CD1 3.87Å; L461-F480 HydrophobicContact CD2-CD2 4.26Å; L461-F480 HydrophobicContact CD2-CE1 4.21Å; L461-F480 HydrophobicContact CD2-CG 3.88Å; L461-F480 WeakPolarHBondContact O-CE1 3.45Å; L461-F480 WeakPolarHBondContact O-CZ 3.49Å; L464-F480 HydrophobicContact CB-CE1 4.26Å; L464-F480 HydrophobicContact CD2-CD1 3.85Å; L464-F480 HydrophobicContact CD2-CE1 4.21Å; L464-F480 HydrophobicContact CG-CD1 4.29Å; L464-F480 HydrophobicContact CG-CE1 4.2Å; A465-F480 HydrophobicContact CB-CE1 4.2Å; A465-F480 HydrophobicContact CB-CZ 3.96Å; F480-L482 VanDerWaalsContact C-N 3.3Å; F480-L482 PolarHBondContact O-N 3.39Å; F480-N483 HydrophobicContact CB-CB 4.29Å; F480-N483 CarbonylContact O-C 3.07Å; F480-N483 WeakPolarHBondContact O-CA 3.45Å; F480-N483 PolarHBondContact O-N 2.7Å; F480-N484 PolarHBondContact O-N 3.47Å; F480-V485 HydrophobicContact CD2-CB 4.34Å; F480-V485 HydrophobicContact CD2-CG1 4.21Å; F480-V485 PolarHBondContact N-O 2.95Å; F480-V485 PolarHBondContact O-N 3.22Å; F480-C487 HydrophobicContact CE2-CB 4.16Å; F480-L496 HydrophobicContact CE2-CD1 4.06Å; F480-L496 HydrophobicContact CZ-CD1 3.71Å
481	P	85.6	Confident	90.3	Very high	94 Å²	94	64.3 Å²	64.3	61%	0.61	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-57.3	-37.3	-171.3	-28.3	36.3	0	0	0	114.5	N483 N484	P481-N483 PolarHBondContact O-N 3.06Å; P481-N483 VanDerWaalsContact O-N 3.09Å; P481-N484 PolarHBondContact O-N 2.7Å; P481-N484 VanDerWaalsContact O-N 3.12Å; P481-N484 PolarHBondContact O-OD1 3.21Å
482	L	83.1	Confident	90.4	Very high	173 Å²	173	64.9 Å²	64.9	91%	0.906	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-63.4	-15.3	176.1	-62.8	177.8	0	0	0	114	F480	F480-L482 VanDerWaalsContact C-N 3.3Å; F480-L482 PolarHBondContact O-N 3.39Å
483	N	83.6	Confident	90.2	Very high	48 Å²	48	72.8 Å²	72.8	26%	0.257	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-114.6	-9	176.2	-78.1	107.9	0	0	0	113	F480 P481 V485	F480-N483 HydrophobicContact CB-CB 4.29Å; F480-N483 CarbonylContact O-C 3.07Å; F480-N483 WeakPolarHBondContact O-CA 3.45Å; F480-N483 PolarHBondContact O-N 2.7Å; P481-N483 PolarHBondContact O-N 3.06Å; P481-N483 VanDerWaalsContact O-N 3.09Å; N483-V485 HydrophobicContact CB-CB 4.43Å; N483-V485 HydrophobicContact CB-CG2 4.15Å; N483-V485 PolarHBondContact O-N 3.43Å
484	N	86.8	Confident	90.3	Very high	54 Å²	54	68.3 Å²	68.3	29%	0.289	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	31.4	-172.2	-53.3	-73.2	0	0	0	113.7	F480 P481 S503 S504 N506	F480-N484 PolarHBondContact O-N 3.47Å; P481-N484 PolarHBondContact O-N 2.7Å; P481-N484 VanDerWaalsContact O-N 3.12Å; P481-N484 PolarHBondContact O-OD1 3.21Å; N484-S503 CarbonylContact O-C 3.45Å; N484-S503 VanDerWaalsContact O-CA 3.29Å; N484-S503 WeakPolarHBondContact O-CA 3.5Å; N484-S503 WeakPolarHBondContact O-CB 3.39Å; N484-S504 WeakPolarHBondContact CB-O 3.34Å; N484-S504 PolarHBondContact O-N 3Å; N484-N506 VanDerWaalsContact CG-OD1 3.3Å; N484-N506 PolarHBondContact ND2-ND2 3.33Å; N484-N506 PolarHBondContact OD1-ND2 2.68Å; N484-N506 PolarHBondContact OD1-OD1 3.36Å
485	V	90.7	Very high	90.4	Very high	5 Å²	5	66 Å²	66	3%	0.03	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.3	179.7	174.5	0	0	0	0	110	I450 L461 F480 N483 C487	I450-V485 HydrophobicContact CD1-CB 4.26Å; I450-V485 HydrophobicContact CD1-CG1 3.63Å; I450-V485 HydrophobicContact CD1-CG2 3.53Å; I450-V485 HydrophobicContact CG1-CG2 3.93Å; L461-V485 HydrophobicContact CD1-CG1 4.5Å; F480-V485 HydrophobicContact CD2-CB 4.34Å; F480-V485 HydrophobicContact CD2-CG1 4.21Å; F480-V485 PolarHBondContact N-O 2.95Å; F480-V485 PolarHBondContact O-N 3.22Å; N483-V485 HydrophobicContact CB-CB 4.43Å; N483-V485 HydrophobicContact CB-CG2 4.15Å; N483-V485 PolarHBondContact O-N 3.43Å; V485-C487 VanDerWaalsContact CG1-SG 3.53Å
486	V	92.9	Very high	90.7	Very high	18 Å²	18	59.9 Å²	59.9	11%	0.109	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.6	163.6	-179.7	0	0	0	0	108	N477 Y478 P498 D499 L502 S503	N477-V486 HydrophobicContact CB-CG1 3.9Å; Y478-V486 CarbonylContact O-C 3.47Å; Y478-V486 WeakPolarHBondContact O-CA 3.41Å; V486-P498 WeakPolarHBondContact O-CA 2.79Å; V486-D499 PolarHBondContact O-N 2.98Å; V486-L502 HydrophobicContact CB-CB 3.87Å; V486-L502 HydrophobicContact CG1-CB 4.12Å; V486-L502 HydrophobicContact CG1-CD1 4.22Å; V486-L502 HydrophobicContact CG2-CB 3.99Å; V486-L502 WeakPolarHBondContact CG2-O 3.5Å; V486-S503 PolarHBondContact N-OG 3.27Å; V486-S503 PolarHBondContact O-OG 2.79Å
487	C	93.6	Very high	90.8	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	148.2	174	-60.6	0	0	0	0	111.8	N477 Y478 F480 V485 L496 V497	N477-C487 CarbonylContact C-O 3.58Å; N477-C487 WeakPolarHBondContact CA-O 3.41Å; Y478-C487 WeakPolarHBondContact CB-O 3.35Å; Y478-C487 PolarHBondContact N-O 2.97Å; Y478-C487 PolarHBondContact O-N 3.13Å; F480-C487 HydrophobicContact CE2-CB 4.16Å; V485-C487 VanDerWaalsContact CG1-SG 3.53Å; C487-L496 HydrophobicContact CB-CB 3.89Å; C487-L496 HydrophobicContact CB-CD1 4.38Å; C487-L496 HydrophobicContact CB-CD2 4.25Å; C487-L496 HydrophobicContact CB-CG 4.41Å; C487-V497 CarbonylContact C-O 3.6Å; C487-V497 WeakPolarHBondContact CA-O 3.46Å; C487-V497 WeakPolarHBondContact CB-O 3.38Å
488	S	93.7	Very high	90.7	Very high	35 Å²	35	56 Å²	56	25%	0.245	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	179.9	154.4	62.4	0	0	0	0	109.9	L496 V497	S488-L496 CarbonylContact O-C 3.41Å; S488-L496 WeakPolarHBondContact O-CA 3.34Å; S488-L496 WeakPolarHBondContact O-CD2 3.42Å; S488-V497 PolarHBondContact N-O 3.15Å; S488-V497 PolarHBondContact O-N 3.31Å
489	Y	94.7	Very high	90.6	Very high	34 Å²	34	58.2 Å²	58.2	13%	0.133	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.6	178.9	169.4	-110.6	0	0	0	110.8	Y462 L472 P474 P491 D494 F495 L496	Y462-Y489 HydrophobicContact CE2-CE2 4.15Å; L472-Y489 HydrophobicContact CB-CD1 3.65Å; L472-Y489 HydrophobicContact CB-CD2 3.82Å; L472-Y489 HydrophobicContact CB-CE1 3.84Å; L472-Y489 HydrophobicContact CB-CE2 4Å; L472-Y489 HydrophobicContact CB-CG 3.64Å; L472-Y489 HydrophobicContact CD1-CD2 3.65Å; L472-Y489 HydrophobicContact CD1-CE2 3.85Å; L472-Y489 HydrophobicContact CD1-CG 4.26Å; L472-Y489 HydrophobicContact CG-CD2 4.39Å; P474-Y489 WeakPolarHBondContact CA-O 3.37Å; Y489-P491 HydrophobicContact CD1-CG 4.02Å; Y489-P491 HydrophobicContact CE1-CB 3.91Å; Y489-P491 HydrophobicContact CE1-CG 3.8Å; Y489-P491 WeakPolarHBondContact O-CD 3.43Å; Y489-D494 WeakPolarHBondContact CE2-OD1 3.48Å; Y489-D494 PolarHBondContact OH-OD1 3.26Å; Y489-D494 VanDerWaalsContact OH-OD1 3.08Å; Y489-F495 WeakPolarHBondContact CD2-O 3.46Å; Y489-L496 HydrophobicContact CD2-CD2 4.4Å
490	D	92.6	Very high	90.4	Very high	36 Å²	36	55.6 Å²	55.6	19%	0.193	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	109.3	172.9	178.6	-1.9	0	0	0	110.2	H492 R493 D494 F495 V497	D490-H492 VanDerWaalsContact C-N 3.31Å; D490-H492 PolarHBondContact O-N 2.81Å; D490-H492 WeakPolarHBondContact OD1-CB 3.26Å; D490-H492 IonicContact OD1-CD2 3.81Å; D490-H492 IonicContact OD1-CG 3.46Å; D490-H492 PolarHBondContact OD1-N 3.06Å; D490-R493 WeakPolarHBondContact OD2-CD 3.39Å; D490-D494 WeakPolarHBondContact O-CA 3.38Å; D490-D494 PolarHBondContact O-N 2.69Å; D490-F495 HydrophobicContact CB-CD1 3.86Å; D490-F495 HydrophobicContact CB-CE1 3.66Å; D490-F495 PolarHBondContact N-O 2.9Å; D490-F495 PolarHBondContact O-N 2.77Å; D490-F495 WeakPolarHBondContact OD2-CE1 3.36Å; D490-V497 HydrophobicContact CB-CG2 4.04Å
491	P	90.2	Very high	90.1	Very high	65 Å²	65	63 Å²	63	42%	0.422	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.7	179.5	-15.2	30.7	0	0	0	114.3	P474 Y489 R493	P474-P491 HydrophobicContact CB-CG 3.85Å; P474-P491 HydrophobicContact CG-CG 3.91Å; Y489-P491 HydrophobicContact CD1-CG 4.02Å; Y489-P491 HydrophobicContact CE1-CB 3.91Å; Y489-P491 HydrophobicContact CE1-CG 3.8Å; Y489-P491 WeakPolarHBondContact O-CD 3.43Å; P491-R493 VanDerWaalsContact C-N 3.34Å
492	H	90.4	Very high	90.1	Very high	180 Å²	180	63.2 Å²	63.2	83%	0.833	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-25.6	-179.8	-64.7	-76.9	0	0	0	112.3	D490	D490-H492 VanDerWaalsContact C-N 3.31Å; D490-H492 PolarHBondContact O-N 2.81Å; D490-H492 WeakPolarHBondContact OD1-CB 3.26Å; D490-H492 IonicContact OD1-CD2 3.81Å; D490-H492 IonicContact OD1-CG 3.46Å; D490-H492 PolarHBondContact OD1-N 3.06Å
493	R	88.5	Confident	90.4	Very high	178 Å²	178	55.1 Å²	55.1	67%	0.672	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	2.3	-177.5	-68.2	176.5	59.7	-159.7	-4	113.5	D490 P491 F495	D490-R493 WeakPolarHBondContact OD2-CD 3.39Å; P491-R493 VanDerWaalsContact C-N 3.34Å; R493-F495 HydrophobicContact CB-CD1 3.46Å; R493-F495 VanDerWaalsContact CB-CD1 3.46Å; R493-F495 HydrophobicContact CB-CE1 3.67Å; R493-F495 HydrophobicContact CG-CE1 4.39Å; R493-F495 PolarHBondContact O-N 3.24Å
494	D	91.7	Very high	90.4	Very high	58 Å²	58	55.3 Å²	55.3	31%	0.31	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.1	52.7	-176.5	-167.7	12.5	0	0	0	113.1	P457 Y462 Y489 D490	P457-D494 WeakPolarHBondContact CD-O 3.45Å; P457-D494 HydrophobicContact CG-CB 4.17Å; P457-D494 VanDerWaalsContact CG-O 3.22Å; P457-D494 WeakPolarHBondContact CG-O 3.44Å; P457-D494 VanDerWaalsContact CG-OD2 3.31Å; P457-D494 WeakPolarHBondContact CG-OD2 3.34Å; Y462-D494 WeakPolarHBondContact CE2-OD1 3.46Å; Y462-D494 VanDerWaalsContact CZ-OD1 3.27Å; Y462-D494 PolarHBondContact OH-OD1 2.78Å; Y462-D494 PolarHBondContact OH-OD2 3.25Å; Y489-D494 WeakPolarHBondContact CE2-OD1 3.48Å; Y489-D494 PolarHBondContact OH-OD1 3.26Å; Y489-D494 VanDerWaalsContact OH-OD1 3.08Å; D490-D494 WeakPolarHBondContact O-CA 3.38Å; D490-D494 PolarHBondContact O-N 2.69Å
495	F	93.7	Very high	90.3	Very high	32 Å²	32	54 Å²	54	14%	0.14	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	159.8	179.3	86.2	-63.5	0	0	0	113.2	L455 V456 Y489 D490 R493 V497	L455-F495 WeakPolarHBondContact O-CA 3.19Å; V456-F495 HydrophobicContact CG1-CB 4.36Å; Y489-F495 WeakPolarHBondContact CD2-O 3.46Å; D490-F495 HydrophobicContact CB-CD1 3.86Å; D490-F495 HydrophobicContact CB-CE1 3.66Å; D490-F495 PolarHBondContact N-O 2.9Å; D490-F495 PolarHBondContact O-N 2.77Å; D490-F495 WeakPolarHBondContact OD2-CE1 3.36Å; R493-F495 HydrophobicContact CB-CD1 3.46Å; R493-F495 VanDerWaalsContact CB-CD1 3.46Å; R493-F495 HydrophobicContact CB-CE1 3.67Å; R493-F495 HydrophobicContact CG-CE1 4.39Å; R493-F495 PolarHBondContact O-N 3.24Å; F495-V497 HydrophobicContact CE1-CG2 3.91Å; F495-V497 HydrophobicContact CE2-CG2 3.9Å; F495-V497 HydrophobicContact CZ-CG2 3.53Å
496	L	93.8	Very high	89.9	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130.6	172.6	-69.4	-178.3	0	0	0	111.2	L455 L461 Y462 A465 L472 Y478 F480 C487 S488 Y489	L455-L496 HydrophobicContact CB-CB 4.25Å; L455-L496 WeakPolarHBondContact CB-O 3.11Å; L455-L496 HydrophobicContact CD2-CB 3.79Å; L455-L496 PolarHBondContact O-N 3.35Å; L461-L496 HydrophobicContact CB-CD1 4.14Å; Y462-L496 HydrophobicContact CD2-CG 4.45Å; A465-L496 HydrophobicContact CB-CD1 4.33Å; L472-L496 HydrophobicContact CD1-CD2 4.27Å; Y478-L496 HydrophobicContact CD2-CD2 4.21Å; F480-L496 HydrophobicContact CE2-CD1 4.06Å; F480-L496 HydrophobicContact CZ-CD1 3.71Å; C487-L496 HydrophobicContact CB-CB 3.89Å; C487-L496 HydrophobicContact CB-CD1 4.38Å; C487-L496 HydrophobicContact CB-CD2 4.25Å; C487-L496 HydrophobicContact CB-CG 4.41Å; S488-L496 CarbonylContact O-C 3.41Å; S488-L496 WeakPolarHBondContact O-CA 3.34Å; S488-L496 WeakPolarHBondContact O-CD2 3.42Å; Y489-L496 HydrophobicContact CD2-CD2 4.4Å
497	V	91.6	Very high	89.5	Confident	52 Å²	52	59.3 Å²	59.3	32%	0.315	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.5	175.8	-177.8	0	0	0	0	108.8	C487 S488 D490 F495 D499	C487-V497 CarbonylContact C-O 3.6Å; C487-V497 WeakPolarHBondContact CA-O 3.46Å; C487-V497 WeakPolarHBondContact CB-O 3.38Å; S488-V497 PolarHBondContact N-O 3.15Å; S488-V497 PolarHBondContact O-N 3.31Å; D490-V497 HydrophobicContact CB-CG2 4.04Å; F495-V497 HydrophobicContact CE1-CG2 3.91Å; F495-V497 HydrophobicContact CE2-CG2 3.9Å; F495-V497 HydrophobicContact CZ-CG2 3.53Å; V497-D499 PolarHBondContact O-N 3.47Å
498	P	91.6	Very high	89	Confident	21 Å²	21	59.3 Å²	59.3	14%	0.136	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	128.3	176	-21.6	33.7	0	0	0	112.4	I450 L455 V486 Y500	I450-P498 HydrophobicContact CD1-CB 3.56Å; I450-P498 HydrophobicContact CD1-CG 3.65Å; L455-P498 HydrophobicContact CD1-CG 3.68Å; L455-P498 HydrophobicContact CD2-CG 4.06Å; V486-P498 WeakPolarHBondContact O-CA 2.79Å; P498-Y500 HydrophobicContact CB-CD1 4.48Å; P498-Y500 HydrophobicContact CB-CD2 4.33Å; P498-Y500 HydrophobicContact CB-CE1 4.1Å; P498-Y500 HydrophobicContact CB-CE2 3.93Å; P498-Y500 HydrophobicContact CG-CE2 4.49Å; P498-Y500 PolarHBondContact O-N 3.06Å
499	D	89.9	Confident	88.4	Confident	49 Å²	49	59.5 Å²	59.5	26%	0.262	30%	0.299	S	S	.	.			trans	-90.5	95.2	165.3	-171.3	-16.6	0	0	0	109	V486 V497 K501 L502 S503	V486-D499 PolarHBondContact O-N 2.98Å; V497-D499 PolarHBondContact O-N 3.47Å; D499-K501 PolarHBondContact O-N 2.9Å; D499-K501 VanDerWaalsContact OD1-CB 3.29Å; D499-K501 WeakPolarHBondContact OD1-CB 3.22Å; D499-K501 PolarHBondContact OD1-N 2.78Å; D499-L502 HydrophobicContact CB-CB 4.37Å; D499-L502 HydrophobicContact CB-CD1 4.45Å; D499-L502 HydrophobicContact CB-CG 4.48Å; D499-L502 PolarHBondContact O-N 2.8Å; D499-L502 VanDerWaalsContact O-N 3.12Å; D499-L502 WeakPolarHBondContact OD2-CD1 3.24Å; D499-S503 WeakPolarHBondContact O-CB 3.39Å; D499-S503 PolarHBondContact O-N 2.76Å; D499-S503 PolarHBondContact O-OG 2.83Å
500	Y	88.4	Confident	87.5	Confident	25 Å²	25	59.2 Å²	59.2	10%	0.098	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-0.7	177.9	-65.1	-68.7	0	0	0	114.7	E433 R435 L448 I450 P498	E433-Y500 HydrophobicContact CB-CD2 4.16Å; E433-Y500 WeakPolarHBondContact O-CB 3.1Å; E433-Y500 WeakPolarHBondContact O-CD2 3.45Å; R435-Y500 VanDerWaalsContact CD-CZ 3.5Å; R435-Y500 HydrophobicContact CG-CD1 4.06Å; R435-Y500 HydrophobicContact CG-CD2 3.98Å; R435-Y500 HydrophobicContact CG-CE1 4.05Å; R435-Y500 HydrophobicContact CG-CE2 3.97Å; R435-Y500 HydrophobicContact CG-CG 4.02Å; L448-Y500 HydrophobicContact CD2-CD1 4.08Å; L448-Y500 HydrophobicContact CG-CD1 4.23Å; L448-Y500 HydrophobicContact CG-CE1 4.19Å; L448-Y500 VanDerWaalsContact O-CE1 3.29Å; L448-Y500 WeakPolarHBondContact O-CE1 3.4Å; I450-Y500 HydrophobicContact CD1-CD1 4.45Å; I450-Y500 HydrophobicContact CD1-CE1 3.53Å; I450-Y500 HydrophobicContact CG1-CE1 4.15Å; P498-Y500 HydrophobicContact CB-CD1 4.48Å; P498-Y500 HydrophobicContact CB-CD2 4.33Å; P498-Y500 HydrophobicContact CB-CE1 4.1Å; P498-Y500 HydrophobicContact CB-CE2 3.93Å; P498-Y500 HydrophobicContact CG-CE2 4.49Å; P498-Y500 PolarHBondContact O-N 3.06Å
501	K	85.8	Confident	86.4	Confident	165 Å²	165	58 Å²	58	72%	0.717	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-22.5	167.7	-57.2	174.4	-178	172.4	0	112.1	D499	D499-K501 PolarHBondContact O-N 2.9Å; D499-K501 VanDerWaalsContact OD1-CB 3.29Å; D499-K501 WeakPolarHBondContact OD1-CB 3.22Å; D499-K501 PolarHBondContact OD1-N 2.78Å
502	L	85.7	Confident	85.8	Confident	100 Å²	100	60.4 Å²	60.4	52%	0.524	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-11.1	177.5	-59.7	-179.4	0	0	0	112.7	N477 V486 D499	N477-L502 WeakPolarHBondContact ND2-CD1 3.48Å; V486-L502 HydrophobicContact CB-CB 3.87Å; V486-L502 HydrophobicContact CG1-CB 4.12Å; V486-L502 HydrophobicContact CG1-CD1 4.22Å; V486-L502 HydrophobicContact CG2-CB 3.99Å; V486-L502 WeakPolarHBondContact CG2-O 3.5Å; D499-L502 HydrophobicContact CB-CB 4.37Å; D499-L502 HydrophobicContact CB-CD1 4.45Å; D499-L502 HydrophobicContact CB-CG 4.48Å; D499-L502 PolarHBondContact O-N 2.8Å; D499-L502 VanDerWaalsContact O-N 3.12Å; D499-L502 WeakPolarHBondContact OD2-CD1 3.24Å
503	S	88.1	Confident	85	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.021	27%	0.266	C	S	.	.			trans	-92.7	145.4	172.9	-50.8	0	0	0	0	110.8	N484 V486 D499	N484-S503 CarbonylContact O-C 3.45Å; N484-S503 VanDerWaalsContact O-CA 3.29Å; N484-S503 WeakPolarHBondContact O-CA 3.5Å; N484-S503 WeakPolarHBondContact O-CB 3.39Å; V486-S503 PolarHBondContact N-OG 3.27Å; V486-S503 PolarHBondContact O-OG 2.79Å; D499-S503 WeakPolarHBondContact O-CB 3.39Å; D499-S503 PolarHBondContact O-N 2.76Å; D499-S503 PolarHBondContact O-OG 2.83Å
504	S	83.7	Confident	84.6	Confident	51 Å²	51	48.5 Å²	48.5	36%	0.357	26%	0.261	S	S	.	.			trans	-126.9	145.8	179.8	59.8	0	0	0	0	112.1	N484 N506	N484-S504 WeakPolarHBondContact CB-O 3.34Å; N484-S504 PolarHBondContact O-N 3Å; S504-N506 PolarHBondContact OG-OD1 2.87Å
505	L	85.6	Confident	84.2	Confident	26 Å²	26	46 Å²	46	14%	0.136	25%	0.248	C	C	.	.			trans	-88.6	118.9	161.9	-173.8	70.8	0	0	0	108.3	H437 S446 L448 T507 V516	H437-L505 HydrophobicContact CB-CD2 4.02Å; S446-L505 VanDerWaalsContact CB-CD2 3.46Å; L448-L505 HydrophobicContact CD1-CD1 4.18Å; L505-T507 WeakPolarHBondContact CG-O 3.46Å; L505-V516 HydrophobicContact CB-CG2 4.41Å; L505-V516 HydrophobicContact CG-CG2 4.4Å; L505-V516 WeakPolarHBondContact O-CG2 3.3Å
506	N	81.3	Confident	84	Confident	71 Å²	71	44.8 Å²	44.8	38%	0.38	24%	0.243	S	C	.	.			trans	-92.4	-16.2	-176.8	-65.5	21.2	0	0	0	113.7	N484 S504 T514	N484-N506 VanDerWaalsContact CG-OD1 3.3Å; N484-N506 PolarHBondContact ND2-ND2 3.33Å; N484-N506 PolarHBondContact OD1-ND2 2.68Å; N484-N506 PolarHBondContact OD1-OD1 3.36Å; S504-N506 PolarHBondContact OG-OD1 2.87Å; N506-T514 WeakPolarHBondContact O-CA 3.22Å
507	T	84.3	Confident	83.9	Confident	65 Å²	65	46.9 Å²	46.9	40%	0.399	25%	0.251	S	S	.	.	S	Bend	trans	-143.8	142.8	-179	53.3	0	0	0	0	111.2	L505 T509 H512 T514	L505-T507 WeakPolarHBondContact CG-O 3.46Å; T507-T509 PolarHBondContact O-N 3.36Å; T507-H512 WeakPolarHBondContact CB-O 3.45Å; T507-H512 WeakPolarHBondContact CG2-O 3.31Å; T507-T514 HydrophobicContact CG2-CG2 4.18Å
508	C	83.3	Confident	83.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.25	C	C	.	.			trans	-63.9	133.1	174.2	-179	0	0	0	0	111.2	C439 S446 W510 H512 G513 V516	C439-C508 HydrophobicContact CB-CB 3.78Å; C439-C508 VanDerWaalsContact CB-SG 3.53Å; S446-C508 PolarHBondContact OG-SG 2.89Å; C508-W510 PolarHBondContact O-N 3.34Å; C508-W510 PolarHBondContact SG-N 2.93Å; C508-W510 VanDerWaalsContact SG-N 3.36Å; C508-H512 VanDerWaalsContact O-CA 3.22Å; C508-H512 WeakPolarHBondContact O-CA 3.38Å; C508-H512 PolarHBondContact O-N 3.13Å; C508-G513 PolarHBondContact N-O 2.94Å; C508-V516 HydrophobicContact CB-CG1 3.8Å
509	T	82	Confident	83.9	Confident	39 Å²	39	46.8 Å²	46.8	24%	0.239	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-6.5	176.2	60	0	0	0	0	114.3	S446 T507	S446-T509 WeakPolarHBondContact CB-OG1 3.43Å; S446-T509 PolarHBondContact OG-N 3.32Å; S446-T509 PolarHBondContact OG-OG1 3.27Å; T507-T509 PolarHBondContact O-N 3.36Å
510	W	75.2	Confident	84	Confident	27 Å²	27	51.8 Å²	51.8	10%	0.102	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-73.2	177.9	-64.8	99.4	0	0	0	110.8	V76 P80 Y408 R412 A444 L445 C508 H512	V76-W510 WeakPolarHBondContact CG1-O 3.35Å; V76-W510 WeakPolarHBondContact CG2-O 3.5Å; P80-W510 HydrophobicContact CB-CH2 3.96Å; P80-W510 HydrophobicContact CB-CZ3 4.19Å; P80-W510 HydrophobicContact CG-CH2 3.52Å; P80-W510 HydrophobicContact CG-CZ2 3.78Å; P80-W510 HydrophobicContact CG-CZ3 3.98Å; Y408-W510 AromaticContact CD1-CE2 3.93Å; Y408-W510 HydrophobicContact CD1-CZ2 4.31Å; Y408-W510 AromaticContact CD1-NE1 3.6Å; Y408-W510 WeakPolarHBondContact O-CZ2 3.36Å; R412-W510 HydrophobicContact CB-CH2 4.11Å; R412-W510 HydrophobicContact CB-CZ2 4.13Å; R412-W510 HydrophobicContact CG-CH2 3.92Å; R412-W510 HydrophobicContact CG-CZ2 4.14Å; A444-W510 HydrophobicContact CB-CB 4.1Å; A444-W510 HydrophobicContact CB-CG 3.93Å; L445-W510 PolarHBondContact O-NE1 2.98Å; C508-W510 PolarHBondContact O-N 3.34Å; C508-W510 PolarHBondContact SG-N 2.93Å; C508-W510 VanDerWaalsContact SG-N 3.36Å; W510-H512 PolarHBondContact O-N 3.4Å
511	C	70.5	Confident	84.1	Confident	10 Å²	10	51 Å²	51	7%	0.068	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	6.3	-173.9	78.9	0	0	0	0	115.1	L74 C439 C442 G513	L74-C511 HydrophobicContact CD1-CB 4.07Å; C439-C511 VanDerWaalsContact SG-SG 3.62Å; C442-C511 HydrophobicContact CB-CB 3.86Å; C442-C511 PolarHBondContact SG-SG 3.39Å; C511-G513 PolarHBondContact O-N 3.31Å
512	H	76.3	Confident	84.4	Confident	117 Å²	117	47 Å²	47	54%	0.542	25%	0.246	S	C	.	.			trans	55.4	-2.7	-174.5	-60.3	-61.9	0	0	0	117.1	T507 C508 W510	T507-H512 WeakPolarHBondContact CB-O 3.45Å; T507-H512 WeakPolarHBondContact CG2-O 3.31Å; C508-H512 VanDerWaalsContact O-CA 3.22Å; C508-H512 WeakPolarHBondContact O-CA 3.38Å; C508-H512 PolarHBondContact O-N 3.13Å; W510-H512 PolarHBondContact O-N 3.4Å
513	G	73.2	Confident	84.5	Confident	17 Å²	17	43.2 Å²	43.2	18%	0.175	23%	0.232	C	C	.	.			trans	-64.6	145.9	177.7	0	0	0	0	0	113.4	C508 C511	C508-G513 PolarHBondContact N-O 2.94Å; C511-G513 PolarHBondContact O-N 3.31Å
514	T	81.1	Confident	84.6	Confident	90 Å²	90	45.1 Å²	45.1	55%	0.552	25%	0.245	S	C	*	.	S	Bend	trans	-81.4	-22.7	-170.7	48.4	0	0	0	0	114.7	N506 T507 V516	N506-T514 WeakPolarHBondContact O-CA 3.22Å; T507-T514 HydrophobicContact CG2-CG2 4.18Å; T514-V516 VanDerWaalsContact C-N 3.29Å; T514-V516 PolarHBondContact O-N 2.98Å
515	S	83.4	Confident	85	Confident	5 Å²	5	43.6 Å²	43.6	4%	0.035	23%	0.233	C	C	.	.			trans	-73.4	80.3	177.2	-47	0	0	0	0	111.2	C439 L440 G640	C439-S515 WeakPolarHBondContact CA-O 3.11Å; L440-S515 PolarHBondContact N-O 3.26Å; S515-G640 WeakPolarHBondContact OG-CA 3.33Å; S515-G640 PolarHBondContact OG-O 2.84Å
516	V	89.1	Confident	85.3	Confident	8 Å²	8	44.9 Å²	44.9	5%	0.048	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	146.7	170.5	-68.9	0	0	0	0	111	H437 R438 C439 L505 C508 T514	H437-V516 HydrophobicContact CB-CB 4.44Å; R438-V516 CarbonylContact O-C 3.52Å; R438-V516 VanDerWaalsContact O-CA 3.28Å; R438-V516 WeakPolarHBondContact O-CA 3.16Å; C439-V516 HydrophobicContact CB-CG1 3.88Å; L505-V516 HydrophobicContact CB-CG2 4.41Å; L505-V516 HydrophobicContact CG-CG2 4.4Å; L505-V516 WeakPolarHBondContact O-CG2 3.3Å; C508-V516 HydrophobicContact CB-CG1 3.8Å; T514-V516 VanDerWaalsContact C-N 3.29Å; T514-V516 PolarHBondContact O-N 2.98Å
517	R	91.4	Very high	85.7	Confident	43 Å²	43	43.1 Å²	43.1	16%	0.162	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	144.4	-174	-62	-61.5	174.1	-114.2	5.8	111.2	H437 R438 L440 V525 D531	H437-R517 CarbonylContact C-O 3.57Å; H437-R517 WeakPolarHBondContact CA-O 3.42Å; R438-R517 PolarHBondContact N-O 3.23Å; R438-R517 PolarHBondContact O-N 3.22Å; L440-R517 HydrophobicContact CD1-CG 3.91Å; L440-R517 HydrophobicContact CD2-CG 4.19Å; L440-R517 HydrophobicContact CG-CG 4.08Å; R517-V525 HydrophobicContact CB-CG1 3.52Å; R517-V525 HydrophobicContact CG-CG1 4.23Å; R517-D531 WeakPolarHBondContact CD-OD2 3.4Å; R517-D531 WeakPolarHBondContact CG-OD2 3.28Å; R517-D531 IonicContact CZ-OD1 2.95Å; R517-D531 VanDerWaalsContact CZ-OD1 3.3Å; R517-D531 IonicContact CZ-OD2 2.82Å; R517-D531 VanDerWaalsContact NE-CG 3.32Å; R517-D531 IonicContact NE-OD1 3.96Å; R517-D531 PolarHBondContact NE-OD1 2.99Å; R517-D531 VanDerWaalsContact NE-OD1 3.09Å; R517-D531 IonicContact NE-OD2 2.73Å; R517-D531 PolarHBondContact NE-OD2 3.32Å; R517-D531 IonicContact NH2-OD1 2.68Å; R517-D531 PolarHBondContact NH2-OD1 3.17Å; R517-D531 IonicContact NH2-OD2 3.94Å
518	H	91.9	Very high	86	Confident	63 Å²	63	44.7 Å²	44.7	29%	0.292	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	154.8	176.6	-62.4	-88.5	0	0	0	112	N434 L436 H437 V526	N434-H518 PolarHBondContact O-ND1 2.85Å; L436-H518 WeakPolarHBondContact O-CA 3.41Å; H437-H518 AromaticContact CE1-CE1 3.65Å; H437-H518 AromaticContact CE1-ND1 3.66Å; H437-H518 AromaticContact NE2-CE1 3.28Å; H437-H518 PolarHBondContact NE2-CE1 3.41Å; H437-H518 VanDerWaalsContact NE2-CE1 3.28Å; H437-H518 AromaticContact NE2-ND1 3.49Å; H437-H518 PolarHBondContact NE2-ND1 3.46Å; H437-H518 AromaticContact NE2-NE2 3.78Å; H518-V526 HydrophobicContact CB-CG2 4.47Å; H518-V526 PolarHBondContact O-N 2.74Å
519	I	92.6	Very high	86.3	Confident	9 Å²	9	48.1 Å²	48.1	5%	0.046	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-119.5	138.1	175.7	-38	-176.5	0	0	0	110.3	L401 L436 R438 L445 G523 S524	L401-I519 HydrophobicContact CD1-CD1 4.13Å; L401-I519 HydrophobicContact CD1-CG2 4.49Å; L401-I519 HydrophobicContact CD2-CG2 4.36Å; L436-I519 PolarHBondContact O-N 3.12Å; L436-I519 VanDerWaalsContact O-N 3.08Å; R438-I519 HydrophobicContact CB-CD1 3.65Å; R438-I519 HydrophobicContact CB-CG1 3.85Å; L445-I519 HydrophobicContact CD1-CD1 3.26Å; L445-I519 HydrophobicContact CD1-CG1 4.41Å; I519-G523 VanDerWaalsContact CG2-C 3.46Å; I519-G523 WeakPolarHBondContact CG2-O 3.44Å; I519-S524 WeakPolarHBondContact CG2-O 3.1Å
520	R	92	Very high	86.4	Confident	153 Å²	153	46.3 Å²	46.3	58%	0.577	24%	0.243	S	C	*	.			trans	-80.9	161.4	170.4	-60.8	179.6	-177.7	170.5	2.1	110.9	N522 G523 S524 V526	R520-N522 WeakPolarHBondContact CB-OD1 3.27Å; R520-N522 PolarHBondContact O-N 2.9Å; R520-N522 VanDerWaalsContact O-N 3.12Å; R520-G523 PolarHBondContact O-N 3.39Å; R520-S524 PolarHBondContact N-O 3.43Å; R520-V526 HydrophobicContact CG-CG2 3.87Å
521	G	90.6	Very high	86.9	Confident	8 Å²	8	45.1 Å²	45.1	8%	0.082	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-30.9	-178.2	0	0	0	0	0	115.1	I397 H398 G523	I397-G521 CarbonylContact C-O 3.59Å; I397-G521 WeakPolarHBondContact CA-O 3.18Å; H398-G521 PolarHBondContact N-O 3.08Å; G521-G523 PolarHBondContact O-N 2.92Å; G521-G523 VanDerWaalsContact O-N 3.16Å
522	N	90.8	Very high	87.6	Confident	82 Å²	82	47.6 Å²	47.6	44%	0.439	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	3.6	173.9	70.5	-17.9	0	0	0	114.5	M392 R520 S524	M392-N522 HydrophobicContact CE-CB 4.08Å; M392-N522 HydrophobicContact SD-CB 4.23Å; R520-N522 WeakPolarHBondContact CB-OD1 3.27Å; R520-N522 PolarHBondContact O-N 2.9Å; R520-N522 VanDerWaalsContact O-N 3.12Å; N522-S524 VanDerWaalsContact C-N 3.3Å; N522-S524 PolarHBondContact ND2-OG 3.17Å; N522-S524 PolarHBondContact O-N 3.44Å; N522-S524 WeakPolarHBondContact OD1-CB 3.3Å; N522-S524 PolarHBondContact OD1-N 2.92Å; N522-S524 PolarHBondContact OD1-OG 3.49Å
523	G	88.3	Confident	88	Confident	21 Å²	21	42 Å²	42	22%	0.216	22%	0.221	C	C	.	.	S	Bend	trans	81.7	-4.5	-176.7	0	0	0	0	0	115.3	I519 R520 G521	I519-G523 VanDerWaalsContact CG2-C 3.46Å; I519-G523 WeakPolarHBondContact CG2-O 3.44Å; R520-G523 PolarHBondContact O-N 3.39Å; G521-G523 PolarHBondContact O-N 2.92Å; G521-G523 VanDerWaalsContact O-N 3.16Å
524	S	90.6	Very high	88.1	Confident	43 Å²	43	46.3 Å²	46.3	30%	0.301	24%	0.24	S	C	.	.			trans	-72.5	135.3	177.4	70.7	0	0	0	0	111.5	I519 R520 N522	I519-S524 WeakPolarHBondContact CG2-O 3.1Å; R520-S524 PolarHBondContact N-O 3.43Å; N522-S524 VanDerWaalsContact C-N 3.3Å; N522-S524 PolarHBondContact ND2-OG 3.17Å; N522-S524 PolarHBondContact O-N 3.44Å; N522-S524 WeakPolarHBondContact OD1-CB 3.3Å; N522-S524 PolarHBondContact OD1-N 2.92Å; N522-S524 PolarHBondContact OD1-OG 3.49Å
525	V	91.5	Very high	88.1	Confident	18 Å²	18	44.1 Å²	44.1	11%	0.109	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-79.4	139.1	177.9	-176.4	0	0	0	0	110	R438 L440 R517 Y527	R438-V525 HydrophobicContact CB-CG1 4.41Å; R438-V525 HydrophobicContact CB-CG2 3.83Å; R438-V525 HydrophobicContact CG-CG2 3.92Å; L440-V525 HydrophobicContact CD2-CG1 4.1Å; R517-V525 HydrophobicContact CB-CG1 3.52Å; R517-V525 HydrophobicContact CG-CG1 4.23Å; V525-Y527 HydrophobicContact CB-CD1 4.32Å; V525-Y527 HydrophobicContact CB-CE1 3.99Å; V525-Y527 HydrophobicContact CB-CE2 4.19Å; V525-Y527 HydrophobicContact CG1-CD1 3.92Å; V525-Y527 HydrophobicContact CG1-CE1 3.9Å; V525-Y527 HydrophobicContact CG1-CG 4.39Å; V525-Y527 PolarHBondContact O-N 2.83Å
526	V	91.1	Very high	87.6	Confident	53 Å²	53	48.3 Å²	48.3	32%	0.321	24%	0.243	S	C	.	.			trans	-86.1	84.2	171.2	-173.5	0	0	0	0	108.3	H518 R520	H518-V526 HydrophobicContact CB-CG2 4.47Å; H518-V526 PolarHBondContact O-N 2.74Å; R520-V526 HydrophobicContact CG-CG2 3.87Å
527	Y	90.5	Very high	87	Confident	34 Å²	34	49 Å²	49	13%	0.133	25%	0.249	C	C	.	.			trans	-67.5	155.2	176.3	-60.9	-68.1	0	0	0	112.2	L440 V525 D531 T533 N534 Y549	L440-Y527 HydrophobicContact CD1-CD1 4.39Å; L440-Y527 HydrophobicContact CD2-CD1 4.15Å; L440-Y527 HydrophobicContact CD2-CE1 3.77Å; V525-Y527 HydrophobicContact CB-CD1 4.32Å; V525-Y527 HydrophobicContact CB-CE1 3.99Å; V525-Y527 HydrophobicContact CB-CE2 4.19Å; V525-Y527 HydrophobicContact CG1-CD1 3.92Å; V525-Y527 HydrophobicContact CG1-CE1 3.9Å; V525-Y527 HydrophobicContact CG1-CG 4.39Å; V525-Y527 PolarHBondContact O-N 2.83Å; Y527-D531 VanDerWaalsContact CA-OD2 3.3Å; Y527-D531 WeakPolarHBondContact CA-OD2 3.25Å; Y527-D531 HydrophobicContact CD1-CB 3.85Å; Y527-D531 HydrophobicContact CG-CB 4.39Å; Y527-T533 HydrophobicContact CD1-CG2 4.4Å; Y527-T533 HydrophobicContact CD2-CG2 4.2Å; Y527-T533 HydrophobicContact CE1-CG2 4.16Å; Y527-T533 HydrophobicContact CE2-CG2 3.94Å; Y527-T533 HydrophobicContact CG-CG2 4.42Å; Y527-N534 PolarHBondContact OH-N 2.87Å; Y527-Y549 VanDerWaalsContact CB-CG 3.41Å; Y527-Y549 AromaticContact CD2-CD2 3.9Å; Y527-Y549 HydrophobicContact CD2-CD2 3.9Å; Y527-Y549 HydrophobicContact CD2-CE2 4.43Å; Y527-Y549 HydrophobicContact CD2-CG 4.24Å; Y527-Y549 HydrophobicContact CG-CD2 4.25Å; Y527-Y549 HydrophobicContact CG-CG 4.13Å
528	L	89.8	Confident	85.9	Confident	99 Å²	99	54.7 Å²	54.7	52%	0.518	28%	0.277	S	S	.	.			trans	-109.6	158.7	167.5	-58.1	179.9	0	0	0	109.7	G530 D531	L528-G530 PolarHBondContact O-N 3.35Å; L528-D531 PolarHBondContact N-OD2 3.27Å; L528-D531 VanDerWaalsContact O-CB 3.23Å; L528-D531 WeakPolarHBondContact O-CB 3.25Å; L528-D531 PolarHBondContact O-N 2.8Å
529	D	90	Very high	84.7	Confident	72 Å²	72	53.1 Å²	53.1	39%	0.385	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	128.6	179.3	-69.6	-12.2	0	0	0	111.1	Y549 W550 D551	D529-Y549 WeakPolarHBondContact CA-O 3.41Å; D529-W550 HydrophobicContact CB-CD2 3.82Å; D529-W550 HydrophobicContact CB-CE3 4.04Å; D529-W550 HydrophobicContact CB-CG 4.22Å; D529-W550 HydrophobicContact CB-CH2 4.45Å; D529-W550 HydrophobicContact CB-CZ2 4.25Å; D529-W550 HydrophobicContact CB-CZ3 4.36Å; D529-W550 VanDerWaalsContact OD1-CA 3.3Å; D529-W550 WeakPolarHBondContact OD1-CA 3.43Å; D529-D551 PolarHBondContact OD1-N 2.91Å
530	G	85.2	Confident	83.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	-20	-174.2	0	0	0	0	0	115.1	L528 R532 H548 Y549 A641	L528-G530 PolarHBondContact O-N 3.35Å; G530-R532 PolarHBondContact O-N 2.93Å; G530-H548 PolarHBondContact O-ND1 2.73Å; G530-Y549 PolarHBondContact N-O 3.29Å; G530-A641 WeakPolarHBondContact O-CB 3.45Å
531	D	85.9	Confident	82.9	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.016	28%	0.283	C	S	.	.			trans	-56.6	131.5	-177.9	-83	-16.1	0	0	0	112.4	L440 R517 Y527 L528 T533 H548 Y549	L440-D531 HydrophobicContact CD1-CB 3.76Å; L440-D531 VanDerWaalsContact CD1-CG 3.41Å; R517-D531 WeakPolarHBondContact CD-OD2 3.4Å; R517-D531 WeakPolarHBondContact CG-OD2 3.28Å; R517-D531 IonicContact CZ-OD1 2.95Å; R517-D531 VanDerWaalsContact CZ-OD1 3.3Å; R517-D531 IonicContact CZ-OD2 2.82Å; R517-D531 VanDerWaalsContact NE-CG 3.32Å; R517-D531 IonicContact NE-OD1 3.96Å; R517-D531 PolarHBondContact NE-OD1 2.99Å; R517-D531 VanDerWaalsContact NE-OD1 3.09Å; R517-D531 IonicContact NE-OD2 2.73Å; R517-D531 PolarHBondContact NE-OD2 3.32Å; R517-D531 IonicContact NH2-OD1 2.68Å; R517-D531 PolarHBondContact NH2-OD1 3.17Å; R517-D531 IonicContact NH2-OD2 3.94Å; Y527-D531 VanDerWaalsContact CA-OD2 3.3Å; Y527-D531 WeakPolarHBondContact CA-OD2 3.25Å; Y527-D531 HydrophobicContact CD1-CB 3.85Å; Y527-D531 HydrophobicContact CG-CB 4.39Å; L528-D531 PolarHBondContact N-OD2 3.27Å; L528-D531 VanDerWaalsContact O-CB 3.23Å; L528-D531 WeakPolarHBondContact O-CB 3.25Å; L528-D531 PolarHBondContact O-N 2.8Å; D531-T533 PolarHBondContact O-N 2.86Å; D531-H548 CarbonylContact O-C 2.72Å; D531-H548 VanDerWaalsContact O-CA 3.3Å; D531-H548 WeakPolarHBondContact O-CA 3.23Å; D531-Y549 PolarHBondContact O-N 2.99Å
532	R	84.4	Confident	82	Confident	62 Å²	62	51.4 Å²	51.4	23%	0.234	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	123.6	166.5	-171.1	-169.4	70.1	-172.2	-3.3	109.8	L440 G530 F546	L440-R532 PolarHBondContact O-NH2 3.21Å; G530-R532 PolarHBondContact O-N 2.93Å; R532-F546 HydrophobicContact CG-CB 3.53Å; R532-F546 HydrophobicContact CG-CD2 4.49Å; R532-F546 HydrophobicContact CG-CG 4.13Å
533	T	84.6	Confident	80.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	175.8	177.8	89.3	0	0	0	0	111.7	Y527 D531 S535 F546 K547 E554	Y527-T533 HydrophobicContact CD1-CG2 4.4Å; Y527-T533 HydrophobicContact CD2-CG2 4.2Å; Y527-T533 HydrophobicContact CE1-CG2 4.16Å; Y527-T533 HydrophobicContact CE2-CG2 3.94Å; Y527-T533 HydrophobicContact CG-CG2 4.42Å; D531-T533 PolarHBondContact O-N 2.86Å; T533-S535 VanDerWaalsContact C-N 3.29Å; T533-S535 WeakPolarHBondContact OG1-CB 2.82Å; T533-S535 PolarHBondContact OG1-N 3.19Å; T533-S535 VanDerWaalsContact OG1-N 3.12Å; T533-F546 WeakPolarHBondContact O-CD1 2.91Å; T533-K547 PolarHBondContact N-O 3.38Å; T533-E554 WeakPolarHBondContact CB-OE1 3.22Å; T533-E554 HydrophobicContact CG2-CG 4.21Å; T533-E554 WeakPolarHBondContact CG2-OE1 3.31Å; T533-E554 PolarHBondContact OG1-OE1 3.44Å
534	N	75.6	Confident	79.4	Confident	107 Å²	107	52 Å²	52	57%	0.572	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	-9.1	174.7	-62.5	-26.7	0	0	0	113.1	Y527	Y527-N534 PolarHBondContact OH-N 2.87Å
535	S	80.2	Confident	78.2	Confident	44 Å²	44	51.6 Å²	51.6	31%	0.308	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	140.9	179.6	-68.7	0	0	0	0	111.1	T533 F546 K547 E554	T533-S535 VanDerWaalsContact C-N 3.29Å; T533-S535 WeakPolarHBondContact OG1-CB 2.82Å; T533-S535 PolarHBondContact OG1-N 3.19Å; T533-S535 VanDerWaalsContact OG1-N 3.12Å; S535-F546 CarbonylContact O-C 3.57Å; S535-F546 VanDerWaalsContact O-CA 3.28Å; S535-F546 WeakPolarHBondContact O-CA 3.26Å; S535-K547 PolarHBondContact O-N 3.33Å; S535-E554 WeakPolarHBondContact CB-OE2 3.27Å; S535-E554 VanDerWaalsContact OG-CD 3.27Å; S535-E554 PolarHBondContact OG-OE1 2.94Å; S535-E554 PolarHBondContact OG-OE2 3.12Å
536	R	73.6	Confident	77.6	Confident	92 Å²	92	53.4 Å²	53.4	35%	0.347	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	134.6	176.3	-69.2	-174.1	174.7	-167.6	-7.4	111	Q25	Q25-R536 PolarHBondContact O-NH1 3.17Å; Q25-R536 PolarHBondContact O-NH2 2.67Å
537	S	76.5	Confident	77.5	Confident	24 Å²	24	52.6 Å²	52.6	17%	0.168	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-78.4	139.6	157.5	179.5	0	0	0	0	108.8	G539 G545 D556	S537-G539 PolarHBondContact OG-N 3.01Å; S537-G539 PolarHBondContact OG-O 2.88Å; S537-G545 PolarHBondContact N-O 3.41Å; S537-D556 VanDerWaalsContact CA-OD1 3.3Å; S537-D556 WeakPolarHBondContact CA-OD1 3.26Å; S537-D556 VanDerWaalsContact CB-OD1 3.23Å; S537-D556 WeakPolarHBondContact CB-OD1 3.35Å; S537-D556 PolarHBondContact OG-OD1 2.84Å
538	Q	68.6	Low	77.4	Confident	161 Å²	161	51.1 Å²	51.1	75%	0.752	30%	0.3	S	S	*	.	S	Bend	trans	-103.7	-1.4	175.7	-62.2	-69	-20.1	0	0	112
539	G	66.3	Low	77.5	Confident	31 Å²	31	49.3 Å²	49.3	32%	0.32	29%	0.287	S	S	.	.	S	Bend	trans	171.5	142.4	-175.7	0	0	0	0	0	109.8	S537 D556 T584	S537-G539 PolarHBondContact OG-N 3.01Å; S537-G539 PolarHBondContact OG-O 2.88Å; G539-D556 WeakPolarHBondContact O-CB 3.25Å; G539-T584 PolarHBondContact O-OG1 3.32Å
540	G	71.8	Confident	77.6	Confident	41 Å²	41	46.9 Å²	46.9	42%	0.423	27%	0.272	S	S	.	.			trans	158.6	162.9	-176.4	0	0	0	0	0	111.4
541	K	74.4	Confident	77.7	Confident	71 Å²	71	51.6 Å²	51.6	31%	0.309	30%	0.297	S	S	.	.	S	Bend	trans	-87.6	-11.2	178.5	-68.2	-169.2	179.7	-175.2	0	113.9	G543 N557 Y582 P630 D631 E632 Y633	K541-G543 VanDerWaalsContact C-N 3.27Å; K541-G543 PolarHBondContact O-N 2.94Å; K541-N557 PolarHBondContact N-OD1 3.14Å; K541-Y582 HydrophobicContact CD-CD1 4.23Å; K541-Y582 HydrophobicContact CD-CD2 3.62Å; K541-Y582 HydrophobicContact CD-CE1 4.45Å; K541-Y582 HydrophobicContact CD-CE2 3.89Å; K541-Y582 HydrophobicContact CD-CG 3.81Å; K541-Y582 HydrophobicContact CG-CD2 4.26Å; K541-Y582 HydrophobicContact CG-CG 4.14Å; K541-Y582 PolarHBondContact NZ-OH 2.88Å; K541-P630 PolarHBondContact NZ-O 2.81Å; K541-D631 PolarHBondContact NZ-O 3.26Å; K541-E632 PolarHBondContact NZ-O 3.49Å; K541-Y633 HydrophobicContact CB-CD1 3.45Å; K541-Y633 VanDerWaalsContact CB-CD1 3.45Å; K541-Y633 HydrophobicContact CB-CD2 4.4Å; K541-Y633 HydrophobicContact CB-CE1 3.91Å; K541-Y633 HydrophobicContact CB-CG 3.73Å; K541-Y633 VanDerWaalsContact CD-CB 3.43Å; K541-Y633 HydrophobicContact CD-CD1 4.37Å; K541-Y633 HydrophobicContact CD-CD2 4.47Å; K541-Y633 HydrophobicContact CD-CG 3.86Å; K541-Y633 HydrophobicContact CG-CG 4.49Å
542	C	72	Confident	77.8	Confident	21 Å²	21	54 Å²	54	14%	0.142	32%	0.323	C	S	.	.	S	Bend	trans	-68.7	-20.7	179.8	-165.2	0	0	0	0	114.3	C544 H548 N557 Y633	C542-C544 PolarHBondContact O-N 2.88Å; C542-H548 PolarHBondContact SG-NE2 2.88Å; C542-N557 PolarHBondContact N-OD1 3.12Å; C542-Y633 HydrophobicContact CB-CE1 4.4Å
543	G	61.9	Low	78.1	Confident	71 Å²	71	56.2 Å²	56.2	73%	0.732	33%	0.334	S	S	*	.			trans	68.7	-16.4	171.8	0	0	0	0	0	117.1	K541 G545	K541-G543 VanDerWaalsContact C-N 3.27Å; K541-G543 PolarHBondContact O-N 2.94Å; G543-G545 PolarHBondContact O-N 3.41Å; G543-G545 VanDerWaalsContact O-N 3.13Å
544	C	61.9	Low	78.4	Confident	45 Å²	45	59.3 Å²	59.3	30%	0.304	35%	0.349	S	S	.	.	S	Bend	trans	-68.3	-13.9	-172.6	76.7	0	0	0	0	114.7	C542 F546 H548	C542-C544 PolarHBondContact O-N 2.88Å; C544-F546 WeakPolarHBondContact O-CD2 3.49Å; C544-F546 PolarHBondContact SG-N 2.8Å; C544-F546 PolarHBondContact SG-O 3.48Å; C544-H548 PolarHBondContact SG-NE2 2.92Å
545	G	67.3	Low	79.1	Confident	34 Å²	34	55 Å²	55	35%	0.351	33%	0.325	S	S	.	.	S	Bend	trans	84	0.5	179.1	0	0	0	0	0	115.7	S537 G543	S537-G545 PolarHBondContact N-O 3.41Å; G543-G545 PolarHBondContact O-N 3.41Å; G543-G545 VanDerWaalsContact O-N 3.13Å
546	F	78.6	Confident	79.4	Confident	56 Å²	56	53.1 Å²	53.1	25%	0.246	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	164.3	-177.7	-67.3	-90.6	0	0	0	110.5	R532 T533 S535 C544	R532-F546 HydrophobicContact CG-CB 3.53Å; R532-F546 HydrophobicContact CG-CD2 4.49Å; R532-F546 HydrophobicContact CG-CG 4.13Å; T533-F546 WeakPolarHBondContact O-CD1 2.91Å; S535-F546 CarbonylContact O-C 3.57Å; S535-F546 VanDerWaalsContact O-CA 3.28Å; S535-F546 WeakPolarHBondContact O-CA 3.26Å; C544-F546 WeakPolarHBondContact O-CD2 3.49Å; C544-F546 PolarHBondContact SG-N 2.8Å; C544-F546 PolarHBondContact SG-O 3.48Å
547	K	88.1	Confident	79.9	Confident	36 Å²	36	48.8 Å²	48.8	16%	0.157	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	159.9	170.7	-70.5	-171	173.4	-76	0	111.6	T533 S535 E554 Y555 D556	T533-K547 PolarHBondContact N-O 3.38Å; S535-K547 PolarHBondContact O-N 3.33Å; K547-E554 HydrophobicContact CB-CB 4.09Å; K547-E554 HydrophobicContact CD-CB 3.84Å; K547-Y555 CarbonylContact C-O 3.55Å; K547-Y555 WeakPolarHBondContact CA-O 2.87Å; K547-Y555 WeakPolarHBondContact CB-O 3.38Å; K547-Y555 WeakPolarHBondContact CG-O 3.3Å; K547-D556 WeakPolarHBondContact CE-OD1 3.25Å; K547-D556 IonicContact NZ-OD1 2.63Å; K547-D556 PolarHBondContact NZ-OD1 2.94Å; K547-D556 IonicContact NZ-OD2 2.67Å; K547-D556 PolarHBondContact NZ-OD2 2.88Å; K547-D556 VanDerWaalsContact NZ-OD2 3.14Å
548	H	88.5	Confident	80.5	Confident	3 Å²	3	47.7 Å²	47.7	1%	0.014	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.7	175	-71.9	-96.6	0	0	0	110.7	G530 D531 C542 C544 E554 Y555 L558	G530-H548 PolarHBondContact O-ND1 2.73Å; D531-H548 CarbonylContact O-C 2.72Å; D531-H548 VanDerWaalsContact O-CA 3.3Å; D531-H548 WeakPolarHBondContact O-CA 3.23Å; C542-H548 PolarHBondContact SG-NE2 2.88Å; C544-H548 PolarHBondContact SG-NE2 2.92Å; H548-E554 CarbonylContact O-C 3.59Å; H548-E554 WeakPolarHBondContact O-CA 3.23Å; H548-Y555 PolarHBondContact N-O 3.19Å; H548-Y555 PolarHBondContact O-N 3.38Å; H548-L558 HydrophobicContact CB-CD2 3.83Å; H548-L558 HydrophobicContact CB-CG 4.28Å
549	Y	91.8	Very high	81.5	Confident	62 Å²	62	40 Å²	40	24%	0.243	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	138.5	177.2	-176.1	-95.1	0	0	0	111.3	Y527 D529 G530 D531 K553	Y527-Y549 VanDerWaalsContact CB-CG 3.41Å; Y527-Y549 AromaticContact CD2-CD2 3.9Å; Y527-Y549 HydrophobicContact CD2-CD2 3.9Å; Y527-Y549 HydrophobicContact CD2-CE2 4.43Å; Y527-Y549 HydrophobicContact CD2-CG 4.24Å; Y527-Y549 HydrophobicContact CG-CD2 4.25Å; Y527-Y549 HydrophobicContact CG-CG 4.13Å; D529-Y549 WeakPolarHBondContact CA-O 3.41Å; G530-Y549 PolarHBondContact N-O 3.29Å; D531-Y549 PolarHBondContact O-N 2.99Å; Y549-K553 CarbonylContact C-O 3.55Å; Y549-K553 WeakPolarHBondContact CA-O 3.43Å
550	W	92.1	Very high	82.6	Confident	20 Å²	20	39.2 Å²	39.2	8%	0.076	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	137.2	171.4	-155.2	-71	0	0	0	112.5	D529 G552 K553 Y555 L558 P559 Y578 F580 V636 I638	D529-W550 HydrophobicContact CB-CD2 3.82Å; D529-W550 HydrophobicContact CB-CE3 4.04Å; D529-W550 HydrophobicContact CB-CG 4.22Å; D529-W550 HydrophobicContact CB-CH2 4.45Å; D529-W550 HydrophobicContact CB-CZ2 4.25Å; D529-W550 HydrophobicContact CB-CZ3 4.36Å; D529-W550 VanDerWaalsContact OD1-CA 3.3Å; D529-W550 WeakPolarHBondContact OD1-CA 3.43Å; W550-G552 PolarHBondContact O-N 2.91Å; W550-K553 PolarHBondContact N-O 3.29Å; W550-K553 PolarHBondContact O-N 3.41Å; W550-Y555 HydrophobicContact CB-CD2 3.81Å; W550-Y555 HydrophobicContact CB-CE2 3.78Å; W550-L558 HydrophobicContact CZ3-CD2 4.46Å; W550-P559 HydrophobicContact CD2-CG 3.94Å; W550-P559 HydrophobicContact CE3-CG 3.61Å; W550-P559 HydrophobicContact CH2-CG 3.64Å; W550-P559 HydrophobicContact CZ2-CG 3.98Å; W550-P559 HydrophobicContact CZ3-CG 3.43Å; W550-P559 VanDerWaalsContact CZ3-CG 3.43Å; W550-Y578 AromaticContact CH2-CD1 3.58Å; W550-Y578 HydrophobicContact CH2-CD1 3.58Å; W550-Y578 AromaticContact CH2-CE1 3.71Å; W550-Y578 HydrophobicContact CH2-CE1 3.71Å; W550-Y578 HydrophobicContact CH2-CG 4.16Å; W550-Y578 AromaticContact CZ2-CD1 3.34Å; W550-Y578 HydrophobicContact CZ2-CD1 3.34Å; W550-Y578 AromaticContact CZ2-CD2 3.82Å; W550-Y578 HydrophobicContact CZ2-CD2 3.82Å; W550-Y578 AromaticContact CZ2-CE1 3.62Å; W550-Y578 HydrophobicContact CZ2-CE1 3.62Å; W550-Y578 HydrophobicContact CZ2-CE2 4.07Å; W550-Y578 AromaticContact CZ2-CG 3.44Å; W550-Y578 HydrophobicContact CZ2-CG 3.44Å; W550-Y578 VanDerWaalsContact CZ2-CG 3.44Å; W550-Y578 AromaticContact CZ2-CZ 3.97Å; W550-F580 HydrophobicContact CB-CE1 4.42Å; W550-F580 HydrophobicContact CB-CE2 4.5Å; W550-F580 HydrophobicContact CB-CZ 3.66Å; W550-F580 AromaticContact CD1-CZ 3.95Å; W550-F580 AromaticContact CD2-CZ 3.84Å; W550-F580 HydrophobicContact CD2-CZ 3.84Å; W550-F580 HydrophobicContact CE3-CZ 4.27Å; W550-F580 HydrophobicContact CG-CE2 4.13Å; W550-F580 AromaticContact CG-CZ 3.52Å; W550-F580 HydrophobicContact CG-CZ 3.52Å; W550-V636 HydrophobicContact CH2-CG1 3.83Å; W550-V636 HydrophobicContact CZ3-CG1 3.73Å; W550-I638 HydrophobicContact CH2-CD1 3.62Å; W550-I638 HydrophobicContact CZ3-CD1 3.42Å; W550-I638 VanDerWaalsContact CZ3-CD1 3.42Å
551	D	87.6	Confident	83.4	Confident	100 Å²	100	38.5 Å²	38.5	54%	0.535	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	45	42	174.2	-167.2	27.4	0	0	0	112.9	D529 K553 K598	D529-D551 PolarHBondContact OD1-N 2.91Å; D551-K553 PolarHBondContact O-N 3.13Å; D551-K598 IonicContact OD2-NZ 3.26Å; D551-K598 PolarHBondContact OD2-NZ 2.96Å
552	G	87.7	Confident	83.9	Confident	54 Å²	54	35.7 Å²	35.7	56%	0.557	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.4	6.3	179.7	0	0	0	0	0	116.7	W550	W550-G552 PolarHBondContact O-N 2.91Å
553	K	90.2	Very high	84.7	Confident	107 Å²	107	39.1 Å²	39.1	47%	0.465	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	169	-176.1	-64	180	179.3	-175.9	0	112.5	Y549 W550 D551 Y555 L588	Y549-K553 CarbonylContact C-O 3.55Å; Y549-K553 WeakPolarHBondContact CA-O 3.43Å; W550-K553 PolarHBondContact N-O 3.29Å; W550-K553 PolarHBondContact O-N 3.41Å; D551-K553 PolarHBondContact O-N 3.13Å; K553-Y555 HydrophobicContact CB-CD2 4.3Å; K553-Y555 HydrophobicContact CB-CE2 3.67Å; K553-Y555 HydrophobicContact CD-CE2 4.46Å; K553-L588 HydrophobicContact CD-CD2 4.11Å
554	E	91.3	Very high	85.9	Confident	66 Å²	66	35.9 Å²	35.9	31%	0.308	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.2	172.6	-62.1	-166.5	134.8	0	0	111.2	T533 S535 K547 H548	T533-E554 WeakPolarHBondContact CB-OE1 3.22Å; T533-E554 HydrophobicContact CG2-CG 4.21Å; T533-E554 WeakPolarHBondContact CG2-OE1 3.31Å; T533-E554 PolarHBondContact OG1-OE1 3.44Å; S535-E554 WeakPolarHBondContact CB-OE2 3.27Å; S535-E554 VanDerWaalsContact OG-CD 3.27Å; S535-E554 PolarHBondContact OG-OE1 2.94Å; S535-E554 PolarHBondContact OG-OE2 3.12Å; K547-E554 HydrophobicContact CB-CB 4.09Å; K547-E554 HydrophobicContact CD-CB 3.84Å; H548-E554 CarbonylContact O-C 3.59Å; H548-E554 WeakPolarHBondContact O-CA 3.23Å
555	Y	90.4	Very high	87.1	Confident	17 Å²	17	37.5 Å²	37.5	7%	0.067	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	149.3	-177.4	-67.7	-92.4	0	0	0	111.3	K547 H548 W550 K553 N557 F580 E583 L588	K547-Y555 CarbonylContact C-O 3.55Å; K547-Y555 WeakPolarHBondContact CA-O 2.87Å; K547-Y555 WeakPolarHBondContact CB-O 3.38Å; K547-Y555 WeakPolarHBondContact CG-O 3.3Å; H548-Y555 PolarHBondContact N-O 3.19Å; H548-Y555 PolarHBondContact O-N 3.38Å; W550-Y555 HydrophobicContact CB-CD2 3.81Å; W550-Y555 HydrophobicContact CB-CE2 3.78Å; K553-Y555 HydrophobicContact CB-CD2 4.3Å; K553-Y555 HydrophobicContact CB-CE2 3.67Å; K553-Y555 HydrophobicContact CD-CE2 4.46Å; Y555-N557 VanDerWaalsContact C-N 3.25Å; Y555-N557 WeakPolarHBondContact CB-O 3.17Å; Y555-F580 HydrophobicContact CD1-CB 4.27Å; Y555-F580 AromaticContact CD1-CD1 3.24Å; Y555-F580 HydrophobicContact CD1-CD1 3.24Å; Y555-F580 HydrophobicContact CD1-CD2 4.36Å; Y555-F580 AromaticContact CD1-CE1 3.52Å; Y555-F580 HydrophobicContact CD1-CE1 3.52Å; Y555-F580 AromaticContact CD1-CG 3.7Å; Y555-F580 HydrophobicContact CD1-CG 3.7Å; Y555-F580 HydrophobicContact CD1-CZ 4.21Å; Y555-F580 HydrophobicContact CD2-CD1 4.24Å; Y555-F580 AromaticContact CD2-CE1 3.63Å; Y555-F580 HydrophobicContact CD2-CE1 3.63Å; Y555-F580 AromaticContact CD2-CZ 3.85Å; Y555-F580 HydrophobicContact CD2-CZ 3.85Å; Y555-F580 HydrophobicContact CE1-CB 4.14Å; Y555-F580 AromaticContact CE1-CD1 3.61Å; Y555-F580 HydrophobicContact CE1-CD1 3.61Å; Y555-F580 AromaticContact CE1-CD2 3.87Å; Y555-F580 HydrophobicContact CE1-CD2 3.87Å; Y555-F580 AromaticContact CE1-CE1 3.9Å; Y555-F580 HydrophobicContact CE1-CE1 3.9Å; Y555-F580 HydrophobicContact CE1-CE2 4.15Å; Y555-F580 AromaticContact CE1-CG 3.58Å; Y555-F580 HydrophobicContact CE1-CG 3.58Å; Y555-F580 HydrophobicContact CE1-CZ 4.17Å; Y555-F580 HydrophobicContact CE2-CE1 4.02Å; Y555-F580 HydrophobicContact CE2-CE2 4.2Å; Y555-F580 AromaticContact CE2-CZ 3.83Å; Y555-F580 HydrophobicContact CE2-CZ 3.83Å; Y555-F580 AromaticContact CG-CD1 3.58Å; Y555-F580 HydrophobicContact CG-CD1 3.58Å; Y555-F580 AromaticContact CG-CE1 3.35Å; Y555-F580 HydrophobicContact CG-CE1 3.35Å; Y555-F580 HydrophobicContact CG-CG 4.4Å; Y555-F580 HydrophobicContact CG-CZ 4.04Å; Y555-F580 AromaticContact CZ-CE2 3.95Å; Y555-F580 AromaticContact CZ-CZ 3.99Å; Y555-E583 VanDerWaalsContact CA-OE2 3.25Å; Y555-E583 WeakPolarHBondContact CA-OE2 3.4Å; Y555-E583 HydrophobicContact CD1-CG 4.19Å; Y555-L588 HydrophobicContact CD1-CB 3.96Å; Y555-L588 HydrophobicContact CD1-CD1 4.4Å; Y555-L588 HydrophobicContact CE1-CB 3.83Å; Y555-L588 HydrophobicContact CE1-CD2 4.25Å; Y555-L588 HydrophobicContact CE1-CG 4.48Å; Y555-L588 WeakPolarHBondContact CE1-O 3.31Å
556	D	85.8	Confident	87.9	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.021	20%	0.199	C	C	.	.	S	Bend	trans	-70	-24.9	170.1	-72.6	-45.8	0	0	0	112.7	S537 G539 K547 E583 T584	S537-D556 VanDerWaalsContact CA-OD1 3.3Å; S537-D556 WeakPolarHBondContact CA-OD1 3.26Å; S537-D556 VanDerWaalsContact CB-OD1 3.23Å; S537-D556 WeakPolarHBondContact CB-OD1 3.35Å; S537-D556 PolarHBondContact OG-OD1 2.84Å; G539-D556 WeakPolarHBondContact O-CB 3.25Å; K547-D556 WeakPolarHBondContact CE-OD1 3.25Å; K547-D556 IonicContact NZ-OD1 2.63Å; K547-D556 PolarHBondContact NZ-OD1 2.94Å; K547-D556 IonicContact NZ-OD2 2.67Å; K547-D556 PolarHBondContact NZ-OD2 2.88Å; K547-D556 VanDerWaalsContact NZ-OD2 3.14Å; D556-E583 PolarHBondContact N-OE1 3.09Å; D556-E583 VanDerWaalsContact N-OE1 3.17Å; D556-E583 PolarHBondContact N-OE2 2.84Å; D556-T584 WeakPolarHBondContact OD2-CB 3.4Å; D556-T584 PolarHBondContact OD2-N 2.72Å; D556-T584 PolarHBondContact OD2-OG1 2.76Å
557	N	85.9	Confident	88.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-126.6	146.9	-175.5	-56.5	-87.7	0	0	0	111.2	K541 C542 Y555 F580 Q581 Y582 E583 Y633	K541-N557 PolarHBondContact N-OD1 3.14Å; C542-N557 PolarHBondContact N-OD1 3.12Å; Y555-N557 VanDerWaalsContact C-N 3.25Å; Y555-N557 WeakPolarHBondContact CB-O 3.17Å; N557-F580 WeakPolarHBondContact O-CE1 3.05Å; N557-Q581 PolarHBondContact ND2-O 3.06Å; N557-Y582 PolarHBondContact ND2-O 3.27Å; N557-E583 VanDerWaalsContact CB-OE1 3.31Å; N557-E583 WeakPolarHBondContact CB-OE1 3.13Å; N557-E583 PolarHBondContact N-OE1 2.79Å; N557-E583 PolarHBondContact ND2-OE1 3.35Å; N557-Y633 HydrophobicContact CB-CE2 4.2Å; N557-Y633 WeakPolarHBondContact CB-OH 3.41Å
558	L	88	Confident	87.8	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-68.7	146	159	-74.4	173.2	0	0	0	109.9	H548 W550 Y633 P635 H642	H548-L558 HydrophobicContact CB-CD2 3.83Å; H548-L558 HydrophobicContact CB-CG 4.28Å; W550-L558 HydrophobicContact CZ3-CD2 4.46Å; L558-Y633 PolarHBondContact N-OH 3.43Å; L558-Y633 WeakPolarHBondContact O-CE2 3.42Å; L558-Y633 PolarHBondContact O-OH 2.77Å; L558-P635 HydrophobicContact CB-CB 3.46Å; L558-P635 VanDerWaalsContact CB-CB 3.46Å; L558-P635 HydrophobicContact CB-CG 4.43Å; L558-P635 HydrophobicContact CD1-CB 4.31Å; L558-H642 VanDerWaalsContact CD1-NE2 3.31Å; L558-H642 WeakPolarHBondContact CD1-NE2 3.33Å
559	P	89.8	Confident	87.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-71.5	152.1	179.6	28.8	-31.7	0	0	0	111.3	W550 Y578 W579 F580 P635 V636	W550-P559 HydrophobicContact CD2-CG 3.94Å; W550-P559 HydrophobicContact CE3-CG 3.61Å; W550-P559 HydrophobicContact CH2-CG 3.64Å; W550-P559 HydrophobicContact CZ2-CG 3.98Å; W550-P559 HydrophobicContact CZ3-CG 3.43Å; W550-P559 VanDerWaalsContact CZ3-CG 3.43Å; P559-Y578 HydrophobicContact CG-CD1 4.21Å; P559-W579 CarbonylContact C-O 3.42Å; P559-W579 WeakPolarHBondContact CA-O 3.49Å; P559-F580 HydrophobicContact CB-CD1 4.06Å; P559-F580 HydrophobicContact CB-CD2 4.01Å; P559-F580 HydrophobicContact CB-CE1 3.82Å; P559-F580 HydrophobicContact CB-CE2 3.76Å; P559-F580 HydrophobicContact CB-CG 4.16Å; P559-F580 HydrophobicContact CB-CZ 3.65Å; P559-F580 VanDerWaalsContact CD-CE1 3.5Å; P559-F580 HydrophobicContact CG-CE1 3.92Å; P559-F580 HydrophobicContact CG-CE2 4.04Å; P559-F580 HydrophobicContact CG-CZ 3.57Å; P559-P635 CarbonylContact O-C 3.09Å; P559-P635 WeakPolarHBondContact O-CA 3.42Å; P559-V636 HydrophobicContact CG-CG1 4Å; P559-V636 WeakPolarHBondContact O-CG1 3.34Å; P559-V636 PolarHBondContact O-N 3.12Å
560	E	88.9	Confident	86.5	Confident	15 Å²	15	44.9 Å²	44.9	7%	0.07	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	134	158	-62.3	-148.2	125.1	0	0	109.1	W579 K627 N634 R1119	E560-W579 PolarHBondContact N-O 2.75Å; E560-W579 PolarHBondContact O-N 3.47Å; E560-K627 IonicContact OE1-NZ 3.69Å; E560-K627 IonicContact OE2-NZ 2.78Å; E560-K627 PolarHBondContact OE2-NZ 2.9Å; E560-N634 WeakPolarHBondContact CG-O 3.47Å; E560-N634 PolarHBondContact OE1-N 3.03Å; E560-R1119 IonicContact OE1-CZ 3.68Å; E560-R1119 IonicContact OE1-NH1 2.75Å; E560-R1119 PolarHBondContact OE1-NH1 3.47Å; E560-R1119 IonicContact OE2-NH1 3.84Å
561	A	88.2	Confident	86.1	Confident	25 Å²	25	50.9 Å²	50.9	21%	0.207	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	136.9	171.8	0	0	0	0	0	110.6	T576 V577 Y578 V636	A561-T576 HydrophobicContact CB-CG2 3.99Å; A561-V577 WeakPolarHBondContact CA-O 3.45Å; A561-Y578 HydrophobicContact CB-CD1 3.9Å; A561-Y578 HydrophobicContact CB-CE1 3.91Å; A561-V636 HydrophobicContact CB-CB 3.87Å; A561-V636 HydrophobicContact CB-CG2 3.82Å
562	F	86.6	Confident	86	Confident	12 Å²	12	50.5 Å²	50.5	5%	0.053	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	138.9	168	52.3	-92.2	0	0	0	112.3	I564 V577 W579 I621 H624 T625	F562-I564 HydrophobicContact CD2-CG2 3.87Å; F562-I564 HydrophobicContact CE2-CG2 3.94Å; F562-V577 HydrophobicContact CD2-CB 4.06Å; F562-V577 HydrophobicContact CE1-CB 4.48Å; F562-V577 HydrophobicContact CE1-CG1 4.27Å; F562-V577 HydrophobicContact CE2-CB 3.66Å; F562-V577 HydrophobicContact CE2-CG1 3.94Å; F562-V577 HydrophobicContact CE2-CG2 4.11Å; F562-V577 HydrophobicContact CZ-CB 3.9Å; F562-V577 HydrophobicContact CZ-CG1 3.68Å; F562-V577 PolarHBondContact N-O 2.77Å; F562-V577 PolarHBondContact O-N 3.45Å; F562-W579 HydrophobicContact CE1-CB 3.64Å; F562-W579 HydrophobicContact CE1-CG 4.01Å; F562-W579 HydrophobicContact CZ-CB 4.3Å; F562-W579 HydrophobicContact CZ-CG 4.49Å; F562-I621 HydrophobicContact CZ-CG2 4.16Å; F562-H624 HydrophobicContact CD1-CB 4.5Å; F562-H624 HydrophobicContact CD2-CB 3.54Å; F562-H624 AromaticContact CD2-CG 3.68Å; F562-H624 AromaticContact CD2-ND1 3.57Å; F562-H624 HydrophobicContact CE1-CB 4.46Å; F562-H624 HydrophobicContact CE2-CB 3.5Å; F562-H624 HydrophobicContact CG-CB 4.07Å; F562-H624 AromaticContact CG-ND1 3.98Å; F562-H624 HydrophobicContact CZ-CB 4Å; F562-T625 HydrophobicContact CE1-CG2 3.85Å; F562-T625 HydrophobicContact CZ-CG2 3.62Å
563	P	88.1	Confident	85.9	Confident	94 Å²	94	49 Å²	49	61%	0.61	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	139.8	175.1	31.3	-34.1	0	0	0	110.7	H624	P563-H624 PolarHBondContact O-CE1 3.46Å
564	I	88	Confident	85.8	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	153.2	168.6	63	170.2	0	0	0	110.1	F562 L566 R574 E575 V577 L599 T620	F562-I564 HydrophobicContact CD2-CG2 3.87Å; F562-I564 HydrophobicContact CE2-CG2 3.94Å; I564-L566 HydrophobicContact CD1-CD1 4.01Å; I564-L566 HydrophobicContact CD1-CD2 3.88Å; I564-L566 HydrophobicContact CD1-CG 3.88Å; I564-L566 HydrophobicContact CG1-CG 4.37Å; I564-R574 WeakPolarHBondContact O-CA 3.46Å; I564-E575 HydrophobicContact CG1-CB 4.49Å; I564-E575 WeakPolarHBondContact CG1-O 3.46Å; I564-E575 PolarHBondContact N-O 3.33Å; I564-E575 PolarHBondContact O-N 3.32Å; I564-E575 VanDerWaalsContact O-N 3.16Å; I564-V577 HydrophobicContact CD1-CG2 3.6Å; I564-V577 HydrophobicContact CG1-CG2 3.92Å; I564-V577 HydrophobicContact CG2-CG2 3.97Å; I564-L599 HydrophobicContact CD1-CD1 3.64Å; I564-L599 HydrophobicContact CD1-CD2 4.27Å; I564-T620 HydrophobicContact CB-CG2 4.27Å; I564-T620 HydrophobicContact CG2-CG2 4.13Å
565	T	85.8	Confident	85.6	Confident	80 Å²	80	51.9 Å²	51.9	49%	0.491	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.2	168.6	-60.3	0	0	0	0	109	V572 V573 R574	T565-V572 HydrophobicContact CG2-CG1 3.65Å; T565-V573 CarbonylContact C-O 3.17Å; T565-V573 WeakPolarHBondContact CA-O 3.29Å; T565-R574 HydrophobicContact CG2-CG 4.49Å
566	L	85.6	Confident	85.6	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.037	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	131.8	179.4	-61.8	-173.8	0	0	0	110	I564 V572 V573 L599 F604 V617	I564-L566 HydrophobicContact CD1-CD1 4.01Å; I564-L566 HydrophobicContact CD1-CD2 3.88Å; I564-L566 HydrophobicContact CD1-CG 3.88Å; I564-L566 HydrophobicContact CG1-CG 4.37Å; L566-V572 CarbonylContact O-C 3.49Å; L566-V572 WeakPolarHBondContact O-CA 3.49Å; L566-V573 HydrophobicContact CB-CB 4.46Å; L566-V573 PolarHBondContact N-O 2.9Å; L566-V573 PolarHBondContact O-N 2.82Å; L566-L599 HydrophobicContact CD1-CB 4.19Å; L566-F604 HydrophobicContact CB-CE2 4.14Å; L566-F604 HydrophobicContact CB-CZ 4.32Å; L566-F604 HydrophobicContact CD1-CE2 4.4Å; L566-V617 HydrophobicContact CD1-CG1 4.39Å; L566-V617 HydrophobicContact CD1-CG2 4.09Å; L566-V617 HydrophobicContact CD2-CB 4.37Å; L566-V617 HydrophobicContact CD2-CG1 4.15Å; L566-V617 HydrophobicContact CD2-CG2 3.76Å
567	E	82.4	Confident	85.7	Confident	110 Å²	110	53.8 Å²	53.8	51%	0.514	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.7	-178.2	177	-155	-154.1	0	0	109.5	R571 V572 K616	E567-R571 WeakPolarHBondContact CA-O 3.18Å; E567-V572 HydrophobicContact CB-CG2 4.45Å; E567-V572 HydrophobicContact CG-CG2 4.19Å; E567-K616 PolarHBondContact O-NZ 3.16Å; E567-K616 IonicContact OE2-NZ 4Å; E567-K616 PolarHBondContact OE2-NZ 3.39Å
568	W	80.9	Confident	85.9	Confident	69 Å²	69	58.6 Å²	58.6	26%	0.261	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	139.2	175.4	-170	-103.8	0	0	0	110.5	G570 R571 F604 E607 S610 I612 L613	W568-G570 PolarHBondContact O-N 2.86Å; W568-G570 VanDerWaalsContact O-N 3.14Å; W568-R571 PolarHBondContact N-O 3.35Å; W568-R571 VanDerWaalsContact N-O 3.07Å; W568-R571 WeakPolarHBondContact O-CB 3.45Å; W568-R571 PolarHBondContact O-N 2.99Å; W568-F604 HydrophobicContact CB-CD1 4.12Å; W568-F604 HydrophobicContact CB-CE1 3.7Å; W568-F604 HydrophobicContact CB-CZ 4.11Å; W568-E607 VanDerWaalsContact NE1-CD 3.33Å; W568-E607 PolarHBondContact NE1-OE2 2.9Å; W568-S610 WeakPolarHBondContact CZ2-OG 3.35Å; W568-I612 HydrophobicContact CH2-CB 4.14Å; W568-I612 HydrophobicContact CH2-CG2 3.95Å; W568-I612 HydrophobicContact CZ3-CG2 4.14Å; W568-L613 HydrophobicContact CB-CD1 3.87Å; W568-L613 HydrophobicContact CB-CD2 4.39Å; W568-L613 HydrophobicContact CD2-CB 4Å; W568-L613 HydrophobicContact CD2-CD1 3.81Å; W568-L613 HydrophobicContact CD2-CD2 4.08Å; W568-L613 HydrophobicContact CD2-CG 4.17Å; W568-L613 HydrophobicContact CE3-CB 3.99Å; W568-L613 HydrophobicContact CE3-CD1 3.78Å; W568-L613 HydrophobicContact CE3-CG 4.35Å; W568-L613 HydrophobicContact CG-CD1 3.88Å; W568-L613 HydrophobicContact CG-CD2 3.89Å; W568-L613 HydrophobicContact CG-CG 4.35Å; W568-L613 HydrophobicContact CH2-CB 4.06Å; W568-L613 HydrophobicContact CZ2-CB 4.07Å; W568-L613 HydrophobicContact CZ3-CB 4.01Å
569	G	76.2	Confident	86.1	Confident	82 Å²	82	59.2 Å²	59.2	85%	0.845	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	27.3	176.5	0	0	0	0	0	115.5	R571	G569-R571 PolarHBondContact O-N 3.36Å
570	G	77.6	Confident	86.1	Confident	77 Å²	77	59.7 Å²	59.7	79%	0.794	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	0.8	-173.5	0	0	0	0	0	115	W568	W568-G570 PolarHBondContact O-N 2.86Å; W568-G570 VanDerWaalsContact O-N 3.14Å
571	R	82.2	Confident	85.9	Confident	147 Å²	147	61.9 Å²	61.9	56%	0.555	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	123.6	174.3	-164.7	-175.3	-156	-167.4	10.8	109.7	E567 W568 G569 H603 F604	E567-R571 WeakPolarHBondContact CA-O 3.18Å; W568-R571 PolarHBondContact N-O 3.35Å; W568-R571 VanDerWaalsContact N-O 3.07Å; W568-R571 WeakPolarHBondContact O-CB 3.45Å; W568-R571 PolarHBondContact O-N 2.99Å; G569-R571 PolarHBondContact O-N 3.36Å; R571-H603 PolarHBondContact NH1-O 3.17Å; R571-F604 HydrophobicContact CB-CE1 4.26Å
572	V	85.6	Confident	85.8	Confident	92 Å²	92	64.3 Å²	64.3	56%	0.558	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	136.5	174.7	-177.5	0	0	0	0	109.5	T565 L566 E567	T565-V572 HydrophobicContact CG2-CG1 3.65Å; L566-V572 CarbonylContact O-C 3.49Å; L566-V572 WeakPolarHBondContact O-CA 3.49Å; E567-V572 HydrophobicContact CB-CG2 4.45Å; E567-V572 HydrophobicContact CG-CG2 4.19Å
573	V	86.9	Confident	85.8	Confident	21 Å²	21	64.3 Å²	64.3	13%	0.127	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.7	-179.4	176.7	0	0	0	0	108.7	T565 L566 H603 F604	T565-V573 CarbonylContact C-O 3.17Å; T565-V573 WeakPolarHBondContact CA-O 3.29Å; L566-V573 HydrophobicContact CB-CB 4.46Å; L566-V573 PolarHBondContact N-O 2.9Å; L566-V573 PolarHBondContact O-N 2.82Å; V573-H603 HydrophobicContact CG1-CB 4.14Å; V573-H603 WeakPolarHBondContact CG1-ND1 3.46Å; V573-H603 HydrophobicContact CG2-CB 4.31Å; V573-F604 HydrophobicContact CG2-CZ 4.03Å
574	R	87.1	Confident	85.7	Confident	182 Å²	182	63.8 Å²	63.8	69%	0.687	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.9	167.8	-66	-179.5	179.6	174.5	-0.2	108.6	I564 T565	I564-R574 WeakPolarHBondContact O-CA 3.46Å; T565-R574 HydrophobicContact CG2-CG 4.49Å
575	E	88.3	Confident	85.7	Confident	52 Å²	52	67.1 Å²	67.1	24%	0.243	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	149	-176.8	-178.1	67.5	-162.6	0	0	109	I564 L599 K602 H603	I564-E575 HydrophobicContact CG1-CB 4.49Å; I564-E575 WeakPolarHBondContact CG1-O 3.46Å; I564-E575 PolarHBondContact N-O 3.33Å; I564-E575 PolarHBondContact O-N 3.32Å; I564-E575 VanDerWaalsContact O-N 3.16Å; E575-L599 HydrophobicContact CB-CD2 4.36Å; E575-L599 HydrophobicContact CG-CD2 3.6Å; E575-K602 IonicContact OE1-NZ 3.37Å; E575-K602 PolarHBondContact OE1-NZ 2.92Å; E575-K602 IonicContact OE2-NZ 3.59Å; E575-K602 PolarHBondContact OE2-NZ 2.92Å; E575-K602 VanDerWaalsContact OE2-NZ 3.13Å; E575-H603 IonicContact OE2-CE1 2.97Å; E575-H603 PolarHBondContact OE2-CE1 3.12Å; E575-H603 IonicContact OE2-NE2 2.71Å; E575-H603 PolarHBondContact OE2-NE2 3.22Å
576	T	89.1	Confident	85.7	Confident	57 Å²	57	68.1 Å²	68.1	35%	0.35	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.1	176.4	-60	0	0	0	0	110	A561 Y578	A561-T576 HydrophobicContact CB-CG2 3.99Å; T576-Y578 HydrophobicContact CG2-CE1 4.1Å; T576-Y578 HydrophobicContact CG2-CE2 4.4Å
577	V	88.9	Confident	85.9	Confident	5 Å²	5	73.1 Å²	73.1	3%	0.03	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129	171.8	178.1	0	0	0	0	109.1	A561 F562 I564 W579 V595 L599	A561-V577 WeakPolarHBondContact CA-O 3.45Å; F562-V577 HydrophobicContact CD2-CB 4.06Å; F562-V577 HydrophobicContact CE1-CB 4.48Å; F562-V577 HydrophobicContact CE1-CG1 4.27Å; F562-V577 HydrophobicContact CE2-CB 3.66Å; F562-V577 HydrophobicContact CE2-CG1 3.94Å; F562-V577 HydrophobicContact CE2-CG2 4.11Å; F562-V577 HydrophobicContact CZ-CB 3.9Å; F562-V577 HydrophobicContact CZ-CG1 3.68Å; F562-V577 PolarHBondContact N-O 2.77Å; F562-V577 PolarHBondContact O-N 3.45Å; I564-V577 HydrophobicContact CD1-CG2 3.6Å; I564-V577 HydrophobicContact CG1-CG2 3.92Å; I564-V577 HydrophobicContact CG2-CG2 3.97Å; V577-W579 HydrophobicContact CG1-CE3 4.49Å; V577-V595 HydrophobicContact CG1-CG1 3.85Å; V577-L599 HydrophobicContact CG2-CD1 4.04Å
578	Y	90.3	Very high	86.2	Confident	100 Å²	100	69.2 Å²	69.2	39%	0.392	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.4	167.5	-58.7	-75.5	0	0	0	108.8	W550 P559 A561 T576 V636	W550-Y578 AromaticContact CH2-CD1 3.58Å; W550-Y578 HydrophobicContact CH2-CD1 3.58Å; W550-Y578 AromaticContact CH2-CE1 3.71Å; W550-Y578 HydrophobicContact CH2-CE1 3.71Å; W550-Y578 HydrophobicContact CH2-CG 4.16Å; W550-Y578 AromaticContact CZ2-CD1 3.34Å; W550-Y578 HydrophobicContact CZ2-CD1 3.34Å; W550-Y578 AromaticContact CZ2-CD2 3.82Å; W550-Y578 HydrophobicContact CZ2-CD2 3.82Å; W550-Y578 AromaticContact CZ2-CE1 3.62Å; W550-Y578 HydrophobicContact CZ2-CE1 3.62Å; W550-Y578 HydrophobicContact CZ2-CE2 4.07Å; W550-Y578 AromaticContact CZ2-CG 3.44Å; W550-Y578 HydrophobicContact CZ2-CG 3.44Å; W550-Y578 VanDerWaalsContact CZ2-CG 3.44Å; W550-Y578 AromaticContact CZ2-CZ 3.97Å; P559-Y578 HydrophobicContact CG-CD1 4.21Å; A561-Y578 HydrophobicContact CB-CD1 3.9Å; A561-Y578 HydrophobicContact CB-CE1 3.91Å; T576-Y578 HydrophobicContact CG2-CE1 4.1Å; T576-Y578 HydrophobicContact CG2-CE2 4.4Å; Y578-V636 HydrophobicContact CE1-CG2 4.21Å
579	W	90.6	Very high	86.6	Confident	15 Å²	15	68.4 Å²	68.4	6%	0.057	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	113.4	-166.4	-174.1	-101.2	0	0	0	111.7	P559 E560 F562 V577 Q581 S590 V592 V595 I621 T625	P559-W579 CarbonylContact C-O 3.42Å; P559-W579 WeakPolarHBondContact CA-O 3.49Å; E560-W579 PolarHBondContact N-O 2.75Å; E560-W579 PolarHBondContact O-N 3.47Å; F562-W579 HydrophobicContact CE1-CB 3.64Å; F562-W579 HydrophobicContact CE1-CG 4.01Å; F562-W579 HydrophobicContact CZ-CB 4.3Å; F562-W579 HydrophobicContact CZ-CG 4.49Å; V577-W579 HydrophobicContact CG1-CE3 4.49Å; W579-Q581 VanDerWaalsContact NE1-CD 3.28Å; W579-S590 WeakPolarHBondContact CH2-O 3.44Å; W579-S590 WeakPolarHBondContact CZ2-O 2.95Å; W579-V592 HydrophobicContact CH2-CB 4.06Å; W579-V592 HydrophobicContact CZ3-CB 4.46Å; W579-V595 HydrophobicContact CE3-CG2 4.46Å; W579-V595 HydrophobicContact CZ3-CG2 4.23Å; W579-I621 HydrophobicContact CE3-CG2 4.13Å; W579-I621 HydrophobicContact CH2-CG2 4.35Å; W579-I621 HydrophobicContact CZ3-CG2 3.84Å; W579-T625 HydrophobicContact CD2-CG2 3.59Å; W579-T625 HydrophobicContact CE3-CG2 4.16Å; W579-T625 HydrophobicContact CG-CG2 3.92Å; W579-T625 HydrophobicContact CH2-CG2 4.36Å; W579-T625 HydrophobicContact CZ2-CG2 3.8Å
580	F	90.1	Very high	87.2	Confident	9 Å²	9	65.7 Å²	65.7	4%	0.039	35%	0.348	C	S	.	.			trans	-92.8	129.9	-179.2	-69	-87.3	0	0	0	111.3	W550 Y555 N557 P559 N589 S590	W550-F580 HydrophobicContact CB-CE1 4.42Å; W550-F580 HydrophobicContact CB-CE2 4.5Å; W550-F580 HydrophobicContact CB-CZ 3.66Å; W550-F580 AromaticContact CD1-CZ 3.95Å; W550-F580 AromaticContact CD2-CZ 3.84Å; W550-F580 HydrophobicContact CD2-CZ 3.84Å; W550-F580 HydrophobicContact CE3-CZ 4.27Å; W550-F580 HydrophobicContact CG-CE2 4.13Å; W550-F580 AromaticContact CG-CZ 3.52Å; W550-F580 HydrophobicContact CG-CZ 3.52Å; Y555-F580 HydrophobicContact CD1-CB 4.27Å; Y555-F580 AromaticContact CD1-CD1 3.24Å; Y555-F580 HydrophobicContact CD1-CD1 3.24Å; Y555-F580 HydrophobicContact CD1-CD2 4.36Å; Y555-F580 AromaticContact CD1-CE1 3.52Å; Y555-F580 HydrophobicContact CD1-CE1 3.52Å; Y555-F580 AromaticContact CD1-CG 3.7Å; Y555-F580 HydrophobicContact CD1-CG 3.7Å; Y555-F580 HydrophobicContact CD1-CZ 4.21Å; Y555-F580 HydrophobicContact CD2-CD1 4.24Å; Y555-F580 AromaticContact CD2-CE1 3.63Å; Y555-F580 HydrophobicContact CD2-CE1 3.63Å; Y555-F580 AromaticContact CD2-CZ 3.85Å; Y555-F580 HydrophobicContact CD2-CZ 3.85Å; Y555-F580 HydrophobicContact CE1-CB 4.14Å; Y555-F580 AromaticContact CE1-CD1 3.61Å; Y555-F580 HydrophobicContact CE1-CD1 3.61Å; Y555-F580 AromaticContact CE1-CD2 3.87Å; Y555-F580 HydrophobicContact CE1-CD2 3.87Å; Y555-F580 AromaticContact CE1-CE1 3.9Å; Y555-F580 HydrophobicContact CE1-CE1 3.9Å; Y555-F580 HydrophobicContact CE1-CE2 4.15Å; Y555-F580 AromaticContact CE1-CG 3.58Å; Y555-F580 HydrophobicContact CE1-CG 3.58Å; Y555-F580 HydrophobicContact CE1-CZ 4.17Å; Y555-F580 HydrophobicContact CE2-CE1 4.02Å; Y555-F580 HydrophobicContact CE2-CE2 4.2Å; Y555-F580 AromaticContact CE2-CZ 3.83Å; Y555-F580 HydrophobicContact CE2-CZ 3.83Å; Y555-F580 AromaticContact CG-CD1 3.58Å; Y555-F580 HydrophobicContact CG-CD1 3.58Å; Y555-F580 AromaticContact CG-CE1 3.35Å; Y555-F580 HydrophobicContact CG-CE1 3.35Å; Y555-F580 HydrophobicContact CG-CG 4.4Å; Y555-F580 HydrophobicContact CG-CZ 4.04Å; Y555-F580 AromaticContact CZ-CE2 3.95Å; Y555-F580 AromaticContact CZ-CZ 3.99Å; N557-F580 WeakPolarHBondContact O-CE1 3.05Å; P559-F580 HydrophobicContact CB-CD1 4.06Å; P559-F580 HydrophobicContact CB-CD2 4.01Å; P559-F580 HydrophobicContact CB-CE1 3.82Å; P559-F580 HydrophobicContact CB-CE2 3.76Å; P559-F580 HydrophobicContact CB-CG 4.16Å; P559-F580 HydrophobicContact CB-CZ 3.65Å; P559-F580 VanDerWaalsContact CD-CE1 3.5Å; P559-F580 HydrophobicContact CG-CE1 3.92Å; P559-F580 HydrophobicContact CG-CE2 4.04Å; P559-F580 HydrophobicContact CG-CZ 3.57Å; F580-N589 WeakPolarHBondContact O-CA 3.37Å; F580-S590 PolarHBondContact N-OG 3.15Å; F580-S590 PolarHBondContact O-N 2.82Å
581	Q	85.7	Confident	87.9	Confident	62 Å²	62	65.5 Å²	65.5	29%	0.29	33%	0.329	S	S	.	.			trans	-143.6	162	172.9	-76.5	-171.9	-18.6	0	0	110.1	N557 W579 E583 N589	N557-Q581 PolarHBondContact ND2-O 3.06Å; W579-Q581 VanDerWaalsContact NE1-CD 3.28Å; Q581-E583 VanDerWaalsContact C-N 3.29Å; Q581-E583 PolarHBondContact O-N 3.07Å; Q581-N589 VanDerWaalsContact C-OD1 3.25Å; Q581-N589 WeakPolarHBondContact CA-OD1 3.29Å
582	Y	85.2	Confident	88.2	Confident	76 Å²	76	59.3 Å²	59.3	30%	0.298	31%	0.308	S	S	.	.	S	Bend	trans	67.3	24	177.7	-38.8	-73.8	0	0	0	114.5	K541 N557 N589 P630 E632 Y633	K541-Y582 HydrophobicContact CD-CD1 4.23Å; K541-Y582 HydrophobicContact CD-CD2 3.62Å; K541-Y582 HydrophobicContact CD-CE1 4.45Å; K541-Y582 HydrophobicContact CD-CE2 3.89Å; K541-Y582 HydrophobicContact CD-CG 3.81Å; K541-Y582 HydrophobicContact CG-CD2 4.26Å; K541-Y582 HydrophobicContact CG-CG 4.14Å; K541-Y582 PolarHBondContact NZ-OH 2.88Å; N557-Y582 PolarHBondContact ND2-O 3.27Å; Y582-N589 PolarHBondContact N-OD1 3.16Å; Y582-N589 VanDerWaalsContact N-OD1 3.07Å; Y582-P630 PolarHBondContact OH-O 2.73Å; Y582-P630 VanDerWaalsContact OH-O 3.05Å; Y582-E632 PolarHBondContact OH-O 3.46Å; Y582-Y633 HydrophobicContact CD2-CD2 4.08Å; Y582-Y633 HydrophobicContact CE2-CD2 4.18Å
583	E	88.2	Confident	88.2	Confident	12 Å²	12	60.5 Å²	60.5	6%	0.056	30%	0.303	C	S	.	.			trans	-69	143.4	172	-66.8	-63.6	112.2	0	0	112.1	Y555 D556 N557 Q581 D585 L588 N589	Y555-E583 VanDerWaalsContact CA-OE2 3.25Å; Y555-E583 WeakPolarHBondContact CA-OE2 3.4Å; Y555-E583 HydrophobicContact CD1-CG 4.19Å; D556-E583 PolarHBondContact N-OE1 3.09Å; D556-E583 VanDerWaalsContact N-OE1 3.17Å; D556-E583 PolarHBondContact N-OE2 2.84Å; N557-E583 VanDerWaalsContact CB-OE1 3.31Å; N557-E583 WeakPolarHBondContact CB-OE1 3.13Å; N557-E583 PolarHBondContact N-OE1 2.79Å; N557-E583 PolarHBondContact ND2-OE1 3.35Å; Q581-E583 VanDerWaalsContact C-N 3.29Å; Q581-E583 PolarHBondContact O-N 3.07Å; E583-D585 VanDerWaalsContact C-N 3.26Å; E583-D585 WeakPolarHBondContact CB-O 3.44Å; E583-D585 PolarHBondContact O-N 2.8Å; E583-L588 HydrophobicContact CB-CB 4Å; E583-L588 HydrophobicContact CG-CB 3.76Å; E583-N589 WeakPolarHBondContact CB-OD1 3.4Å; E583-N589 PolarHBondContact N-OD1 3.18Å; E583-N589 VanDerWaalsContact N-OD1 3.12Å
584	T	85.9	Confident	88.3	Confident	82 Å²	82	64.5 Å²	64.5	50%	0.503	32%	0.323	S	S	.	.	S	Bend	trans	-67.8	-29.7	175.3	-46.9	0	0	0	0	111.7	G539 D556 P586	G539-T584 PolarHBondContact O-OG1 3.32Å; D556-T584 WeakPolarHBondContact OD2-CB 3.4Å; D556-T584 PolarHBondContact OD2-N 2.72Å; D556-T584 PolarHBondContact OD2-OG1 2.76Å; T584-P586 WeakPolarHBondContact O-CD 3.26Å
585	D	86.8	Confident	88.3	Confident	73 Å²	73	57 Å²	57	39%	0.39	30%	0.298	S	S	.	.	S	Bend	trans	-94.7	112.1	168.1	-176.2	-24.4	0	0	0	109.3	E583 T587 L588	E583-D585 VanDerWaalsContact C-N 3.26Å; E583-D585 WeakPolarHBondContact CB-O 3.44Å; E583-D585 PolarHBondContact O-N 2.8Å; D585-T587 VanDerWaalsContact CG-OG1 3.26Å; D585-T587 PolarHBondContact O-N 2.79Å; D585-T587 VanDerWaalsContact OD1-CB 3.31Å; D585-T587 WeakPolarHBondContact OD1-CB 3.48Å; D585-T587 WeakPolarHBondContact OD1-CG2 3.14Å; D585-T587 PolarHBondContact OD1-N 2.79Å; D585-T587 PolarHBondContact OD1-OG1 2.68Å; D585-T587 PolarHBondContact OD2-OG1 3.42Å; D585-L588 HydrophobicContact CB-CD1 4.12Å; D585-L588 HydrophobicContact CB-CG 4.13Å; D585-L588 PolarHBondContact O-N 3.39Å; D585-L588 VanDerWaalsContact O-N 3.08Å
586	P	86.6	Confident	88.3	Confident	101 Å²	101	54.5 Å²	54.5	66%	0.656	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-20.1	-178.9	-26.4	36.5	0	0	0	114.9	T584 L588 N589	T584-P586 WeakPolarHBondContact O-CD 3.26Å; P586-L588 VanDerWaalsContact C-N 3.28Å; P586-L588 PolarHBondContact O-N 2.81Å; P586-N589 WeakPolarHBondContact CA-ND2 3.5Å; P586-N589 PolarHBondContact O-N 3.35Å; P586-N589 PolarHBondContact O-ND2 2.98Å
587	T	88.3	Confident	88.2	Confident	111 Å²	111	55.6 Å²	55.6	68%	0.681	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-10.8	179.3	72.7	0	0	0	0	113.8	D585	D585-T587 VanDerWaalsContact CG-OG1 3.26Å; D585-T587 PolarHBondContact O-N 2.79Å; D585-T587 VanDerWaalsContact OD1-CB 3.31Å; D585-T587 WeakPolarHBondContact OD1-CB 3.48Å; D585-T587 WeakPolarHBondContact OD1-CG2 3.14Å; D585-T587 PolarHBondContact OD1-N 2.79Å; D585-T587 PolarHBondContact OD1-OG1 2.68Å; D585-T587 PolarHBondContact OD2-OG1 3.42Å
588	L	88.8	Confident	88.1	Confident	28 Å²	28	61.7 Å²	61.7	15%	0.147	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-21.5	172.5	-64.8	-178.6	0	0	0	112.7	K553 Y555 E583 D585 P586	K553-L588 HydrophobicContact CD-CD2 4.11Å; Y555-L588 HydrophobicContact CD1-CB 3.96Å; Y555-L588 HydrophobicContact CD1-CD1 4.4Å; Y555-L588 HydrophobicContact CE1-CB 3.83Å; Y555-L588 HydrophobicContact CE1-CD2 4.25Å; Y555-L588 HydrophobicContact CE1-CG 4.48Å; Y555-L588 WeakPolarHBondContact CE1-O 3.31Å; E583-L588 HydrophobicContact CB-CB 4Å; E583-L588 HydrophobicContact CG-CB 3.76Å; D585-L588 HydrophobicContact CB-CD1 4.12Å; D585-L588 HydrophobicContact CB-CG 4.13Å; D585-L588 PolarHBondContact O-N 3.39Å; D585-L588 VanDerWaalsContact O-N 3.08Å; P586-L588 VanDerWaalsContact C-N 3.28Å; P586-L588 PolarHBondContact O-N 2.81Å
589	N	89.6	Confident	87.9	Confident	52 Å²	52	57.5 Å²	57.5	28%	0.278	30%	0.299	S	S	.	.	S	Bend	trans	-61.2	143.1	174.2	-63.6	-56.1	0	0	0	110.9	F580 Q581 Y582 E583 P586 N591	F580-N589 WeakPolarHBondContact O-CA 3.37Å; Q581-N589 VanDerWaalsContact C-OD1 3.25Å; Q581-N589 WeakPolarHBondContact CA-OD1 3.29Å; Y582-N589 PolarHBondContact N-OD1 3.16Å; Y582-N589 VanDerWaalsContact N-OD1 3.07Å; E583-N589 WeakPolarHBondContact CB-OD1 3.4Å; E583-N589 PolarHBondContact N-OD1 3.18Å; E583-N589 VanDerWaalsContact N-OD1 3.12Å; P586-N589 WeakPolarHBondContact CA-ND2 3.5Å; P586-N589 PolarHBondContact O-N 3.35Å; P586-N589 PolarHBondContact O-ND2 2.98Å; N589-N591 PolarHBondContact O-N 2.95Å
590	S	90.1	Very high	87.7	Confident	26 Å²	26	57 Å²	57	18%	0.182	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-69.7	125.7	-175.7	-66.9	0	0	0	0	112.4	W579 F580	W579-S590 WeakPolarHBondContact CH2-O 3.44Å; W579-S590 WeakPolarHBondContact CZ2-O 2.95Å; F580-S590 PolarHBondContact N-OG 3.15Å; F580-S590 PolarHBondContact O-N 2.82Å
591	N	90.7	Very high	87.5	Confident	72 Å²	72	59.7 Å²	59.7	39%	0.385	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-87.1	130.3	170.3	-175	-53.1	0	0	0	110.2	N589 Y593 D594 V595	N589-N591 PolarHBondContact O-N 2.95Å; N591-Y593 PolarHBondContact O-N 3.22Å; N591-Y593 PolarHBondContact OD1-N 2.99Å; N591-D594 HydrophobicContact CB-CB 4.12Å; N591-D594 VanDerWaalsContact CB-OD2 3.32Å; N591-D594 WeakPolarHBondContact CB-OD2 3.4Å; N591-D594 PolarHBondContact O-N 3.33Å; N591-D594 PolarHBondContact OD1-N 3.43Å; N591-V595 WeakPolarHBondContact O-CG2 3.37Å; N591-V595 PolarHBondContact O-N 3.43Å
592	V	88.9	Confident	87.6	Confident	18 Å²	18	62.7 Å²	62.7	11%	0.109	33%	0.327	C	S	.	.	H	α-helix	trans	-64.7	-36	-176.3	70.4	0	0	0	0	113.7	W579 A596 V618 I621 L622	W579-V592 HydrophobicContact CH2-CB 4.06Å; W579-V592 HydrophobicContact CZ3-CB 4.46Å; V592-A596 WeakPolarHBondContact O-CB 3.43Å; V592-A596 PolarHBondContact O-N 3.44Å; V592-V618 HydrophobicContact CG1-CG1 4.03Å; V592-V618 HydrophobicContact CG2-CB 4.3Å; V592-V618 HydrophobicContact CG2-CG1 3.93Å; V592-V618 HydrophobicContact CG2-CG2 4.36Å; V592-I621 HydrophobicContact CG2-CB 3.77Å; V592-I621 HydrophobicContact CG2-CD1 4.3Å; V592-I621 HydrophobicContact CG2-CG2 3.72Å; V592-L622 HydrophobicContact CB-CD2 4.3Å; V592-L622 HydrophobicContact CG1-CD2 4.24Å; V592-L622 HydrophobicContact CG2-CD2 4.06Å; V592-L622 HydrophobicContact CG2-CG 4.07Å
593	Y	87	Confident	87.6	Confident	117 Å²	117	60.4 Å²	60.4	46%	0.459	32%	0.319	S	S	.	.	H	α-helix	trans	-73.6	-39.4	179.3	-66.5	-82.2	0	0	0	111.4	N591 A596 M597 V618	N591-Y593 PolarHBondContact O-N 3.22Å; N591-Y593 PolarHBondContact OD1-N 2.99Å; Y593-A596 PolarHBondContact O-N 2.83Å; Y593-M597 VanDerWaalsContact O-CB 3.24Å; Y593-M597 WeakPolarHBondContact O-CB 3.39Å; Y593-M597 PolarHBondContact O-N 2.95Å; Y593-V618 HydrophobicContact CD1-CG2 3.63Å; Y593-V618 HydrophobicContact CE1-CG1 4.13Å; Y593-V618 HydrophobicContact CE1-CG2 3.88Å; Y593-V618 HydrophobicContact CG-CG2 4.27Å
594	D	87.4	Confident	87.5	Confident	104 Å²	104	60.5 Å²	60.5	56%	0.556	32%	0.319	S	S	*	.	H	α-helix	trans	-65.9	-43.2	176.6	-66.5	-33.4	0	0	0	111.6	N591 M597 K598	N591-D594 HydrophobicContact CB-CB 4.12Å; N591-D594 VanDerWaalsContact CB-OD2 3.32Å; N591-D594 WeakPolarHBondContact CB-OD2 3.4Å; N591-D594 PolarHBondContact O-N 3.33Å; N591-D594 PolarHBondContact OD1-N 3.43Å; D594-M597 PolarHBondContact O-N 2.82Å; D594-K598 WeakPolarHBondContact O-CB 3.46Å; D594-K598 WeakPolarHBondContact O-CG 3.28Å; D594-K598 PolarHBondContact O-N 2.83Å
595	V	88.5	Confident	87	Confident	25 Å²	25	61.6 Å²	61.6	15%	0.152	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-46.6	175	174.4	0	0	0	0	110.4	V577 W579 N591 M597 K598 L599 I621	V577-V595 HydrophobicContact CG1-CG1 3.85Å; W579-V595 HydrophobicContact CE3-CG2 4.46Å; W579-V595 HydrophobicContact CZ3-CG2 4.23Å; N591-V595 WeakPolarHBondContact O-CG2 3.37Å; N591-V595 PolarHBondContact O-N 3.43Å; V595-M597 PolarHBondContact O-N 3.11Å; V595-K598 PolarHBondContact O-N 2.92Å; V595-L599 HydrophobicContact CG1-CD1 3.89Å; V595-L599 WeakPolarHBondContact O-CD1 3.46Å; V595-L599 VanDerWaalsContact O-CG 3.25Å; V595-L599 WeakPolarHBondContact O-CG 3.42Å; V595-L599 PolarHBondContact O-N 2.95Å; V595-I621 HydrophobicContact CB-CD1 4.28Å; V595-I621 HydrophobicContact CG1-CD1 3.8Å
596	A	87.4	Confident	86.2	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-59.7	-43.1	175.8	0	0	0	0	0	112.6	V592 Y593 L599 V600 V614 V617 V618 I621	V592-A596 WeakPolarHBondContact O-CB 3.43Å; V592-A596 PolarHBondContact O-N 3.44Å; Y593-A596 PolarHBondContact O-N 2.83Å; A596-L599 PolarHBondContact O-N 3.39Å; A596-V600 WeakPolarHBondContact O-CG2 3.36Å; A596-V600 PolarHBondContact O-N 3.2Å; A596-V614 HydrophobicContact CB-CG1 4.27Å; A596-V617 HydrophobicContact CB-CB 3.98Å; A596-V617 HydrophobicContact CB-CG1 3.68Å; A596-V618 HydrophobicContact CB-CG2 3.54Å; A596-I621 HydrophobicContact CB-CD1 4.1Å
597	M	86.3	Confident	85.4	Confident	80 Å²	80	60.5 Å²	60.5	39%	0.394	33%	0.33	S	S	.	.	H	α-helix	trans	-67.3	-41.2	179.1	-167.8	64.5	70.2	0	0	111.8	Y593 D594 V595 T601 V614	Y593-M597 VanDerWaalsContact O-CB 3.24Å; Y593-M597 WeakPolarHBondContact O-CB 3.39Å; Y593-M597 PolarHBondContact O-N 2.95Å; D594-M597 PolarHBondContact O-N 2.82Å; V595-M597 PolarHBondContact O-N 3.11Å; M597-T601 VanDerWaalsContact O-CB 3.28Å; M597-T601 WeakPolarHBondContact O-CB 3.35Å; M597-T601 PolarHBondContact O-N 2.84Å; M597-T601 PolarHBondContact O-OG1 3.1Å; M597-V614 HydrophobicContact CE-CG1 4.28Å; M597-V614 HydrophobicContact CE-CG2 3.97Å; M597-V614 HydrophobicContact SD-CG2 4.21Å
598	K	87.1	Confident	83.7	Confident	133 Å²	133	63.2 Å²	63.2	58%	0.578	33%	0.332	S	S	*	.	H	α-helix	trans	-56.5	-48.9	171.3	-81.7	-173.7	172.6	-167	0	110.9	D551 D594 V595 T601 K602	D551-K598 IonicContact OD2-NZ 3.26Å; D551-K598 PolarHBondContact OD2-NZ 2.96Å; D594-K598 WeakPolarHBondContact O-CB 3.46Å; D594-K598 WeakPolarHBondContact O-CG 3.28Å; D594-K598 PolarHBondContact O-N 2.83Å; V595-K598 PolarHBondContact O-N 2.92Å; K598-T601 PolarHBondContact O-N 3.15Å; K598-K602 VanDerWaalsContact O-CB 3.28Å; K598-K602 WeakPolarHBondContact O-CB 3.46Å; K598-K602 PolarHBondContact O-N 2.78Å
599	L	87.4	Confident	82.4	Confident	12 Å²	12	64.7 Å²	64.7	6%	0.063	36%	0.355	C	S	.	.	H	α-helix	trans	-62.5	-48.5	179.9	-70.4	161.7	0	0	0	112.5	I564 L566 E575 V577 V595 A596 T601 K602 H603 V617 I621	I564-L599 HydrophobicContact CD1-CD1 3.64Å; I564-L599 HydrophobicContact CD1-CD2 4.27Å; L566-L599 HydrophobicContact CD1-CB 4.19Å; E575-L599 HydrophobicContact CB-CD2 4.36Å; E575-L599 HydrophobicContact CG-CD2 3.6Å; V577-L599 HydrophobicContact CG2-CD1 4.04Å; V595-L599 HydrophobicContact CG1-CD1 3.89Å; V595-L599 WeakPolarHBondContact O-CD1 3.46Å; V595-L599 VanDerWaalsContact O-CG 3.25Å; V595-L599 WeakPolarHBondContact O-CG 3.42Å; V595-L599 PolarHBondContact O-N 2.95Å; A596-L599 PolarHBondContact O-N 3.39Å; L599-T601 VanDerWaalsContact C-N 3.34Å; L599-T601 PolarHBondContact O-N 3.33Å; L599-K602 PolarHBondContact O-N 2.87Å; L599-H603 PolarHBondContact O-CD2 2.93Å; L599-H603 VanDerWaalsContact O-CD2 3.27Å; L599-H603 PolarHBondContact O-N 2.9Å; L599-V617 HydrophobicContact CB-CG1 4.43Å; L599-V617 HydrophobicContact CD1-CG1 3.89Å; L599-I621 HydrophobicContact CD1-CD1 3.97Å
600	V	86.3	Confident	81.6	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.024	35%	0.35	C	S	.	.	H	α-helix	trans	-61.1	-44.2	178.1	171.2	0	0	0	0	110.7	A596 K602 F604 L613 V614 V617	A596-V600 WeakPolarHBondContact O-CG2 3.36Å; A596-V600 PolarHBondContact O-N 3.2Å; V600-K602 PolarHBondContact O-N 2.88Å; V600-F604 CarbonylContact O-C 3.57Å; V600-F604 WeakPolarHBondContact O-CA 3.46Å; V600-F604 WeakPolarHBondContact O-CB 3.47Å; V600-F604 PolarHBondContact O-N 3.12Å; V600-L613 HydrophobicContact CG1-CD2 3.75Å; V600-L613 HydrophobicContact CG1-CG 4.17Å; V600-L613 HydrophobicContact CG2-CD1 4.48Å; V600-L613 HydrophobicContact CG2-CD2 4.22Å; V600-L613 HydrophobicContact CG2-CG 3.85Å; V600-V614 HydrophobicContact CG1-CG2 4.45Å; V600-V614 HydrophobicContact CG2-CG2 4.21Å; V600-V617 HydrophobicContact CG2-CB 4.46Å; V600-V617 HydrophobicContact CG2-CG2 3.72Å
601	T	85.7	Confident	81	Confident	65 Å²	65	68.5 Å²	68.5	40%	0.399	37%	0.371	S	S	.	.	H	α-helix	trans	-64.1	-40.9	177.8	-54.7	0	0	0	0	112.3	M597 K598 L599	M597-T601 VanDerWaalsContact O-CB 3.28Å; M597-T601 WeakPolarHBondContact O-CB 3.35Å; M597-T601 PolarHBondContact O-N 2.84Å; M597-T601 PolarHBondContact O-OG1 3.1Å; K598-T601 PolarHBondContact O-N 3.15Å; L599-T601 VanDerWaalsContact C-N 3.34Å; L599-T601 PolarHBondContact O-N 3.33Å
602	K	87.7	Confident	80.5	Confident	126 Å²	126	71.2 Å²	71.2	55%	0.548	38%	0.384	S	S	.	.	H	α-helix	trans	-66.8	-41.8	180	179.1	179.3	168	-170.1	0	112.8	E575 K598 L599 V600	E575-K602 IonicContact OE1-NZ 3.37Å; E575-K602 PolarHBondContact OE1-NZ 2.92Å; E575-K602 IonicContact OE2-NZ 3.59Å; E575-K602 PolarHBondContact OE2-NZ 2.92Å; E575-K602 VanDerWaalsContact OE2-NZ 3.13Å; K598-K602 VanDerWaalsContact O-CB 3.28Å; K598-K602 WeakPolarHBondContact O-CB 3.46Å; K598-K602 PolarHBondContact O-N 2.78Å; L599-K602 PolarHBondContact O-N 2.87Å; V600-K602 PolarHBondContact O-N 2.88Å
603	H	85.8	Confident	80.1	Confident	28 Å²	28	70.4 Å²	70.4	13%	0.13	38%	0.379	C	S	.	.	H	α-helix	trans	-109.3	-18.6	-168	-62.1	-79.8	0	0	0	115.1	R571 V573 E575 L599	R571-H603 PolarHBondContact NH1-O 3.17Å; V573-H603 HydrophobicContact CG1-CB 4.14Å; V573-H603 WeakPolarHBondContact CG1-ND1 3.46Å; V573-H603 HydrophobicContact CG2-CB 4.31Å; E575-H603 IonicContact OE2-CE1 2.97Å; E575-H603 PolarHBondContact OE2-CE1 3.12Å; E575-H603 IonicContact OE2-NE2 2.71Å; E575-H603 PolarHBondContact OE2-NE2 3.22Å; L599-H603 PolarHBondContact O-CD2 2.93Å; L599-H603 VanDerWaalsContact O-CD2 3.27Å; L599-H603 PolarHBondContact O-N 2.9Å
604	F	85.1	Confident	80	Confident	14 Å²	14	65.5 Å²	65.5	6%	0.061	36%	0.361	C	S	.	.			trans	-126.9	52.7	177.2	-54.4	-86.8	0	0	0	111.8	L566 W568 R571 V573 V600 G606 E607 L613	L566-F604 HydrophobicContact CB-CE2 4.14Å; L566-F604 HydrophobicContact CB-CZ 4.32Å; L566-F604 HydrophobicContact CD1-CE2 4.4Å; W568-F604 HydrophobicContact CB-CD1 4.12Å; W568-F604 HydrophobicContact CB-CE1 3.7Å; W568-F604 HydrophobicContact CB-CZ 4.11Å; R571-F604 HydrophobicContact CB-CE1 4.26Å; V573-F604 HydrophobicContact CG2-CZ 4.03Å; V600-F604 CarbonylContact O-C 3.57Å; V600-F604 WeakPolarHBondContact O-CA 3.46Å; V600-F604 WeakPolarHBondContact O-CB 3.47Å; V600-F604 PolarHBondContact O-N 3.12Å; F604-G606 PolarHBondContact O-N 3.44Å; F604-E607 HydrophobicContact CB-CB 4.16Å; F604-E607 HydrophobicContact CB-CG 4.05Å; F604-E607 PolarHBondContact O-N 2.83Å; F604-L613 HydrophobicContact CB-CD2 4.18Å; F604-L613 HydrophobicContact CD2-CD2 4.28Å; F604-L613 HydrophobicContact CG-CD2 4.15Å
605	P	74.8	Confident	79.8	Confident	105 Å²	105	64.3 Å²	64.3	68%	0.682	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	103.1	179.8	28.1	-35.5	0	0	0	110.6
606	G	69.9	Low	79.6	Confident	70 Å²	70	67.1 Å²	67.1	72%	0.722	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	142	-34.7	-172	0	0	0	0	0	112.4	F604 F608	F604-G606 PolarHBondContact O-N 3.44Å; G606-F608 PolarHBondContact O-N 3.35Å
607	E	70.4	Confident	79.5	Confident	81 Å²	81	67.1 Å²	67.1	38%	0.379	36%	0.363	S	S	.	.			trans	-80.2	25.9	178.2	-62.9	-66.5	128.9	0	0	112.9	W568 F604 G609 S610 L613	W568-E607 VanDerWaalsContact NE1-CD 3.33Å; W568-E607 PolarHBondContact NE1-OE2 2.9Å; F604-E607 HydrophobicContact CB-CB 4.16Å; F604-E607 HydrophobicContact CB-CG 4.05Å; F604-E607 PolarHBondContact O-N 2.83Å; E607-G609 PolarHBondContact O-N 3.42Å; E607-G609 VanDerWaalsContact O-N 3.17Å; E607-S610 VanDerWaalsContact O-CB 3.31Å; E607-S610 WeakPolarHBondContact O-CB 3.38Å; E607-S610 PolarHBondContact O-N 3.25Å; E607-L613 HydrophobicContact CB-CD2 3.92Å; E607-L613 HydrophobicContact CG-CD2 4.28Å
608	F	53	Low	79.5	Confident	167 Å²	167	63.3 Å²	63.3	73%	0.732	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	112.5	-170.5	-163.8	-91.2	0	0	0	110.6	G606	G606-F608 PolarHBondContact O-N 3.35Å
609	G	60.3	Low	79.5	Confident	60 Å²	60	61.2 Å²	61.2	62%	0.619	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.7	7	-171.6	0	0	0	0	0	115.1	E607 E611	E607-G609 PolarHBondContact O-N 3.42Å; E607-G609 VanDerWaalsContact O-N 3.17Å; G609-E611 VanDerWaalsContact C-N 3.32Å; G609-E611 PolarHBondContact O-N 3.08Å
610	S	74.1	Confident	79.4	Confident	25 Å²	25	62.5 Å²	62.5	18%	0.175	35%	0.347	C	S	.	.			trans	-73.1	84.1	168.9	-174.1	0	0	0	0	110.9	W568 E607 I612 L613 V614	W568-S610 WeakPolarHBondContact CZ2-OG 3.35Å; E607-S610 VanDerWaalsContact O-CB 3.31Å; E607-S610 WeakPolarHBondContact O-CB 3.38Å; E607-S610 PolarHBondContact O-N 3.25Å; S610-I612 PolarHBondContact O-N 2.85Å; S610-L613 PolarHBondContact O-N 3.48Å; S610-L613 WeakPolarHBondContact OG-CB 3.32Å; S610-L613 PolarHBondContact OG-N 2.95Å; S610-V614 PolarHBondContact O-N 3.32Å
611	E	76.8	Confident	79.4	Confident	133 Å²	133	62.3 Å²	62.3	62%	0.621	35%	0.346	S	S	*	.	H	α-helix	trans	-51.2	-37.4	176.7	-66.8	175.6	175.6	0	0	112.1	G609 V614 Q615	G609-E611 VanDerWaalsContact C-N 3.32Å; G609-E611 PolarHBondContact O-N 3.08Å; E611-V614 PolarHBondContact O-N 3.04Å; E611-Q615 VanDerWaalsContact O-CB 3.32Å; E611-Q615 WeakPolarHBondContact O-CB 3.3Å; E611-Q615 PolarHBondContact O-N 3.05Å
612	I	80.6	Confident	79.4	Confident	128 Å²	128	62.9 Å²	62.9	66%	0.656	35%	0.346	S	S	*	.	H	α-helix	trans	-66.3	-41.8	179.4	-58.1	174.4	0	0	0	111.2	W568 S610 K616	W568-I612 HydrophobicContact CH2-CB 4.14Å; W568-I612 HydrophobicContact CH2-CG2 3.95Å; W568-I612 HydrophobicContact CZ3-CG2 4.14Å; S610-I612 PolarHBondContact O-N 2.85Å; I612-K616 PolarHBondContact O-N 3.05Å
613	L	80.6	Confident	79.3	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.01	35%	0.354	C	S	.	.	H	α-helix	trans	-66.9	-48.3	175.1	173.2	54.9	0	0	0	110.4	W568 V600 F604 E607 S610 Q615 K616 V617	W568-L613 HydrophobicContact CB-CD1 3.87Å; W568-L613 HydrophobicContact CB-CD2 4.39Å; W568-L613 HydrophobicContact CD2-CB 4Å; W568-L613 HydrophobicContact CD2-CD1 3.81Å; W568-L613 HydrophobicContact CD2-CD2 4.08Å; W568-L613 HydrophobicContact CD2-CG 4.17Å; W568-L613 HydrophobicContact CE3-CB 3.99Å; W568-L613 HydrophobicContact CE3-CD1 3.78Å; W568-L613 HydrophobicContact CE3-CG 4.35Å; W568-L613 HydrophobicContact CG-CD1 3.88Å; W568-L613 HydrophobicContact CG-CD2 3.89Å; W568-L613 HydrophobicContact CG-CG 4.35Å; W568-L613 HydrophobicContact CH2-CB 4.06Å; W568-L613 HydrophobicContact CZ2-CB 4.07Å; W568-L613 HydrophobicContact CZ3-CB 4.01Å; V600-L613 HydrophobicContact CG1-CD2 3.75Å; V600-L613 HydrophobicContact CG1-CG 4.17Å; V600-L613 HydrophobicContact CG2-CD1 4.48Å; V600-L613 HydrophobicContact CG2-CD2 4.22Å; V600-L613 HydrophobicContact CG2-CG 3.85Å; F604-L613 HydrophobicContact CB-CD2 4.18Å; F604-L613 HydrophobicContact CD2-CD2 4.28Å; F604-L613 HydrophobicContact CG-CD2 4.15Å; E607-L613 HydrophobicContact CB-CD2 3.92Å; E607-L613 HydrophobicContact CG-CD2 4.28Å; S610-L613 PolarHBondContact O-N 3.48Å; S610-L613 WeakPolarHBondContact OG-CB 3.32Å; S610-L613 PolarHBondContact OG-N 2.95Å; L613-Q615 VanDerWaalsContact C-N 3.31Å; L613-Q615 PolarHBondContact O-N 2.97Å; L613-K616 WeakPolarHBondContact O-CB 3.48Å; L613-K616 PolarHBondContact O-N 3.24Å; L613-K616 VanDerWaalsContact O-N 3.1Å; L613-V617 HydrophobicContact CD1-CG2 4.2Å; L613-V617 WeakPolarHBondContact O-CG2 3.44Å; L613-V617 PolarHBondContact O-N 2.82Å
614	V	84.1	Confident	79	Confident	14 Å²	14	66.2 Å²	66.2	9%	0.085	36%	0.363	C	S	.	.	H	α-helix	trans	-57.7	-44.9	177.7	177.2	0	0	0	0	110.6	A596 M597 V600 S610 E611 K616 V617 V618	A596-V614 HydrophobicContact CB-CG1 4.27Å; M597-V614 HydrophobicContact CE-CG1 4.28Å; M597-V614 HydrophobicContact CE-CG2 3.97Å; M597-V614 HydrophobicContact SD-CG2 4.21Å; V600-V614 HydrophobicContact CG1-CG2 4.45Å; V600-V614 HydrophobicContact CG2-CG2 4.21Å; S610-V614 PolarHBondContact O-N 3.32Å; E611-V614 PolarHBondContact O-N 3.04Å; V614-K616 PolarHBondContact O-N 3.42Å; V614-V617 PolarHBondContact O-N 2.71Å; V614-V618 HydrophobicContact CG1-CG2 4.27Å; V614-V618 WeakPolarHBondContact O-CG2 3.5Å; V614-V618 PolarHBondContact O-N 3.17Å
615	Q	83.8	Confident	78.7	Confident	78 Å²	78	66.8 Å²	66.8	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-65.6	-35.1	176.9	-165	65.8	53.5	0	0	112.8	E611 L613 V618 N619	E611-Q615 VanDerWaalsContact O-CB 3.32Å; E611-Q615 WeakPolarHBondContact O-CB 3.3Å; E611-Q615 PolarHBondContact O-N 3.05Å; L613-Q615 VanDerWaalsContact C-N 3.31Å; L613-Q615 PolarHBondContact O-N 2.97Å; Q615-V618 PolarHBondContact O-N 2.87Å; Q615-N619 PolarHBondContact NE2-OD1 3.3Å; Q615-N619 WeakPolarHBondContact O-CB 3.46Å; Q615-N619 PolarHBondContact O-N 3.28Å; Q615-N619 PolarHBondContact O-OD1 3.49Å
616	K	84.2	Confident	78.7	Confident	84 Å²	84	65.5 Å²	65.5	37%	0.365	37%	0.366	S	S	.	.	H	α-helix	trans	-59.7	-47	171.5	-172.3	-179.2	178	-176.8	0	110.2	E567 I612 L613 V614 N619 T620	E567-K616 PolarHBondContact O-NZ 3.16Å; E567-K616 IonicContact OE2-NZ 4Å; E567-K616 PolarHBondContact OE2-NZ 3.39Å; I612-K616 PolarHBondContact O-N 3.05Å; L613-K616 WeakPolarHBondContact O-CB 3.48Å; L613-K616 PolarHBondContact O-N 3.24Å; L613-K616 VanDerWaalsContact O-N 3.1Å; V614-K616 PolarHBondContact O-N 3.42Å; K616-N619 PolarHBondContact O-N 3.08Å; K616-T620 PolarHBondContact O-N 2.87Å; K616-T620 VanDerWaalsContact O-N 3.09Å; K616-T620 PolarHBondContact O-OG1 3.36Å
617	V	85.8	Confident	78.2	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.006	35%	0.348	C	S	.	.	H	α-helix	trans	-64.9	-45.3	177.7	-177.9	0	0	0	0	112	L566 A596 L599 V600 L613 V614 N619 T620 I621	L566-V617 HydrophobicContact CD1-CG1 4.39Å; L566-V617 HydrophobicContact CD1-CG2 4.09Å; L566-V617 HydrophobicContact CD2-CB 4.37Å; L566-V617 HydrophobicContact CD2-CG1 4.15Å; L566-V617 HydrophobicContact CD2-CG2 3.76Å; A596-V617 HydrophobicContact CB-CB 3.98Å; A596-V617 HydrophobicContact CB-CG1 3.68Å; L599-V617 HydrophobicContact CB-CG1 4.43Å; L599-V617 HydrophobicContact CD1-CG1 3.89Å; V600-V617 HydrophobicContact CG2-CB 4.46Å; V600-V617 HydrophobicContact CG2-CG2 3.72Å; L613-V617 HydrophobicContact CD1-CG2 4.2Å; L613-V617 WeakPolarHBondContact O-CG2 3.44Å; L613-V617 PolarHBondContact O-N 2.82Å; V614-V617 PolarHBondContact O-N 2.71Å; V617-N619 PolarHBondContact O-N 2.89Å; V617-T620 PolarHBondContact O-N 2.88Å; V617-I621 HydrophobicContact CG1-CD1 3.85Å; V617-I621 HydrophobicContact CG1-CG1 4.41Å; V617-I621 WeakPolarHBondContact O-CG1 3.16Å; V617-I621 PolarHBondContact O-N 3.21Å
618	V	87.3	Confident	77.2	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-56.2	-49	175.8	166.1	0	0	0	0	110.8	V592 Y593 A596 V614 Q615 T620 I621 L622	V592-V618 HydrophobicContact CG1-CG1 4.03Å; V592-V618 HydrophobicContact CG2-CB 4.3Å; V592-V618 HydrophobicContact CG2-CG1 3.93Å; V592-V618 HydrophobicContact CG2-CG2 4.36Å; Y593-V618 HydrophobicContact CD1-CG2 3.63Å; Y593-V618 HydrophobicContact CE1-CG1 4.13Å; Y593-V618 HydrophobicContact CE1-CG2 3.88Å; Y593-V618 HydrophobicContact CG-CG2 4.27Å; A596-V618 HydrophobicContact CB-CG2 3.54Å; V614-V618 HydrophobicContact CG1-CG2 4.27Å; V614-V618 WeakPolarHBondContact O-CG2 3.5Å; V614-V618 PolarHBondContact O-N 3.17Å; Q615-V618 PolarHBondContact O-N 2.87Å; V618-T620 VanDerWaalsContact C-N 3.32Å; V618-T620 PolarHBondContact O-N 3.43Å; V618-I621 PolarHBondContact O-N 3.44Å; V618-L622 HydrophobicContact CG1-CD1 3.97Å; V618-L622 HydrophobicContact CG1-CG 4.25Å; V618-L622 WeakPolarHBondContact O-CB 3.22Å; V618-L622 WeakPolarHBondContact O-CG 3.05Å; V618-L622 PolarHBondContact O-N 3.49Å
619	N	85.5	Confident	77.3	Confident	88 Å²	88	64.1 Å²	64.1	47%	0.471	34%	0.339	S	S	.	.	H	α-helix	trans	-62.8	-37.6	179.8	-68.1	-2.1	0	0	0	112.1	Q615 K616 V617 H623	Q615-N619 PolarHBondContact NE2-OD1 3.3Å; Q615-N619 WeakPolarHBondContact O-CB 3.46Å; Q615-N619 PolarHBondContact O-N 3.28Å; Q615-N619 PolarHBondContact O-OD1 3.49Å; K616-N619 PolarHBondContact O-N 3.08Å; V617-N619 PolarHBondContact O-N 2.89Å; N619-H623 WeakPolarHBondContact O-CB 3.18Å; N619-H623 PolarHBondContact O-N 3.43Å; N619-H623 VanDerWaalsContact O-N 3.1Å
620	T	85.5	Confident	77.3	Confident	39 Å²	39	65.7 Å²	65.7	24%	0.239	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-46.5	173.1	-64.3	0	0	0	0	111.7	I564 K616 V617 V618 H623 H624	I564-T620 HydrophobicContact CB-CG2 4.27Å; I564-T620 HydrophobicContact CG2-CG2 4.13Å; K616-T620 PolarHBondContact O-N 2.87Å; K616-T620 VanDerWaalsContact O-N 3.09Å; K616-T620 PolarHBondContact O-OG1 3.36Å; V617-T620 PolarHBondContact O-N 2.88Å; V618-T620 VanDerWaalsContact C-N 3.32Å; V618-T620 PolarHBondContact O-N 3.43Å; T620-H623 PolarHBondContact O-N 2.91Å; T620-H624 PolarHBondContact O-CD2 3.2Å; T620-H624 PolarHBondContact O-N 2.79Å
621	I	86.2	Confident	76.6	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-63.2	-48.8	178.2	-63.2	162.9	0	0	0	110.3	F562 W579 V592 V595 A596 L599 V617 V618 H623 H624 T625	F562-I621 HydrophobicContact CZ-CG2 4.16Å; W579-I621 HydrophobicContact CE3-CG2 4.13Å; W579-I621 HydrophobicContact CH2-CG2 4.35Å; W579-I621 HydrophobicContact CZ3-CG2 3.84Å; V592-I621 HydrophobicContact CG2-CB 3.77Å; V592-I621 HydrophobicContact CG2-CD1 4.3Å; V592-I621 HydrophobicContact CG2-CG2 3.72Å; V595-I621 HydrophobicContact CB-CD1 4.28Å; V595-I621 HydrophobicContact CG1-CD1 3.8Å; A596-I621 HydrophobicContact CB-CD1 4.1Å; L599-I621 HydrophobicContact CD1-CD1 3.97Å; V617-I621 HydrophobicContact CG1-CD1 3.85Å; V617-I621 HydrophobicContact CG1-CG1 4.41Å; V617-I621 WeakPolarHBondContact O-CG1 3.16Å; V617-I621 PolarHBondContact O-N 3.21Å; V618-I621 PolarHBondContact O-N 3.44Å; I621-H623 PolarHBondContact O-N 2.83Å; I621-H624 PolarHBondContact O-N 2.76Å; I621-T625 HydrophobicContact CG2-CG2 3.95Å; I621-T625 WeakPolarHBondContact O-CG2 3.48Å; I621-T625 PolarHBondContact O-N 2.97Å; I621-T625 PolarHBondContact O-OG1 3.42Å
622	L	86.4	Confident	76.2	Confident	77 Å²	77	65.8 Å²	65.8	40%	0.403	34%	0.341	S	S	.	.	H	α-helix	trans	-54.3	-39.1	177.7	-72.4	-179.7	0	0	0	112.1	V592 V618 H624 T625 A626	V592-L622 HydrophobicContact CB-CD2 4.3Å; V592-L622 HydrophobicContact CG1-CD2 4.24Å; V592-L622 HydrophobicContact CG2-CD2 4.06Å; V592-L622 HydrophobicContact CG2-CG 4.07Å; V618-L622 HydrophobicContact CG1-CD1 3.97Å; V618-L622 HydrophobicContact CG1-CG 4.25Å; V618-L622 WeakPolarHBondContact O-CB 3.22Å; V618-L622 WeakPolarHBondContact O-CG 3.05Å; V618-L622 PolarHBondContact O-N 3.49Å; L622-H624 VanDerWaalsContact C-N 3.35Å; L622-H624 PolarHBondContact O-N 2.82Å; L622-T625 WeakPolarHBondContact CA-OG1 3.27Å; L622-T625 PolarHBondContact O-N 3.31Å; L622-T625 PolarHBondContact O-OG1 2.9Å; L622-A626 WeakPolarHBondContact O-CB 3.1Å; L622-A626 PolarHBondContact O-N 3.3Å
623	H	84.4	Confident	75.9	Confident	155 Å²	155	61.3 Å²	61.3	72%	0.718	32%	0.316	S	S	*	.	H	α-helix	trans	-64.2	-36.7	177.8	-167.1	70.2	0	0	0	113	N619 T620 I621	N619-H623 WeakPolarHBondContact O-CB 3.18Å; N619-H623 PolarHBondContact O-N 3.43Å; N619-H623 VanDerWaalsContact O-N 3.1Å; T620-H623 PolarHBondContact O-N 2.91Å; I621-H623 PolarHBondContact O-N 2.83Å
624	H	80.4	Confident	75.8	Confident	70 Å²	70	62.2 Å²	62.2	32%	0.324	32%	0.321	S	S	.	.	H	α-helix	trans	-77.2	-30.5	175.4	-79.6	-111.1	0	0	0	113.1	F562 P563 T620 I621 L622 K627	F562-H624 HydrophobicContact CD1-CB 4.5Å; F562-H624 HydrophobicContact CD2-CB 3.54Å; F562-H624 AromaticContact CD2-CG 3.68Å; F562-H624 AromaticContact CD2-ND1 3.57Å; F562-H624 HydrophobicContact CE1-CB 4.46Å; F562-H624 HydrophobicContact CE2-CB 3.5Å; F562-H624 HydrophobicContact CG-CB 4.07Å; F562-H624 AromaticContact CG-ND1 3.98Å; F562-H624 HydrophobicContact CZ-CB 4Å; P563-H624 PolarHBondContact O-CE1 3.46Å; T620-H624 PolarHBondContact O-CD2 3.2Å; T620-H624 PolarHBondContact O-N 2.79Å; I621-H624 PolarHBondContact O-N 2.76Å; L622-H624 VanDerWaalsContact C-N 3.35Å; L622-H624 PolarHBondContact O-N 2.82Å; H624-K627 WeakPolarHBondContact O-CE 3.06Å
625	T	79.8	Confident	75.6	Confident	25 Å²	25	62.7 Å²	62.7	15%	0.153	32%	0.324	C	S	.	.	H	α-helix	trans	-89.7	-18	-177.1	61.6	0	0	0	0	113.8	F562 W579 I621 L622 K627	F562-T625 HydrophobicContact CE1-CG2 3.85Å; F562-T625 HydrophobicContact CZ-CG2 3.62Å; W579-T625 HydrophobicContact CD2-CG2 3.59Å; W579-T625 HydrophobicContact CE3-CG2 4.16Å; W579-T625 HydrophobicContact CG-CG2 3.92Å; W579-T625 HydrophobicContact CH2-CG2 4.36Å; W579-T625 HydrophobicContact CZ2-CG2 3.8Å; I621-T625 HydrophobicContact CG2-CG2 3.95Å; I621-T625 WeakPolarHBondContact O-CG2 3.48Å; I621-T625 PolarHBondContact O-N 2.97Å; I621-T625 PolarHBondContact O-OG1 3.42Å; L622-T625 WeakPolarHBondContact CA-OG1 3.27Å; L622-T625 PolarHBondContact O-N 3.31Å; L622-T625 PolarHBondContact O-OG1 2.9Å; T625-K627 PolarHBondContact O-N 3.18Å
626	A	73.5	Confident	75.4	Confident	79 Å²	79	59.9 Å²	59.9	65%	0.653	31%	0.312	S	S	*	.			trans	-77.1	45.5	178.7	0	0	0	0	0	113.5	L622	L622-A626 WeakPolarHBondContact O-CB 3.1Å; L622-A626 PolarHBondContact O-N 3.3Å
627	K	59.3	Low	74.6	Confident	76 Å²	76	60 Å²	60	33%	0.33	32%	0.323	S	S	.	.			trans	-64.8	148.8	-178.7	-66.7	-179.9	-178.5	173.7	0	111.5	E560 H624 T625 N629	E560-K627 IonicContact OE1-NZ 3.69Å; E560-K627 IonicContact OE2-NZ 2.78Å; E560-K627 PolarHBondContact OE2-NZ 2.9Å; H624-K627 WeakPolarHBondContact O-CE 3.06Å; T625-K627 PolarHBondContact O-N 3.18Å; K627-N629 VanDerWaalsContact C-N 3.3Å; K627-N629 PolarHBondContact O-N 3.45Å
628	K	49.4	Very low	73.5	Confident	201 Å²	201	61.9 Å²	61.9	87%	0.874	33%	0.333	S	S	*	.	S	Bend	trans	-72.5	-11.5	-164.7	-73.4	-178.8	176.2	175.5	0	115.8
629	N	56.6	Low	71.5	Confident	11 Å²	11	69.5 Å²	69.5	6%	0.059	37%	0.374	C	S	.	.			trans	-134.2	125.3	-178.9	-75.3	-87.8	0	0	0	111.1	K627 D631 E632 A1121 G1122 T1123	K627-N629 VanDerWaalsContact C-N 3.3Å; K627-N629 PolarHBondContact O-N 3.45Å; N629-D631 VanDerWaalsContact C-N 3.27Å; N629-D631 PolarHBondContact O-N 2.87Å; N629-E632 HydrophobicContact CB-CB 4.35Å; N629-E632 WeakPolarHBondContact O-CB 3.17Å; N629-E632 PolarHBondContact O-N 2.94Å; N629-A1121 HydrophobicContact CB-CB 3.77Å; N629-A1121 PolarHBondContact ND2-O 3.2Å; N629-G1122 PolarHBondContact ND2-N 3.12Å; N629-G1122 PolarHBondContact ND2-O 3.35Å; N629-T1123 WeakPolarHBondContact OD1-CB 3.32Å; N629-T1123 PolarHBondContact OD1-OG1 2.98Å
630	P	59.1	Low	69.7	Low	94 Å²	94	66.3 Å²	66.3	61%	0.61	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-13.6	-179.2	32.3	-36.6	0	0	0	113.6	K541 Y582	K541-P630 PolarHBondContact NZ-O 2.81Å; Y582-P630 PolarHBondContact OH-O 2.73Å; Y582-P630 VanDerWaalsContact OH-O 3.05Å
631	D	60	Low	67.6	Low	131 Å²	131	65.1 Å²	65.1	70%	0.701	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-24.2	177.3	-59.5	-49.9	0	0	0	112.1	K541 N629	K541-D631 PolarHBondContact NZ-O 3.26Å; N629-D631 VanDerWaalsContact C-N 3.27Å; N629-D631 PolarHBondContact O-N 2.87Å
632	E	68	Low	65.4	Low	28 Å²	28	68 Å²	68	13%	0.131	37%	0.369	C	S	.	.			trans	-64	134	-179.6	-171.7	168.4	155.1	0	0	112.3	K541 Y582 N629 N634 T1120 A1121	K541-E632 PolarHBondContact NZ-O 3.49Å; Y582-E632 PolarHBondContact OH-O 3.46Å; N629-E632 HydrophobicContact CB-CB 4.35Å; N629-E632 WeakPolarHBondContact O-CB 3.17Å; N629-E632 PolarHBondContact O-N 2.94Å; E632-N634 VanDerWaalsContact CG-ND2 3.32Å; E632-N634 WeakPolarHBondContact CG-ND2 3.36Å; E632-T1120 WeakPolarHBondContact CG-OG1 3.45Å; E632-T1120 PolarHBondContact OE1-OG1 3.23Å; E632-A1121 PolarHBondContact OE2-N 3.42Å
633	Y	74.8	Confident	62.8	Low	35 Å²	35	67.8 Å²	67.8	14%	0.137	38%	0.378	C	S	.	.			trans	-153.2	116.2	176.5	170.3	-110	0	0	0	109.6	K541 C542 N557 L558 Y582 P635	K541-Y633 HydrophobicContact CB-CD1 3.45Å; K541-Y633 VanDerWaalsContact CB-CD1 3.45Å; K541-Y633 HydrophobicContact CB-CD2 4.4Å; K541-Y633 HydrophobicContact CB-CE1 3.91Å; K541-Y633 HydrophobicContact CB-CG 3.73Å; K541-Y633 VanDerWaalsContact CD-CB 3.43Å; K541-Y633 HydrophobicContact CD-CD1 4.37Å; K541-Y633 HydrophobicContact CD-CD2 4.47Å; K541-Y633 HydrophobicContact CD-CG 3.86Å; K541-Y633 HydrophobicContact CG-CG 4.49Å; C542-Y633 HydrophobicContact CB-CE1 4.4Å; N557-Y633 HydrophobicContact CB-CE2 4.2Å; N557-Y633 WeakPolarHBondContact CB-OH 3.41Å; L558-Y633 PolarHBondContact N-OH 3.43Å; L558-Y633 WeakPolarHBondContact O-CE2 3.42Å; L558-Y633 PolarHBondContact O-OH 2.77Å; Y582-Y633 HydrophobicContact CD2-CD2 4.08Å; Y582-Y633 HydrophobicContact CE2-CD2 4.18Å; Y633-P635 HydrophobicContact CE1-CB 4.38Å; Y633-P635 HydrophobicContact CE1-CG 3.92Å; Y633-P635 HydrophobicContact CE2-CB 4.42Å
634	N	77.1	Confident	60.2	Low	21 Å²	21	68.2 Å²	68.2	11%	0.112	38%	0.38	C	S	.	.			trans	-133.5	91	-177.9	-66.2	-84.6	0	0	0	108.7	E560 E632 R1119 T1120	E560-N634 WeakPolarHBondContact CG-O 3.47Å; E560-N634 PolarHBondContact OE1-N 3.03Å; E632-N634 VanDerWaalsContact CG-ND2 3.32Å; E632-N634 WeakPolarHBondContact CG-ND2 3.36Å; N634-R1119 HydrophobicContact CB-CG 4.05Å; N634-R1119 PolarHBondContact O-NH1 3.12Å; N634-R1119 PolarHBondContact O-NH2 3.01Å; N634-T1120 PolarHBondContact ND2-OG1 2.83Å
635	P	80	Confident	57.7	Low	23 Å²	23	73.5 Å²	73.5	15%	0.149	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-65	165.3	-178.9	25.5	-32.4	0	0	0	112.4	L558 P559 Y633	L558-P635 HydrophobicContact CB-CB 3.46Å; L558-P635 VanDerWaalsContact CB-CB 3.46Å; L558-P635 HydrophobicContact CB-CG 4.43Å; L558-P635 HydrophobicContact CD1-CB 4.31Å; P559-P635 CarbonylContact O-C 3.09Å; P559-P635 WeakPolarHBondContact O-CA 3.42Å; Y633-P635 HydrophobicContact CE1-CB 4.38Å; Y633-P635 HydrophobicContact CE1-CG 3.92Å; Y633-P635 HydrophobicContact CE2-CB 4.42Å
636	V	80.4	Confident	55.1	Low	20 Å²	20	80.2 Å²	80.2	12%	0.121	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-56.6	136.6	166.5	63.8	0	0	0	0	111.1	W550 P559 A561 Y578 I638	W550-V636 HydrophobicContact CH2-CG1 3.83Å; W550-V636 HydrophobicContact CZ3-CG1 3.73Å; P559-V636 HydrophobicContact CG-CG1 4Å; P559-V636 WeakPolarHBondContact O-CG1 3.34Å; P559-V636 PolarHBondContact O-N 3.12Å; A561-V636 HydrophobicContact CB-CB 3.87Å; A561-V636 HydrophobicContact CB-CG2 3.82Å; Y578-V636 HydrophobicContact CE1-CG2 4.21Å; V636-I638 HydrophobicContact CG1-CD1 3.77Å; V636-I638 HydrophobicContact CG1-CG1 4.06Å; V636-I638 HydrophobicContact CG2-CD1 4.33Å; V636-I638 HydrophobicContact CG2-CG1 4.02Å
637	S	66.4	Low	52.9	Low	85 Å²	85	79.6 Å²	79.6	59%	0.594	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-82.7	123.1	169.7	-164.6	0	0	0	0	109.4
638	I	63.2	Low	51.4	Low	42 Å²	42	80.9 Å²	80.9	22%	0.215	44%	0.443	C	S	.	.			trans	-132.9	127.2	178.5	-68.1	177.2	0	0	0	109.5	W550 V636 G640 A641 H642	W550-I638 HydrophobicContact CH2-CD1 3.62Å; W550-I638 HydrophobicContact CZ3-CD1 3.42Å; W550-I638 VanDerWaalsContact CZ3-CD1 3.42Å; V636-I638 HydrophobicContact CG1-CD1 3.77Å; V636-I638 HydrophobicContact CG1-CG1 4.06Å; V636-I638 HydrophobicContact CG2-CD1 4.33Å; V636-I638 HydrophobicContact CG2-CG1 4.02Å; I638-G640 PolarHBondContact O-N 2.82Å; I638-A641 HydrophobicContact CB-CB 3.8Å; I638-A641 HydrophobicContact CG2-CB 3.91Å; I638-A641 WeakPolarHBondContact O-CB 3.48Å; I638-A641 PolarHBondContact O-N 3.25Å; I638-A641 VanDerWaalsContact O-N 3.13Å; I638-H642 PolarHBondContact O-N 2.79Å
639	D	46.5	Very low	50.4	Low	160 Å²	160	74.2 Å²	74.2	86%	0.856	43%	0.432	S	S	*	.	B	Isolated β-bridge	trans	-59.6	121.7	175.8	-80.7	-43.8	0	0	0	111.3	A641	D639-A641 VanDerWaalsContact C-N 3.31Å; D639-A641 PolarHBondContact O-N 2.6Å
640	G	47.2	Very low	49	Very low	20 Å²	20	79.9 Å²	79.9	21%	0.206	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	-13.3	-179.2	0	0	0	0	0	115.5	S515 I638	S515-G640 WeakPolarHBondContact OG-CA 3.33Å; S515-G640 PolarHBondContact OG-O 2.84Å; I638-G640 PolarHBondContact O-N 2.82Å
641	A	40.7	Very low	47.7	Very low	14 Å²	14	83 Å²	83	12%	0.116	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-42.7	163.6	0	0	0	0	0	110.5	G530 I638 D639	G530-A641 WeakPolarHBondContact O-CB 3.45Å; I638-A641 HydrophobicContact CB-CB 3.8Å; I638-A641 HydrophobicContact CG2-CB 3.91Å; I638-A641 WeakPolarHBondContact O-CB 3.48Å; I638-A641 PolarHBondContact O-N 3.25Å; I638-A641 VanDerWaalsContact O-N 3.13Å; D639-A641 VanDerWaalsContact C-N 3.31Å; D639-A641 PolarHBondContact O-N 2.6Å
642	H	41	Very low	46.2	Very low	61 Å²	61	79.9 Å²	79.9	28%	0.282	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-121.8	112.2	164.8	-64	-68.1	0	0	0	109.5	L558 I638 H644	L558-H642 VanDerWaalsContact CD1-NE2 3.31Å; L558-H642 WeakPolarHBondContact CD1-NE2 3.33Å; I638-H642 PolarHBondContact O-N 2.79Å; H642-H644 PolarHBondContact O-N 3.24Å; H642-H644 VanDerWaalsContact O-N 3.09Å
643	A	30	Very low	44.4	Very low	72 Å²	72	83.9 Å²	83.9	60%	0.595	49%	0.494	S	S	*	.	S	Bend	trans	-70.3	104.2	164.4	0	0	0	0	0	108.2
644	H	31.6	Very low	43	Very low	164 Å²	164	86.9 Å²	86.9	76%	0.759	52%	0.518	S	S	*	.			trans	68.3	87.7	-175.4	-56	-72.9	0	0	0	116.9	H642	H642-H644 PolarHBondContact O-N 3.24Å; H642-H644 VanDerWaalsContact O-N 3.09Å
645	R	26.5	Very low	40.8	Very low	182 Å²	182	91.6 Å²	91.6	69%	0.687	55%	0.55	S	S	*	.				-109.3	117.2	122	-82.9	-171.5	173	-174.4	-0.5	108.8
646	L	26.7	Very low	38.6	Very low	165 Å²	165	96.4 Å²	96.4	86%	0.864	58%	0.581	S	S	*	*			trans	-86.2	126.1	163.2	-68.3	164.9	0	0	0	107.4
647	G	26.6	Very low	36.5	Very low	67 Å²	67	102 Å²	102	69%	0.691	61%	0.61	S	S	*	*			cis	167.3	150.2	-9.4	0	0	0	0	0	110.7
648	D	27.5	Very low	35	Very low	102 Å²	102	103.2 Å²	103.2	55%	0.545	62%	0.616	S	S	.	*			trans	-170.7	147	167.1	-136.4	-12.6	0	0	0	107.7	S1116 Q1117	D648-S1116 VanDerWaalsContact OD2-C 3.3Å; D648-S1116 WeakPolarHBondContact OD2-CA 3.22Å; D648-S1116 PolarHBondContact OD2-N 3.23Å; D648-Q1117 PolarHBondContact OD2-N 3.25Å
649	G	28.7	Very low	33.3	Very low	62 Å²	62	109 Å²	109	64%	0.639	64%	0.642	S	S	*	*			cis	-170.3	-164.2	0.4	0	0	0	0	0	110.9
650	T	27.6	Very low	32.8	Very low	129 Å²	129	109 Å²	109	79%	0.791	64%	0.642	S	S	*	*			trans	-135.3	133.3	-178.2	-35.1	0	0	0	0	111.5
651	E	31.9	Very low	32.1	Very low	159 Å²	159	113.5 Å²	113.5	74%	0.743	67%	0.667	S	S	*	*			trans	-75.9	169.1	172.2	-127.6	-152	128	0	0	110.9
652	A	27.9	Very low	31.5	Very low	66 Å²	66	119.1 Å²	119.1	55%	0.545	70%	0.7	S	S	.	*			cis	-151.8	-160.8	11.6	0	0	0	0	0	108.3
653	P	30.5	Very low	31.1	Very low	112 Å²	112	124.8 Å²	124.8	73%	0.727	72%	0.724	S	S	*	*			cis	-131.8	177.4	-4	42.6	-25.2	0	0	0	115.5
654	P	44.3	Very low	30.9	Very low	99 Å²	99	128.8 Å²	128.8	64%	0.643	73%	0.734	S	S	*	*			trans	-88.4	153.3	175.7	36.6	-36.2	0	0	0	113
655	P	32.3	Very low	31.1	Very low	119 Å²	119	127.1 Å²	127.1	77%	0.773	73%	0.729	S	S	*	*				-152.7	-161.4	83.6	43.4	-24.6	0	0	0	113.3
656	P	32.6	Very low	31	Very low	124 Å²	124	126.5 Å²	126.5	81%	0.805	74%	0.739	S	S	*	*			cis	-121.6	-175.3	-23.8	20.8	3.7	0	0	0	114.1
657	D	36.3	Very low	31.2	Very low	137 Å²	137	125 Å²	125	73%	0.733	74%	0.736	S	S	*	*			trans	-71.1	155.9	177	-171.6	31.3	0	0	0	114	Q659	D657-Q659 PolarHBondContact OD1-N 3.33Å; D657-Q659 VanDerWaalsContact OD1-N 3.11Å
658	P	36.1	Very low	31.1	Very low	112 Å²	112	125.6 Å²	125.6	73%	0.727	74%	0.743	S	S	*	*				-148.9	129.6	102.2	36.6	-18.6	0	0	0	118.3
659	Q	27.2	Very low	31.5	Very low	162 Å²	162	129.3 Å²	129.3	76%	0.757	76%	0.757	S	S	*	*			trans	57.2	109.1	132.7	-61.4	-172.3	-27.4	0	0	122.5	D657	D657-Q659 PolarHBondContact OD1-N 3.33Å; D657-Q659 VanDerWaalsContact OD1-N 3.11Å
660	L	36.2	Very low	31.9	Very low	162 Å²	162	135.1 Å²	135.1	85%	0.848	77%	0.765	S	S	*	*				26.1	137.7	124.9	-73.9	169.1	0	0	0	120.8
661	P	32.4	Very low	32.1	Very low	113 Å²	113	133.9 Å²	133.9	73%	0.734	77%	0.767	S	S	*	*				-148.9	144.3	90.3	39.2	-22.6	0	0	0	119.4
662	T	27.5	Very low	32.7	Very low	132 Å²	132	135.9 Å²	135.9	81%	0.81	77%	0.773	S	S	*	*			trans	43	136.3	144.5	56.6	0	0	0	0	124.8
663	K	32.1	Very low	33	Very low	181 Å²	181	138.5 Å²	138.5	79%	0.787	78%	0.783	S	S	*	*			trans	-65.8	155.6	164.6	-50.7	168.2	-178.8	174.5	0	113.3
664	I	26.9	Very low	32.9	Very low	156 Å²	156	139.3 Å²	139.3	80%	0.8	78%	0.78	S	S	*	*			trans	-130	139.5	138.4	-64.3	-175.9	0	0	0	108.6	L666	I664-L666 HydrophobicContact CG2-CG 4.34Å
665	I	34.1	Very low	32.5	Very low	129 Å²	129	139.9 Å²	139.9	66%	0.662	77%	0.774	S	S	*	*			trans	-116.4	138.2	170	-61.9	170.5	0	0	0	106.8	T667	I665-T667 HydrophobicContact CG2-CG2 4.25Å
666	L	26	Very low	33	Very low	169 Å²	169	143.1 Å²	143.1	89%	0.885	78%	0.776	S	S	*	*			trans	-124.4	115.2	169	-77.7	172.1	0	0	0	110.7	I664	I664-L666 HydrophobicContact CG2-CG 4.34Å
667	T	30.2	Very low	33.8	Very low	132 Å²	132	143.8 Å²	143.8	81%	0.81	77%	0.768	S	S	*	*			trans	-95.6	130.3	177.9	48.9	0	0	0	0	111.1	I665	I665-T667 HydrophobicContact CG2-CG2 4.25Å
668	G	24.7	Very low	34	Very low	81 Å²	81	141.5 Å²	141.5	84%	0.835	75%	0.753	S	S	*	*			trans	-137.3	83.2	-175.8	0	0	0	0	0	113.8
669	Q	35.8	Very low	34.3	Very low	179 Å²	179	143.3 Å²	143.3	84%	0.836	76%	0.756	S	S	*	*			trans	-24.3	143.7	177.6	-57.2	179.8	-0.3	0	0	120.9
670	K	37	Very low	35	Very low	185 Å²	185	141.6 Å²	141.6	80%	0.804	76%	0.757	S	S	*	*	S	Bend	trans	80.4	129.9	162.8	-62.8	-178.9	179.9	178.5	0	118.2
671	A	33	Very low	35.3	Very low	102 Å²	102	136.3 Å²	136.3	84%	0.843	73%	0.729	S	S	*	*	S	Bend	trans	70.8	131.8	175.4	0	0	0	0	0	117.6
672	K	43.7	Very low	36.2	Very low	202 Å²	202	134.1 Å²	134.1	88%	0.878	72%	0.716	S	S	*	*			trans	-48.6	125.1	-170.2	-63.4	175.8	173.6	-176.1	0	115.5
673	T	33.1	Very low	37.1	Very low	120 Å²	120	139 Å²	139	74%	0.736	72%	0.719	S	S	*	*			trans	-94.7	108.3	154.9	48.8	0	0	0	0	109.6
674	L	30.4	Very low	37.9	Very low	130 Å²	130	133.6 Å²	133.6	68%	0.681	71%	0.709	S	S	*	*			trans	-72.1	134.3	169.4	-71.4	165.9	0	0	0	109.5	E678	L674-E678 WeakPolarHBondContact CD2-OE2 3.49Å
675	H	35.2	Very low	39	Very low	110 Å²	110	130.2 Å²	130.2	51%	0.509	69%	0.69	S	S	.	*			trans	-85.2	143.1	173.6	-84.6	-118.4	0	0	0	110.8	E677 E678	H675-E677 PolarHBondContact O-N 2.93Å; H675-E677 VanDerWaalsContact O-N 3.07Å; H675-E678 PolarHBondContact N-OE1 3.32Å; H675-E678 PolarHBondContact O-N 3.3Å; H675-E678 VanDerWaalsContact O-N 3.11Å
676	K	43	Very low	40	Very low	187 Å²	187	130.2 Å²	130.2	81%	0.813	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-59.5	-22.4	-179.4	-171	177.6	176.2	-175	0	112.9	E678	K676-E678 VanDerWaalsContact C-N 3.33Å; K676-E678 PolarHBondContact O-N 3.15Å
677	E	48.1	Very low	41.3	Very low	139 Å²	139	125.9 Å²	125.9	65%	0.65	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-66.1	-24.7	177.2	-68.1	137.2	-126.8	0	0	114	H675 L679 T680	H675-E677 PolarHBondContact O-N 2.93Å; H675-E677 VanDerWaalsContact O-N 3.07Å; E677-L679 PolarHBondContact O-N 3.12Å; E677-L679 VanDerWaalsContact O-N 3.17Å; E677-T680 PolarHBondContact O-OG1 3.13Å
678	E	41	Very low	42.3	Very low	89 Å²	89	125 Å²	125	42%	0.416	65%	0.654	S	S	.	*	G	3₁₀ helix	trans	-67.6	-17.3	-178.8	-68.2	179.4	-135.6	0	0	113.7	L674 H675 K676 T680 R686	L674-E678 WeakPolarHBondContact CD2-OE2 3.49Å; H675-E678 PolarHBondContact N-OE1 3.32Å; H675-E678 PolarHBondContact O-N 3.3Å; H675-E678 VanDerWaalsContact O-N 3.11Å; K676-E678 VanDerWaalsContact C-N 3.33Å; K676-E678 PolarHBondContact O-N 3.15Å; E678-T680 PolarHBondContact O-N 2.8Å; E678-R686 PolarHBondContact O-NH2 3.01Å
679	L	42.2	Very low	43.7	Very low	149 Å²	149	126.6 Å²	126.6	78%	0.78	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-78.3	-12.7	-175.3	-72	171.7	0	0	0	114.6	E677	E677-L679 PolarHBondContact O-N 3.12Å; E677-L679 VanDerWaalsContact O-N 3.17Å
680	T	43.3	Very low	44.7	Very low	127 Å²	127	123.5 Å²	123.5	78%	0.779	63%	0.626	S	S	*	*	S	Bend	trans	-112.5	-5.1	-177.7	44.3	0	0	0	0	115	E677 E678	E677-T680 PolarHBondContact O-OG1 3.13Å; E678-T680 PolarHBondContact O-N 2.8Å
681	M	40.8	Very low	45.6	Very low	51 Å²	51	117 Å²	117	25%	0.251	60%	0.604	S	S	.	*			trans	-68.7	136.7	-176.3	-67.9	-158	-54.5	0	0	113.7	E685 R686	M681-E685 WeakPolarHBondContact CA-OE2 3.38Å; M681-E685 HydrophobicContact CB-CG 4.33Å; M681-E685 WeakPolarHBondContact CB-OE2 3.39Å; M681-E685 HydrophobicContact CG-CG 4.41Å; M681-E685 HydrophobicContact SD-CG 4.12Å; M681-R686 HydrophobicContact CB-CG 4.25Å; M681-R686 HydrophobicContact CE-CG 4.05Å
682	S	52.1	Low	46.7	Very low	67 Å²	67	116.5 Å²	116.5	47%	0.469	59%	0.586	S	S	.	*			trans	-67.1	155.4	179.2	177.7	0	0	0	0	112.7	A684 E685 R686	S682-A684 PolarHBondContact O-N 3.45Å; S682-A684 PolarHBondContact OG-N 2.83Å; S682-E685 PolarHBondContact N-OE2 2.85Å; S682-E685 WeakPolarHBondContact O-CB 3.39Å; S682-E685 PolarHBondContact O-N 2.87Å; S682-E685 VanDerWaalsContact O-N 3.15Å; S682-R686 PolarHBondContact O-N 2.94Å
683	R	47.5	Very low	47.3	Very low	233 Å²	233	110.1 Å²	110.1	88%	0.879	57%	0.567	S	S	*	*	H	α-helix	trans	-62.2	-31.4	174.2	-165.5	176	-174.5	176.5	2	112.1	S687	R683-S687 PolarHBondContact O-N 3.33Å
684	A	48.4	Very low	48.2	Very low	69 Å²	69	109.7 Å²	109.7	57%	0.57	56%	0.556	S	S	*	*	H	α-helix	trans	-71	-41.9	173.4	0	0	0	0	0	111.8	S682 S687 L688	S682-A684 PolarHBondContact O-N 3.45Å; S682-A684 PolarHBondContact OG-N 2.83Å; A684-S687 WeakPolarHBondContact O-CB 3.28Å; A684-S687 PolarHBondContact O-N 2.89Å; A684-L688 WeakPolarHBondContact O-CB 3.41Å; A684-L688 PolarHBondContact O-N 3.48Å
685	E	48.9	Very low	49.2	Very low	85 Å²	85	109.4 Å²	109.4	40%	0.397	55%	0.552	S	S	.	*	H	α-helix	trans	-64.2	-44.3	-179.6	-175.2	174.1	-154.4	0	0	111.9	M681 S682 S687 L688 Q689	M681-E685 WeakPolarHBondContact CA-OE2 3.38Å; M681-E685 HydrophobicContact CB-CG 4.33Å; M681-E685 WeakPolarHBondContact CB-OE2 3.39Å; M681-E685 HydrophobicContact CG-CG 4.41Å; M681-E685 HydrophobicContact SD-CG 4.12Å; S682-E685 PolarHBondContact N-OE2 2.85Å; S682-E685 WeakPolarHBondContact O-CB 3.39Å; S682-E685 PolarHBondContact O-N 2.87Å; S682-E685 VanDerWaalsContact O-N 3.15Å; E685-S687 VanDerWaalsContact C-N 3.33Å; E685-S687 PolarHBondContact O-N 3.2Å; E685-L688 PolarHBondContact O-N 3.27Å; E685-Q689 WeakPolarHBondContact O-CB 3.27Å; E685-Q689 PolarHBondContact O-N 3.06Å
686	R	55.1	Low	49.6	Very low	129 Å²	129	105.5 Å²	105.5	49%	0.487	54%	0.539	S	S	.	.	H	α-helix	trans	-59.3	-42.1	171.2	-69	176.4	-178	180	0.5	112.1	E678 M681 S682 Q690	E678-R686 PolarHBondContact O-NH2 3.01Å; M681-R686 HydrophobicContact CB-CG 4.25Å; M681-R686 HydrophobicContact CE-CG 4.05Å; S682-R686 PolarHBondContact O-N 2.94Å; R686-Q690 WeakPolarHBondContact O-CB 3.29Å; R686-Q690 PolarHBondContact O-N 3.31Å
687	S	53.2	Low	49.7	Very low	77 Å²	77	103.4 Å²	103.4	54%	0.538	53%	0.53	S	S	.	.	H	α-helix	trans	-67.6	-35.4	176.9	-167.1	0	0	0	0	112.6	R683 A684 E685 S691	R683-S687 PolarHBondContact O-N 3.33Å; A684-S687 WeakPolarHBondContact O-CB 3.28Å; A684-S687 PolarHBondContact O-N 2.89Å; E685-S687 VanDerWaalsContact C-N 3.33Å; E685-S687 PolarHBondContact O-N 3.2Å; S687-S691 WeakPolarHBondContact O-CB 3.42Å; S687-S691 PolarHBondContact O-N 2.63Å
688	L	51.3	Low	49.9	Very low	113 Å²	113	100.5 Å²	100.5	59%	0.592	52%	0.521	S	S	*	.	H	α-helix	trans	-71.4	-47.6	177.7	-161	80.1	0	0	0	110.7	A684 E685 Q690 S691 I692	A684-L688 WeakPolarHBondContact O-CB 3.41Å; A684-L688 PolarHBondContact O-N 3.48Å; E685-L688 PolarHBondContact O-N 3.27Å; L688-Q690 VanDerWaalsContact C-N 3.32Å; L688-Q690 PolarHBondContact O-N 3.24Å; L688-S691 PolarHBondContact O-N 3.13Å; L688-I692 HydrophobicContact CD2-CD1 4.19Å; L688-I692 HydrophobicContact CG-CD1 3.93Å; L688-I692 WeakPolarHBondContact O-CB 3.48Å; L688-I692 VanDerWaalsContact O-CG1 3.24Å; L688-I692 WeakPolarHBondContact O-CG1 3.43Å; L688-I692 PolarHBondContact O-N 3.35Å
689	Q	55	Low	50.4	Low	116 Å²	116	99.8 Å²	99.8	54%	0.542	53%	0.526	S	S	.	.	H	α-helix	trans	-59.4	-42.2	176.3	-170.4	-176	36.4	0	0	111.6	E685 I692 S693	E685-Q689 WeakPolarHBondContact O-CB 3.27Å; E685-Q689 PolarHBondContact O-N 3.06Å; Q689-I692 PolarHBondContact O-N 3.16Å; Q689-S693 WeakPolarHBondContact O-CB 3.41Å; Q689-S693 PolarHBondContact O-N 3.35Å
690	Q	56.7	Low	50.6	Low	114 Å²	114	98.9 Å²	98.9	53%	0.533	52%	0.518	S	S	.	.	H	α-helix	trans	-62.8	-49.9	174.5	-176.6	171.8	-7.9	0	0	111.3	R686 L688 I692 S693 E694	R686-Q690 WeakPolarHBondContact O-CB 3.29Å; R686-Q690 PolarHBondContact O-N 3.31Å; L688-Q690 VanDerWaalsContact C-N 3.32Å; L688-Q690 PolarHBondContact O-N 3.24Å; Q690-I692 VanDerWaalsContact C-N 3.33Å; Q690-I692 PolarHBondContact O-N 3.42Å; Q690-S693 PolarHBondContact O-N 2.89Å; Q690-S693 VanDerWaalsContact O-N 3.11Å; Q690-S693 PolarHBondContact O-OG 3.44Å; Q690-E694 VanDerWaalsContact CG-OE1 3.25Å; Q690-E694 WeakPolarHBondContact CG-OE1 3.28Å; Q690-E694 PolarHBondContact NE2-OE1 2.82Å; Q690-E694 WeakPolarHBondContact O-CG 3.41Å; Q690-E694 PolarHBondContact O-N 2.87Å
691	S	55.6	Low	50.6	Low	48 Å²	48	99.1 Å²	99.1	34%	0.336	51%	0.508	S	S	.	.	H	α-helix	trans	-58.3	-42.3	177.3	-169.6	0	0	0	0	112.8	S687 L688 E694 Q695	S687-S691 WeakPolarHBondContact O-CB 3.42Å; S687-S691 PolarHBondContact O-N 2.63Å; L688-S691 PolarHBondContact O-N 3.13Å; S691-E694 PolarHBondContact O-N 2.8Å; S691-Q695 WeakPolarHBondContact O-CB 3.47Å; S691-Q695 WeakPolarHBondContact O-CG 3.48Å; S691-Q695 PolarHBondContact O-N 3Å
692	I	55.7	Low	50.9	Low	92 Å²	92	106.7 Å²	106.7	47%	0.472	53%	0.534	S	S	.	.	H	α-helix	trans	-62.7	-44.3	175.2	-70.4	164.9	0	0	0	110.4	L688 Q689 Q690 E694 Q695 A696	L688-I692 HydrophobicContact CD2-CD1 4.19Å; L688-I692 HydrophobicContact CG-CD1 3.93Å; L688-I692 WeakPolarHBondContact O-CB 3.48Å; L688-I692 VanDerWaalsContact O-CG1 3.24Å; L688-I692 WeakPolarHBondContact O-CG1 3.43Å; L688-I692 PolarHBondContact O-N 3.35Å; Q689-I692 PolarHBondContact O-N 3.16Å; Q690-I692 VanDerWaalsContact C-N 3.33Å; Q690-I692 PolarHBondContact O-N 3.42Å; I692-E694 VanDerWaalsContact C-N 3.35Å; I692-E694 PolarHBondContact O-N 2.93Å; I692-Q695 PolarHBondContact O-N 3.06Å; I692-A696 WeakPolarHBondContact O-CB 3.37Å; I692-A696 PolarHBondContact O-N 2.92Å
693	S	56.4	Low	50.6	Low	68 Å²	68	114.1 Å²	114.1	48%	0.476	55%	0.552	S	S	.	*	H	α-helix	trans	-63.4	-39	178.9	76.6	0	0	0	0	113	Q689 Q690 F697	Q689-S693 WeakPolarHBondContact O-CB 3.41Å; Q689-S693 PolarHBondContact O-N 3.35Å; Q690-S693 PolarHBondContact O-N 2.89Å; Q690-S693 VanDerWaalsContact O-N 3.11Å; Q690-S693 PolarHBondContact O-OG 3.44Å; S693-F697 PolarHBondContact O-N 2.86Å
694	E	52.6	Low	50.2	Low	110 Å²	110	107.4 Å²	107.4	51%	0.514	54%	0.541	S	S	.	.	H	α-helix	trans	-71.6	-43.2	178.2	-69.2	171.9	-170	0	0	111.1	Q690 S691 I692 V698	Q690-E694 VanDerWaalsContact CG-OE1 3.25Å; Q690-E694 WeakPolarHBondContact CG-OE1 3.28Å; Q690-E694 PolarHBondContact NE2-OE1 2.82Å; Q690-E694 WeakPolarHBondContact O-CG 3.41Å; Q690-E694 PolarHBondContact O-N 2.87Å; S691-E694 PolarHBondContact O-N 2.8Å; I692-E694 VanDerWaalsContact C-N 3.35Å; I692-E694 PolarHBondContact O-N 2.93Å; E694-V698 WeakPolarHBondContact O-CG2 3.49Å; E694-V698 PolarHBondContact O-N 2.91Å
695	Q	51.3	Low	49.8	Very low	124 Å²	124	110.3 Å²	110.3	58%	0.579	55%	0.546	S	S	*	.	H	α-helix	trans	-70.5	-35.1	177	-70.3	-175.5	16.3	0	0	113.1	S691 I692 V698 S699	S691-Q695 WeakPolarHBondContact O-CB 3.47Å; S691-Q695 WeakPolarHBondContact O-CG 3.48Å; S691-Q695 PolarHBondContact O-N 3Å; I692-Q695 PolarHBondContact O-N 3.06Å; Q695-V698 PolarHBondContact O-N 3.42Å; Q695-S699 VanDerWaalsContact O-CB 3.23Å; Q695-S699 WeakPolarHBondContact O-CB 3.34Å; Q695-S699 PolarHBondContact O-N 2.78Å; Q695-S699 PolarHBondContact O-OG 2.94Å
696	A	44	Very low	49.6	Very low	29 Å²	29	115.4 Å²	115.4	24%	0.24	57%	0.567	C	S	.	*	H	α-helix	trans	-62.8	-45.5	175.1	0	0	0	0	0	111.1	I692 V698 S699 Q700	I692-A696 WeakPolarHBondContact O-CB 3.37Å; I692-A696 PolarHBondContact O-N 2.92Å; A696-V698 PolarHBondContact O-N 2.84Å; A696-S699 PolarHBondContact O-N 2.89Å; A696-Q700 WeakPolarHBondContact O-CB 3.29Å; A696-Q700 WeakPolarHBondContact O-CG 3.36Å; A696-Q700 PolarHBondContact O-N 2.97Å
697	F	44.2	Very low	48.7	Very low	143 Å²	143	116.8 Å²	116.8	63%	0.627	58%	0.583	S	S	*	*	H	α-helix	trans	-62	-43.7	177.6	-171.8	-105.3	0	0	0	112.3	S693 K701	S693-F697 PolarHBondContact O-N 2.86Å; F697-K701 WeakPolarHBondContact O-CB 3.43Å; F697-K701 PolarHBondContact O-N 3.04Å; F697-K701 VanDerWaalsContact O-N 3.08Å
698	V	52	Low	47.8	Very low	77 Å²	77	122.7 Å²	122.7	47%	0.467	60%	0.599	S	S	.	*	H	α-helix	trans	-65.4	-39.1	176	172.9	0	0	0	0	111.9	E694 Q695 A696 R702	E694-V698 WeakPolarHBondContact O-CG2 3.49Å; E694-V698 PolarHBondContact O-N 2.91Å; Q695-V698 PolarHBondContact O-N 3.42Å; A696-V698 PolarHBondContact O-N 2.84Å; V698-R702 PolarHBondContact O-N 2.96Å; V698-R702 VanDerWaalsContact O-N 3.12Å
699	S	51.6	Low	46.9	Very low	75 Å²	75	123.2 Å²	123.2	52%	0.524	61%	0.61	S	S	.	*	H	α-helix	trans	-73.5	-39.5	-177.9	-59.9	0	0	0	0	112.8	Q695 A696 R703	Q695-S699 VanDerWaalsContact O-CB 3.23Å; Q695-S699 WeakPolarHBondContact O-CB 3.34Å; Q695-S699 PolarHBondContact O-N 2.78Å; Q695-S699 PolarHBondContact O-OG 2.94Å; A696-S699 PolarHBondContact O-N 2.89Å; S699-R703 PolarHBondContact O-N 3.34Å
700	Q	46.3	Very low	45.7	Very low	129 Å²	129	125 Å²	125	60%	0.603	62%	0.623	S	S	*	*	H	α-helix	trans	-63.8	-45.3	171.8	-72.7	-177.1	2.7	0	0	111	A696 R702 R703 S704	A696-Q700 WeakPolarHBondContact O-CB 3.29Å; A696-Q700 WeakPolarHBondContact O-CG 3.36Å; A696-Q700 PolarHBondContact O-N 2.97Å; Q700-R702 PolarHBondContact O-N 3.37Å; Q700-R703 PolarHBondContact O-N 3.45Å; Q700-S704 PolarHBondContact O-N 3.04Å
701	K	44.7	Very low	44.9	Very low	132 Å²	132	124.5 Å²	124.5	57%	0.574	63%	0.63	S	S	*	*	H	α-helix	trans	-59.5	-43.8	179.9	-166.3	168.3	-175.2	176.1	0	112.4	F697 R703 S704	F697-K701 WeakPolarHBondContact O-CB 3.43Å; F697-K701 PolarHBondContact O-N 3.04Å; F697-K701 VanDerWaalsContact O-N 3.08Å; K701-R703 PolarHBondContact O-N 3.11Å; K701-S704 PolarHBondContact O-N 2.89Å
702	R	46.8	Very low	43.6	Very low	211 Å²	211	131.9 Å²	131.9	80%	0.796	66%	0.656	S	S	*	*	H	α-helix	trans	-65.7	-14.7	175.2	-78.9	-176.3	170.4	-179	-1.5	115.1	V698 Q700	V698-R702 PolarHBondContact O-N 2.96Å; V698-R702 VanDerWaalsContact O-N 3.12Å; Q700-R702 PolarHBondContact O-N 3.37Å
703	R	45.9	Very low	42.2	Very low	223 Å²	223	131.3 Å²	131.3	84%	0.842	67%	0.672	S	S	*	*	H	α-helix	trans	-99	-21.9	-178.4	-136.9	173.8	-173.4	179.3	1.3	113.6	S699 Q700 K701	S699-R703 PolarHBondContact O-N 3.34Å; Q700-R703 PolarHBondContact O-N 3.45Å; K701-R703 PolarHBondContact O-N 3.11Å
704	S	38.8	Very low	40.9	Very low	92 Å²	92	138 Å²	138	64%	0.643	70%	0.696	S	S	*	*	H	α-helix	trans	-78.1	-31.8	176.7	-64.2	0	0	0	0	113.8	Q700 K701 K706	Q700-S704 PolarHBondContact O-N 3.04Å; K701-S704 PolarHBondContact O-N 2.89Å; S704-K706 PolarHBondContact O-N 2.67Å
705	D	40.3	Very low	39.6	Very low	130 Å²	130	136 Å²	136	70%	0.695	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	19.9	-173.2	-68.3	-20.3	0	0	0	115.3
706	K	45.1	Very low	38.5	Very low	191 Å²	191	141.7 Å²	141.7	83%	0.83	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.9	-4.6	179.8	-90.7	-166.5	173	-173.2	0	117.2	S704	S704-K706 PolarHBondContact O-N 2.67Å
707	L	36.1	Very low	37.7	Very low	158 Å²	158	145.8 Å²	145.8	83%	0.827	74%	0.743	S	S	*	*	S	Bend	trans	-142.3	74.5	-178.7	-75	177.4	0	0	0	114.4
708	K	33	Very low	36.8	Very low	201 Å²	201	144.2 Å²	144.2	87%	0.874	75%	0.75	S	S	*	*			trans	-173.7	141.9	134.2	-107	165	-175.1	179.9	0	112.8
709	P	33.3	Very low	35.5	Very low	125 Å²	125	145.9 Å²	145.9	81%	0.812	77%	0.765	S	S	*	*			trans	-75.8	155.6	161.1	-13.2	30	0	0	0	112.7
710	D	29.4	Very low	35.3	Very low	153 Å²	153	147.6 Å²	147.6	82%	0.818	77%	0.774	S	S	*	*			trans	-66.8	175.5	169.6	-119.6	-28.9	0	0	0	111.9
711	P	40.5	Very low	34.2	Very low	104 Å²	104	147.4 Å²	147.4	68%	0.675	79%	0.787	S	S	*	*			cis	-148.8	171.5	35.9	46.6	-26.9	0	0	0	120.2
712	K	27.3	Very low	33.3	Very low	202 Å²	202	144.3 Å²	144.3	88%	0.878	79%	0.792	S	S	*	*			trans	83.1	122.3	156.2	-60.3	178	-177.4	176.2	0	119.3
713	G	27.1	Very low	32.2	Very low	80 Å²	80	139.7 Å²	139.7	83%	0.825	79%	0.793	S	S	*	*			trans	161.4	110	155.5	0	0	0	0	0	115
714	Q	28.6	Very low	32.3	Very low	210 Å²	210	133.9 Å²	133.9	98%	0.981	78%	0.784	S	S	*	*			trans	-74.5	153.5	168	-61.2	152.6	-30.7	0	0	109.8
715	G	26	Very low	31.7	Very low	66 Å²	66	137.5 Å²	137.5	68%	0.68	79%	0.791	S	S	*	*			cis	149.7	149.6	-5.4	0	0	0	0	0	111.9
716	R	28.2	Very low	31.1	Very low	244 Å²	244	136.5 Å²	136.5	92%	0.921	79%	0.79	S	S	*	*			trans	67	158.4	175.8	-60.8	-176.6	169.3	176.7	-4.3	116.5
717	T	25.6	Very low	30.3	Very low	115 Å²	115	132.9 Å²	132.9	71%	0.706	79%	0.788	S	S	*	*			cis	-160.3	167.1	-29.7	27.1	0	0	0	0	109.2
718	S	26.2	Very low	30	Very low	111 Å²	111	129.9 Å²	129.9	78%	0.776	78%	0.78	S	S	*	*			trans	66.2	126.6	148.8	52.1	0	0	0	0	122.2
719	S	24.8	Very low	29.7	Very low	111 Å²	111	125.3 Å²	125.3	78%	0.776	77%	0.774	S	S	*	*			trans	-67.9	-171.6	156.2	-30.8	0	0	0	0	112.1
720	P	47.3	Very low	29.4	Very low	111 Å²	111	124.2 Å²	124.2	72%	0.721	77%	0.769	S	S	*	*			cis	-140.9	-169	-1.1	42.5	-23.5	0	0	0	116.2
721	S	24.3	Very low	29.2	Very low	125 Å²	125	121.4 Å²	121.4	87%	0.874	77%	0.767	S	S	*	*			trans	77.1	153.5	150.4	74.6	0	0	0	0	120.3
722	G	24	Very low	29.1	Very low	67 Å²	67	122.2 Å²	122.2	69%	0.691	77%	0.772	S	S	*	*			trans	141.5	114.8	172.9	0	0	0	0	0	115.9
723	S	23.9	Very low	29	Very low	114 Å²	114	116.5 Å²	116.5	80%	0.797	76%	0.763	S	S	*	*			trans	-175.1	156.3	171.9	54.9	0	0	0	0	110
724	P	47.9	Very low	28.9	Very low	102 Å²	102	118.9 Å²	118.9	66%	0.662	76%	0.762	S	S	*	*			cis	-132.9	-160.9	-4.2	41.8	-23.1	0	0	0	113.5
725	E	27.5	Very low	29.2	Very low	167 Å²	167	114.9 Å²	114.9	78%	0.78	75%	0.754	S	S	*	*			trans	69.1	159.9	152.9	-73.4	175.9	-141.8	0	0	119.7
726	T	26.3	Very low	29.2	Very low	110 Å²	110	117 Å²	117	68%	0.675	75%	0.754	S	S	*	*			cis	-153.5	150.7	-3.2	-0	0	0	0	0	113.2
727	S	29.9	Very low	29.1	Very low	114 Å²	114	114.4 Å²	114.4	80%	0.797	75%	0.749	S	S	*	*			trans	68.2	171.8	146.5	82.7	0	0	0	0	119.3
728	S	30	Very low	28.9	Very low	95 Å²	95	114.6 Å²	114.6	66%	0.664	75%	0.75	S	S	*	*			cis	-154.2	177.1	9.4	72.2	0	0	0	0	114.7
729	S	25.9	Very low	28.7	Very low	105 Å²	105	114.6 Å²	114.6	73%	0.734	75%	0.75	S	S	*	*			trans	81.8	148.7	153.2	-60.3	0	0	0	0	119.4
730	S	26.2	Very low	28.7	Very low	103 Å²	103	114.6 Å²	114.6	72%	0.72	75%	0.75	S	S	*	*			cis	-170.6	136.7	-18.1	51.7	0	0	0	0	114.6
731	A	24.8	Very low	28.3	Very low	93 Å²	93	114.8 Å²	114.8	77%	0.769	75%	0.751	S	S	*	*			trans	68.4	165.8	142.3	0	0	0	0	0	120.9
732	P	38.9	Very low	28.3	Very low	122 Å²	122	113.5 Å²	113.5	79%	0.792	74%	0.742	S	S	*	*				-140.9	163	-61.3	41.6	-26.8	0	0	0	117.6
733	A	25.7	Very low	28.4	Very low	82 Å²	82	115.2 Å²	115.2	68%	0.678	74%	0.744	S	S	*	*			trans	69.2	101.7	139.4	0	0	0	0	0	124.4
734	T	25.4	Very low	28.6	Very low	130 Å²	130	115.3 Å²	115.3	80%	0.798	74%	0.744	S	S	*	*				56.6	151.6	124.7	44	0	0	0	0	122.7
735	P	35.4	Very low	28.1	Very low	126 Å²	126	114.7 Å²	114.7	82%	0.818	74%	0.742	S	S	*	*			cis	-140.2	-157.5	38.6	42.2	-20.8	0	0	0	118
736	T	25	Very low	29.1	Very low	111 Å²	111	113.6 Å²	113.6	68%	0.681	74%	0.742	S	S	*	*			trans	-110.7	161.5	-143.5	51.3	0	0	0	0	118.6
737	K	25.5	Very low	30.6	Very low	189 Å²	189	116.2 Å²	116.2	82%	0.822	74%	0.744	S	S	*	*			trans	68.3	158.2	146.9	-76	173.6	178.6	-177.9	0	116.8
738	T	22.6	Very low	32.5	Very low	118 Å²	118	115.8 Å²	115.8	72%	0.724	73%	0.73	S	S	*	*			cis	-156	176.3	3.3	-5	0	0	0	0	112.3
739	S	21.9	Very low	34.6	Very low	112 Å²	112	112.3 Å²	112.3	78%	0.783	70%	0.702	S	S	*	*			trans	73.3	141	146.9	50.3	0	0	0	0	123.2
740	S	25.1	Very low	37.2	Very low	111 Å²	111	111.3 Å²	111.3	78%	0.776	69%	0.685	S	S	*	*			trans	-72.7	-178.3	166	-29.6	0	0	0	0	112.4
741	P	38.6	Very low	39.9	Very low	114 Å²	114	106.4 Å²	106.4	74%	0.74	65%	0.651	S	S	*	*			cis	-138	-171.3	0.6	41.9	-23.3	0	0	0	116.1
742	S	23.4	Very low	42.5	Very low	98 Å²	98	106.9 Å²	106.9	69%	0.685	63%	0.632	S	S	*	*			trans	75.2	127.2	149.2	74.1	0	0	0	0	123.3
743	S	26.4	Very low	44.7	Very low	103 Å²	103	101 Å²	101	72%	0.72	60%	0.595	S	S	*	*			trans	86.5	135.9	135.3	83.4	0	0	0	0	121.5
744	S	28.2	Very low	47.3	Very low	116 Å²	116	99.5 Å²	99.5	81%	0.811	58%	0.577	S	S	*	*			trans	66.3	146	172	84.4	0	0	0	0	116.4
745	S	38.5	Very low	49.9	Very low	89 Å²	89	93.5 Å²	93.5	62%	0.622	54%	0.54	S	S	*	.			cis	-136.1	119.9	5.4	54.2	0	0	0	0	113
746	N	46.8	Very low	51.8	Low	144 Å²	144	91.1 Å²	91.1	77%	0.77	53%	0.527	S	S	*	.			trans	-126.4	86.5	149.6	-128.9	-20.2	0	0	0	104.9	E748	N746-E748 PolarHBondContact O-N 3.32Å
747	K	58.2	Low	53.9	Low	165 Å²	165	89.9 Å²	89.9	72%	0.717	52%	0.516	S	S	*	.			trans	-73	-6.9	-169.2	-73.3	-177.6	178.4	-179.4	0	113.2	P766 A767	K747-P766 CarbonylContact O-C 3.54Å; K747-P766 WeakPolarHBondContact O-CA 3.28Å; K747-A767 PolarHBondContact O-N 3.12Å
748	E	69.9	Low	55.8	Low	106 Å²	106	83.7 Å²	83.7	50%	0.495	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	130.5	-172.4	-65.4	174.4	-173.1	0	0	112	N746 T764 L765	N746-E748 PolarHBondContact O-N 3.32Å; E748-T764 HydrophobicContact CB-CG2 3.92Å; E748-T764 HydrophobicContact CG-CG2 4.12Å; E748-T764 WeakPolarHBondContact OE2-CG2 3.37Å; E748-L765 CarbonylContact C-O 3.59Å; E748-L765 VanDerWaalsContact CA-O 3.28Å; E748-L765 WeakPolarHBondContact CA-O 3.47Å
749	K	74.7	Confident	58.5	Low	21 Å²	21	83.3 Å²	83.3	9%	0.091	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.5	168.5	58.8	-171.6	-178	-171.9	0	109.6	L765 A767 V812 L814 H816	K749-L765 HydrophobicContact CG-CB 4.19Å; K749-L765 PolarHBondContact N-O 2.7Å; K749-L765 PolarHBondContact O-N 3.45Å; K749-A767 VanDerWaalsContact CE-O 3.3Å; K749-A767 WeakPolarHBondContact CE-O 3.47Å; K749-A767 PolarHBondContact NZ-O 3.22Å; K749-V812 PolarHBondContact NZ-O 3.34Å; K749-L814 VanDerWaalsContact CD-O 3.28Å; K749-L814 WeakPolarHBondContact CD-O 3.4Å; K749-L814 WeakPolarHBondContact CE-O 3.39Å; K749-L814 PolarHBondContact NZ-O 3.5Å; K749-H816 HydrophobicContact CB-CB 4.2Å
750	K	80.4	Confident	61.4	Low	85 Å²	85	83.6 Å²	83.6	37%	0.37	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.9	178.8	-60.7	-171.5	176.9	-177.9	0	109.1	M762 L763 T764 H816 G817	K750-M762 HydrophobicContact CB-CE 3.99Å; K750-L763 WeakPolarHBondContact CA-O 3.4Å; K750-T764 HydrophobicContact CD-CG2 4.41Å; K750-T764 WeakPolarHBondContact CE-OG1 3.26Å; K750-T764 HydrophobicContact CG-CG2 4.03Å; K750-H816 PolarHBondContact N-ND1 2.85Å; K750-G817 PolarHBondContact O-N 3.47Å
751	I	83.5	Confident	63.8	Low	0 Å²	0	79.2 Å²	79.2	0%	0	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	149.5	178.3	64.2	169.1	0	0	0	109.9	V753 M762 L763 L765 L774 L814 Q815 D818 V820	I751-V753 HydrophobicContact CD1-CG2 3.84Å; I751-V753 HydrophobicContact CG1-CG2 4.14Å; I751-M762 CarbonylContact O-C 3.24Å; I751-M762 WeakPolarHBondContact O-CA 3.35Å; I751-M762 WeakPolarHBondContact O-CE 3.44Å; I751-L763 HydrophobicContact CD1-CB 4.48Å; I751-L763 HydrophobicContact CG1-CB 3.92Å; I751-L763 PolarHBondContact N-O 3.38Å; I751-L763 PolarHBondContact O-N 2.79Å; I751-L765 HydrophobicContact CD1-CD1 3.53Å; I751-L765 HydrophobicContact CG1-CD1 3.88Å; I751-L774 HydrophobicContact CD1-CD1 3.8Å; I751-L814 HydrophobicContact CD1-CD1 4.09Å; I751-L814 HydrophobicContact CG2-CB 4.42Å; I751-Q815 WeakPolarHBondContact CG2-O 3.46Å; I751-D818 WeakPolarHBondContact CA-O 3.46Å; I751-D818 HydrophobicContact CG2-CB 4.2Å; I751-V820 HydrophobicContact CD1-CG2 4.06Å
752	R	79.3	Confident	66	Low	102 Å²	102	78.2 Å²	78.2	39%	0.385	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	113.3	170.3	-169	175.2	-66.9	-159.1	5.3	109	M762 D818 V820	R752-M762 HydrophobicContact CB-CE 4.43Å; R752-M762 HydrophobicContact CB-SD 3.57Å; R752-M762 VanDerWaalsContact CB-SD 3.57Å; R752-M762 HydrophobicContact CG-SD 3.85Å; R752-D818 PolarHBondContact N-O 2.78Å; R752-V820 PolarHBondContact O-N 3.05Å
753	V	84.8	Confident	68.7	Low	0 Å²	0	74 Å²	74	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	128.5	171.4	-176.8	0	0	0	0	108.9	I751 Q760 A761 L763 I778 F782 V820 L822	I751-V753 HydrophobicContact CD1-CG2 3.84Å; I751-V753 HydrophobicContact CG1-CG2 4.14Å; V753-Q760 CarbonylContact O-C 3.49Å; V753-Q760 VanDerWaalsContact O-CA 3.3Å; V753-Q760 WeakPolarHBondContact O-CA 3.46Å; V753-A761 PolarHBondContact N-O 2.74Å; V753-A761 PolarHBondContact O-N 3.09Å; V753-L763 HydrophobicContact CG2-CD1 3.69Å; V753-L763 HydrophobicContact CG2-CG 3.98Å; V753-I778 HydrophobicContact CG1-CG1 4.46Å; V753-I778 HydrophobicContact CG2-CG1 4.34Å; V753-F782 HydrophobicContact CB-CE2 3.83Å; V753-F782 HydrophobicContact CB-CZ 3.97Å; V753-F782 HydrophobicContact CG1-CE2 3.64Å; V753-F782 HydrophobicContact CG1-CZ 3.97Å; V753-V820 CarbonylContact C-O 3.55Å; V753-V820 VanDerWaalsContact CA-O 3.29Å; V753-V820 WeakPolarHBondContact CA-O 3.1Å; V753-V820 HydrophobicContact CG2-CB 4.32Å; V753-L822 HydrophobicContact CG1-CB 4.08Å
754	T	79.3	Confident	71.4	Confident	49 Å²	49	72.3 Å²	72.3	30%	0.301	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.5	174.9	-55.2	0	0	0	0	108.9	Q760 V820 T821 L822	T754-Q760 HydrophobicContact CG2-CB 4.34Å; T754-V820 PolarHBondContact N-O 3.21Å; T754-T821 CarbonylContact O-C 3.1Å; T754-T821 VanDerWaalsContact O-CA 3.28Å; T754-T821 WeakPolarHBondContact O-CA 2.98Å; T754-L822 PolarHBondContact O-N 2.85Å
755	T	79.9	Confident	73.9	Confident	5 Å²	5	66.9 Å²	66.9	3%	0.031	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	158.9	-179.6	64.1	0	0	0	0	112	D757 G758 R759 F782 L822 I824	T755-D757 PolarHBondContact O-N 2.77Å; T755-D757 PolarHBondContact OG1-OD1 2.74Å; T755-G758 PolarHBondContact O-N 3.41Å; T755-R759 HydrophobicContact CG2-CB 4.48Å; T755-R759 PolarHBondContact N-O 2.81Å; T755-R759 WeakPolarHBondContact OG1-CA 3.34Å; T755-R759 WeakPolarHBondContact OG1-CB 3.47Å; T755-R759 PolarHBondContact OG1-N 2.9Å; T755-R759 PolarHBondContact OG1-O 2.96Å; T755-F782 HydrophobicContact CG2-CB 4.32Å; T755-F782 HydrophobicContact CG2-CD1 3.51Å; T755-F782 HydrophobicContact CG2-CD2 4.3Å; T755-F782 HydrophobicContact CG2-CE1 3.74Å; T755-F782 HydrophobicContact CG2-CE2 4.5Å; T755-F782 HydrophobicContact CG2-CG 3.81Å; T755-F782 HydrophobicContact CG2-CZ 4.21Å; T755-L822 CarbonylContact C-O 3.56Å; T755-L822 VanDerWaalsContact CA-O 3.25Å; T755-L822 WeakPolarHBondContact CA-O 3.18Å; T755-L822 HydrophobicContact CG2-CB 4.21Å; T755-L822 HydrophobicContact CG2-CD2 3.79Å; T755-I824 HydrophobicContact CG2-CD1 4.5Å
756	S	75.3	Confident	75.8	Confident	76 Å²	76	66.4 Å²	66.4	53%	0.531	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-9.3	175.8	58.3	0	0	0	0	114.5	L822 I824	S756-L822 PolarHBondContact N-O 2.83Å; S756-I824 PolarHBondContact OG-N 2.93Å
757	D	70.4	Confident	76.8	Confident	85 Å²	85	61.7 Å²	61.7	46%	0.455	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	6.6	169.8	66.6	22.5	0	0	0	113.5	T755 R759 I824	T755-D757 PolarHBondContact O-N 2.77Å; T755-D757 PolarHBondContact OG1-OD1 2.74Å; D757-R759 VanDerWaalsContact CG-NE 3.34Å; D757-R759 WeakPolarHBondContact OD1-CG 3.42Å; D757-R759 IonicContact OD1-CZ 2.68Å; D757-R759 PolarHBondContact OD1-N 2.85Å; D757-R759 IonicContact OD1-NE 2.62Å; D757-R759 PolarHBondContact OD1-NE 3.18Å; D757-R759 IonicContact OD1-NH2 2.67Å; D757-R759 IonicContact OD2-CZ 2.73Å; D757-R759 VanDerWaalsContact OD2-CZ 3.3Å; D757-R759 IonicContact OD2-NE 3.72Å; D757-R759 PolarHBondContact OD2-NE 2.72Å; D757-R759 VanDerWaalsContact OD2-NE 3.09Å; D757-R759 IonicContact OD2-NH2 3.82Å; D757-R759 PolarHBondContact OD2-NH2 2.92Å; D757-I824 VanDerWaalsContact OD2-CD1 3.24Å; D757-I824 WeakPolarHBondContact OD2-CD1 3.48Å
758	G	63.8	Low	77.8	Confident	58 Å²	58	60.1 Å²	60.1	60%	0.598	33%	0.328	S	S	*	.	S	Bend	trans	92	-8.2	174.1	0	0	0	0	0	115.5	T755	T755-G758 PolarHBondContact O-N 3.41Å
759	R	79.3	Confident	78.3	Confident	111 Å²	111	55.2 Å²	55.2	42%	0.419	31%	0.306	S	S	.	.			trans	-69.4	132.6	175.5	-62.6	178.8	-72.5	155.4	-2.4	110.4	T755 D757 F782	T755-R759 HydrophobicContact CG2-CB 4.48Å; T755-R759 PolarHBondContact N-O 2.81Å; T755-R759 WeakPolarHBondContact OG1-CA 3.34Å; T755-R759 WeakPolarHBondContact OG1-CB 3.47Å; T755-R759 PolarHBondContact OG1-N 2.9Å; T755-R759 PolarHBondContact OG1-O 2.96Å; D757-R759 VanDerWaalsContact CG-NE 3.34Å; D757-R759 WeakPolarHBondContact OD1-CG 3.42Å; D757-R759 IonicContact OD1-CZ 2.68Å; D757-R759 PolarHBondContact OD1-N 2.85Å; D757-R759 IonicContact OD1-NE 2.62Å; D757-R759 PolarHBondContact OD1-NE 3.18Å; D757-R759 IonicContact OD1-NH2 2.67Å; D757-R759 IonicContact OD2-CZ 2.73Å; D757-R759 VanDerWaalsContact OD2-CZ 3.3Å; D757-R759 IonicContact OD2-NE 3.72Å; D757-R759 PolarHBondContact OD2-NE 2.72Å; D757-R759 VanDerWaalsContact OD2-NE 3.09Å; D757-R759 IonicContact OD2-NH2 3.82Å; D757-R759 PolarHBondContact OD2-NH2 2.92Å; R759-F782 HydrophobicContact CB-CD1 4.09Å; R759-F782 HydrophobicContact CB-CE1 4.18Å; R759-F782 PolarHBondContact NH1-O 3.05Å; R759-F782 PolarHBondContact NH2-O 3.22Å
760	Q	83.8	Confident	78.8	Confident	117 Å²	117	55.3 Å²	55.3	55%	0.547	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	145.3	177.8	61.7	174.6	-38.8	0	0	112	V753 T754	V753-Q760 CarbonylContact O-C 3.49Å; V753-Q760 VanDerWaalsContact O-CA 3.3Å; V753-Q760 WeakPolarHBondContact O-CA 3.46Å; T754-Q760 HydrophobicContact CG2-CB 4.34Å
761	A	75.8	Confident	78.9	Confident	20 Å²	20	52.1 Å²	52.1	17%	0.165	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	155	175.3	0	0	0	0	0	112	V753 Q781 F782	V753-A761 PolarHBondContact N-O 2.74Å; V753-A761 PolarHBondContact O-N 3.09Å; A761-Q781 HydrophobicContact CB-CG 3.7Å; A761-F782 HydrophobicContact CB-CE1 3.92Å; A761-F782 HydrophobicContact CB-CE2 4.23Å; A761-F782 HydrophobicContact CB-CZ 3.48Å; A761-F782 VanDerWaalsContact CB-CZ 3.48Å
762	M	84	Confident	78.8	Confident	92 Å²	92	54.6 Å²	54.6	45%	0.453	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	107	170.5	-69.6	-60.2	-52.4	0	0	109.6	K750 I751 R752	K750-M762 HydrophobicContact CB-CE 3.99Å; I751-M762 CarbonylContact O-C 3.24Å; I751-M762 WeakPolarHBondContact O-CA 3.35Å; I751-M762 WeakPolarHBondContact O-CE 3.44Å; R752-M762 HydrophobicContact CB-CE 4.43Å; R752-M762 HydrophobicContact CB-SD 3.57Å; R752-M762 VanDerWaalsContact CB-SD 3.57Å; R752-M762 HydrophobicContact CG-SD 3.85Å
763	L	79.6	Confident	79	Confident	10 Å²	10	53.4 Å²	53.4	5%	0.052	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	124.1	170.3	-69.6	-175	0	0	0	109.7	K750 I751 V753 L765 I778 Q781	K750-L763 WeakPolarHBondContact CA-O 3.4Å; I751-L763 HydrophobicContact CD1-CB 4.48Å; I751-L763 HydrophobicContact CG1-CB 3.92Å; I751-L763 PolarHBondContact N-O 3.38Å; I751-L763 PolarHBondContact O-N 2.79Å; V753-L763 HydrophobicContact CG2-CD1 3.69Å; V753-L763 HydrophobicContact CG2-CG 3.98Å; L763-L765 HydrophobicContact CB-CD1 4.4Å; L763-L765 HydrophobicContact CB-CD2 4.14Å; L763-L765 HydrophobicContact CB-CG 4.04Å; L763-L765 HydrophobicContact CD1-CD2 4.45Å; L763-I778 HydrophobicContact CD1-CG1 3.55Å; L763-Q781 HydrophobicContact CD2-CB 3.7Å; L763-Q781 HydrophobicContact CD2-CG 3.7Å
764	T	84.6	Confident	79	Confident	67 Å²	67	53.5 Å²	53.5	41%	0.411	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.3	166.7	-57.7	0	0	0	0	107.8	E748 K750	E748-T764 HydrophobicContact CB-CG2 3.92Å; E748-T764 HydrophobicContact CG-CG2 4.12Å; E748-T764 WeakPolarHBondContact OE2-CG2 3.37Å; K750-T764 HydrophobicContact CD-CG2 4.41Å; K750-T764 WeakPolarHBondContact CE-OG1 3.26Å; K750-T764 HydrophobicContact CG-CG2 4.03Å
765	L	80	Confident	79.3	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.016	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	143.3	-170.7	-61.6	176.9	0	0	0	109.9	E748 K749 I751 L763 T769 L774	E748-L765 CarbonylContact C-O 3.59Å; E748-L765 VanDerWaalsContact CA-O 3.28Å; E748-L765 WeakPolarHBondContact CA-O 3.47Å; K749-L765 HydrophobicContact CG-CB 4.19Å; K749-L765 PolarHBondContact N-O 2.7Å; K749-L765 PolarHBondContact O-N 3.45Å; I751-L765 HydrophobicContact CD1-CD1 3.53Å; I751-L765 HydrophobicContact CG1-CD1 3.88Å; L763-L765 HydrophobicContact CB-CD1 4.4Å; L763-L765 HydrophobicContact CB-CD2 4.14Å; L763-L765 HydrophobicContact CB-CG 4.04Å; L763-L765 HydrophobicContact CD1-CD2 4.45Å; L765-T769 HydrophobicContact CB-CG2 4.47Å; L765-T769 HydrophobicContact CD1-CG2 4.37Å; L765-T769 HydrophobicContact CD2-CG2 4.42Å; L765-L774 HydrophobicContact CD1-CD1 3.65Å
766	P	77.7	Confident	79.4	Confident	79 Å²	79	61.3 Å²	61.3	51%	0.513	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51	147.6	166.6	-29.1	35.2	0	0	0	113.3	K747 L768 T769	K747-P766 CarbonylContact O-C 3.54Å; K747-P766 WeakPolarHBondContact O-CA 3.28Å; P766-L768 PolarHBondContact O-N 3.37Å; P766-L768 VanDerWaalsContact O-N 3.11Å; P766-T769 VanDerWaalsContact CD-OG1 3.27Å; P766-T769 WeakPolarHBondContact CD-OG1 3.41Å; P766-T769 WeakPolarHBondContact O-CB 3.14Å; P766-T769 PolarHBondContact O-N 2.85Å; P766-T769 VanDerWaalsContact O-N 3.1Å; P766-T769 PolarHBondContact O-OG1 3.09Å
767	A	67.9	Low	79.9	Confident	44 Å²	44	59.5 Å²	59.5	36%	0.364	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-36.5	-178.5	0	0	0	0	0	112.9	K747 K749	K747-A767 PolarHBondContact O-N 3.12Å; K749-A767 VanDerWaalsContact CE-O 3.3Å; K749-A767 WeakPolarHBondContact CE-O 3.47Å; K749-A767 PolarHBondContact NZ-O 3.22Å
768	L	78.9	Confident	80.6	Confident	133 Å²	133	55.5 Å²	55.5	70%	0.696	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	22.8	-178.3	-59.9	176.4	0	0	0	114.3	P766 T770 P811	P766-L768 PolarHBondContact O-N 3.37Å; P766-L768 VanDerWaalsContact O-N 3.11Å; L768-T770 PolarHBondContact O-N 3.13Å; L768-P811 HydrophobicContact CB-CB 4.29Å; L768-P811 HydrophobicContact CD2-CB 4.19Å; L768-P811 HydrophobicContact CD2-CG 4.16Å
769	T	81.8	Confident	81.6	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.018	28%	0.282	C	S	.	.			trans	-55.4	124.5	178.9	-68.7	0	0	0	0	113	L765 P766 E773 L774 V812	L765-T769 HydrophobicContact CB-CG2 4.47Å; L765-T769 HydrophobicContact CD1-CG2 4.37Å; L765-T769 HydrophobicContact CD2-CG2 4.42Å; P766-T769 VanDerWaalsContact CD-OG1 3.27Å; P766-T769 WeakPolarHBondContact CD-OG1 3.41Å; P766-T769 WeakPolarHBondContact O-CB 3.14Å; P766-T769 PolarHBondContact O-N 2.85Å; P766-T769 VanDerWaalsContact O-N 3.1Å; P766-T769 PolarHBondContact O-OG1 3.09Å; T769-E773 HydrophobicContact CG2-CB 3.77Å; T769-L774 HydrophobicContact CG2-CB 4.17Å; T769-V812 PolarHBondContact O-N 3.38Å
770	T	83.9	Confident	81.8	Confident	22 Å²	22	57.3 Å²	57.3	14%	0.135	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-77.9	166.3	176.3	61.5	0	0	0	0	112.7	L768 A772 E773 L774	L768-T770 PolarHBondContact O-N 3.13Å; T770-A772 VanDerWaalsContact C-N 3.31Å; T770-A772 PolarHBondContact O-N 3.26Å; T770-E773 PolarHBondContact N-OE2 3.47Å; T770-E773 PolarHBondContact O-N 3.21Å; T770-E773 VanDerWaalsContact OG1-CD 3.26Å; T770-E773 VanDerWaalsContact OG1-CG 3.25Å; T770-E773 WeakPolarHBondContact OG1-CG 3.48Å; T770-E773 PolarHBondContact OG1-N 3.07Å; T770-E773 PolarHBondContact OG1-OE2 3.17Å; T770-L774 PolarHBondContact O-N 3.39Å
771	F	83.9	Confident	81.9	Confident	19 Å²	19	56.5 Å²	56.5	8%	0.083	30%	0.297	C	S	.	.	H	α-helix	trans	-61.5	-37.3	-179.2	-175	-105.8	0	0	0	113.2	L774 R775 I791 L800 P802 P803 V812	F771-L774 PolarHBondContact O-N 2.96Å; F771-R775 HydrophobicContact CE1-CG 4.35Å; F771-R775 HydrophobicContact CZ-CG 4.37Å; F771-R775 PolarHBondContact O-N 2.87Å; F771-R775 VanDerWaalsContact O-N 3.09Å; F771-I791 HydrophobicContact CE2-CD1 4.4Å; F771-L800 HydrophobicContact CD2-CD2 3.73Å; F771-L800 HydrophobicContact CD2-CG 3.94Å; F771-L800 HydrophobicContact CE2-CB 4.4Å; F771-L800 HydrophobicContact CE2-CD2 3.7Å; F771-L800 HydrophobicContact CE2-CG 3.71Å; F771-L800 VanDerWaalsContact CE2-O 3.23Å; F771-L800 WeakPolarHBondContact CE2-O 3.49Å; F771-L800 WeakPolarHBondContact CZ-O 3.25Å; F771-P802 HydrophobicContact CD1-CB 4.06Å; F771-P802 VanDerWaalsContact CE1-CA 3.4Å; F771-P802 HydrophobicContact CE1-CB 3.6Å; F771-P802 HydrophobicContact CZ-CB 4.31Å; F771-P803 HydrophobicContact CB-CG 4.2Å; F771-V812 VanDerWaalsContact CA-CG2 3.5Å; F771-V812 HydrophobicContact CB-CG2 4.07Å; F771-V812 HydrophobicContact CD2-CG2 4.47Å
772	A	81.6	Confident	82.3	Confident	52 Å²	52	56 Å²	56	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-67.2	-39	176.6	0	0	0	0	0	112.3	T770 R776	T770-A772 VanDerWaalsContact C-N 3.31Å; T770-A772 PolarHBondContact O-N 3.26Å; A772-R776 WeakPolarHBondContact O-CB 3.24Å; A772-R776 PolarHBondContact O-N 3.42Å
773	E	81.8	Confident	82.2	Confident	77 Å²	77	58.5 Å²	58.5	36%	0.36	31%	0.307	S	S	.	.	H	α-helix	trans	-71.7	-34.7	176.6	-69.8	169.6	135.4	0	0	112.9	T769 T770 R776 S777	T769-E773 HydrophobicContact CG2-CB 3.77Å; T770-E773 PolarHBondContact N-OE2 3.47Å; T770-E773 PolarHBondContact O-N 3.21Å; T770-E773 VanDerWaalsContact OG1-CD 3.26Å; T770-E773 VanDerWaalsContact OG1-CG 3.25Å; T770-E773 WeakPolarHBondContact OG1-CG 3.48Å; T770-E773 PolarHBondContact OG1-N 3.07Å; T770-E773 PolarHBondContact OG1-OE2 3.17Å; E773-R776 PolarHBondContact O-N 3.35Å; E773-S777 WeakPolarHBondContact O-CB 3.29Å; E773-S777 PolarHBondContact O-N 3.46Å; E773-S777 PolarHBondContact O-OG 3.46Å
774	L	85.6	Confident	82.2	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-60.9	-52.4	171.7	176.7	62.7	0	0	0	110.5	I751 L765 T769 T770 F771 R776 S777 I778 I791 L800 V812 L814	I751-L774 HydrophobicContact CD1-CD1 3.8Å; L765-L774 HydrophobicContact CD1-CD1 3.65Å; T769-L774 HydrophobicContact CG2-CB 4.17Å; T770-L774 PolarHBondContact O-N 3.39Å; F771-L774 PolarHBondContact O-N 2.96Å; L774-R776 VanDerWaalsContact C-N 3.3Å; L774-R776 PolarHBondContact O-N 2.84Å; L774-S777 PolarHBondContact O-N 2.7Å; L774-I778 HydrophobicContact CD1-CD1 3.9Å; L774-I778 HydrophobicContact CD1-CG1 4.33Å; L774-I778 HydrophobicContact CG-CD1 3.92Å; L774-I778 WeakPolarHBondContact O-CG1 3.41Å; L774-I778 PolarHBondContact O-N 3.37Å; L774-I791 HydrophobicContact CD2-CD1 4.18Å; L774-I791 HydrophobicContact CG-CD1 4.26Å; L774-L800 HydrophobicContact CD2-CD2 3.66Å; L774-V812 HydrophobicContact CB-CG2 4.36Å; L774-V812 HydrophobicContact CD2-CB 4.5Å; L774-V812 HydrophobicContact CD2-CG1 4.12Å; L774-V812 HydrophobicContact CD2-CG2 4.09Å; L774-L814 HydrophobicContact CD1-CD1 4.39Å; L774-L814 HydrophobicContact CD2-CD1 3.73Å
775	R	85.4	Confident	81.9	Confident	65 Å²	65	58 Å²	58	25%	0.245	31%	0.305	C	S	.	.	H	α-helix	trans	-60.6	-37.3	177.4	-73.6	174.3	77.6	-174.7	15.8	112.8	F771 A779 P786 Q789 I791	F771-R775 HydrophobicContact CE1-CG 4.35Å; F771-R775 HydrophobicContact CZ-CG 4.37Å; F771-R775 PolarHBondContact O-N 2.87Å; F771-R775 VanDerWaalsContact O-N 3.09Å; R775-A779 VanDerWaalsContact O-CB 3.3Å; R775-A779 WeakPolarHBondContact O-CB 3.41Å; R775-A779 PolarHBondContact O-N 2.83Å; R775-P786 PolarHBondContact NH2-O 2.83Å; R775-Q789 VanDerWaalsContact CB-OE1 3.27Å; R775-Q789 PolarHBondContact O-NE2 3.46Å; R775-Q789 PolarHBondContact O-OE1 3.28Å; R775-I791 HydrophobicContact CG-CD1 3.62Å
776	R	83.1	Confident	81.8	Confident	154 Å²	154	60.5 Å²	60.5	58%	0.581	32%	0.321	S	S	*	.	H	α-helix	trans	-68	-39.3	175.7	-164.3	-176.5	-59.2	117.3	1.4	112.3	A772 E773 L774 A779 K780	A772-R776 WeakPolarHBondContact O-CB 3.24Å; A772-R776 PolarHBondContact O-N 3.42Å; E773-R776 PolarHBondContact O-N 3.35Å; L774-R776 VanDerWaalsContact C-N 3.3Å; L774-R776 PolarHBondContact O-N 2.84Å; R776-A779 PolarHBondContact O-N 2.92Å; R776-K780 WeakPolarHBondContact O-CB 3.47Å; R776-K780 PolarHBondContact O-N 3.3Å
777	S	84.1	Confident	81.6	Confident	38 Å²	38	61.6 Å²	61.6	27%	0.266	33%	0.329	S	S	.	.	H	α-helix	trans	-67.4	-40.9	175.5	-59.5	0	0	0	0	112.1	E773 L774 Q781	E773-S777 WeakPolarHBondContact O-CB 3.29Å; E773-S777 PolarHBondContact O-N 3.46Å; E773-S777 PolarHBondContact O-OG 3.46Å; L774-S777 PolarHBondContact O-N 2.7Å; S777-Q781 WeakPolarHBondContact O-CB 3.42Å; S777-Q781 PolarHBondContact O-N 2.62Å
778	I	86.7	Confident	82.2	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.3	-45.8	172.7	-67.1	168.9	0	0	0	110.3	V753 L763 L774 K780 Q781 F782 I791 L822	V753-I778 HydrophobicContact CG1-CG1 4.46Å; V753-I778 HydrophobicContact CG2-CG1 4.34Å; L763-I778 HydrophobicContact CD1-CG1 3.55Å; L774-I778 HydrophobicContact CD1-CD1 3.9Å; L774-I778 HydrophobicContact CD1-CG1 4.33Å; L774-I778 HydrophobicContact CG-CD1 3.92Å; L774-I778 WeakPolarHBondContact O-CG1 3.41Å; L774-I778 PolarHBondContact O-N 3.37Å; I778-K780 VanDerWaalsContact C-N 3.33Å; I778-K780 PolarHBondContact O-N 3.3Å; I778-Q781 PolarHBondContact O-N 2.91Å; I778-Q781 VanDerWaalsContact O-N 3.09Å; I778-F782 HydrophobicContact CG2-CD2 4.07Å; I778-F782 WeakPolarHBondContact O-CD2 3.36Å; I778-F782 PolarHBondContact O-N 3.15Å; I778-I791 HydrophobicContact CD1-CD1 3.58Å; I778-I791 HydrophobicContact CD1-CG1 4.09Å; I778-L822 HydrophobicContact CD1-CD1 4.45Å; I778-L822 HydrophobicContact CG2-CD1 3.73Å; I778-L822 HydrophobicContact CG2-CD2 3.43Å; I778-L822 VanDerWaalsContact CG2-CD2 3.43Å; I778-L822 HydrophobicContact CG2-CG 4.13Å
779	A	84.6	Confident	82.3	Confident	20 Å²	20	56.9 Å²	56.9	17%	0.165	30%	0.295	C	S	.	.	H	α-helix	trans	-56.4	-48	178	0	0	0	0	0	111.3	R775 R776 Q781 D783 V784 P786	R775-A779 VanDerWaalsContact O-CB 3.3Å; R775-A779 WeakPolarHBondContact O-CB 3.41Å; R775-A779 PolarHBondContact O-N 2.83Å; R776-A779 PolarHBondContact O-N 2.92Å; A779-Q781 VanDerWaalsContact C-N 3.26Å; A779-Q781 PolarHBondContact O-N 3.01Å; A779-D783 VanDerWaalsContact O-CA 3.27Å; A779-D783 WeakPolarHBondContact O-CA 3.32Å; A779-D783 PolarHBondContact O-N 2.83Å; A779-V784 WeakPolarHBondContact CA-O 3.43Å; A779-V784 WeakPolarHBondContact CB-O 3.46Å; A779-P786 HydrophobicContact CB-CG 4.39Å
780	K	83.8	Confident	82.4	Confident	188 Å²	188	57 Å²	57	82%	0.817	30%	0.296	S	S	*	.	H	α-helix	trans	-65.3	-23.1	178.7	-174.4	178.1	176.5	-173.9	0	114.1	R776 I778	R776-K780 WeakPolarHBondContact O-CB 3.47Å; R776-K780 PolarHBondContact O-N 3.3Å; I778-K780 VanDerWaalsContact C-N 3.33Å; I778-K780 PolarHBondContact O-N 3.3Å
781	Q	86.3	Confident	82.4	Confident	100 Å²	100	56.1 Å²	56.1	47%	0.467	29%	0.291	S	S	.	.	H	α-helix	trans	-97.3	-21.9	-174.4	-172.3	59.6	68.3	0	0	113.9	A761 L763 S777 I778 A779	A761-Q781 HydrophobicContact CB-CG 3.7Å; L763-Q781 HydrophobicContact CD2-CB 3.7Å; L763-Q781 HydrophobicContact CD2-CG 3.7Å; S777-Q781 WeakPolarHBondContact O-CB 3.42Å; S777-Q781 PolarHBondContact O-N 2.62Å; I778-Q781 PolarHBondContact O-N 2.91Å; I778-Q781 VanDerWaalsContact O-N 3.09Å; A779-Q781 VanDerWaalsContact C-N 3.26Å; A779-Q781 PolarHBondContact O-N 3.01Å
782	F	83.3	Confident	82.2	Confident	9 Å²	9	58.3 Å²	58.3	4%	0.039	30%	0.298	C	S	.	.	H	α-helix	trans	-130.3	0.3	-174.6	-60.5	-81.9	0	0	0	114.3	V753 T755 R759 A761 I778 V784	V753-F782 HydrophobicContact CB-CE2 3.83Å; V753-F782 HydrophobicContact CB-CZ 3.97Å; V753-F782 HydrophobicContact CG1-CE2 3.64Å; V753-F782 HydrophobicContact CG1-CZ 3.97Å; T755-F782 HydrophobicContact CG2-CB 4.32Å; T755-F782 HydrophobicContact CG2-CD1 3.51Å; T755-F782 HydrophobicContact CG2-CD2 4.3Å; T755-F782 HydrophobicContact CG2-CE1 3.74Å; T755-F782 HydrophobicContact CG2-CE2 4.5Å; T755-F782 HydrophobicContact CG2-CG 3.81Å; T755-F782 HydrophobicContact CG2-CZ 4.21Å; R759-F782 HydrophobicContact CB-CD1 4.09Å; R759-F782 HydrophobicContact CB-CE1 4.18Å; R759-F782 PolarHBondContact NH1-O 3.05Å; R759-F782 PolarHBondContact NH2-O 3.22Å; A761-F782 HydrophobicContact CB-CE1 3.92Å; A761-F782 HydrophobicContact CB-CE2 4.23Å; A761-F782 HydrophobicContact CB-CZ 3.48Å; A761-F782 VanDerWaalsContact CB-CZ 3.48Å; I778-F782 HydrophobicContact CG2-CD2 4.07Å; I778-F782 WeakPolarHBondContact O-CD2 3.36Å; I778-F782 PolarHBondContact O-N 3.15Å; F782-V784 HydrophobicContact CB-CG2 4.07Å; F782-V784 PolarHBondContact O-N 2.59Å
783	D	82	Confident	81.9	Confident	145 Å²	145	58.8 Å²	58.8	78%	0.775	29%	0.29	S	S	*	.			trans	53.7	31.8	-174.6	-66.5	-43	0	0	0	114.6	A779	A779-D783 VanDerWaalsContact O-CA 3.27Å; A779-D783 WeakPolarHBondContact O-CA 3.32Å; A779-D783 PolarHBondContact O-N 2.83Å
784	V	79.6	Confident	80.6	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.03	30%	0.298	C	S	.	.			trans	-95.6	114.9	174.2	-176.3	0	0	0	0	109.6	A779 F782 Q788 Q789 L822 I824	A779-V784 WeakPolarHBondContact CA-O 3.43Å; A779-V784 WeakPolarHBondContact CB-O 3.46Å; F782-V784 HydrophobicContact CB-CG2 4.07Å; F782-V784 PolarHBondContact O-N 2.59Å; V784-Q788 HydrophobicContact CG1-CB 3.95Å; V784-Q789 HydrophobicContact CB-CG 4.29Å; V784-Q789 HydrophobicContact CG1-CG 3.74Å; V784-Q789 PolarHBondContact O-NE2 2.93Å; V784-L822 HydrophobicContact CB-CD2 4.32Å; V784-L822 HydrophobicContact CG1-CD2 4.49Å; V784-L822 HydrophobicContact CG2-CD2 4.13Å; V784-I824 HydrophobicContact CG1-CG1 4.28Å; V784-I824 HydrophobicContact CG1-CG2 4.02Å; V784-I824 HydrophobicContact CG2-CD1 3.69Å; V784-I824 HydrophobicContact CG2-CG1 4Å
785	P	78.3	Confident	78.4	Confident	61 Å²	61	67 Å²	67	40%	0.396	34%	0.339	S	S	.	.			trans	-58.2	140.9	177.8	-24.6	34.4	0	0	0	111.9	P787 Q788	P785-P787 VanDerWaalsContact C-CD 3.42Å; P785-P787 HydrophobicContact CB-CG 4.36Å; P785-P787 VanDerWaalsContact O-N 3.14Å; P785-Q788 WeakPolarHBondContact O-CA 3.3Å; P785-Q788 WeakPolarHBondContact O-CB 3.34Å; P785-Q788 PolarHBondContact O-N 2.81Å
786	P	77.8	Confident	76.3	Confident	55 Å²	55	68.3 Å²	68.3	36%	0.357	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-46.1	-42.9	-180	-31.1	36.5	0	0	0	117.1	R775 A779 Q788 Q789	R775-P786 PolarHBondContact NH2-O 2.83Å; A779-P786 HydrophobicContact CB-CG 4.39Å; P786-Q788 PolarHBondContact O-N 2.89Å; P786-Q789 WeakPolarHBondContact O-CB 3.44Å; P786-Q789 PolarHBondContact O-N 3.4Å; P786-Q789 VanDerWaalsContact O-N 3.1Å
787	P	72.9	Confident	74.9	Confident	103 Å²	103	64.4 Å²	64.4	67%	0.669	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-65.3	-16.4	177.2	26.2	-35.8	0	0	0	114.3	P785	P785-P787 VanDerWaalsContact C-CD 3.42Å; P785-P787 HydrophobicContact CB-CG 4.36Å; P785-P787 VanDerWaalsContact O-N 3.14Å
788	Q	80	Confident	74.1	Confident	66 Å²	66	69.4 Å²	69.4	31%	0.308	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-95	9.4	176.2	-60.5	-173	-11.1	0	0	112.7	V784 P785 P786 I824 L825	V784-Q788 HydrophobicContact CG1-CB 3.95Å; P785-Q788 WeakPolarHBondContact O-CA 3.3Å; P785-Q788 WeakPolarHBondContact O-CB 3.34Å; P785-Q788 PolarHBondContact O-N 2.81Å; P786-Q788 PolarHBondContact O-N 2.89Å; Q788-I824 CarbonylContact O-C 3.58Å; Q788-I824 WeakPolarHBondContact O-CA 3.24Å; Q788-L825 WeakPolarHBondContact CA-O 3.15Å; Q788-L825 WeakPolarHBondContact CB-O 3.33Å; Q788-L825 VanDerWaalsContact CG-O 3.26Å; Q788-L825 WeakPolarHBondContact CG-O 3.14Å; Q788-L825 PolarHBondContact O-N 2.74Å
789	Q	82	Confident	73.7	Confident	11 Å²	11	73.8 Å²	73.8	5%	0.051	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	110.2	-178.1	-63.5	-177.9	8.7	0	0	112.3	R775 V784 P786 L822	R775-Q789 VanDerWaalsContact CB-OE1 3.27Å; R775-Q789 PolarHBondContact O-NE2 3.46Å; R775-Q789 PolarHBondContact O-OE1 3.28Å; V784-Q789 HydrophobicContact CB-CG 4.29Å; V784-Q789 HydrophobicContact CG1-CG 3.74Å; V784-Q789 PolarHBondContact O-NE2 2.93Å; P786-Q789 WeakPolarHBondContact O-CB 3.44Å; P786-Q789 PolarHBondContact O-N 3.4Å; P786-Q789 VanDerWaalsContact O-N 3.1Å; Q789-L822 HydrophobicContact CB-CD1 3.72Å; Q789-L822 HydrophobicContact CG-CD1 3.9Å
790	C	84.4	Confident	73.5	Confident	6 Å²	6	73.9 Å²	73.9	4%	0.041	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.4	159.4	168.9	0	0	0	0	108.9	R792 E799 L822 E823 L825	C790-R792 PolarHBondContact SG-NH2 2.85Å; C790-E799 VanDerWaalsContact SG-CD 3.54Å; C790-L822 CarbonylContact O-C 3.56Å; C790-L822 WeakPolarHBondContact O-CA 3.36Å; C790-E823 HydrophobicContact CB-CB 3.93Å; C790-E823 HydrophobicContact CB-CG 4.39Å; C790-E823 WeakPolarHBondContact CB-O 3.24Å; C790-E823 PolarHBondContact N-O 2.71Å; C790-E823 PolarHBondContact O-N 3.04Å; C790-E823 PolarHBondContact SG-OE2 3Å; C790-L825 HydrophobicContact CB-CD1 4.04Å; C790-L825 HydrophobicContact CB-CD2 4.15Å; C790-L825 HydrophobicContact CB-CG 3.98Å
791	I	83.5	Confident	73	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.021	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.7	-175.4	-61.8	172.9	0	0	0	108.9	F771 L774 R775 I778 L800 V820 L822	F771-I791 HydrophobicContact CE2-CD1 4.4Å; L774-I791 HydrophobicContact CD2-CD1 4.18Å; L774-I791 HydrophobicContact CG-CD1 4.26Å; R775-I791 HydrophobicContact CG-CD1 3.62Å; I778-I791 HydrophobicContact CD1-CD1 3.58Å; I778-I791 HydrophobicContact CD1-CG1 4.09Å; I791-L800 HydrophobicContact CB-CB 4.28Å; I791-L800 HydrophobicContact CG2-CB 4.08Å; I791-L800 HydrophobicContact CG2-CD2 3.93Å; I791-L800 PolarHBondContact O-N 3.22Å; I791-V820 HydrophobicContact CG2-CG1 3.49Å; I791-V820 VanDerWaalsContact CG2-CG1 3.49Å; I791-L822 HydrophobicContact CG1-CD1 3.8Å
792	R	80.3	Confident	72.3	Confident	64 Å²	64	69.7 Å²	69.7	24%	0.242	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.7	178.5	-55.1	-174.6	-178.4	-68.3	-12.2	111.5	C790 P797 K798 E799 V820 T821 E823	C790-R792 PolarHBondContact SG-NH2 2.85Å; R792-P797 HydrophobicContact CB-CB 4.28Å; R792-K798 CarbonylContact C-O 3.55Å; R792-K798 WeakPolarHBondContact CA-O 3.42Å; R792-E799 IonicContact CZ-OE2 3.21Å; R792-E799 IonicContact NH1-OE2 2.65Å; R792-E799 PolarHBondContact NH1-OE2 3.13Å; R792-E799 IonicContact NH2-OE2 2.65Å; R792-E799 PolarHBondContact NH2-OE2 2.86Å; R792-V820 CarbonylContact O-C 3.46Å; R792-V820 WeakPolarHBondContact O-CA 3.44Å; R792-T821 PolarHBondContact N-O 2.73Å; R792-T821 PolarHBondContact O-N 2.71Å; R792-E823 IonicContact CZ-OE2 2.66Å; R792-E823 IonicContact NE-OE2 2.8Å; R792-E823 PolarHBondContact NE-OE2 2.95Å; R792-E823 IonicContact NH2-OE2 3.56Å; R792-E823 PolarHBondContact NH2-OE2 3.37Å
793	Y	75.1	Confident	71.8	Confident	63 Å²	63	71.2 Å²	71.2	25%	0.247	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	161.6	-177.9	76.7	-63.3	0	0	0	113.4	K798 L800 L814	Y793-K798 PolarHBondContact N-O 3.28Å; Y793-K798 PolarHBondContact O-N 3.47Å; Y793-L800 HydrophobicContact CD1-CB 3.88Å; Y793-L800 HydrophobicContact CD1-CD1 4.23Å; Y793-L800 HydrophobicContact CE1-CB 3.9Å; Y793-L800 HydrophobicContact CE1-CD1 3.57Å; Y793-L800 HydrophobicContact CE1-CG 4.32Å; Y793-L814 HydrophobicContact CD2-CD2 3.53Å; Y793-L814 HydrophobicContact CD2-CG 4.49Å; Y793-L814 HydrophobicContact CE2-CD2 4.32Å; Y793-L814 HydrophobicContact CG-CD2 3.88Å
794	G	53.4	Low	71.4	Confident	52 Å²	52	73.3 Å²	73.3	54%	0.536	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	-172.2	-178.5	0	0	0	0	0	114.4	P797	G794-P797 WeakPolarHBondContact O-CA 3.33Å
795	F	39.5	Very low	70.3	Confident	199 Å²	199	80.6 Å²	80.6	87%	0.873	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.5	130.2	174.7	-168.9	-95.1	0	0	0	111
796	P	41.3	Very low	69.6	Low	91 Å²	91	81.1 Å²	81.1	59%	0.591	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	cis	-58.6	148.6	-12.3	27.7	-35.6	0	0	0	111.1	K798	P796-K798 PolarHBondContact O-N 3.38Å; P796-K798 VanDerWaalsContact O-N 3.13Å
797	P	53.7	Low	68.9	Low	73 Å²	73	82.3 Å²	82.3	47%	0.474	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	114.6	-170.3	-24.7	35.4	0	0	0	113.1	R792 G794	R792-P797 HydrophobicContact CB-CB 4.28Å; G794-P797 WeakPolarHBondContact O-CA 3.33Å
798	K	67	Low	68.7	Low	143 Å²	143	82.9 Å²	82.9	62%	0.622	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	142.1	178.2	-65.2	-178.9	-177	177.4	0	110.3	R792 Y793 P796 L800	R792-K798 CarbonylContact C-O 3.55Å; R792-K798 WeakPolarHBondContact CA-O 3.42Å; Y793-K798 PolarHBondContact N-O 3.28Å; Y793-K798 PolarHBondContact O-N 3.47Å; P796-K798 PolarHBondContact O-N 3.38Å; P796-K798 VanDerWaalsContact O-N 3.13Å; K798-L800 PolarHBondContact O-N 2.99Å
799	E	79.4	Confident	68.3	Low	92 Å²	92	86.8 Å²	86.8	43%	0.43	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	128.6	173	-152	163.5	137.5	0	0	110.7	C790 R792 L801	C790-E799 VanDerWaalsContact SG-CD 3.54Å; R792-E799 IonicContact CZ-OE2 3.21Å; R792-E799 IonicContact NH1-OE2 2.65Å; R792-E799 PolarHBondContact NH1-OE2 3.13Å; R792-E799 IonicContact NH2-OE2 2.65Å; R792-E799 PolarHBondContact NH2-OE2 2.86Å; E799-L801 HydrophobicContact CB-CD2 4.45Å; E799-L801 HydrophobicContact CG-CD2 4.28Å; E799-L801 PolarHBondContact O-N 2.87Å
800	L	78.9	Confident	67.8	Low	22 Å²	22	92.6 Å²	92.6	12%	0.115	49%	0.487	C	S	.	.			trans	-85.4	88.4	170.2	-175	73	0	0	0	107.7	F771 L774 I791 Y793 K798 V812	F771-L800 HydrophobicContact CD2-CD2 3.73Å; F771-L800 HydrophobicContact CD2-CG 3.94Å; F771-L800 HydrophobicContact CE2-CB 4.4Å; F771-L800 HydrophobicContact CE2-CD2 3.7Å; F771-L800 HydrophobicContact CE2-CG 3.71Å; F771-L800 VanDerWaalsContact CE2-O 3.23Å; F771-L800 WeakPolarHBondContact CE2-O 3.49Å; F771-L800 WeakPolarHBondContact CZ-O 3.25Å; L774-L800 HydrophobicContact CD2-CD2 3.66Å; I791-L800 HydrophobicContact CB-CB 4.28Å; I791-L800 HydrophobicContact CG2-CB 4.08Å; I791-L800 HydrophobicContact CG2-CD2 3.93Å; I791-L800 PolarHBondContact O-N 3.22Å; Y793-L800 HydrophobicContact CD1-CB 3.88Å; Y793-L800 HydrophobicContact CD1-CD1 4.23Å; Y793-L800 HydrophobicContact CE1-CB 3.9Å; Y793-L800 HydrophobicContact CE1-CD1 3.57Å; Y793-L800 HydrophobicContact CE1-CG 4.32Å; K798-L800 PolarHBondContact O-N 2.99Å; L800-V812 HydrophobicContact CD1-CG1 3.85Å; L800-V812 HydrophobicContact CD2-CG1 3.48Å; L800-V812 VanDerWaalsContact CD2-CG1 3.48Å; L800-V812 HydrophobicContact CG-CG1 4.3Å
801	L	74.1	Confident	67.4	Low	117 Å²	117	95.3 Å²	95.3	61%	0.613	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-64.6	154.1	175.4	-61.8	176.4	0	0	0	111.1	E799	E799-L801 HydrophobicContact CB-CD2 4.45Å; E799-L801 HydrophobicContact CG-CD2 4.28Å; E799-L801 PolarHBondContact O-N 2.87Å
802	P	71.4	Confident	67	Low	83 Å²	83	95.7 Å²	95.7	54%	0.539	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-57.7	143.6	167.5	23.8	-32.9	0	0	0	111.6	F771	F771-P802 HydrophobicContact CD1-CB 4.06Å; F771-P802 VanDerWaalsContact CE1-CA 3.4Å; F771-P802 HydrophobicContact CE1-CB 3.6Å; F771-P802 HydrophobicContact CZ-CB 4.31Å
803	P	73.1	Confident	66.6	Low	41 Å²	41	96.1 Å²	96.1	27%	0.266	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-62.1	158.6	171.8	28	-35	0	0	0	111	F771 E807	F771-P803 HydrophobicContact CB-CG 4.2Å; P803-E807 HydrophobicContact CB-CB 3.9Å
804	R	73.6	Confident	66.5	Low	188 Å²	188	93.5 Å²	93.5	71%	0.709	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-77.7	159.2	-179.7	-57.9	168.8	170.9	179.4	-2.8	110.5	G806 E807	R804-G806 PolarHBondContact O-N 3.36Å; R804-E807 VanDerWaalsContact CB-OE2 3.26Å; R804-E807 WeakPolarHBondContact CB-OE2 3.41Å; R804-E807 WeakPolarHBondContact CG-OE2 3.37Å; R804-E807 PolarHBondContact N-OE2 3.46Å; R804-E807 WeakPolarHBondContact O-CB 3.47Å; R804-E807 PolarHBondContact O-N 2.93Å
805	N	57.5	Low	67.6	Low	159 Å²	159	98 Å²	98	85%	0.85	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	114.6	177.3	-60.7	23.7	0	0	0	110.1
806	G	63.1	Low	69.2	Low	72 Å²	72	94.1 Å²	94.1	74%	0.742	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.7	-25.4	-173.2	0	0	0	0	0	115.2	R804	R804-G806 PolarHBondContact O-N 3.36Å
807	E	62.7	Low	70.3	Confident	80 Å²	80	92.3 Å²	92.3	37%	0.374	50%	0.504	S	S	.	.			trans	-93	3	177.7	-62.1	163.9	-179.2	0	0	112.1	P803 R804 N809 E810	P803-E807 HydrophobicContact CB-CB 3.9Å; R804-E807 VanDerWaalsContact CB-OE2 3.26Å; R804-E807 WeakPolarHBondContact CB-OE2 3.41Å; R804-E807 WeakPolarHBondContact CG-OE2 3.37Å; R804-E807 PolarHBondContact N-OE2 3.46Å; R804-E807 WeakPolarHBondContact O-CB 3.47Å; R804-E807 PolarHBondContact O-N 2.93Å; E807-N809 PolarHBondContact O-N 2.79Å; E807-N809 VanDerWaalsContact O-N 3.09Å; E807-E810 WeakPolarHBondContact O-CB 3.37Å; E807-E810 PolarHBondContact O-N 2.73Å
808	E	69.2	Low	71.3	Confident	115 Å²	115	91.1 Å²	91.1	54%	0.537	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.1	-168.4	-66.3	171.9	-136.5	0	0	115.3
809	N	70.7	Confident	71.5	Confident	147 Å²	147	93.4 Å²	93.4	79%	0.786	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-0.8	178.3	-65.2	-61.6	0	0	0	113.4	E807	E807-N809 PolarHBondContact O-N 2.79Å; E807-N809 VanDerWaalsContact O-N 3.09Å
810	E	71.5	Confident	71.5	Confident	133 Å²	133	89.1 Å²	89.1	62%	0.621	48%	0.478	S	S	*	.	S	Bend	trans	-73.7	141.2	179.1	-65.1	-153.6	152.7	0	0	112.1	E807	E807-E810 WeakPolarHBondContact O-CB 3.37Å; E807-E810 PolarHBondContact O-N 2.73Å
811	P	75.6	Confident	71.6	Confident	63 Å²	63	91 Å²	91	41%	0.409	49%	0.49	S	S	.	.	B	Isolated β-bridge	trans	-73.3	137.5	-179.4	31.4	-35.7	0	0	0	110.6	L768 A813	L768-P811 HydrophobicContact CB-CB 4.29Å; L768-P811 HydrophobicContact CD2-CB 4.19Å; L768-P811 HydrophobicContact CD2-CG 4.16Å; P811-A813 PolarHBondContact O-N 2.83Å
812	V	75.3	Confident	72	Confident	13 Å²	13	85.4 Å²	85.4	8%	0.079	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-61.6	131.3	177.5	-174.1	0	0	0	0	110	K749 T769 F771 L774 L800 L814	K749-V812 PolarHBondContact NZ-O 3.34Å; T769-V812 PolarHBondContact O-N 3.38Å; F771-V812 VanDerWaalsContact CA-CG2 3.5Å; F771-V812 HydrophobicContact CB-CG2 4.07Å; F771-V812 HydrophobicContact CD2-CG2 4.47Å; L774-V812 HydrophobicContact CB-CG2 4.36Å; L774-V812 HydrophobicContact CD2-CB 4.5Å; L774-V812 HydrophobicContact CD2-CG1 4.12Å; L774-V812 HydrophobicContact CD2-CG2 4.09Å; L800-V812 HydrophobicContact CD1-CG1 3.85Å; L800-V812 HydrophobicContact CD2-CG1 3.48Å; L800-V812 VanDerWaalsContact CD2-CG1 3.48Å; L800-V812 HydrophobicContact CG-CG1 4.3Å; V812-L814 HydrophobicContact CG1-CB 4.36Å; V812-L814 HydrophobicContact CG1-CD1 3.75Å; V812-L814 HydrophobicContact CG1-CG 3.75Å; V812-L814 PolarHBondContact O-N 2.72Å
813	A	72.9	Confident	72.6	Confident	73 Å²	73	84.9 Å²	84.9	60%	0.603	45%	0.452	S	S	*	.	S	Bend	trans	-68.5	44.3	176.9	0	0	0	0	0	114.4	P811	P811-A813 PolarHBondContact O-N 2.83Å
814	L	72.3	Confident	73.2	Confident	7 Å²	7	84.7 Å²	84.7	4%	0.037	45%	0.448	C	S	.	.			trans	-103.4	138.4	169.8	-70.5	167.8	0	0	0	110	K749 I751 L774 Y793 V812 D818 V820	K749-L814 VanDerWaalsContact CD-O 3.28Å; K749-L814 WeakPolarHBondContact CD-O 3.4Å; K749-L814 WeakPolarHBondContact CE-O 3.39Å; K749-L814 PolarHBondContact NZ-O 3.5Å; I751-L814 HydrophobicContact CD1-CD1 4.09Å; I751-L814 HydrophobicContact CG2-CB 4.42Å; L774-L814 HydrophobicContact CD1-CD1 4.39Å; L774-L814 HydrophobicContact CD2-CD1 3.73Å; Y793-L814 HydrophobicContact CD2-CD2 3.53Å; Y793-L814 HydrophobicContact CD2-CG 4.49Å; Y793-L814 HydrophobicContact CE2-CD2 4.32Å; Y793-L814 HydrophobicContact CG-CD2 3.88Å; V812-L814 HydrophobicContact CG1-CB 4.36Å; V812-L814 HydrophobicContact CG1-CD1 3.75Å; V812-L814 HydrophobicContact CG1-CG 3.75Å; V812-L814 PolarHBondContact O-N 2.72Å; L814-D818 VanDerWaalsContact CA-OD2 3.27Å; L814-D818 WeakPolarHBondContact CA-OD2 3.41Å; L814-D818 HydrophobicContact CD2-CB 4.03Å; L814-D818 WeakPolarHBondContact CD2-OD2 3.23Å; L814-V820 HydrophobicContact CD1-CG2 3.9Å; L814-V820 HydrophobicContact CD2-CG2 3.51Å; L814-V820 HydrophobicContact CG-CG2 4.36Å
815	Q	76.4	Confident	73.4	Confident	146 Å²	146	79.7 Å²	79.7	68%	0.682	44%	0.435	S	S	*	.			trans	-104.2	173.4	179	-55.6	-166.5	16.3	0	0	112	I751 G817 D818	I751-Q815 WeakPolarHBondContact CG2-O 3.46Å; Q815-G817 PolarHBondContact O-N 3.03Å; Q815-D818 PolarHBondContact N-OD2 3.14Å; Q815-D818 PolarHBondContact O-N 3.17Å
816	H	73.4	Confident	74.1	Confident	119 Å²	119	83.5 Å²	83.5	55%	0.551	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	124.1	175.8	-169.1	126	0	0	0	109.7	K749 K750	K749-H816 HydrophobicContact CB-CB 4.2Å; K750-H816 PolarHBondContact N-ND1 2.85Å
817	G	64.3	Low	73.3	Confident	52 Å²	52	82.7 Å²	82.7	54%	0.536	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.8	-9.4	-176.6	0	0	0	0	0	114.5	K750 Q815 R819	K750-G817 PolarHBondContact O-N 3.47Å; Q815-G817 PolarHBondContact O-N 3.03Å; G817-R819 PolarHBondContact O-N 2.73Å
818	D	74	Confident	72.2	Confident	48 Å²	48	85.6 Å²	85.6	26%	0.257	45%	0.452	S	S	.	.			trans	-59.2	137.6	-177.8	-78.6	-0.7	0	0	0	112.5	I751 R752 L814 Q815	I751-D818 WeakPolarHBondContact CA-O 3.46Å; I751-D818 HydrophobicContact CG2-CB 4.2Å; R752-D818 PolarHBondContact N-O 2.78Å; L814-D818 VanDerWaalsContact CA-OD2 3.27Å; L814-D818 WeakPolarHBondContact CA-OD2 3.41Å; L814-D818 HydrophobicContact CD2-CB 4.03Å; L814-D818 WeakPolarHBondContact CD2-OD2 3.23Å; Q815-D818 PolarHBondContact N-OD2 3.14Å; Q815-D818 PolarHBondContact O-N 3.17Å
819	R	73	Confident	70.5	Confident	191 Å²	191	89.3 Å²	89.3	72%	0.721	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.9	168.1	-67.3	-174	179.4	-166.8	0.8	109.1	G817	G817-R819 PolarHBondContact O-N 2.73Å
820	V	78.4	Confident	68.6	Low	2 Å²	2	89.6 Å²	89.6	1%	0.012	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.8	-179.3	177.6	0	0	0	0	108.2	I751 R752 V753 T754 I791 R792 L814	I751-V820 HydrophobicContact CD1-CG2 4.06Å; R752-V820 PolarHBondContact O-N 3.05Å; V753-V820 CarbonylContact C-O 3.55Å; V753-V820 VanDerWaalsContact CA-O 3.29Å; V753-V820 WeakPolarHBondContact CA-O 3.1Å; V753-V820 HydrophobicContact CG2-CB 4.32Å; T754-V820 PolarHBondContact N-O 3.21Å; I791-V820 HydrophobicContact CG2-CG1 3.49Å; I791-V820 VanDerWaalsContact CG2-CG1 3.49Å; R792-V820 CarbonylContact O-C 3.46Å; R792-V820 WeakPolarHBondContact O-CA 3.44Å; L814-V820 HydrophobicContact CD1-CG2 3.9Å; L814-V820 HydrophobicContact CD2-CG2 3.51Å; L814-V820 HydrophobicContact CG-CG2 4.36Å
821	T	81.2	Confident	66.5	Low	61 Å²	61	94.9 Å²	94.9	37%	0.374	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131	176.6	-50.6	0	0	0	0	109.3	T754 R792	T754-T821 CarbonylContact O-C 3.1Å; T754-T821 VanDerWaalsContact O-CA 3.28Å; T754-T821 WeakPolarHBondContact O-CA 2.98Å; R792-T821 PolarHBondContact N-O 2.73Å; R792-T821 PolarHBondContact O-N 2.71Å
822	L	83	Confident	64.3	Low	0 Å²	0	95.2 Å²	95.2	0%	0	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	107.2	174.1	-178.3	79.2	0	0	0	109.9	V753 T754 T755 S756 I778 V784 Q789 C790 I791 I824	V753-L822 HydrophobicContact CG1-CB 4.08Å; T754-L822 PolarHBondContact O-N 2.85Å; T755-L822 CarbonylContact C-O 3.56Å; T755-L822 VanDerWaalsContact CA-O 3.25Å; T755-L822 WeakPolarHBondContact CA-O 3.18Å; T755-L822 HydrophobicContact CG2-CB 4.21Å; T755-L822 HydrophobicContact CG2-CD2 3.79Å; S756-L822 PolarHBondContact N-O 2.83Å; I778-L822 HydrophobicContact CD1-CD1 4.45Å; I778-L822 HydrophobicContact CG2-CD1 3.73Å; I778-L822 HydrophobicContact CG2-CD2 3.43Å; I778-L822 VanDerWaalsContact CG2-CD2 3.43Å; I778-L822 HydrophobicContact CG2-CG 4.13Å; V784-L822 HydrophobicContact CB-CD2 4.32Å; V784-L822 HydrophobicContact CG1-CD2 4.49Å; V784-L822 HydrophobicContact CG2-CD2 4.13Å; Q789-L822 HydrophobicContact CB-CD1 3.72Å; Q789-L822 HydrophobicContact CG-CD1 3.9Å; C790-L822 CarbonylContact O-C 3.56Å; C790-L822 WeakPolarHBondContact O-CA 3.36Å; I791-L822 HydrophobicContact CG1-CD1 3.8Å; L822-I824 HydrophobicContact CD2-CG1 4.27Å
823	E	83.4	Confident	62.2	Low	73 Å²	73	101.1 Å²	101.1	34%	0.341	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	117.8	173	178.2	172.5	-148.3	0	0	109.5	C790 R792 L825	C790-E823 HydrophobicContact CB-CB 3.93Å; C790-E823 HydrophobicContact CB-CG 4.39Å; C790-E823 WeakPolarHBondContact CB-O 3.24Å; C790-E823 PolarHBondContact N-O 2.71Å; C790-E823 PolarHBondContact O-N 3.04Å; C790-E823 PolarHBondContact SG-OE2 3Å; R792-E823 IonicContact CZ-OE2 2.66Å; R792-E823 IonicContact NE-OE2 2.8Å; R792-E823 PolarHBondContact NE-OE2 2.95Å; R792-E823 IonicContact NH2-OE2 3.56Å; R792-E823 PolarHBondContact NH2-OE2 3.37Å; E823-L825 HydrophobicContact CG-CD2 4.37Å; E823-L825 PolarHBondContact O-N 3.32Å
824	I	85.4	Confident	59.9	Low	37 Å²	37	101.1 Å²	101.1	19%	0.19	55%	0.546	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	102.3	-174.5	-57.6	174.6	0	0	0	109.5	T755 S756 D757 V784 Q788 L822 R826	T755-I824 HydrophobicContact CG2-CD1 4.5Å; S756-I824 PolarHBondContact OG-N 2.93Å; D757-I824 VanDerWaalsContact OD2-CD1 3.24Å; D757-I824 WeakPolarHBondContact OD2-CD1 3.48Å; V784-I824 HydrophobicContact CG1-CG1 4.28Å; V784-I824 HydrophobicContact CG1-CG2 4.02Å; V784-I824 HydrophobicContact CG2-CD1 3.69Å; V784-I824 HydrophobicContact CG2-CG1 4Å; Q788-I824 CarbonylContact O-C 3.58Å; Q788-I824 WeakPolarHBondContact O-CA 3.24Å; L822-I824 HydrophobicContact CD2-CG1 4.27Å; I824-R826 PolarHBondContact O-N 3.35Å
825	L	78.4	Confident	57.8	Low	83 Å²	83	105.1 Å²	105.1	44%	0.435	58%	0.58	S	S	.	*			trans	-76.1	113.8	179.2	-56.8	179.7	0	0	0	110	Q788 C790 E823 G827	Q788-L825 WeakPolarHBondContact CA-O 3.15Å; Q788-L825 WeakPolarHBondContact CB-O 3.33Å; Q788-L825 VanDerWaalsContact CG-O 3.26Å; Q788-L825 WeakPolarHBondContact CG-O 3.14Å; Q788-L825 PolarHBondContact O-N 2.74Å; C790-L825 HydrophobicContact CB-CD1 4.04Å; C790-L825 HydrophobicContact CB-CD2 4.15Å; C790-L825 HydrophobicContact CB-CG 3.98Å; E823-L825 HydrophobicContact CG-CD2 4.37Å; E823-L825 PolarHBondContact O-N 3.32Å; L825-G827 PolarHBondContact O-N 3.09Å
826	R	71.1	Confident	55.8	Low	239 Å²	239	103.6 Å²	103.6	90%	0.902	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-67.3	121.7	173.7	-65	-175.6	-178.9	-174.8	0.4	109.5	I824	I824-R826 PolarHBondContact O-N 3.35Å
827	G	46.9	Very low	53.5	Low	55 Å²	55	105 Å²	105	57%	0.567	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-66.9	130.9	178.7	0	0	0	0	0	111.9	L825	L825-G827 PolarHBondContact O-N 3.09Å
828	T	40.4	Very low	51.7	Low	140 Å²	140	109.6 Å²	109.6	86%	0.859	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-86.2	117.6	168	48.4	0	0	0	0	109.8
829	E	31.9	Very low	49.4	Very low	193 Å²	193	118.9 Å²	118.9	90%	0.902	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-77.4	131.2	164.6	-68.8	-173.2	141.1	0	0	110.5
830	D	31.3	Very low	47.1	Very low	153 Å²	153	114 Å²	114	82%	0.818	64%	0.642	S	S	*	*			trans	25.1	108.9	168.8	-66.1	-33.6	0	0	0	123.4
831	R	28.5	Very low	44.4	Very low	244 Å²	244	119.6 Å²	119.6	92%	0.921	68%	0.677	S	S	*	*				-16.1	134.5	129.9	-62.1	167	167.7	-170.9	-5	113.9
832	G	28	Very low	42	Very low	70 Å²	70	121.9 Å²	121.9	72%	0.722	70%	0.696	S	S	*	*				108.5	-164.2	71.7	0	0	0	0	0	109.6
833	P	32.3	Very low	39.2	Very low	138 Å²	138	127.4 Å²	127.4	90%	0.896	73%	0.734	S	S	*	*			cis	-103.5	-178.5	-17.6	41.2	-30.6	0	0	0	111.1
834	G	24.9	Very low	36.5	Very low	72 Å²	72	129 Å²	129	74%	0.742	74%	0.742	S	S	*	*			cis	176.7	177.7	-2	0	0	0	0	0	113.3
835	A	26.6	Very low	33.6	Very low	92 Å²	92	131.5 Å²	131.5	76%	0.76	76%	0.762	S	S	*	*			trans	-19.9	161	167.3	0	0	0	0	0	120.2
836	P	35.7	Very low	31.1	Very low	114 Å²	114	130.5 Å²	130.5	74%	0.74	77%	0.766	S	S	*	*			cis	-140	143.1	25.3	38.6	-18.7	0	0	0	119.8
837	I	25.8	Very low	29.1	Very low	148 Å²	148	120.6 Å²	120.6	76%	0.759	73%	0.731	S	S	*	*				35.5	109	125.3	-47.9	169.6	0	0	0	117.7
838	T	26.2	Very low	28.3	Very low	148 Å²	148	118.7 Å²	118.7	91%	0.908	71%	0.707	S	S	*	*				-149.2	155.1	116.9	-4	0	0	0	0	110.2
839	R	24.7	Very low	27.6	Very low	243 Å²	243	113.8 Å²	113.8	92%	0.917	68%	0.679	S	S	*	*			trans	-146.2	99.2	-163.5	-176.8	-172.5	-171.6	-179.1	4.1	110.8
840	A	24.7	Very low	27.4	Very low	88 Å²	88	108.4 Å²	108.4	73%	0.727	67%	0.667	S	S	*	*			trans	-149.1	140.9	173.1	0	0	0	0	0	111.8
841	T	22.8	Very low	27.2	Very low	121 Å²	121	110.3 Å²	110.3	74%	0.742	67%	0.668	S	S	*	*			trans	39.5	100.2	145.8	56.3	0	0	0	0	120.7
842	S	29.8	Very low	27	Very low	109 Å²	109	103.1 Å²	103.1	76%	0.762	66%	0.655	S	S	*	*				61.1	-173.8	125.3	66.6	0	0	0	0	120.7
843	S	23.8	Very low	26.8	Very low	116 Å²	116	107.2 Å²	107.2	81%	0.811	66%	0.661	S	S	*	*			trans	82.1	136.1	168.2	-50.5	0	0	0	0	117.8
844	H	27	Very low	26.3	Very low	107 Å²	107	108.4 Å²	108.4	50%	0.495	66%	0.659	S	S	.	*			trans	-86.6	147.1	170.8	-62.4	-62.4	0	0	0	112.1	H897	H844-H897 AromaticContact CD2-ND1 4Å; H844-H897 AromaticContact CE1-CE1 3.8Å; H844-H897 AromaticContact CE1-CG 3.74Å; H844-H897 AromaticContact CE1-ND1 3.05Å; H844-H897 PolarHBondContact CE1-ND1 3Å; H844-H897 AromaticContact ND1-CG 3.95Å; H844-H897 AromaticContact ND1-ND1 3.68Å; H844-H897 AromaticContact NE2-ND1 3.23Å; H844-H897 PolarHBondContact NE2-ND1 3.43Å
845	S	25	Very low	26.2	Very low	88 Å²	88	109.1 Å²	109.1	62%	0.615	66%	0.659	S	S	*	*			trans	152.7	130.7	142.6	-65.3	0	0	0	0	107.1	Q900	S845-Q900 PolarHBondContact OG-NE2 2.86Å
846	A	26.3	Very low	26.2	Very low	63 Å²	63	110.9 Å²	110.9	52%	0.521	66%	0.659	S	S	.	*			cis	98.8	170.4	31.6	0	0	0	0	0	113.4	Q900	A846-Q900 HydrophobicContact CB-CB 3.56Å; A846-Q900 HydrophobicContact CB-CG 4.26Å
847	L	28.4	Very low	25.9	Very low	30 Å²	30	112 Å²	112	16%	0.157	66%	0.664	C	S	.	*				-168.8	-158.7	58.3	-85.1	-179.1	0	0	0	113.4	Q900 Q901 E937 E938 R939	L847-Q900 HydrophobicContact CD2-CB 3.7Å; L847-Q900 HydrophobicContact CD2-CG 3.8Å; L847-Q901 VanDerWaalsContact O-CB 3.23Å; L847-Q901 WeakPolarHBondContact O-CB 3.32Å; L847-Q901 PolarHBondContact O-NE2 2.87Å; L847-E937 WeakPolarHBondContact CD1-O 3.41Å; L847-E938 HydrophobicContact CB-CB 3.52Å; L847-E938 WeakPolarHBondContact CB-O 3.33Å; L847-E938 VanDerWaalsContact CD2-O 3.32Å; L847-E938 WeakPolarHBondContact CD2-O 3.18Å; L847-R939 HydrophobicContact CD1-CB 4.07Å; L847-R939 HydrophobicContact CD1-CG 4.43Å; L847-R939 HydrophobicContact CD2-CB 3.75Å
848	H	31.1	Very low	25.8	Very low	15 Å²	15	108.7 Å²	108.7	7%	0.069	67%	0.667	C	S	.	*			trans	-41.4	-142.1	-179.5	-53.5	-32.7	0	0	0	120	Q901 Y906 Y933 N934 E938 R939	H848-Q901 PolarHBondContact O-NE2 2.89Å; H848-Y906 WeakPolarHBondContact CA-OH 3.35Å; H848-Y906 AromaticContact CE1-CD2 3.75Å; H848-Y906 AromaticContact CE1-CE2 3.13Å; H848-Y906 WeakPolarHBondContact CE1-CE2 3.31Å; H848-Y906 AromaticContact CE1-CZ 3.82Å; H848-Y906 AromaticContact ND1-CD2 3.93Å; H848-Y906 AromaticContact ND1-CE2 2.87Å; H848-Y906 WeakPolarHBondContact ND1-CE2 3.45Å; H848-Y906 AromaticContact ND1-CZ 3.18Å; H848-Y906 PolarHBondContact ND1-OH 3.44Å; H848-Y933 AromaticContact CD2-CD2 3.7Å; H848-Y933 AromaticContact CD2-CE2 2.96Å; H848-Y933 WeakPolarHBondContact CD2-CE2 3.28Å; H848-Y933 AromaticContact CD2-CZ 3.12Å; H848-Y933 PolarHBondContact CD2-OH 2.93Å; H848-Y933 AromaticContact CE1-CD2 3.65Å; H848-Y933 AromaticContact CE1-CE2 3.27Å; H848-Y933 WeakPolarHBondContact CE1-CE2 3.43Å; H848-Y933 AromaticContact CG-CE2 3.53Å; H848-Y933 AromaticContact CG-CZ 3.74Å; H848-Y933 AromaticContact ND1-CE2 3.61Å; H848-Y933 AromaticContact NE2-CD2 3.12Å; H848-Y933 WeakPolarHBondContact NE2-CD2 3.26Å; H848-Y933 AromaticContact NE2-CE2 2.85Å; H848-Y933 WeakPolarHBondContact NE2-CE2 3.28Å; H848-Y933 AromaticContact NE2-CZ 3.55Å; H848-N934 PolarHBondContact CD2-O 2.86Å; H848-N934 VanDerWaalsContact CD2-O 3.23Å; H848-E938 VanDerWaalsContact C-CD 3.44Å; H848-E938 WeakPolarHBondContact CA-OE2 3.15Å; H848-E938 HydrophobicContact CB-CB 3.6Å; H848-E938 HydrophobicContact CB-CG 3.93Å; H848-E938 WeakPolarHBondContact CB-O 3.31Å; H848-E938 WeakPolarHBondContact CD2-CA 3.28Å; H848-E938 PolarHBondContact CD2-O 3.36Å; H848-E938 PolarHBondContact CE1-O 3.48Å; H848-E938 VanDerWaalsContact CE1-O 3.26Å; H848-E938 PolarHBondContact N-O 2.95Å; H848-E938 PolarHBondContact N-OE2 2.92Å; H848-E938 PolarHBondContact ND1-O 3.02Å; H848-E938 VanDerWaalsContact ND1-O 3.1Å; H848-E938 PolarHBondContact NE2-O 2.71Å; H848-R939 PolarHBondContact CD2-N 3.03Å; H848-R939 VanDerWaalsContact CD2-N 3.3Å; H848-R939 WeakPolarHBondContact NE2-CA 3.41Å; H848-R939 PolarHBondContact NE2-N 2.79Å; H848-R939 VanDerWaalsContact NE2-N 3.11Å; H848-R939 PolarHBondContact NE2-O 2.58Å
849	S	25.7	Very low	26	Very low	38 Å²	38	105.2 Å²	105.2	27%	0.266	66%	0.66	S	S	.	*			cis	-149.5	169	-12.8	-157	0	0	0	0	114	Y933 A935 E938	S849-Y933 PolarHBondContact OG-OH 2.81Å; S849-A935 WeakPolarHBondContact CB-O 3.45Å; S849-A935 PolarHBondContact OG-O 2.82Å; S849-E938 WeakPolarHBondContact CB-OE1 3.23Å; S849-E938 PolarHBondContact N-OE1 2.79Å
850	A	26.9	Very low	27	Very low	80 Å²	80	105.8 Å²	105.8	66%	0.661	66%	0.662	S	S	*	*			trans	62.6	150.1	160.6	0	0	0	0	0	119.5
851	K	26.6	Very low	27.4	Very low	192 Å²	192	107.4 Å²	107.4	84%	0.835	66%	0.663	S	S	*	*			cis	-159.5	151.3	-13.7	-119.5	174.3	-175.9	174.4	0	111.1
852	S	24.1	Very low	28.7	Very low	93 Å²	93	103.2 Å²	103.2	65%	0.65	64%	0.639	S	S	*	*			trans	53.2	128	147.4	58.9	0	0	0	0	123.6
853	D	23.6	Very low	29.6	Very low	157 Å²	157	101 Å²	101	84%	0.84	62%	0.623	S	S	*	*			trans	94.3	135.4	134.9	-58.6	0.9	0	0	0	123
854	D	23.4	Very low	30.8	Very low	162 Å²	162	100.4 Å²	100.4	87%	0.866	60%	0.603	S	S	*	*			trans	-46.2	152.9	-176.9	-67.4	-45.6	0	0	0	116
855	A	22.7	Very low	31.9	Very low	88 Å²	88	99.8 Å²	99.8	73%	0.727	60%	0.601	S	S	*	*				-174.8	156.3	59.7	0	0	0	0	0	115.7
856	V	26.1	Very low	33.4	Very low	128 Å²	128	100 Å²	100	78%	0.776	59%	0.594	S	S	*	*			trans	58.9	95.5	144	178.3	0	0	0	0	119.6
857	T	28.6	Very low	34.7	Very low	138 Å²	138	97 Å²	97	85%	0.847	57%	0.569	S	S	*	*			trans	57	115.4	143.4	62	0	0	0	0	122.1
858	G	24.6	Very low	35.8	Very low	79 Å²	79	98 Å²	98	81%	0.814	57%	0.573	S	S	*	*			trans	168.9	122	151.5	0	0	0	0	0	114.5
859	G	29.5	Very low	36.9	Very low	74 Å²	74	98.6 Å²	98.6	76%	0.763	58%	0.579	S	S	*	*			trans	71.4	100.9	175.7	0	0	0	0	0	114.3
860	R	45.7	Very low	38.6	Very low	255 Å²	255	97 Å²	97	96%	0.962	57%	0.568	S	S	*	*			cis	76.9	19.1	28.2	-117.8	-175.6	-172	-165.6	2.1	116.8
861	T	34.7	Very low	40.1	Very low	122 Å²	122	96 Å²	96	75%	0.748	55%	0.551	S	S	*	*			trans	-119.3	109.4	147.1	43.8	0	0	0	0	108.6
862	S	48.6	Very low	41.5	Very low	34 Å²	34	91.6 Å²	91.6	24%	0.238	54%	0.536	C	S	.	.			trans	48.6	87.4	132.5	-166.9	0	0	0	0	115.5	R864 E865	S862-R864 PolarHBondContact O-N 2.8Å; S862-R864 WeakPolarHBondContact OG-CA 3.42Å; S862-R864 WeakPolarHBondContact OG-CB 3.48Å; S862-R864 PolarHBondContact OG-N 2.81Å; S862-E865 VanDerWaalsContact CB-OE1 3.25Å; S862-E865 WeakPolarHBondContact CB-OE1 3.23Å; S862-E865 PolarHBondContact O-N 3.19Å; S862-E865 PolarHBondContact OG-N 3.1Å; S862-E865 PolarHBondContact OG-OE1 2.78Å
863	S	49.9	Very low	43.2	Very low	61 Å²	61	91.3 Å²	91.3	43%	0.427	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	cis	39.3	2.5	40.4	-143.1	0	0	0	0	115.9	E1089	S863-E1089 WeakPolarHBondContact CA-OE1 3.16Å; S863-E1089 WeakPolarHBondContact CA-OE2 3.43Å; S863-E1089 PolarHBondContact N-OE2 2.99Å; S863-E1089 WeakPolarHBondContact O-CA 3.3Å; S863-E1089 VanDerWaalsContact O-CB 3.3Å; S863-E1089 WeakPolarHBondContact O-CB 3.48Å
864	R	48	Very low	45.5	Very low	104 Å²	104	84.3 Å²	84.3	39%	0.392	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.6	-3.9	-179.5	-120.1	169.4	171	-98.2	-5.4	112.6	S862 E1089 M1090 V1091 S1092 S1093 Q1095	S862-R864 PolarHBondContact O-N 2.8Å; S862-R864 WeakPolarHBondContact OG-CA 3.42Å; S862-R864 WeakPolarHBondContact OG-CB 3.48Å; S862-R864 PolarHBondContact OG-N 2.81Å; R864-E1089 CarbonylContact C-O 3.51Å; R864-E1089 VanDerWaalsContact CA-CA 3.45Å; R864-E1089 VanDerWaalsContact CA-O 3.27Å; R864-E1089 WeakPolarHBondContact CA-O 3.4Å; R864-E1089 CarbonylContact O-C 3.46Å; R864-M1090 CarbonylContact O-C 3.56Å; R864-M1090 VanDerWaalsContact O-CA 3.3Å; R864-M1090 WeakPolarHBondContact O-CA 3.25Å; R864-V1091 HydrophobicContact CG-CB 4.39Å; R864-S1092 WeakPolarHBondContact CB-OG 3.4Å; R864-S1092 WeakPolarHBondContact CD-OG 3.42Å; R864-S1092 WeakPolarHBondContact CG-OG 3.25Å; R864-S1092 PolarHBondContact NH1-OG 3.49Å; R864-S1092 CarbonylContact O-C 3.57Å; R864-S1092 VanDerWaalsContact O-C 3.26Å; R864-S1092 WeakPolarHBondContact O-CA 3.22Å; R864-S1092 WeakPolarHBondContact O-CB 3.4Å; R864-S1092 PolarHBondContact O-N 3.13Å; R864-S1093 PolarHBondContact O-N 2.85Å; R864-S1093 VanDerWaalsContact O-N 3.09Å; R864-Q1095 VanDerWaalsContact CZ-OE1 3.23Å
865	E	50.8	Low	46.8	Very low	95 Å²	95	80.1 Å²	80.1	44%	0.444	47%	0.47	S	S	.	.	S	Bend	trans	-114.9	1.1	169.2	-81.6	122.8	-96.2	0	0	121.3	S862 E1089 M1090	S862-E865 VanDerWaalsContact CB-OE1 3.25Å; S862-E865 WeakPolarHBondContact CB-OE1 3.23Å; S862-E865 PolarHBondContact O-N 3.19Å; S862-E865 PolarHBondContact OG-N 3.1Å; S862-E865 PolarHBondContact OG-OE1 2.78Å; E865-E1089 CarbonylContact C-O 3.53Å; E865-E1089 WeakPolarHBondContact CA-O 3.5Å; E865-E1089 PolarHBondContact N-O 2.71Å; E865-M1090 VanDerWaalsContact C-CG 3.44Å; E865-M1090 VanDerWaalsContact O-CG 3.22Å; E865-M1090 WeakPolarHBondContact O-CG 3.3Å
866	I	55.6	Low	48.1	Very low	91 Å²	91	78.5 Å²	78.5	47%	0.467	45%	0.453	S	S	.	.	S	Bend	trans	-128.6	18.6	172.3	-16.5	-179.5	0	0	0	119.8	K1086 E1089 M1090	I866-K1086 WeakPolarHBondContact O-CD 3.46Å; I866-K1086 VanDerWaalsContact O-CG 3.25Å; I866-K1086 WeakPolarHBondContact O-CG 3.43Å; I866-E1089 CarbonylContact C-O 3.53Å; I866-E1089 HydrophobicContact CB-CG 4.42Å; I866-E1089 VanDerWaalsContact N-CG 3.28Å; I866-E1089 PolarHBondContact N-O 3.23Å; I866-M1090 VanDerWaalsContact C-CG 3.48Å; I866-M1090 VanDerWaalsContact CA-CG 3.46Å; I866-M1090 HydrophobicContact CG2-CE 4.26Å
867	Q	53.3	Low	49.8	Very low	0 Å²	0	73.2 Å²	73.2	0%	0	42%	0.421	C	S	.	.	S	Bend	trans	-102.6	-64	174.3	-77.6	-127.6	90	0	0	119.2	S869 I870 Q1083 R1084 R1085 K1086 L1087 E1089 M1090	Q867-S869 VanDerWaalsContact C-N 3.32Å; Q867-S869 PolarHBondContact O-N 3.13Å; Q867-I870 WeakPolarHBondContact O-CA 3.13Å; Q867-I870 VanDerWaalsContact O-CB 3.27Å; Q867-I870 WeakPolarHBondContact O-CB 3.48Å; Q867-I870 PolarHBondContact O-N 3.08Å; Q867-Q1083 PolarHBondContact NE2-O 2.96Å; Q867-Q1083 PolarHBondContact OE1-O 2.91Å; Q867-R1084 PolarHBondContact NE2-O 3.49Å; Q867-R1084 VanDerWaalsContact OE1-C 3.26Å; Q867-R1085 VanDerWaalsContact CG-CA 3.47Å; Q867-K1086 VanDerWaalsContact CB-CA 3.4Å; Q867-K1086 HydrophobicContact CB-CB 4.41Å; Q867-K1086 VanDerWaalsContact CG-C 3.45Å; Q867-K1086 HydrophobicContact CG-CB 4.4Å; Q867-K1086 PolarHBondContact OE1-O 3.48Å; Q867-L1087 CarbonylContact C-O 3.44Å; Q867-L1087 WeakPolarHBondContact CB-O 3.41Å; Q867-L1087 VanDerWaalsContact CD-N 3.3Å; Q867-L1087 PolarHBondContact O-N 2.93Å; Q867-L1087 VanDerWaalsContact OE1-CB 3.22Å; Q867-E1089 HydrophobicContact CB-CB 3.37Å; Q867-E1089 HydrophobicContact CB-CG 4.29Å; Q867-E1089 HydrophobicContact CG-CB 3.1Å; Q867-E1089 HydrophobicContact CG-CG 4.16Å; Q867-E1089 PolarHBondContact N-O 3.03Å; Q867-M1090 PolarHBondContact N-SD 2.93Å; Q867-M1090 VanDerWaalsContact N-SD 3.37Å
868	E	52	Low	50.9	Low	51 Å²	51	68.3 Å²	68.3	24%	0.238	39%	0.392	C	S	.	.	H	α-helix	trans	-65.2	-10.4	-159.5	-162.3	-170.2	-121.7	0	0	116.3	I870 D871 L872 L1087 M1090 V1091 I1094	E868-I870 VanDerWaalsContact C-N 3.3Å; E868-D871 HydrophobicContact CG-CB 4.21Å; E868-D871 WeakPolarHBondContact O-CB 3.19Å; E868-D871 PolarHBondContact O-N 2.66Å; E868-L872 WeakPolarHBondContact O-CB 3.35Å; E868-L872 PolarHBondContact O-N 3.25Å; E868-L1087 WeakPolarHBondContact CA-O 3.49Å; E868-L1087 WeakPolarHBondContact CB-O 3.36Å; E868-L1087 PolarHBondContact N-O 3.41Å; E868-M1090 HydrophobicContact CB-CB 3.6Å; E868-M1090 VanDerWaalsContact N-CA 3.33Å; E868-V1091 HydrophobicContact CB-CG2 4.29Å; E868-V1091 VanDerWaalsContact CB-N 3.32Å; E868-V1091 HydrophobicContact CG-CG2 4.13Å; E868-V1091 WeakPolarHBondContact OE1-CG2 3.28Å; E868-V1091 WeakPolarHBondContact OE2-CA 3.13Å; E868-I1094 HydrophobicContact CB-CD1 4.41Å; E868-I1094 HydrophobicContact CG-CD1 4.39Å; E868-I1094 VanDerWaalsContact OE2-CB 3.3Å; E868-I1094 WeakPolarHBondContact OE2-CB 3.38Å; E868-I1094 WeakPolarHBondContact OE2-CD1 3.11Å
869	S	54.7	Low	51.9	Low	28 Å²	28	69.9 Å²	69.9	20%	0.196	38%	0.381	C	S	.	.	H	α-helix	trans	-75.5	-21.7	162.2	93	0	0	0	0	111.6	Q867 L872 E873 M1090	Q867-S869 VanDerWaalsContact C-N 3.32Å; Q867-S869 PolarHBondContact O-N 3.13Å; S869-L872 PolarHBondContact O-N 2.61Å; S869-E873 VanDerWaalsContact CB-OE1 3.23Å; S869-E873 WeakPolarHBondContact CB-OE1 3.34Å; S869-E873 WeakPolarHBondContact O-CA 3.12Å; S869-E873 WeakPolarHBondContact O-CB 3.3Å; S869-E873 VanDerWaalsContact O-CD 3.24Å; S869-E873 WeakPolarHBondContact O-CG 3.17Å; S869-E873 PolarHBondContact O-N 3.22Å; S869-E873 PolarHBondContact OG-OE1 3.48Å; S869-M1090 PolarHBondContact N-SD 3Å; S869-M1090 WeakPolarHBondContact OG-CE 3.48Å; S869-M1090 PolarHBondContact OG-SD 2.86Å
870	I	60.9	Low	52.7	Low	6 Å²	6	70.3 Å²	70.3	3%	0.031	37%	0.365	C	S	.	.	H	α-helix	trans	-68.8	-36.6	163.7	-59	-157.9	0	0	0	110.4	Q867 E868 M874 V904 N907 I908 K1086 L1087	Q867-I870 WeakPolarHBondContact O-CA 3.13Å; Q867-I870 VanDerWaalsContact O-CB 3.27Å; Q867-I870 WeakPolarHBondContact O-CB 3.48Å; Q867-I870 PolarHBondContact O-N 3.08Å; E868-I870 VanDerWaalsContact C-N 3.3Å; I870-M874 WeakPolarHBondContact O-CB 3.23Å; I870-M874 PolarHBondContact O-N 3.35Å; I870-V904 HydrophobicContact CG2-CG2 3.88Å; I870-N907 HydrophobicContact CD1-CB 3.76Å; I870-I908 HydrophobicContact CG2-CD1 4.07Å; I870-I908 HydrophobicContact CG2-CG1 4.01Å; I870-K1086 HydrophobicContact CB-CB 4.49Å; I870-K1086 HydrophobicContact CD1-CB 3.48Å; I870-K1086 VanDerWaalsContact CD1-CB 3.48Å; I870-K1086 HydrophobicContact CD1-CD 3.86Å; I870-K1086 HydrophobicContact CD1-CG 4.27Å; I870-K1086 HydrophobicContact CG1-CB 4.08Å; I870-L1087 HydrophobicContact CG2-CD1 3.8Å
871	D	59.7	Low	52.9	Low	57 Å²	57	58.2 Å²	58.2	31%	0.305	32%	0.32	S	S	.	.	H	α-helix	trans	-63.4	-45.6	169	-91.4	-51.3	0	0	0	111.4	E868 S875 L1087	E868-D871 HydrophobicContact CG-CB 4.21Å; E868-D871 WeakPolarHBondContact O-CB 3.19Å; E868-D871 PolarHBondContact O-N 2.66Å; D871-S875 WeakPolarHBondContact O-CB 3.31Å; D871-S875 PolarHBondContact O-N 2.84Å; D871-S875 PolarHBondContact O-OG 2.96Å; D871-L1087 WeakPolarHBondContact OD1-CG 3.39Å; D871-L1087 WeakPolarHBondContact OD2-CA 3.45Å
872	L	55	Low	53.4	Low	100 Å²	100	57.4 Å²	57.4	52%	0.524	32%	0.315	S	S	.	.	H	α-helix	trans	-70.9	-45.6	-176.2	-169.7	66.6	0	0	0	112.9	E868 S869 S876 I1094	E868-L872 WeakPolarHBondContact O-CB 3.35Å; E868-L872 PolarHBondContact O-N 3.25Å; S869-L872 PolarHBondContact O-N 2.61Å; L872-S876 WeakPolarHBondContact O-CB 3.43Å; L872-S876 PolarHBondContact O-N 2.84Å; L872-S876 PolarHBondContact O-OG 2.84Å; L872-I1094 HydrophobicContact CD2-CD1 4.16Å
873	E	59.8	Low	53.3	Low	88 Å²	88	61.4 Å²	61.4	41%	0.411	33%	0.333	S	S	.	.	H	α-helix	trans	-66.6	-42.9	176	-68.5	159.6	-135.1	0	0	110.5	S869 S876 L877	S869-E873 VanDerWaalsContact CB-OE1 3.23Å; S869-E873 WeakPolarHBondContact CB-OE1 3.34Å; S869-E873 WeakPolarHBondContact O-CA 3.12Å; S869-E873 WeakPolarHBondContact O-CB 3.3Å; S869-E873 VanDerWaalsContact O-CD 3.24Å; S869-E873 WeakPolarHBondContact O-CG 3.17Å; S869-E873 PolarHBondContact O-N 3.22Å; S869-E873 PolarHBondContact OG-OE1 3.48Å; E873-S876 PolarHBondContact O-N 2.88Å; E873-L877 VanDerWaalsContact O-CB 3.25Å; E873-L877 WeakPolarHBondContact O-CB 3.28Å; E873-L877 PolarHBondContact O-N 2.82Å
874	M	72.6	Confident	53.2	Low	9 Å²	9	64.3 Å²	64.3	4%	0.044	34%	0.341	C	S	.	.	H	α-helix	trans	-69.7	-40	177.9	-165	70.4	-149.1	0	0	111.6	I870 S876 L877 C878 V888 V904 F905 H925	I870-M874 WeakPolarHBondContact O-CB 3.23Å; I870-M874 PolarHBondContact O-N 3.35Å; M874-S876 VanDerWaalsContact C-N 3.33Å; M874-S876 PolarHBondContact O-N 2.78Å; M874-L877 HydrophobicContact CE-CD2 4.32Å; M874-L877 PolarHBondContact O-N 3.42Å; M874-L877 HydrophobicContact SD-CD2 4.27Å; M874-C878 WeakPolarHBondContact O-CB 3.26Å; M874-C878 PolarHBondContact O-N 2.9Å; M874-C878 PolarHBondContact O-SG 2.82Å; M874-V888 HydrophobicContact CE-CG1 3.84Å; M874-V904 HydrophobicContact SD-CG1 4.37Å; M874-V904 HydrophobicContact SD-CG2 4.47Å; M874-F905 HydrophobicContact CE-CE1 3.69Å; M874-F905 HydrophobicContact CE-CZ 3.7Å; M874-F905 HydrophobicContact SD-CE1 3.74Å; M874-F905 HydrophobicContact SD-CZ 3.93Å; M874-H925 HydrophobicContact CE-CB 3.38Å
875	S	49.3	Very low	52.9	Low	74 Å²	74	62.6 Å²	62.6	52%	0.517	36%	0.356	S	S	.	.	H	α-helix	trans	-61	-42.6	171.7	-63.7	0	0	0	0	111.4	D871 L879	D871-S875 WeakPolarHBondContact O-CB 3.31Å; D871-S875 PolarHBondContact O-N 2.84Å; D871-S875 PolarHBondContact O-OG 2.96Å; S875-L879 VanDerWaalsContact O-CB 3.31Å; S875-L879 WeakPolarHBondContact O-CB 3.3Å; S875-L879 PolarHBondContact O-N 3.44Å
876	S	50.8	Low	53.7	Low	54 Å²	54	61.5 Å²	61.5	38%	0.378	35%	0.351	S	S	.	.	H	α-helix	trans	-67	-40	177.2	-60.6	0	0	0	0	112.4	L872 E873 M874 L879 L880	L872-S876 WeakPolarHBondContact O-CB 3.43Å; L872-S876 PolarHBondContact O-N 2.84Å; L872-S876 PolarHBondContact O-OG 2.84Å; E873-S876 PolarHBondContact O-N 2.88Å; M874-S876 VanDerWaalsContact C-N 3.33Å; M874-S876 PolarHBondContact O-N 2.78Å; S876-L879 PolarHBondContact O-N 2.92Å; S876-L880 WeakPolarHBondContact O-CB 3.48Å; S876-L880 VanDerWaalsContact O-CG 3.27Å; S876-L880 WeakPolarHBondContact O-CG 3.37Å; S876-L880 PolarHBondContact O-N 2.83Å
877	L	60.7	Low	54.7	Low	18 Å²	18	61.3 Å²	61.3	9%	0.094	35%	0.351	C	S	.	.	H	α-helix	trans	-65.5	-45.3	177.4	-172.6	71.1	0	0	0	111.2	E873 M874 L879 L880 A881 V888 Y891 L895 L898 V904 F905	E873-L877 VanDerWaalsContact O-CB 3.25Å; E873-L877 WeakPolarHBondContact O-CB 3.28Å; E873-L877 PolarHBondContact O-N 2.82Å; M874-L877 HydrophobicContact CE-CD2 4.32Å; M874-L877 PolarHBondContact O-N 3.42Å; M874-L877 HydrophobicContact SD-CD2 4.27Å; L877-L879 VanDerWaalsContact C-N 3.34Å; L877-L879 PolarHBondContact O-N 3.46Å; L877-L880 PolarHBondContact O-N 2.75Å; L877-A881 WeakPolarHBondContact O-CB 3.47Å; L877-A881 PolarHBondContact O-N 3.36Å; L877-V888 HydrophobicContact CD2-CG1 4.45Å; L877-Y891 HydrophobicContact CD1-CD1 3.84Å; L877-Y891 HydrophobicContact CD1-CE1 3.85Å; L877-L895 HydrophobicContact CD1-CD1 4.48Å; L877-L898 HydrophobicContact CD1-CD1 4.04Å; L877-L898 HydrophobicContact CD2-CD1 3.93Å; L877-V904 HydrophobicContact CD2-CG1 4.23Å; L877-F905 HydrophobicContact CD2-CE2 3.77Å; L877-F905 HydrophobicContact CD2-CZ 3.74Å
878	C	53.5	Low	55.8	Low	35 Å²	35	62.5 Å²	62.5	24%	0.236	36%	0.358	C	S	.	.	H	α-helix	trans	-61.6	-40.6	173.5	-71.7	0	0	0	0	111.9	M874 T882	M874-C878 WeakPolarHBondContact O-CB 3.26Å; M874-C878 PolarHBondContact O-N 2.9Å; M874-C878 PolarHBondContact O-SG 2.82Å; C878-T882 WeakPolarHBondContact O-CB 3.44Å; C878-T882 PolarHBondContact O-N 3.07Å; C878-T882 VanDerWaalsContact O-N 3.14Å; C878-T882 PolarHBondContact O-OG1 3.3Å
879	L	45.1	Very low	57.4	Low	111 Å²	111	60.7 Å²	60.7	58%	0.581	35%	0.349	S	S	*	.	H	α-helix	trans	-63.1	-46.8	175.7	-166.2	78.9	0	0	0	111.4	S875 S876 L877 T882 L883	S875-L879 VanDerWaalsContact O-CB 3.31Å; S875-L879 WeakPolarHBondContact O-CB 3.3Å; S875-L879 PolarHBondContact O-N 3.44Å; S876-L879 PolarHBondContact O-N 2.92Å; L877-L879 VanDerWaalsContact C-N 3.34Å; L877-L879 PolarHBondContact O-N 3.46Å; L879-T882 PolarHBondContact O-N 2.89Å; L879-L883 HydrophobicContact CD2-CD1 4.4Å; L879-L883 HydrophobicContact CG-CD1 4.02Å; L879-L883 WeakPolarHBondContact O-CB 3.21Å; L879-L883 VanDerWaalsContact O-CG 3.25Å; L879-L883 WeakPolarHBondContact O-CG 3.49Å; L879-L883 PolarHBondContact O-N 3.44Å
880	L	45.6	Very low	58.7	Low	84 Å²	84	60.9 Å²	60.9	44%	0.44	35%	0.35	S	S	.	.	H	α-helix	trans	-67.2	-43.5	-178.4	-73.9	169	0	0	0	112.8	S876 L877 T882 L883 M884 Y891	S876-L880 WeakPolarHBondContact O-CB 3.48Å; S876-L880 VanDerWaalsContact O-CG 3.27Å; S876-L880 WeakPolarHBondContact O-CG 3.37Å; S876-L880 PolarHBondContact O-N 2.83Å; L877-L880 PolarHBondContact O-N 2.75Å; L880-T882 PolarHBondContact O-N 2.86Å; L880-L883 PolarHBondContact O-N 2.85Å; L880-M884 WeakPolarHBondContact O-CG 3.46Å; L880-M884 PolarHBondContact O-N 2.81Å; L880-Y891 HydrophobicContact CB-CE1 4.07Å
881	A	50.8	Low	59.6	Low	0 Å²	0	62.8 Å²	62.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-57.3	-49.8	173.4	0	0	0	0	0	111	L877 L883 M884 G885 E886 Y891	L877-A881 WeakPolarHBondContact O-CB 3.47Å; L877-A881 PolarHBondContact O-N 3.36Å; A881-L883 VanDerWaalsContact C-N 3.34Å; A881-L883 PolarHBondContact O-N 3.09Å; A881-M884 PolarHBondContact O-N 2.95Å; A881-M884 VanDerWaalsContact O-N 3.14Å; A881-G885 PolarHBondContact O-N 2.92Å; A881-E886 CarbonylContact C-O 3.56Å; A881-E886 VanDerWaalsContact C-O 3.24Å; A881-E886 PolarHBondContact O-N 3.25Å; A881-E886 VanDerWaalsContact O-O 3.07Å; A881-Y891 HydrophobicContact CB-CD1 3.97Å; A881-Y891 HydrophobicContact CB-CD2 4.49Å; A881-Y891 HydrophobicContact CB-CG 3.79Å
882	T	44.4	Very low	60.4	Low	105 Å²	105	60 Å²	60	64%	0.644	34%	0.343	S	S	*	.	H	α-helix	trans	-60.9	-39.7	178.9	-53.5	0	0	0	0	112.4	C878 L879 L880 G885	C878-T882 WeakPolarHBondContact O-CB 3.44Å; C878-T882 PolarHBondContact O-N 3.07Å; C878-T882 VanDerWaalsContact O-N 3.14Å; C878-T882 PolarHBondContact O-OG1 3.3Å; L879-T882 PolarHBondContact O-N 2.89Å; L880-T882 PolarHBondContact O-N 2.86Å; T882-G885 PolarHBondContact O-N 2.83Å
883	L	46.1	Very low	61.7	Low	119 Å²	119	56.6 Å²	56.6	62%	0.623	32%	0.324	S	S	*	.	H	α-helix	trans	-70.7	-29.8	177	-74.9	169.7	0	0	0	113.4	L879 L880 A881 G885	L879-L883 HydrophobicContact CD2-CD1 4.4Å; L879-L883 HydrophobicContact CG-CD1 4.02Å; L879-L883 WeakPolarHBondContact O-CB 3.21Å; L879-L883 VanDerWaalsContact O-CG 3.25Å; L879-L883 WeakPolarHBondContact O-CG 3.49Å; L879-L883 PolarHBondContact O-N 3.44Å; L880-L883 PolarHBondContact O-N 2.85Å; A881-L883 VanDerWaalsContact C-N 3.34Å; A881-L883 PolarHBondContact O-N 3.09Å; L883-G885 VanDerWaalsContact C-N 3.31Å
884	M	47.6	Very low	62.7	Low	122 Å²	122	57 Å²	57	60%	0.601	32%	0.324	S	S	*	.	H	α-helix	trans	-75.2	-23.1	173.1	-65	-95.1	63.2	0	0	112.1	L880 A881 Y891	L880-M884 WeakPolarHBondContact O-CG 3.46Å; L880-M884 PolarHBondContact O-N 2.81Å; A881-M884 PolarHBondContact O-N 2.95Å; A881-M884 VanDerWaalsContact O-N 3.14Å; M884-Y891 HydrophobicContact CB-CE2 4.42Å; M884-Y891 HydrophobicContact CG-CD2 4.38Å; M884-Y891 HydrophobicContact CG-CE2 3.78Å; M884-Y891 HydrophobicContact SD-CE2 4.38Å
885	G	43.4	Very low	63	Low	68 Å²	68	58.9 Å²	58.9	70%	0.701	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	23.8	-177.2	0	0	0	0	0	113.3	A881 T882 L883	A881-G885 PolarHBondContact O-N 2.92Å; T882-G885 PolarHBondContact O-N 2.83Å; L883-G885 VanDerWaalsContact C-N 3.31Å
886	E	67.2	Low	64.4	Low	71 Å²	71	56.6 Å²	56.6	33%	0.332	32%	0.317	S	S	.	.			trans	-119.5	155.8	-178.3	-58	-171.1	142.5	0	0	110.2	A881 K894	A881-E886 CarbonylContact C-O 3.56Å; A881-E886 VanDerWaalsContact C-O 3.24Å; A881-E886 PolarHBondContact O-N 3.25Å; A881-E886 VanDerWaalsContact O-O 3.07Å; E886-K894 IonicContact OE1-NZ 3.64Å; E886-K894 PolarHBondContact OE1-NZ 3.04Å; E886-K894 IonicContact OE2-NZ 3.91Å; E886-K894 PolarHBondContact OE2-NZ 3.45Å
887	D	75.5	Confident	65.8	Low	87 Å²	87	57.2 Å²	57.2	47%	0.465	31%	0.314	S	S	.	.			trans	-76.8	162	171.2	83.5	-72	0	0	0	110.9	W889 S890 Y891	D887-W889 PolarHBondContact O-N 2.81Å; D887-W889 VanDerWaalsContact O-N 3.16Å; D887-W889 WeakPolarHBondContact OD2-CA 3.39Å; D887-W889 VanDerWaalsContact OD2-CB 3.28Å; D887-W889 WeakPolarHBondContact OD2-CB 3.25Å; D887-W889 PolarHBondContact OD2-N 2.88Å; D887-S890 PolarHBondContact O-N 2.88Å; D887-S890 WeakPolarHBondContact OD1-CB 3.33Å; D887-S890 PolarHBondContact OD1-N 3.23Å; D887-S890 VanDerWaalsContact OD1-N 3.09Å; D887-S890 PolarHBondContact OD1-OG 3.37Å; D887-S890 PolarHBondContact OD2-N 3.01Å; D887-Y891 WeakPolarHBondContact O-CB 3.49Å; D887-Y891 PolarHBondContact O-N 2.84Å
888	V	76.4	Confident	66.8	Low	26 Å²	26	57.2 Å²	57.2	16%	0.158	31%	0.314	C	S	.	.	H	α-helix	trans	-60.1	-30.5	-175.1	-171.5	0	0	0	0	111.7	M874 L877 A892 F905 L926	M874-V888 HydrophobicContact CE-CG1 3.84Å; L877-V888 HydrophobicContact CD2-CG1 4.45Å; V888-A892 WeakPolarHBondContact O-CB 3.16Å; V888-A892 PolarHBondContact O-N 3.04Å; V888-F905 HydrophobicContact CG1-CZ 4.29Å; V888-L926 HydrophobicContact CB-CD2 4.28Å; V888-L926 HydrophobicContact CG1-CD2 3.95Å
889	W	85.5	Confident	68.3	Low	12 Å²	12	55.7 Å²	55.7	5%	0.045	30%	0.303	C	S	.	.	H	α-helix	trans	-75.9	-46.8	174.4	167.5	-100.2	0	0	0	113.1	D887 Y891 A892 K893 F899 L926 K929 F931 L942 V952 V956 E957	D887-W889 PolarHBondContact O-N 2.81Å; D887-W889 VanDerWaalsContact O-N 3.16Å; D887-W889 WeakPolarHBondContact OD2-CA 3.39Å; D887-W889 VanDerWaalsContact OD2-CB 3.28Å; D887-W889 WeakPolarHBondContact OD2-CB 3.25Å; D887-W889 PolarHBondContact OD2-N 2.88Å; W889-Y891 PolarHBondContact O-N 3.03Å; W889-A892 PolarHBondContact O-N 2.81Å; W889-K893 HydrophobicContact CD2-CB 4.22Å; W889-K893 HydrophobicContact CE3-CB 4.38Å; W889-K893 HydrophobicContact CH2-CB 4.11Å; W889-K893 HydrophobicContact CZ2-CB 3.9Å; W889-K893 HydrophobicContact CZ2-CD 4.25Å; W889-K893 HydrophobicContact CZ3-CB 4.32Å; W889-K893 WeakPolarHBondContact O-CB 3.19Å; W889-K893 WeakPolarHBondContact O-CG 3.36Å; W889-K893 PolarHBondContact O-N 3.19Å; W889-F899 HydrophobicContact CE3-CZ 4.22Å; W889-F899 HydrophobicContact CZ3-CE1 4.22Å; W889-F899 AromaticContact CZ3-CZ 3.85Å; W889-F899 HydrophobicContact CZ3-CZ 3.85Å; W889-L926 HydrophobicContact CB-CD2 3.9Å; W889-L926 HydrophobicContact CE3-CD1 4.25Å; W889-L926 HydrophobicContact CE3-CD2 4.33Å; W889-K929 HydrophobicContact CD2-CG 4.42Å; W889-K929 VanDerWaalsContact CE2-NZ 3.28Å; W889-F931 HydrophobicContact CE3-CZ 4.09Å; W889-F931 AromaticContact CH2-CE1 3.97Å; W889-F931 HydrophobicContact CH2-CE1 3.97Å; W889-F931 HydrophobicContact CH2-CZ 4.14Å; W889-F931 AromaticContact CZ3-CE1 3.63Å; W889-F931 HydrophobicContact CZ3-CE1 3.63Å; W889-F931 AromaticContact CZ3-CZ 3.51Å; W889-F931 HydrophobicContact CZ3-CZ 3.51Å; W889-L942 HydrophobicContact CH2-CD1 4.29Å; W889-V952 HydrophobicContact CH2-CG1 3.79Å; W889-V952 HydrophobicContact CZ3-CG1 3.93Å; W889-V956 HydrophobicContact CH2-CG1 4.24Å; W889-V956 HydrophobicContact CZ2-CG1 3.87Å; W889-E957 PolarHBondContact NE1-OE1 3.4Å
890	S	82.1	Confident	70.2	Confident	32 Å²	32	51.4 Å²	51.4	22%	0.224	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-27.6	177.5	-61.8	0	0	0	0	112.9	D887 K894	D887-S890 PolarHBondContact O-N 2.88Å; D887-S890 WeakPolarHBondContact OD1-CB 3.33Å; D887-S890 PolarHBondContact OD1-N 3.23Å; D887-S890 VanDerWaalsContact OD1-N 3.09Å; D887-S890 PolarHBondContact OD1-OG 3.37Å; D887-S890 PolarHBondContact OD2-N 3.01Å; S890-K894 WeakPolarHBondContact O-CD 3.47Å; S890-K894 WeakPolarHBondContact O-CE 3.49Å
891	Y	80.4	Confident	71.5	Confident	46 Å²	46	52.1 Å²	52.1	18%	0.18	28%	0.282	C	S	.	.	H	α-helix	trans	-76.2	-50.9	170.2	-163.6	-108.7	0	0	0	112.1	L877 L880 A881 M884 D887 W889 K894 L895	L877-Y891 HydrophobicContact CD1-CD1 3.84Å; L877-Y891 HydrophobicContact CD1-CE1 3.85Å; L880-Y891 HydrophobicContact CB-CE1 4.07Å; A881-Y891 HydrophobicContact CB-CD1 3.97Å; A881-Y891 HydrophobicContact CB-CD2 4.49Å; A881-Y891 HydrophobicContact CB-CG 3.79Å; M884-Y891 HydrophobicContact CB-CE2 4.42Å; M884-Y891 HydrophobicContact CG-CD2 4.38Å; M884-Y891 HydrophobicContact CG-CE2 3.78Å; M884-Y891 HydrophobicContact SD-CE2 4.38Å; D887-Y891 WeakPolarHBondContact O-CB 3.49Å; D887-Y891 PolarHBondContact O-N 2.84Å; W889-Y891 PolarHBondContact O-N 3.03Å; Y891-K894 WeakPolarHBondContact O-CB 3.42Å; Y891-K894 PolarHBondContact O-N 3.1Å; Y891-L895 HydrophobicContact CD1-CD1 4.48Å; Y891-L895 HydrophobicContact CE1-CD1 4.22Å
892	A	77.3	Confident	72.2	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-69.9	-32.2	-175.3	0	0	0	0	0	114.7	V888 W889 K894 L895 L898 F899 F905 L926	V888-A892 WeakPolarHBondContact O-CB 3.16Å; V888-A892 PolarHBondContact O-N 3.04Å; W889-A892 PolarHBondContact O-N 2.81Å; A892-K894 PolarHBondContact O-N 3.27Å; A892-L895 CarbonylContact O-C 3.56Å; A892-L895 WeakPolarHBondContact O-CA 3.48Å; A892-L895 PolarHBondContact O-N 3.31Å; A892-L898 HydrophobicContact CB-CD1 4.17Å; A892-F899 HydrophobicContact CB-CE2 4.17Å; A892-F899 HydrophobicContact CB-CZ 4.24Å; A892-F905 HydrophobicContact CB-CE2 3.65Å; A892-F905 HydrophobicContact CB-CZ 4.34Å; A892-L926 HydrophobicContact CB-CD2 4.34Å
893	K	81.3	Confident	73.8	Confident	28 Å²	28	49.9 Å²	49.9	12%	0.122	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.1	179	77.5	-169.4	-171.6	-166.3	0	112.9	W889 L895 G953 E957	W889-K893 HydrophobicContact CD2-CB 4.22Å; W889-K893 HydrophobicContact CE3-CB 4.38Å; W889-K893 HydrophobicContact CH2-CB 4.11Å; W889-K893 HydrophobicContact CZ2-CB 3.9Å; W889-K893 HydrophobicContact CZ2-CD 4.25Å; W889-K893 HydrophobicContact CZ3-CB 4.32Å; W889-K893 WeakPolarHBondContact O-CB 3.19Å; W889-K893 WeakPolarHBondContact O-CG 3.36Å; W889-K893 PolarHBondContact O-N 3.19Å; K893-L895 PolarHBondContact O-N 2.91Å; K893-G953 CarbonylContact O-C 3.55Å; K893-G953 WeakPolarHBondContact O-CA 3.14Å; K893-E957 IonicContact NZ-OE1 3.86Å; K893-E957 IonicContact NZ-OE2 3.91Å; K893-E957 PolarHBondContact NZ-OE2 3.21Å
894	K	81.5	Confident	75.3	Confident	95 Å²	95	44.4 Å²	44.4	41%	0.413	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-7.3	172.7	-57.4	169.7	-178	173.6	0	113.2	E886 S890 Y891 A892 P896	E886-K894 IonicContact OE1-NZ 3.64Å; E886-K894 PolarHBondContact OE1-NZ 3.04Å; E886-K894 IonicContact OE2-NZ 3.91Å; E886-K894 PolarHBondContact OE2-NZ 3.45Å; S890-K894 WeakPolarHBondContact O-CD 3.47Å; S890-K894 WeakPolarHBondContact O-CE 3.49Å; Y891-K894 WeakPolarHBondContact O-CB 3.42Å; Y891-K894 PolarHBondContact O-N 3.1Å; A892-K894 PolarHBondContact O-N 3.27Å; K894-P896 WeakPolarHBondContact O-CD 3.24Å
895	L	78.6	Confident	76.9	Confident	50 Å²	50	38.6 Å²	38.6	26%	0.262	22%	0.222	S	C	.	.			trans	-125.4	69.7	-175	-58.3	176.2	0	0	0	110	L877 Y891 A892 K893 H897 L898	L877-L895 HydrophobicContact CD1-CD1 4.48Å; Y891-L895 HydrophobicContact CD1-CD1 4.48Å; Y891-L895 HydrophobicContact CE1-CD1 4.22Å; A892-L895 CarbonylContact O-C 3.56Å; A892-L895 WeakPolarHBondContact O-CA 3.48Å; A892-L895 PolarHBondContact O-N 3.31Å; K893-L895 PolarHBondContact O-N 2.91Å; L895-H897 PolarHBondContact O-N 3.49Å; L895-L898 HydrophobicContact CB-CD1 3.8Å; L895-L898 HydrophobicContact CB-CG 3.99Å; L895-L898 HydrophobicContact CD1-CD1 4.06Å; L895-L898 WeakPolarHBondContact O-CG 3.25Å; L895-L898 PolarHBondContact O-N 2.92Å
896	P	79.4	Confident	78.8	Confident	25 Å²	25	35.5 Å²	35.5	16%	0.162	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-52.1	-36.5	-171.7	-28.2	34.8	0	0	0	113.9	K894 L898 F899 Q900	K894-P896 WeakPolarHBondContact O-CD 3.24Å; P896-L898 PolarHBondContact O-N 3.37Å; P896-F899 WeakPolarHBondContact O-CB 3.28Å; P896-F899 PolarHBondContact O-N 3.44Å; P896-Q900 WeakPolarHBondContact O-CG 3.43Å
897	H	79	Confident	79.1	Confident	67 Å²	67	33.6 Å²	33.6	31%	0.31	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-55.4	-24	-178.6	67.4	-88.7	0	0	0	114.4	H844 L895 F899 Q900 G903	H844-H897 AromaticContact CD2-ND1 4Å; H844-H897 AromaticContact CE1-CE1 3.8Å; H844-H897 AromaticContact CE1-CG 3.74Å; H844-H897 AromaticContact CE1-ND1 3.05Å; H844-H897 PolarHBondContact CE1-ND1 3Å; H844-H897 AromaticContact ND1-CG 3.95Å; H844-H897 AromaticContact ND1-ND1 3.68Å; H844-H897 AromaticContact NE2-ND1 3.23Å; H844-H897 PolarHBondContact NE2-ND1 3.43Å; L895-H897 PolarHBondContact O-N 3.49Å; H897-F899 PolarHBondContact O-N 3.33Å; H897-Q900 PolarHBondContact O-N 3.42Å; H897-Q900 VanDerWaalsContact O-N 3.12Å; H897-G903 WeakPolarHBondContact O-CA 3.19Å
898	L	81.8	Confident	78.7	Confident	19 Å²	19	29.6 Å²	29.6	10%	0.099	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-63.6	-24.6	174.4	-58	179.7	0	0	0	112.7	L877 A892 L895 P896 G903 V904 F905 Y906	L877-L898 HydrophobicContact CD1-CD1 4.04Å; L877-L898 HydrophobicContact CD2-CD1 3.93Å; A892-L898 HydrophobicContact CB-CD1 4.17Å; L895-L898 HydrophobicContact CB-CD1 3.8Å; L895-L898 HydrophobicContact CB-CG 3.99Å; L895-L898 HydrophobicContact CD1-CD1 4.06Å; L895-L898 WeakPolarHBondContact O-CG 3.25Å; L895-L898 PolarHBondContact O-N 2.92Å; P896-L898 PolarHBondContact O-N 3.37Å; L898-G903 CarbonylContact O-C 3.56Å; L898-G903 VanDerWaalsContact O-C 3.31Å; L898-V904 HydrophobicContact CB-CG1 4.43Å; L898-V904 HydrophobicContact CD2-CG1 4.16Å; L898-V904 PolarHBondContact O-N 2.98Å; L898-F905 HydrophobicContact CB-CD2 3.72Å; L898-F905 HydrophobicContact CB-CE2 4.24Å; L898-F905 HydrophobicContact CD1-CD2 4.4Å; L898-F905 HydrophobicContact CD1-CE2 4.07Å; L898-F905 WeakPolarHBondContact O-CA 3.39Å; L898-F905 WeakPolarHBondContact O-CB 3.4Å; L898-F905 PolarHBondContact O-N 3.16Å; L898-Y906 PolarHBondContact O-N 3.07Å
899	F	85.4	Confident	78.6	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.009	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-101.2	5.9	177.5	-55.7	-93.7	0	0	0	112.9	W889 A892 P896 H897 F905 L923 L926 F931 L940 V952	W889-F899 HydrophobicContact CE3-CZ 4.22Å; W889-F899 HydrophobicContact CZ3-CE1 4.22Å; W889-F899 AromaticContact CZ3-CZ 3.85Å; W889-F899 HydrophobicContact CZ3-CZ 3.85Å; A892-F899 HydrophobicContact CB-CE2 4.17Å; A892-F899 HydrophobicContact CB-CZ 4.24Å; P896-F899 WeakPolarHBondContact O-CB 3.28Å; P896-F899 PolarHBondContact O-N 3.44Å; H897-F899 PolarHBondContact O-N 3.33Å; F899-F905 HydrophobicContact CD1-CB 3.9Å; F899-F905 HydrophobicContact CD1-CD2 4.37Å; F899-F905 HydrophobicContact CD1-CG 4.4Å; F899-F905 HydrophobicContact CD2-CD2 4.44Å; F899-F905 HydrophobicContact CE1-CB 3.98Å; F899-F905 AromaticContact CE1-CD2 3.86Å; F899-F905 HydrophobicContact CE1-CD2 3.86Å; F899-F905 HydrophobicContact CE1-CG 4.01Å; F899-F905 AromaticContact CE2-CD2 3.92Å; F899-F905 HydrophobicContact CE2-CD2 3.92Å; F899-F905 HydrophobicContact CE2-CE2 4.46Å; F899-F905 HydrophobicContact CG-CB 4.43Å; F899-F905 AromaticContact CZ-CD2 3.6Å; F899-F905 HydrophobicContact CZ-CD2 3.6Å; F899-F905 HydrophobicContact CZ-CE2 4.11Å; F899-F905 HydrophobicContact CZ-CG 4.22Å; F899-L923 HydrophobicContact CD1-CD1 4.33Å; F899-L923 HydrophobicContact CE1-CD1 4.02Å; F899-L926 HydrophobicContact CE1-CD1 3.46Å; F899-L926 VanDerWaalsContact CE1-CD1 3.46Å; F899-L926 HydrophobicContact CZ-CD1 3.49Å; F899-L926 VanDerWaalsContact CZ-CD1 3.49Å; F899-F931 HydrophobicContact CD1-CE1 4.4Å; F899-F931 HydrophobicContact CE1-CE1 4.01Å; F899-F931 HydrophobicContact CE1-CZ 4.18Å; F899-L940 HydrophobicContact CB-CB 4.42Å; F899-V952 HydrophobicContact CB-CB 4.42Å; F899-V952 HydrophobicContact CD1-CG1 4.34Å; F899-V952 HydrophobicContact CD1-CG2 4.31Å; F899-V952 HydrophobicContact CD2-CB 4.25Å; F899-V952 HydrophobicContact CD2-CG1 3.65Å; F899-V952 HydrophobicContact CE1-CG1 4.38Å; F899-V952 HydrophobicContact CE2-CG1 3.72Å; F899-V952 HydrophobicContact CG-CB 4.18Å; F899-V952 HydrophobicContact CG-CG1 3.98Å; F899-V952 HydrophobicContact CG-CG2 4.35Å; F899-V952 HydrophobicContact CZ-CG1 4.09Å
900	Q	84.8	Confident	78	Confident	21 Å²	21	32.8 Å²	32.8	10%	0.098	17%	0.172	C	C	.	.	S	Bend	trans	-116.4	171.4	-177.3	-59.5	180	-24.8	0	0	111.1	S845 A846 L847 P896 H897 G902 G903 Y906	S845-Q900 PolarHBondContact OG-NE2 2.86Å; A846-Q900 HydrophobicContact CB-CB 3.56Å; A846-Q900 HydrophobicContact CB-CG 4.26Å; L847-Q900 HydrophobicContact CD2-CB 3.7Å; L847-Q900 HydrophobicContact CD2-CG 3.8Å; P896-Q900 WeakPolarHBondContact O-CG 3.43Å; H897-Q900 PolarHBondContact O-N 3.42Å; H897-Q900 VanDerWaalsContact O-N 3.12Å; Q900-G902 PolarHBondContact O-N 3.38Å; Q900-G902 VanDerWaalsContact O-N 3.08Å; Q900-G903 PolarHBondContact O-N 3.05Å; Q900-Y906 VanDerWaalsContact C-CG 3.5Å; Q900-Y906 WeakPolarHBondContact O-CB 3.46Å; Q900-Y906 VanDerWaalsContact O-CD2 3.25Å; Q900-Y906 WeakPolarHBondContact O-CD2 3.31Å
901	Q	73.3	Confident	77	Confident	99 Å²	99	32.1 Å²	32.1	46%	0.463	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	118.4	-170.2	-175.9	171.4	118.9	0	0	113.3	L847 H848 Y906	L847-Q901 VanDerWaalsContact O-CB 3.23Å; L847-Q901 WeakPolarHBondContact O-CB 3.32Å; L847-Q901 PolarHBondContact O-NE2 2.87Å; H848-Q901 PolarHBondContact O-NE2 2.89Å; Q901-Y906 HydrophobicContact CB-CE1 4.1Å; Q901-Y906 HydrophobicContact CB-CE2 3.78Å; Q901-Y906 WeakPolarHBondContact CB-OH 3.38Å; Q901-Y906 HydrophobicContact CG-CE1 3.99Å; Q901-Y906 WeakPolarHBondContact CG-OH 3.34Å; Q901-Y906 VanDerWaalsContact N-CE2 3.27Å; Q901-Y906 PolarHBondContact NE2-OH 3.43Å; Q901-Y906 VanDerWaalsContact NE2-OH 3.14Å
902	G	65.8	Low	75.9	Confident	50 Å²	50	30.1 Å²	30.1	52%	0.515	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.2	-13.3	-178.4	0	0	0	0	0	114.9	Q900 N907	Q900-G902 PolarHBondContact O-N 3.38Å; Q900-G902 VanDerWaalsContact O-N 3.08Å; G902-N907 VanDerWaalsContact C-ND2 3.35Å; G902-N907 PolarHBondContact O-ND2 2.66Å
903	G	78.1	Confident	75.2	Confident	8 Å²	8	31.9 Å²	31.9	8%	0.082	17%	0.166	C	C	.	.	S	Bend	trans	-75.7	160.6	178.1	0	0	0	0	0	114.7	H897 L898 Q900 F905 Y906 N907	H897-G903 WeakPolarHBondContact O-CA 3.19Å; L898-G903 CarbonylContact O-C 3.56Å; L898-G903 VanDerWaalsContact O-C 3.31Å; Q900-G903 PolarHBondContact O-N 3.05Å; G903-F905 PolarHBondContact O-N 3.35Å; G903-Y906 PolarHBondContact O-N 3.12Å; G903-N907 VanDerWaalsContact O-CB 3.23Å; G903-N907 WeakPolarHBondContact O-CB 3.31Å; G903-N907 PolarHBondContact O-N 2.8Å; G903-N907 PolarHBondContact O-ND2 2.93Å
904	V	77.6	Confident	74.3	Confident	4 Å²	4	31.9 Å²	31.9	2%	0.024	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-44.6	-171.9	77.2	0	0	0	0	113.7	I870 M874 L877 L898 N907 I908	I870-V904 HydrophobicContact CG2-CG2 3.88Å; M874-V904 HydrophobicContact SD-CG1 4.37Å; M874-V904 HydrophobicContact SD-CG2 4.47Å; L877-V904 HydrophobicContact CD2-CG1 4.23Å; L898-V904 HydrophobicContact CB-CG1 4.43Å; L898-V904 HydrophobicContact CD2-CG1 4.16Å; L898-V904 PolarHBondContact O-N 2.98Å; V904-N907 PolarHBondContact O-N 2.88Å; V904-I908 HydrophobicContact CG2-CD1 4.27Å; V904-I908 WeakPolarHBondContact O-CB 3.35Å; V904-I908 WeakPolarHBondContact O-CD1 3.41Å; V904-I908 WeakPolarHBondContact O-CG1 3.43Å; V904-I908 PolarHBondContact O-N 2.64Å
905	F	81.6	Confident	73.8	Confident	1 Å²	1	29.4 Å²	29.4	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-73.7	-37.5	179.7	-64.1	-60.9	0	0	0	112.4	M874 L877 V888 A892 L898 F899 G903 N907 I908 V909 L923 H925 L926	M874-F905 HydrophobicContact CE-CE1 3.69Å; M874-F905 HydrophobicContact CE-CZ 3.7Å; M874-F905 HydrophobicContact SD-CE1 3.74Å; M874-F905 HydrophobicContact SD-CZ 3.93Å; L877-F905 HydrophobicContact CD2-CE2 3.77Å; L877-F905 HydrophobicContact CD2-CZ 3.74Å; V888-F905 HydrophobicContact CG1-CZ 4.29Å; A892-F905 HydrophobicContact CB-CE2 3.65Å; A892-F905 HydrophobicContact CB-CZ 4.34Å; L898-F905 HydrophobicContact CB-CD2 3.72Å; L898-F905 HydrophobicContact CB-CE2 4.24Å; L898-F905 HydrophobicContact CD1-CD2 4.4Å; L898-F905 HydrophobicContact CD1-CE2 4.07Å; L898-F905 WeakPolarHBondContact O-CA 3.39Å; L898-F905 WeakPolarHBondContact O-CB 3.4Å; L898-F905 PolarHBondContact O-N 3.16Å; F899-F905 HydrophobicContact CD1-CB 3.9Å; F899-F905 HydrophobicContact CD1-CD2 4.37Å; F899-F905 HydrophobicContact CD1-CG 4.4Å; F899-F905 HydrophobicContact CD2-CD2 4.44Å; F899-F905 HydrophobicContact CE1-CB 3.98Å; F899-F905 AromaticContact CE1-CD2 3.86Å; F899-F905 HydrophobicContact CE1-CD2 3.86Å; F899-F905 HydrophobicContact CE1-CG 4.01Å; F899-F905 AromaticContact CE2-CD2 3.92Å; F899-F905 HydrophobicContact CE2-CD2 3.92Å; F899-F905 HydrophobicContact CE2-CE2 4.46Å; F899-F905 HydrophobicContact CG-CB 4.43Å; F899-F905 AromaticContact CZ-CD2 3.6Å; F899-F905 HydrophobicContact CZ-CD2 3.6Å; F899-F905 HydrophobicContact CZ-CE2 4.11Å; F899-F905 HydrophobicContact CZ-CG 4.22Å; G903-F905 PolarHBondContact O-N 3.35Å; F905-N907 VanDerWaalsContact C-N 3.35Å; F905-I908 HydrophobicContact CD1-CD1 4.32Å; F905-I908 WeakPolarHBondContact O-CB 3.47Å; F905-I908 PolarHBondContact O-N 3.38Å; F905-V909 PolarHBondContact O-N 3.05Å; F905-L923 HydrophobicContact CB-CD1 3.89Å; F905-L923 HydrophobicContact CD1-CD1 4.18Å; F905-L923 HydrophobicContact CD1-CD2 4.29Å; F905-L923 HydrophobicContact CG-CD1 4.24Å; F905-H925 HydrophobicContact CE1-CB 4.42Å; F905-L926 HydrophobicContact CD1-CD1 3.77Å; F905-L926 HydrophobicContact CD1-CG 4.35Å; F905-L926 HydrophobicContact CD2-CD1 4.02Å; F905-L926 HydrophobicContact CE1-CD1 3.68Å; F905-L926 HydrophobicContact CE1-CD2 4.26Å; F905-L926 HydrophobicContact CE1-CG 3.82Å; F905-L926 HydrophobicContact CE2-CD1 3.97Å; F905-L926 HydrophobicContact CE2-CD2 4.4Å; F905-L926 HydrophobicContact CG-CD1 3.95Å; F905-L926 HydrophobicContact CZ-CD1 3.79Å; F905-L926 HydrophobicContact CZ-CD2 3.88Å; F905-L926 HydrophobicContact CZ-CG 3.94Å
906	Y	81.4	Confident	73	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-58.3	-47.1	169.1	179.3	-77	0	0	0	111.7	H848 L898 Q900 Q901 G903 I908 V909 K910	H848-Y906 WeakPolarHBondContact CA-OH 3.35Å; H848-Y906 AromaticContact CE1-CD2 3.75Å; H848-Y906 AromaticContact CE1-CE2 3.13Å; H848-Y906 WeakPolarHBondContact CE1-CE2 3.31Å; H848-Y906 AromaticContact CE1-CZ 3.82Å; H848-Y906 AromaticContact ND1-CD2 3.93Å; H848-Y906 AromaticContact ND1-CE2 2.87Å; H848-Y906 WeakPolarHBondContact ND1-CE2 3.45Å; H848-Y906 AromaticContact ND1-CZ 3.18Å; H848-Y906 PolarHBondContact ND1-OH 3.44Å; L898-Y906 PolarHBondContact O-N 3.07Å; Q900-Y906 VanDerWaalsContact C-CG 3.5Å; Q900-Y906 WeakPolarHBondContact O-CB 3.46Å; Q900-Y906 VanDerWaalsContact O-CD2 3.25Å; Q900-Y906 WeakPolarHBondContact O-CD2 3.31Å; Q901-Y906 HydrophobicContact CB-CE1 4.1Å; Q901-Y906 HydrophobicContact CB-CE2 3.78Å; Q901-Y906 WeakPolarHBondContact CB-OH 3.38Å; Q901-Y906 HydrophobicContact CG-CE1 3.99Å; Q901-Y906 WeakPolarHBondContact CG-OH 3.34Å; Q901-Y906 VanDerWaalsContact N-CE2 3.27Å; Q901-Y906 PolarHBondContact NE2-OH 3.43Å; Q901-Y906 VanDerWaalsContact NE2-OH 3.14Å; G903-Y906 PolarHBondContact O-N 3.12Å; Y906-I908 VanDerWaalsContact C-N 3.26Å; Y906-I908 PolarHBondContact O-N 3.35Å; Y906-V909 PolarHBondContact O-N 3.36Å; Y906-K910 HydrophobicContact CD1-CB 4.29Å; Y906-K910 HydrophobicContact CE1-CB 4.21Å; Y906-K910 HydrophobicContact CE1-CD 3.72Å; Y906-K910 WeakPolarHBondContact O-CB 3.41Å; Y906-K910 PolarHBondContact O-N 2.84Å
907	N	74.3	Confident	72.6	Confident	32 Å²	32	36.3 Å²	36.3	17%	0.171	20%	0.199	C	C	.	.	H	α-helix	trans	-68.7	-28.1	-179.9	-72.3	-23	0	0	0	111.7	I870 G902 G903 V904 F905 K911	I870-N907 HydrophobicContact CD1-CB 3.76Å; G902-N907 VanDerWaalsContact C-ND2 3.35Å; G902-N907 PolarHBondContact O-ND2 2.66Å; G903-N907 VanDerWaalsContact O-CB 3.23Å; G903-N907 WeakPolarHBondContact O-CB 3.31Å; G903-N907 PolarHBondContact O-N 2.8Å; G903-N907 PolarHBondContact O-ND2 2.93Å; V904-N907 PolarHBondContact O-N 2.88Å; F905-N907 VanDerWaalsContact C-N 3.35Å; N907-K911 WeakPolarHBondContact O-CD 3.32Å; N907-K911 PolarHBondContact O-N 2.92Å
908	I	66.5	Low	71.9	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-65	-58.2	167.3	-75.4	165	0	0	0	110.1	I870 V904 F905 Y906 K910 K911 D912 L923	I870-I908 HydrophobicContact CG2-CD1 4.07Å; I870-I908 HydrophobicContact CG2-CG1 4.01Å; V904-I908 HydrophobicContact CG2-CD1 4.27Å; V904-I908 WeakPolarHBondContact O-CB 3.35Å; V904-I908 WeakPolarHBondContact O-CD1 3.41Å; V904-I908 WeakPolarHBondContact O-CG1 3.43Å; V904-I908 PolarHBondContact O-N 2.64Å; F905-I908 HydrophobicContact CD1-CD1 4.32Å; F905-I908 WeakPolarHBondContact O-CB 3.47Å; F905-I908 PolarHBondContact O-N 3.38Å; Y906-I908 VanDerWaalsContact C-N 3.26Å; Y906-I908 PolarHBondContact O-N 3.35Å; I908-K910 PolarHBondContact O-N 2.85Å; I908-K911 PolarHBondContact O-N 2.9Å; I908-D912 WeakPolarHBondContact CG2-OD2 3.29Å; I908-D912 VanDerWaalsContact O-CB 3.29Å; I908-D912 WeakPolarHBondContact O-CB 3.46Å; I908-D912 VanDerWaalsContact O-CG 3.3Å; I908-D912 PolarHBondContact O-N 3.49Å; I908-L923 HydrophobicContact CB-CD2 4.31Å; I908-L923 HydrophobicContact CG2-CD2 3.47Å; I908-L923 VanDerWaalsContact CG2-CD2 3.47Å
909	V	76.1	Confident	71.3	Confident	2 Å²	2	39 Å²	39	1%	0.012	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-41.4	-179.9	-174	0	0	0	0	112.4	F905 Y906 K911 M913 G914 L915 L923 L940	F905-V909 PolarHBondContact O-N 3.05Å; Y906-V909 PolarHBondContact O-N 3.36Å; V909-K911 PolarHBondContact O-N 2.74Å; V909-M913 HydrophobicContact CG1-CB 3.98Å; V909-M913 HydrophobicContact CG1-CG 4.4Å; V909-M913 PolarHBondContact O-N 3.46Å; V909-G914 PolarHBondContact O-N 3.19Å; V909-L915 HydrophobicContact CG1-CD2 4.36Å; V909-L923 HydrophobicContact CG2-CD1 4.29Å; V909-L923 HydrophobicContact CG2-CD2 3.73Å; V909-L923 HydrophobicContact CG2-CG 4.14Å; V909-L940 HydrophobicContact CB-CD1 3.95Å; V909-L940 HydrophobicContact CB-CD2 4.09Å; V909-L940 HydrophobicContact CG1-CD2 3.87Å; V909-L940 HydrophobicContact CG2-CD1 3.56Å; V909-L940 HydrophobicContact CG2-CD2 4.21Å
910	K	72.9	Confident	70.8	Confident	104 Å²	104	43.4 Å²	43.4	45%	0.452	24%	0.242	S	C	.	.	H	α-helix	trans	-58.8	-33.2	179.8	178.8	163.5	-170.9	167.3	0	113.2	Y906 I908 L915	Y906-K910 HydrophobicContact CD1-CB 4.29Å; Y906-K910 HydrophobicContact CE1-CB 4.21Å; Y906-K910 HydrophobicContact CE1-CD 3.72Å; Y906-K910 WeakPolarHBondContact O-CB 3.41Å; Y906-K910 PolarHBondContact O-N 2.84Å; I908-K910 PolarHBondContact O-N 2.85Å; K910-L915 HydrophobicContact CB-CD1 3.8Å; K910-L915 HydrophobicContact CB-CD2 3.71Å; K910-L915 HydrophobicContact CB-CG 3.79Å; K910-L915 HydrophobicContact CD-CD1 3.54Å; K910-L915 HydrophobicContact CD-CG 4.37Å; K910-L915 HydrophobicContact CG-CD1 3.51Å; K910-L915 HydrophobicContact CG-CD2 4.29Å; K910-L915 HydrophobicContact CG-CG 3.78Å
911	K	60.8	Low	70.1	Confident	17 Å²	17	42.8 Å²	42.8	7%	0.074	24%	0.24	C	C	.	.	H	α-helix	trans	-96.2	-45.4	178.7	119.5	-88	-175.4	-162.3	0	112.2	N907 I908 V909 Q1082 K1086	N907-K911 WeakPolarHBondContact O-CD 3.32Å; N907-K911 PolarHBondContact O-N 2.92Å; I908-K911 PolarHBondContact O-N 2.9Å; V909-K911 PolarHBondContact O-N 2.74Å; K911-Q1082 WeakPolarHBondContact CE-O 3.15Å; K911-Q1082 HydrophobicContact CG-CB 4.32Å; K911-Q1082 VanDerWaalsContact CG-O 3.31Å; K911-Q1082 WeakPolarHBondContact CG-O 3.42Å; K911-Q1082 WeakPolarHBondContact O-CB 3.41Å; K911-Q1082 WeakPolarHBondContact O-CG 3.35Å; K911-Q1082 PolarHBondContact O-NE2 2.86Å; K911-Q1082 VanDerWaalsContact O-NE2 3.14Å; K911-Q1082 PolarHBondContact O-OE1 3.11Å; K911-Q1082 VanDerWaalsContact O-OE1 3.14Å; K911-K1086 HydrophobicContact CB-CG 4.44Å; K911-K1086 HydrophobicContact CD-CB 3.69Å; K911-K1086 HydrophobicContact CD-CD 4.5Å; K911-K1086 HydrophobicContact CD-CG 3.98Å; K911-K1086 WeakPolarHBondContact CE-O 3.3Å; K911-K1086 HydrophobicContact CG-CB 4.13Å; K911-K1086 HydrophobicContact CG-CG 3.93Å; K911-K1086 PolarHBondContact NZ-O 2.91Å
912	D	55.8	Low	70.1	Confident	5 Å²	5	42 Å²	42	3%	0.027	24%	0.242	C	C	.	.	H	α-helix	trans	-79.2	-34.1	-171.3	-60.7	-30	0	0	0	114.1	I908 L1079 Q1083	I908-D912 WeakPolarHBondContact CG2-OD2 3.29Å; I908-D912 VanDerWaalsContact O-CB 3.29Å; I908-D912 WeakPolarHBondContact O-CB 3.46Å; I908-D912 VanDerWaalsContact O-CG 3.3Å; I908-D912 PolarHBondContact O-N 3.49Å; D912-L1079 HydrophobicContact CB-CB 4.25Å; D912-L1079 HydrophobicContact CB-CG 3.96Å; D912-L1079 WeakPolarHBondContact O-CA 3.4Å; D912-L1079 WeakPolarHBondContact O-CD1 3.39Å; D912-L1079 WeakPolarHBondContact O-CG 3.32Å; D912-Q1083 WeakPolarHBondContact OD1-CA 3.27Å; D912-Q1083 WeakPolarHBondContact OD1-CB 3.48Å; D912-Q1083 PolarHBondContact OD1-N 3.49Å
913	M	63.8	Low	70.4	Confident	36 Å²	36	39.8 Å²	39.8	18%	0.177	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-15.1	-165	-53	-163.7	69.5	0	0	114.4	V909 K919 C921 L1079	V909-M913 HydrophobicContact CG1-CB 3.98Å; V909-M913 HydrophobicContact CG1-CG 4.4Å; V909-M913 PolarHBondContact O-N 3.46Å; M913-K919 PolarHBondContact O-NZ 3.36Å; M913-C921 HydrophobicContact CE-CB 3.42Å; M913-C921 VanDerWaalsContact CE-CB 3.42Å; M913-C921 HydrophobicContact SD-CB 3.45Å; M913-C921 WeakPolarHBondContact SD-CB 3.27Å; M913-L1079 HydrophobicContact CE-CD1 4.32Å; M913-L1079 HydrophobicContact CE-CD2 4.01Å; M913-L1079 HydrophobicContact CG-CD1 4.08Å; M913-L1079 HydrophobicContact CG-CD2 3.82Å; M913-L1079 HydrophobicContact CG-CG 3.82Å; M913-L1079 HydrophobicContact SD-CD2 3.98Å
914	G	61.1	Low	69.5	Low	29 Å²	29	41.6 Å²	41.6	30%	0.299	23%	0.229	S	C	.	.			trans	78.3	144.3	-170.3	0	0	0	0	0	112.6	V909 M916	V909-G914 PolarHBondContact O-N 3.19Å; G914-M916 PolarHBondContact O-N 3.02Å
915	L	71.5	Confident	69	Low	42 Å²	42	45 Å²	45	22%	0.22	24%	0.244	C	C	.	.			trans	-91	86.6	178.7	-72.5	-162.4	0	0	0	109.8	V909 K910 Y933	V909-L915 HydrophobicContact CG1-CD2 4.36Å; K910-L915 HydrophobicContact CB-CD1 3.8Å; K910-L915 HydrophobicContact CB-CD2 3.71Å; K910-L915 HydrophobicContact CB-CG 3.79Å; K910-L915 HydrophobicContact CD-CD1 3.54Å; K910-L915 HydrophobicContact CD-CG 4.37Å; K910-L915 HydrophobicContact CG-CD1 3.51Å; K910-L915 HydrophobicContact CG-CD2 4.29Å; K910-L915 HydrophobicContact CG-CG 3.78Å; L915-Y933 HydrophobicContact CB-CD2 3.91Å; L915-Y933 HydrophobicContact CB-CE1 4.22Å; L915-Y933 HydrophobicContact CB-CE2 3.24Å; L915-Y933 VanDerWaalsContact CB-CZ 3.46Å; L915-Y933 HydrophobicContact CD1-CE2 3.62Å; L915-Y933 HydrophobicContact CD2-CD2 3.47Å; L915-Y933 VanDerWaalsContact CD2-CD2 3.47Å; L915-Y933 HydrophobicContact CD2-CE2 3.36Å; L915-Y933 HydrophobicContact CG-CD2 4.08Å; L915-Y933 HydrophobicContact CG-CE2 3.48Å; L915-Y933 VanDerWaalsContact CG-CE2 3.48Å
916	M	62.3	Low	68.5	Low	115 Å²	115	45.1 Å²	45.1	57%	0.567	25%	0.245	S	C	*	.			trans	-126.6	129.1	-175.1	-62.8	-172.6	76.4	0	0	112	G914 K919 Y933	G914-M916 PolarHBondContact O-N 3.02Å; M916-K919 HydrophobicContact CB-CB 4.1Å; M916-K919 HydrophobicContact CB-CD 4.04Å; M916-K919 VanDerWaalsContact O-CB 3.28Å; M916-K919 WeakPolarHBondContact O-CB 3.39Å; M916-K919 PolarHBondContact O-N 2.88Å; M916-K919 HydrophobicContact SD-CD 4.23Å; M916-Y933 WeakPolarHBondContact O-CB 3.37Å; M916-Y933 VanDerWaalsContact O-CD1 3.31Å; M916-Y933 WeakPolarHBondContact O-CD1 3.41Å
917	D	70.4	Confident	67.6	Low	105 Å²	105	50.7 Å²	50.7	56%	0.561	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	136.2	-173.3	-147.6	10	0	0	0	113.2	K919 A935	D917-K919 PolarHBondContact O-N 2.91Å; D917-A935 HydrophobicContact CB-CB 3.56Å; D917-A935 WeakPolarHBondContact OD1-CB 3.4Å; D917-A935 PolarHBondContact OD1-N 2.8Å
918	G	64.8	Low	66.9	Low	43 Å²	43	53 Å²	53	44%	0.443	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	9.4	179.2	0	0	0	0	0	115.2	H920 Y933	G918-H920 PolarHBondContact O-CD2 3.18Å; G918-Y933 PolarHBondContact N-O 2.77Å
919	K	69.5	Low	67.6	Low	101 Å²	101	55.1 Å²	55.1	44%	0.439	32%	0.319	S	S	.	.			trans	-88	124.6	178.7	-169.2	-176.9	176	-168.4	0	110.6	M913 M916 D917 Y933	M913-K919 PolarHBondContact O-NZ 3.36Å; M916-K919 HydrophobicContact CB-CB 4.1Å; M916-K919 HydrophobicContact CB-CD 4.04Å; M916-K919 VanDerWaalsContact O-CB 3.28Å; M916-K919 WeakPolarHBondContact O-CB 3.39Å; M916-K919 PolarHBondContact O-N 2.88Å; M916-K919 HydrophobicContact SD-CD 4.23Å; D917-K919 PolarHBondContact O-N 2.91Å; K919-Y933 PolarHBondContact O-N 3.09Å
920	H	75.4	Confident	67.9	Low	93 Å²	93	56.9 Å²	56.9	43%	0.431	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	143.1	-176.3	-61.7	-125.3	0	0	0	111.5	G918 T930 F931 C943 H949	G918-H920 PolarHBondContact O-CD2 3.18Å; H920-T930 HydrophobicContact CB-CG2 4.04Å; H920-F931 CarbonylContact C-O 3.5Å; H920-F931 VanDerWaalsContact CA-O 3.24Å; H920-F931 WeakPolarHBondContact CA-O 3.23Å; H920-C943 PolarHBondContact CE1-SG 3.01Å; H920-C943 PolarHBondContact ND1-SG 3.45Å; H920-H949 AromaticContact CE1-CE1 3.87Å; H920-H949 AromaticContact CE1-NE2 3.1Å; H920-H949 PolarHBondContact CE1-NE2 3.09Å; H920-H949 AromaticContact NE2-CE1 3.88Å; H920-H949 AromaticContact NE2-NE2 3.56Å
921	C	68.6	Low	68.6	Low	8 Å²	8	51.9 Å²	51.9	5%	0.054	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	146.3	-172.2	49.7	0	0	0	0	112.3	M913 F931	M913-C921 HydrophobicContact CE-CB 3.42Å; M913-C921 VanDerWaalsContact CE-CB 3.42Å; M913-C921 HydrophobicContact SD-CB 3.45Å; M913-C921 WeakPolarHBondContact SD-CB 3.27Å; C921-F931 PolarHBondContact N-O 3.21Å; C921-F931 PolarHBondContact O-N 3.47Å; C921-F931 PolarHBondContact SG-O 3.35Å
922	T	72.8	Confident	69.8	Low	83 Å²	83	51.2 Å²	51.2	51%	0.509	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.2	174.6	50.9	0	0	0	0	109.8
923	L	73.6	Confident	71.1	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.021	31%	0.305	C	S	.	.			trans	-93	122.8	-175.7	-84.5	165.7	0	0	0	110.7	F899 F905 I908 V909 H925 L926 F931	F899-L923 HydrophobicContact CD1-CD1 4.33Å; F899-L923 HydrophobicContact CE1-CD1 4.02Å; F905-L923 HydrophobicContact CB-CD1 3.89Å; F905-L923 HydrophobicContact CD1-CD1 4.18Å; F905-L923 HydrophobicContact CD1-CD2 4.29Å; F905-L923 HydrophobicContact CG-CD1 4.24Å; I908-L923 HydrophobicContact CB-CD2 4.31Å; I908-L923 HydrophobicContact CG2-CD2 3.47Å; I908-L923 VanDerWaalsContact CG2-CD2 3.47Å; V909-L923 HydrophobicContact CG2-CD1 4.29Å; V909-L923 HydrophobicContact CG2-CD2 3.73Å; V909-L923 HydrophobicContact CG2-CG 4.14Å; L923-H925 PolarHBondContact O-N 3.49Å; L923-L926 HydrophobicContact CB-CB 4.07Å; L923-L926 HydrophobicContact CB-CD1 4.14Å; L923-L926 HydrophobicContact CB-CG 4.36Å; L923-L926 HydrophobicContact CD1-CD1 3.91Å; L923-L926 CarbonylContact O-C 3.53Å; L923-L926 PolarHBondContact O-N 2.94Å; L923-F931 HydrophobicContact CB-CD2 4.46Å; L923-F931 HydrophobicContact CB-CE2 4.23Å; L923-F931 HydrophobicContact CD1-CD2 4.02Å; L923-F931 HydrophobicContact CD1-CE2 4.04Å; L923-F931 HydrophobicContact CG-CD2 4.33Å; L923-F931 HydrophobicContact CG-CE2 4.47Å
924	P	58.8	Low	72.1	Confident	46 Å²	46	51.3 Å²	51.3	30%	0.299	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.7	-168.4	-28.2	36	0	0	0	116.1	T927 P1075	P924-T927 WeakPolarHBondContact O-CG2 3.32Å; P924-P1075 HydrophobicContact CB-CG 4.44Å; P924-P1075 HydrophobicContact CG-CG 3.88Å
925	H	66.9	Low	72.8	Confident	76 Å²	76	51.1 Å²	51.1	35%	0.352	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-0.4	179.9	-58	96.7	0	0	0	113.5	M874 F905 L923	M874-H925 HydrophobicContact CE-CB 3.38Å; F905-H925 HydrophobicContact CE1-CB 4.42Å; L923-H925 PolarHBondContact O-N 3.49Å
926	L	70.9	Confident	73.3	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	33%	0.325	C	S	.	.	S	Bend	trans	-129.6	53.1	-177.3	-57.1	175.7	0	0	0	108.7	V888 W889 A892 F899 F905 L923 F931	V888-L926 HydrophobicContact CB-CD2 4.28Å; V888-L926 HydrophobicContact CG1-CD2 3.95Å; W889-L926 HydrophobicContact CB-CD2 3.9Å; W889-L926 HydrophobicContact CE3-CD1 4.25Å; W889-L926 HydrophobicContact CE3-CD2 4.33Å; A892-L926 HydrophobicContact CB-CD2 4.34Å; F899-L926 HydrophobicContact CE1-CD1 3.46Å; F899-L926 VanDerWaalsContact CE1-CD1 3.46Å; F899-L926 HydrophobicContact CZ-CD1 3.49Å; F899-L926 VanDerWaalsContact CZ-CD1 3.49Å; F905-L926 HydrophobicContact CD1-CD1 3.77Å; F905-L926 HydrophobicContact CD1-CG 4.35Å; F905-L926 HydrophobicContact CD2-CD1 4.02Å; F905-L926 HydrophobicContact CE1-CD1 3.68Å; F905-L926 HydrophobicContact CE1-CD2 4.26Å; F905-L926 HydrophobicContact CE1-CG 3.82Å; F905-L926 HydrophobicContact CE2-CD1 3.97Å; F905-L926 HydrophobicContact CE2-CD2 4.4Å; F905-L926 HydrophobicContact CG-CD1 3.95Å; F905-L926 HydrophobicContact CZ-CD1 3.79Å; F905-L926 HydrophobicContact CZ-CD2 3.88Å; F905-L926 HydrophobicContact CZ-CG 3.94Å; L923-L926 HydrophobicContact CB-CB 4.07Å; L923-L926 HydrophobicContact CB-CD1 4.14Å; L923-L926 HydrophobicContact CB-CG 4.36Å; L923-L926 HydrophobicContact CD1-CD1 3.91Å; L923-L926 CarbonylContact O-C 3.53Å; L923-L926 PolarHBondContact O-N 2.94Å; L926-F931 HydrophobicContact CD1-CZ 4.37Å
927	T	62.8	Low	73.9	Confident	120 Å²	120	53 Å²	53	74%	0.736	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	146.1	-168.9	51.3	0	0	0	0	113.1	P924 K929	P924-T927 WeakPolarHBondContact O-CG2 3.32Å; T927-K929 VanDerWaalsContact C-N 3.33Å
928	G	59.5	Low	74.4	Confident	79 Å²	79	51 Å²	51	81%	0.814	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	11.6	-178.1	0	0	0	0	0	114.1
929	K	81.8	Confident	75.5	Confident	47 Å²	47	51.1 Å²	51.1	20%	0.204	30%	0.297	C	S	.	.			trans	-128.1	128.4	174	-64.5	-59.8	176.8	70.7	0	111.1	W889 T927 F931 L942 E957	W889-K929 HydrophobicContact CD2-CG 4.42Å; W889-K929 VanDerWaalsContact CE2-NZ 3.28Å; T927-K929 VanDerWaalsContact C-N 3.33Å; K929-F931 HydrophobicContact CB-CE2 3.71Å; K929-F931 HydrophobicContact CB-CZ 3.76Å; K929-F931 WeakPolarHBondContact O-CE2 3.44Å; K929-L942 HydrophobicContact CB-CD1 3.76Å; K929-L942 HydrophobicContact CD-CD1 3.9Å; K929-L942 HydrophobicContact CG-CD1 4.16Å; K929-E957 IonicContact NZ-OE1 3.8Å; K929-E957 PolarHBondContact NZ-OE1 2.76Å
930	T	82.4	Confident	76.2	Confident	39 Å²	39	46.4 Å²	46.4	24%	0.239	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	141.2	172.7	-51.1	0	0	0	0	108.4	H920 L942 C943	H920-T930 HydrophobicContact CB-CG2 4.04Å; T930-L942 WeakPolarHBondContact O-CD1 3.41Å; T930-C943 HydrophobicContact CG2-CB 4.03Å; T930-C943 PolarHBondContact O-N 2.77Å
931	F	86.9	Confident	76.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	166.3	176.4	-57.8	-89.7	0	0	0	109.1	W889 F899 H920 C921 L923 L926 K929 E941 L942 V952	W889-F931 HydrophobicContact CE3-CZ 4.09Å; W889-F931 AromaticContact CH2-CE1 3.97Å; W889-F931 HydrophobicContact CH2-CE1 3.97Å; W889-F931 HydrophobicContact CH2-CZ 4.14Å; W889-F931 AromaticContact CZ3-CE1 3.63Å; W889-F931 HydrophobicContact CZ3-CE1 3.63Å; W889-F931 AromaticContact CZ3-CZ 3.51Å; W889-F931 HydrophobicContact CZ3-CZ 3.51Å; F899-F931 HydrophobicContact CD1-CE1 4.4Å; F899-F931 HydrophobicContact CE1-CE1 4.01Å; F899-F931 HydrophobicContact CE1-CZ 4.18Å; H920-F931 CarbonylContact C-O 3.5Å; H920-F931 VanDerWaalsContact CA-O 3.24Å; H920-F931 WeakPolarHBondContact CA-O 3.23Å; C921-F931 PolarHBondContact N-O 3.21Å; C921-F931 PolarHBondContact O-N 3.47Å; C921-F931 PolarHBondContact SG-O 3.35Å; L923-F931 HydrophobicContact CB-CD2 4.46Å; L923-F931 HydrophobicContact CB-CE2 4.23Å; L923-F931 HydrophobicContact CD1-CD2 4.02Å; L923-F931 HydrophobicContact CD1-CE2 4.04Å; L923-F931 HydrophobicContact CG-CD2 4.33Å; L923-F931 HydrophobicContact CG-CE2 4.47Å; L926-F931 HydrophobicContact CD1-CZ 4.37Å; K929-F931 HydrophobicContact CB-CE2 3.71Å; K929-F931 HydrophobicContact CB-CZ 3.76Å; K929-F931 WeakPolarHBondContact O-CE2 3.44Å; F931-E941 CarbonylContact C-O 3.58Å; F931-E941 WeakPolarHBondContact CA-O 3.3Å; F931-E941 WeakPolarHBondContact CB-O 3.45Å; F931-L942 HydrophobicContact CD1-CB 4.35Å; F931-L942 HydrophobicContact CD1-CD1 4.02Å; F931-L942 HydrophobicContact CE1-CB 4.39Å; F931-L942 HydrophobicContact CE1-CD1 3.63Å; F931-L942 HydrophobicContact CZ-CD1 3.93Å; F931-V952 HydrophobicContact CD1-CG2 3.92Å; F931-V952 HydrophobicContact CE1-CG2 3.79Å
932	V	85.7	Confident	77.8	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152.7	173.3	71.1	0	0	0	0	108.6	L940 E941 H949	V932-L940 WeakPolarHBondContact O-CA 3.46Å; V932-E941 HydrophobicContact CG1-CB 4.03Å; V932-E941 PolarHBondContact N-O 3.31Å; V932-E941 PolarHBondContact O-N 2.99Å; V932-H949 HydrophobicContact CG1-CB 3.82Å
933	Y	83.9	Confident	78.4	Confident	5 Å²	5	38.8 Å²	38.8	2%	0.02	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.3	172.7	174.4	-87.1	0	0	0	110.3	H848 S849 L915 M916 G918 K919 A935 L940	H848-Y933 AromaticContact CD2-CD2 3.7Å; H848-Y933 AromaticContact CD2-CE2 2.96Å; H848-Y933 WeakPolarHBondContact CD2-CE2 3.28Å; H848-Y933 AromaticContact CD2-CZ 3.12Å; H848-Y933 PolarHBondContact CD2-OH 2.93Å; H848-Y933 AromaticContact CE1-CD2 3.65Å; H848-Y933 AromaticContact CE1-CE2 3.27Å; H848-Y933 WeakPolarHBondContact CE1-CE2 3.43Å; H848-Y933 AromaticContact CG-CE2 3.53Å; H848-Y933 AromaticContact CG-CZ 3.74Å; H848-Y933 AromaticContact ND1-CE2 3.61Å; H848-Y933 AromaticContact NE2-CD2 3.12Å; H848-Y933 WeakPolarHBondContact NE2-CD2 3.26Å; H848-Y933 AromaticContact NE2-CE2 2.85Å; H848-Y933 WeakPolarHBondContact NE2-CE2 3.28Å; H848-Y933 AromaticContact NE2-CZ 3.55Å; S849-Y933 PolarHBondContact OG-OH 2.81Å; L915-Y933 HydrophobicContact CB-CD2 3.91Å; L915-Y933 HydrophobicContact CB-CE1 4.22Å; L915-Y933 HydrophobicContact CB-CE2 3.24Å; L915-Y933 VanDerWaalsContact CB-CZ 3.46Å; L915-Y933 HydrophobicContact CD1-CE2 3.62Å; L915-Y933 HydrophobicContact CD2-CD2 3.47Å; L915-Y933 VanDerWaalsContact CD2-CD2 3.47Å; L915-Y933 HydrophobicContact CD2-CE2 3.36Å; L915-Y933 HydrophobicContact CG-CD2 4.08Å; L915-Y933 HydrophobicContact CG-CE2 3.48Å; L915-Y933 VanDerWaalsContact CG-CE2 3.48Å; M916-Y933 WeakPolarHBondContact O-CB 3.37Å; M916-Y933 VanDerWaalsContact O-CD1 3.31Å; M916-Y933 WeakPolarHBondContact O-CD1 3.41Å; G918-Y933 PolarHBondContact N-O 2.77Å; K919-Y933 PolarHBondContact O-N 3.09Å; Y933-A935 HydrophobicContact CD1-CB 4.2Å; Y933-A935 VanDerWaalsContact CE1-CA 3.49Å; Y933-A935 HydrophobicContact CE1-CB 3.52Å; Y933-L940 HydrophobicContact CD2-CD2 4.2Å
934	N	83.6	Confident	78.8	Confident	38 Å²	38	40.6 Å²	40.6	20%	0.203	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	107.6	178.2	-178.2	-31.5	0	0	0	109.2	H848 A936 E937 E938 R939 E941	H848-N934 PolarHBondContact CD2-O 2.86Å; H848-N934 VanDerWaalsContact CD2-O 3.23Å; N934-A936 PolarHBondContact O-N 2.73Å; N934-A936 PolarHBondContact OD1-N 2.82Å; N934-E937 PolarHBondContact OD1-N 2.91Å; N934-E938 CarbonylContact O-C 3.51Å; N934-E938 WeakPolarHBondContact O-CA 3.25Å; N934-E938 PolarHBondContact O-N 3.07Å; N934-R939 WeakPolarHBondContact CB-O 3.45Å; N934-R939 PolarHBondContact N-O 3.03Å; N934-R939 PolarHBondContact O-N 2.94Å; N934-E941 HydrophobicContact CB-CG 4.39Å; N934-E941 WeakPolarHBondContact CB-OE2 3.47Å; N934-E941 PolarHBondContact ND2-OE2 3.36Å
935	A	76.1	Confident	79.4	Confident	25 Å²	25	45.1 Å²	45.1	21%	0.207	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-14.1	-167.5	0	0	0	0	0	115.6	S849 D917 Y933	S849-A935 WeakPolarHBondContact CB-O 3.45Å; S849-A935 PolarHBondContact OG-O 2.82Å; D917-A935 HydrophobicContact CB-CB 3.56Å; D917-A935 WeakPolarHBondContact OD1-CB 3.4Å; D917-A935 PolarHBondContact OD1-N 2.8Å; Y933-A935 HydrophobicContact CD1-CB 4.2Å; Y933-A935 VanDerWaalsContact CE1-CA 3.49Å; Y933-A935 HydrophobicContact CE1-CB 3.52Å
936	A	81.4	Confident	79.3	Confident	85 Å²	85	45.7 Å²	45.7	70%	0.702	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-39.6	-171.6	0	0	0	0	0	113	N934 E938	N934-A936 PolarHBondContact O-N 2.73Å; N934-A936 PolarHBondContact OD1-N 2.82Å; A936-E938 VanDerWaalsContact C-N 3.27Å
937	E	76.7	Confident	79.3	Confident	110 Å²	110	46.4 Å²	46.4	51%	0.514	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-3.4	165.5	-95.3	-70.5	114.3	0	0	112.1	L847 N934 R939	L847-E937 WeakPolarHBondContact CD1-O 3.41Å; N934-E937 PolarHBondContact OD1-N 2.91Å; E937-R939 PolarHBondContact O-N 3.06Å; E937-R939 PolarHBondContact O-NH1 3.42Å; E937-R939 IonicContact OE2-CZ 3.1Å; E937-R939 IonicContact OE2-NH1 2.65Å; E937-R939 PolarHBondContact OE2-NH1 3.44Å; E937-R939 IonicContact OE2-NH2 2.73Å; E937-R939 PolarHBondContact OE2-NH2 3.42Å
938	E	80.9	Confident	80.1	Confident	63 Å²	63	41.9 Å²	41.9	29%	0.294	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	28.3	155.7	-65.2	-147.9	157.1	0	0	116.6	L847 H848 S849 N934 A936	L847-E938 HydrophobicContact CB-CB 3.52Å; L847-E938 WeakPolarHBondContact CB-O 3.33Å; L847-E938 VanDerWaalsContact CD2-O 3.32Å; L847-E938 WeakPolarHBondContact CD2-O 3.18Å; H848-E938 VanDerWaalsContact C-CD 3.44Å; H848-E938 WeakPolarHBondContact CA-OE2 3.15Å; H848-E938 HydrophobicContact CB-CB 3.6Å; H848-E938 HydrophobicContact CB-CG 3.93Å; H848-E938 WeakPolarHBondContact CB-O 3.31Å; H848-E938 WeakPolarHBondContact CD2-CA 3.28Å; H848-E938 PolarHBondContact CD2-O 3.36Å; H848-E938 PolarHBondContact CE1-O 3.48Å; H848-E938 VanDerWaalsContact CE1-O 3.26Å; H848-E938 PolarHBondContact N-O 2.95Å; H848-E938 PolarHBondContact N-OE2 2.92Å; H848-E938 PolarHBondContact ND1-O 3.02Å; H848-E938 VanDerWaalsContact ND1-O 3.1Å; H848-E938 PolarHBondContact NE2-O 2.71Å; S849-E938 WeakPolarHBondContact CB-OE1 3.23Å; S849-E938 PolarHBondContact N-OE1 2.79Å; N934-E938 CarbonylContact O-C 3.51Å; N934-E938 WeakPolarHBondContact O-CA 3.25Å; N934-E938 PolarHBondContact O-N 3.07Å; A936-E938 VanDerWaalsContact C-N 3.27Å
939	R	87.3	Confident	81.5	Confident	46 Å²	46	42.2 Å²	42.2	17%	0.174	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	167.6	178.5	53.8	178.4	164.3	-82.9	-3.9	115.9	L847 H848 N934 E937 E941	L847-R939 HydrophobicContact CD1-CB 4.07Å; L847-R939 HydrophobicContact CD1-CG 4.43Å; L847-R939 HydrophobicContact CD2-CB 3.75Å; H848-R939 PolarHBondContact CD2-N 3.03Å; H848-R939 VanDerWaalsContact CD2-N 3.3Å; H848-R939 WeakPolarHBondContact NE2-CA 3.41Å; H848-R939 PolarHBondContact NE2-N 2.79Å; H848-R939 VanDerWaalsContact NE2-N 3.11Å; H848-R939 PolarHBondContact NE2-O 2.58Å; N934-R939 WeakPolarHBondContact CB-O 3.45Å; N934-R939 PolarHBondContact N-O 3.03Å; N934-R939 PolarHBondContact O-N 2.94Å; E937-R939 PolarHBondContact O-N 3.06Å; E937-R939 PolarHBondContact O-NH1 3.42Å; E937-R939 IonicContact OE2-CZ 3.1Å; E937-R939 IonicContact OE2-NH1 2.65Å; E937-R939 PolarHBondContact OE2-NH1 3.44Å; E937-R939 IonicContact OE2-NH2 2.73Å; E937-R939 PolarHBondContact OE2-NH2 3.42Å; R939-E941 HydrophobicContact CG-CG 3.73Å; R939-E941 IonicContact CZ-OE1 3.9Å; R939-E941 IonicContact NE-OE1 3.19Å; R939-E941 PolarHBondContact NE-OE1 3.4Å; R939-E941 IonicContact NH2-OE1 3.5Å; R939-E941 PolarHBondContact NH2-OE1 2.87Å
940	L	85.1	Confident	81.8	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	136.9	157.5	-59.1	177.1	0	0	0	110.8	F899 V909 V932 Y933	F899-L940 HydrophobicContact CB-CB 4.42Å; V909-L940 HydrophobicContact CB-CD1 3.95Å; V909-L940 HydrophobicContact CB-CD2 4.09Å; V909-L940 HydrophobicContact CG1-CD2 3.87Å; V909-L940 HydrophobicContact CG2-CD1 3.56Å; V909-L940 HydrophobicContact CG2-CD2 4.21Å; V932-L940 WeakPolarHBondContact O-CA 3.46Å; Y933-L940 HydrophobicContact CD2-CD2 4.2Å
941	E	87.3	Confident	82	Confident	16 Å²	16	42.4 Å²	42.4	8%	0.075	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.2	-179.3	-55.6	-167.3	117.8	0	0	109.5	F931 V932 N934 R939 F950	F931-E941 CarbonylContact C-O 3.58Å; F931-E941 WeakPolarHBondContact CA-O 3.3Å; F931-E941 WeakPolarHBondContact CB-O 3.45Å; V932-E941 HydrophobicContact CG1-CB 4.03Å; V932-E941 PolarHBondContact N-O 3.31Å; V932-E941 PolarHBondContact O-N 2.99Å; N934-E941 HydrophobicContact CB-CG 4.39Å; N934-E941 WeakPolarHBondContact CB-OE2 3.47Å; N934-E941 PolarHBondContact ND2-OE2 3.36Å; R939-E941 HydrophobicContact CG-CG 3.73Å; R939-E941 IonicContact CZ-OE1 3.9Å; R939-E941 IonicContact NE-OE1 3.19Å; R939-E941 PolarHBondContact NE-OE1 3.4Å; R939-E941 IonicContact NH2-OE1 3.5Å; R939-E941 PolarHBondContact NH2-OE1 2.87Å; E941-F950 CarbonylContact C-O 3.57Å; E941-F950 WeakPolarHBondContact CA-O 3.43Å; E941-F950 WeakPolarHBondContact CB-O 3.46Å
942	L	90	Very high	82	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.9	175.4	-175	75.9	0	0	0	110.1	W889 K929 T930 F931 V944 H949 F950 V952 V956 V960	W889-L942 HydrophobicContact CH2-CD1 4.29Å; K929-L942 HydrophobicContact CB-CD1 3.76Å; K929-L942 HydrophobicContact CD-CD1 3.9Å; K929-L942 HydrophobicContact CG-CD1 4.16Å; T930-L942 WeakPolarHBondContact O-CD1 3.41Å; F931-L942 HydrophobicContact CD1-CB 4.35Å; F931-L942 HydrophobicContact CD1-CD1 4.02Å; F931-L942 HydrophobicContact CE1-CB 4.39Å; F931-L942 HydrophobicContact CE1-CD1 3.63Å; F931-L942 HydrophobicContact CZ-CD1 3.93Å; L942-V944 HydrophobicContact CD2-CG2 4.24Å; L942-V944 HydrophobicContact CG-CG2 4.36Å; L942-H949 CarbonylContact O-C 3.57Å; L942-H949 WeakPolarHBondContact O-CA 3.45Å; L942-F950 PolarHBondContact N-O 2.95Å; L942-F950 PolarHBondContact O-N 3.33Å; L942-V952 HydrophobicContact CB-CG2 4.34Å; L942-V956 HydrophobicContact CB-CG2 4.07Å; L942-V956 HydrophobicContact CD2-CG1 4.3Å; L942-V956 HydrophobicContact CD2-CG2 3.93Å; L942-V960 HydrophobicContact CD2-CG2 4.19Å
943	C	83.8	Confident	81.8	Confident	4 Å²	4	43.5 Å²	43.5	3%	0.027	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	138.4	171.6	171.8	0	0	0	0	110.7	H920 T930 G948	H920-C943 PolarHBondContact CE1-SG 3.01Å; H920-C943 PolarHBondContact ND1-SG 3.45Å; T930-C943 HydrophobicContact CG2-CB 4.03Å; T930-C943 PolarHBondContact O-N 2.77Å; C943-G948 WeakPolarHBondContact CA-O 3.38Å
944	V	82.3	Confident	81.6	Confident	43 Å²	43	46.5 Å²	46.5	26%	0.261	28%	0.283	S	S	.	.			trans	-131.2	76.3	170.9	-174.9	0	0	0	0	109.8	L942 A946 A947 G948 V960 V964	L942-V944 HydrophobicContact CD2-CG2 4.24Å; L942-V944 HydrophobicContact CG-CG2 4.36Å; V944-A946 PolarHBondContact O-N 3.34Å; V944-A947 PolarHBondContact O-N 2.99Å; V944-G948 PolarHBondContact N-O 3.2Å; V944-V960 HydrophobicContact CB-CG1 4.16Å; V944-V960 HydrophobicContact CB-CG2 4.49Å; V944-V960 HydrophobicContact CG1-CG1 4.01Å; V944-V960 HydrophobicContact CG2-CB 4.39Å; V944-V960 HydrophobicContact CG2-CG1 3.73Å; V944-V960 HydrophobicContact CG2-CG2 3.68Å; V944-V964 HydrophobicContact CG1-CG2 4.41Å
945	D	71.9	Confident	81.4	Confident	141 Å²	141	50 Å²	50	75%	0.754	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	33.2	-94.3	172.1	-56.4	-14.7	0	0	0	115.4	A947	D945-A947 PolarHBondContact O-N 3.47Å
946	A	64.4	Low	81.7	Confident	88 Å²	88	49 Å²	49	73%	0.727	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-75.6	-18.8	-176.5	0	0	0	0	0	114.5	V944 L967	V944-A946 PolarHBondContact O-N 3.34Å; A946-L967 WeakPolarHBondContact O-CD1 3.36Å
947	A	72	Confident	81.7	Confident	16 Å²	16	48.4 Å²	48.4	13%	0.132	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-100.9	-0.7	-171.9	0	0	0	0	0	115.1	V944 D945 F950 A963 V964 L967	V944-A947 PolarHBondContact O-N 2.99Å; D945-A947 PolarHBondContact O-N 3.47Å; A947-F950 HydrophobicContact CB-CE2 4.46Å; A947-F950 WeakPolarHBondContact O-CE2 3.47Å; A947-F950 VanDerWaalsContact O-CZ 3.24Å; A947-F950 WeakPolarHBondContact O-CZ 3.35Å; A947-A963 HydrophobicContact CB-CB 4.16Å; A947-V964 HydrophobicContact CB-CG2 3.59Å; A947-L967 VanDerWaalsContact CA-CD1 3.49Å; A947-L967 HydrophobicContact CB-CD1 3.87Å
948	G	79.3	Confident	82.1	Confident	26 Å²	26	48.1 Å²	48.1	27%	0.268	27%	0.274	S	S	.	.			trans	86.9	-148.5	175	0	0	0	0	0	114.6	C943 V944	C943-G948 WeakPolarHBondContact CA-O 3.38Å; V944-G948 PolarHBondContact N-O 3.2Å
949	H	87.8	Confident	82	Confident	85 Å²	85	49.1 Å²	49.1	39%	0.394	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.9	-160.1	-52.6	149.4	0	0	0	111.9	H920 V932 L942	H920-H949 AromaticContact CE1-CE1 3.87Å; H920-H949 AromaticContact CE1-NE2 3.1Å; H920-H949 PolarHBondContact CE1-NE2 3.09Å; H920-H949 AromaticContact NE2-CE1 3.88Å; H920-H949 AromaticContact NE2-NE2 3.56Å; V932-H949 HydrophobicContact CG1-CB 3.82Å; L942-H949 CarbonylContact O-C 3.57Å; L942-H949 WeakPolarHBondContact O-CA 3.45Å
950	F	88.4	Confident	81.8	Confident	29 Å²	29	48 Å²	48	13%	0.127	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	130.3	-168.9	-56.8	-91.4	0	0	0	111.7	E941 L942 A947 V956 L959 V960 A963	E941-F950 CarbonylContact C-O 3.57Å; E941-F950 WeakPolarHBondContact CA-O 3.43Å; E941-F950 WeakPolarHBondContact CB-O 3.46Å; L942-F950 PolarHBondContact N-O 2.95Å; L942-F950 PolarHBondContact O-N 3.33Å; A947-F950 HydrophobicContact CB-CE2 4.46Å; A947-F950 WeakPolarHBondContact O-CE2 3.47Å; A947-F950 VanDerWaalsContact O-CZ 3.24Å; A947-F950 WeakPolarHBondContact O-CZ 3.35Å; F950-V956 HydrophobicContact CB-CG2 3.88Å; F950-L959 HydrophobicContact CD1-CB 4.03Å; F950-L959 HydrophobicContact CE1-CB 4.44Å; F950-V960 HydrophobicContact CB-CG2 4.41Å; F950-V960 HydrophobicContact CD2-CG2 3.55Å; F950-V960 HydrophobicContact CE2-CG2 3.9Å; F950-V960 HydrophobicContact CG-CG2 3.9Å; F950-A963 HydrophobicContact CE1-CB 4.08Å; F950-A963 HydrophobicContact CZ-CB 3.6Å
951	P	87.1	Confident	81.6	Confident	62 Å²	62	53.8 Å²	53.8	40%	0.403	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	140.4	-179	24.7	-34.5	0	0	0	112.6	G953 V956	P951-G953 PolarHBondContact O-N 3.22Å; P951-V956 VanDerWaalsContact O-CG2 3.28Å; P951-V956 WeakPolarHBondContact O-CG2 3.48Å
952	V	86.4	Confident	81.3	Confident	14 Å²	14	58.4 Å²	58.4	9%	0.085	32%	0.323	C	S	.	.			trans	-75.2	119.5	-176.3	-177.8	0	0	0	0	111.3	W889 F899 F931 L942	W889-V952 HydrophobicContact CH2-CG1 3.79Å; W889-V952 HydrophobicContact CZ3-CG1 3.93Å; F899-V952 HydrophobicContact CB-CB 4.42Å; F899-V952 HydrophobicContact CD1-CG1 4.34Å; F899-V952 HydrophobicContact CD1-CG2 4.31Å; F899-V952 HydrophobicContact CD2-CB 4.25Å; F899-V952 HydrophobicContact CD2-CG1 3.65Å; F899-V952 HydrophobicContact CE1-CG1 4.38Å; F899-V952 HydrophobicContact CE2-CG1 3.72Å; F899-V952 HydrophobicContact CG-CB 4.18Å; F899-V952 HydrophobicContact CG-CG1 3.98Å; F899-V952 HydrophobicContact CG-CG2 4.35Å; F899-V952 HydrophobicContact CZ-CG1 4.09Å; F931-V952 HydrophobicContact CD1-CG2 3.92Å; F931-V952 HydrophobicContact CE1-CG2 3.79Å; L942-V952 HydrophobicContact CB-CG2 4.34Å
953	G	82.1	Confident	80.6	Confident	12 Å²	12	59.2 Å²	59.2	12%	0.124	33%	0.329	C	S	.	.	S	Bend	trans	-161.5	-176.9	174.8	0	0	0	0	0	112.1	K893 P951 D955 V956	K893-G953 CarbonylContact O-C 3.55Å; K893-G953 WeakPolarHBondContact O-CA 3.14Å; P951-G953 PolarHBondContact O-N 3.22Å; G953-D955 PolarHBondContact O-N 3.34Å; G953-V956 VanDerWaalsContact O-CG1 3.27Å; G953-V956 WeakPolarHBondContact O-CG1 3.45Å; G953-V956 PolarHBondContact O-N 2.91Å
954	P	79.4	Confident	80.2	Confident	68 Å²	68	61 Å²	61	44%	0.442	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-35.1	-176.9	21.6	-31.7	0	0	0	112.8
955	D	79.9	Confident	80	Confident	112 Å²	112	64.2 Å²	64.2	60%	0.599	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	4.2	-170.8	-40.4	-54.4	0	0	0	113.3	G953 E957 E958	G953-D955 PolarHBondContact O-N 3.34Å; D955-E957 PolarHBondContact O-N 3.45Å; D955-E958 WeakPolarHBondContact O-CB 3.44Å; D955-E958 PolarHBondContact O-N 3.02Å
956	V	83.2	Confident	80	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.012	35%	0.346	C	S	.	.	H	α-helix	trans	-59.2	-26.3	-173.2	71.9	0	0	0	0	113.6	W889 L942 F950 P951 G953 V960	W889-V956 HydrophobicContact CH2-CG1 4.24Å; W889-V956 HydrophobicContact CZ2-CG1 3.87Å; L942-V956 HydrophobicContact CB-CG2 4.07Å; L942-V956 HydrophobicContact CD2-CG1 4.3Å; L942-V956 HydrophobicContact CD2-CG2 3.93Å; F950-V956 HydrophobicContact CB-CG2 3.88Å; P951-V956 VanDerWaalsContact O-CG2 3.28Å; P951-V956 WeakPolarHBondContact O-CG2 3.48Å; G953-V956 VanDerWaalsContact O-CG1 3.27Å; G953-V956 WeakPolarHBondContact O-CG1 3.45Å; G953-V956 PolarHBondContact O-N 2.91Å; V956-V960 WeakPolarHBondContact O-CB 3.32Å; V956-V960 VanDerWaalsContact O-CG2 3.29Å; V956-V960 WeakPolarHBondContact O-CG2 3.45Å; V956-V960 PolarHBondContact O-N 3.18Å
957	E	81.3	Confident	80	Confident	74 Å²	74	62.3 Å²	62.3	35%	0.346	33%	0.328	S	S	.	.	H	α-helix	trans	-82.8	-10.7	179.5	-66.4	171.7	159.5	0	0	113.5	W889 K893 K929 D955	W889-E957 PolarHBondContact NE1-OE1 3.4Å; K893-E957 IonicContact NZ-OE1 3.86Å; K893-E957 IonicContact NZ-OE2 3.91Å; K893-E957 PolarHBondContact NZ-OE2 3.21Å; K929-E957 IonicContact NZ-OE1 3.8Å; K929-E957 PolarHBondContact NZ-OE1 2.76Å; D955-E957 PolarHBondContact O-N 3.45Å
958	E	83.3	Confident	79.6	Confident	104 Å²	104	70.1 Å²	70.1	49%	0.486	36%	0.355	S	S	.	.	H	α-helix	trans	-80.5	-52.1	168.6	-176.6	103.6	-123.6	0	0	110.1	D955 V960 R961 E962	D955-E958 WeakPolarHBondContact O-CB 3.44Å; D955-E958 PolarHBondContact O-N 3.02Å; E958-V960 PolarHBondContact O-N 2.96Å; E958-R961 WeakPolarHBondContact O-CB 3.43Å; E958-R961 PolarHBondContact O-N 2.72Å; E958-R961 IonicContact OE1-CZ 3.51Å; E958-R961 IonicContact OE1-NH1 2.7Å; E958-R961 PolarHBondContact OE1-NH1 2.81Å; E958-R961 IonicContact OE1-NH2 2.79Å; E958-R961 PolarHBondContact OE1-NH2 3.45Å; E958-R961 IonicContact OE2-NH2 3.47Å; E958-R961 PolarHBondContact OE2-NH2 2.88Å; E958-E962 PolarHBondContact O-N 2.9Å; E958-E962 VanDerWaalsContact O-N 3.11Å
959	L	80.5	Confident	78.9	Confident	84 Å²	84	72.9 Å²	72.9	44%	0.44	37%	0.37	S	S	.	.	H	α-helix	trans	-59.9	-44.4	-178.1	-62.5	171.8	0	0	0	112.3	F950 R961 E962 A963	F950-L959 HydrophobicContact CD1-CB 4.03Å; F950-L959 HydrophobicContact CE1-CB 4.44Å; L959-R961 VanDerWaalsContact C-N 3.29Å; L959-R961 PolarHBondContact O-N 2.94Å; L959-E962 PolarHBondContact O-N 3.1Å; L959-A963 PolarHBondContact O-N 2.96Å
960	V	81.4	Confident	77.4	Confident	21 Å²	21	75.2 Å²	75.2	13%	0.127	38%	0.381	C	S	.	.	H	α-helix	trans	-56.3	-43.2	172.9	159.9	0	0	0	0	111.8	L942 V944 F950 V956 E958 V964	L942-V960 HydrophobicContact CD2-CG2 4.19Å; V944-V960 HydrophobicContact CB-CG1 4.16Å; V944-V960 HydrophobicContact CB-CG2 4.49Å; V944-V960 HydrophobicContact CG1-CG1 4.01Å; V944-V960 HydrophobicContact CG2-CB 4.39Å; V944-V960 HydrophobicContact CG2-CG1 3.73Å; V944-V960 HydrophobicContact CG2-CG2 3.68Å; F950-V960 HydrophobicContact CB-CG2 4.41Å; F950-V960 HydrophobicContact CD2-CG2 3.55Å; F950-V960 HydrophobicContact CE2-CG2 3.9Å; F950-V960 HydrophobicContact CG-CG2 3.9Å; V956-V960 WeakPolarHBondContact O-CB 3.32Å; V956-V960 VanDerWaalsContact O-CG2 3.29Å; V956-V960 WeakPolarHBondContact O-CG2 3.45Å; V956-V960 PolarHBondContact O-N 3.18Å; E958-V960 PolarHBondContact O-N 2.96Å; V960-V964 HydrophobicContact CG1-CG2 4.49Å; V960-V964 VanDerWaalsContact O-CG2 3.28Å; V960-V964 WeakPolarHBondContact O-CG2 3.33Å; V960-V964 PolarHBondContact O-N 3.26Å; V960-V964 VanDerWaalsContact O-N 3.07Å
961	R	81.8	Confident	75.6	Confident	125 Å²	125	77.7 Å²	77.7	47%	0.472	41%	0.406	S	S	.	.	H	α-helix	trans	-67.2	-37.8	-177	158.6	170.9	47.4	80.6	-12.2	111.5	E958 L959 L965	E958-R961 WeakPolarHBondContact O-CB 3.43Å; E958-R961 PolarHBondContact O-N 2.72Å; E958-R961 IonicContact OE1-CZ 3.51Å; E958-R961 IonicContact OE1-NH1 2.7Å; E958-R961 PolarHBondContact OE1-NH1 2.81Å; E958-R961 IonicContact OE1-NH2 2.79Å; E958-R961 PolarHBondContact OE1-NH2 3.45Å; E958-R961 IonicContact OE2-NH2 3.47Å; E958-R961 PolarHBondContact OE2-NH2 2.88Å; L959-R961 VanDerWaalsContact C-N 3.29Å; L959-R961 PolarHBondContact O-N 2.94Å; R961-L965 HydrophobicContact CG-CD1 4.32Å; R961-L965 WeakPolarHBondContact O-CD1 3.49Å; R961-L965 VanDerWaalsContact O-CG 3.31Å; R961-L965 WeakPolarHBondContact O-CG 3.43Å; R961-L965 PolarHBondContact O-N 3.02Å
962	E	81.1	Confident	73.8	Confident	114 Å²	114	79 Å²	79	53%	0.533	42%	0.422	S	S	.	.	H	α-helix	trans	-67.3	-45.6	177.2	-168.9	168.2	-167.5	0	0	111.9	E958 L959 V964 L965 Q966	E958-E962 PolarHBondContact O-N 2.9Å; E958-E962 VanDerWaalsContact O-N 3.11Å; L959-E962 PolarHBondContact O-N 3.1Å; E962-V964 PolarHBondContact O-N 2.85Å; E962-L965 WeakPolarHBondContact O-CB 3.27Å; E962-L965 PolarHBondContact O-N 2.91Å; E962-Q966 PolarHBondContact O-N 2.97Å
963	A	75.7	Confident	72	Confident	19 Å²	19	82.5 Å²	82.5	16%	0.157	45%	0.447	C	S	.	.	H	α-helix	trans	-63	-41.9	177.3	0	0	0	0	0	113.2	A947 F950 L959 L965 Q966 L967	A947-A963 HydrophobicContact CB-CB 4.16Å; F950-A963 HydrophobicContact CE1-CB 4.08Å; F950-A963 HydrophobicContact CZ-CB 3.6Å; L959-A963 PolarHBondContact O-N 2.96Å; A963-L965 PolarHBondContact O-N 2.76Å; A963-Q966 PolarHBondContact O-N 2.86Å; A963-L967 PolarHBondContact O-N 3.39Å
964	V	74.9	Confident	70.1	Confident	43 Å²	43	93 Å²	93	26%	0.261	48%	0.483	S	S	.	.	H	α-helix	trans	-64.2	-28.4	176.6	171.1	0	0	0	0	112.2	V944 A947 V960 E962 R968	V944-V964 HydrophobicContact CG1-CG2 4.41Å; A947-V964 HydrophobicContact CB-CG2 3.59Å; V960-V964 HydrophobicContact CG1-CG2 4.49Å; V960-V964 VanDerWaalsContact O-CG2 3.28Å; V960-V964 WeakPolarHBondContact O-CG2 3.33Å; V960-V964 PolarHBondContact O-N 3.26Å; V960-V964 VanDerWaalsContact O-N 3.07Å; E962-V964 PolarHBondContact O-N 2.85Å; V964-R968 WeakPolarHBondContact O-CG 3.37Å; V964-R968 PolarHBondContact O-N 2.89Å
965	L	77.8	Confident	67.8	Low	109 Å²	109	93.2 Å²	93.2	57%	0.571	50%	0.498	S	S	*	.	H	α-helix	trans	-71.3	-42.9	174.9	-73.8	165.9	0	0	0	111.8	R961 E962 A963 L967 R968 S969	R961-L965 HydrophobicContact CG-CD1 4.32Å; R961-L965 WeakPolarHBondContact O-CD1 3.49Å; R961-L965 VanDerWaalsContact O-CG 3.31Å; R961-L965 WeakPolarHBondContact O-CG 3.43Å; R961-L965 PolarHBondContact O-N 3.02Å; E962-L965 WeakPolarHBondContact O-CB 3.27Å; E962-L965 PolarHBondContact O-N 2.91Å; A963-L965 PolarHBondContact O-N 2.76Å; L965-L967 PolarHBondContact O-N 2.75Å; L965-R968 PolarHBondContact O-N 3.14Å; L965-S969 PolarHBondContact O-N 3.44Å; L965-S969 PolarHBondContact O-OG 3.17Å
966	Q	71.5	Confident	65.5	Low	122 Å²	122	93.5 Å²	93.5	57%	0.57	51%	0.509	S	S	*	.	H	α-helix	trans	-60.8	-45.7	177.6	-69	-177.9	-6.9	0	0	112.1	E962 A963 R968 S969 E970	E962-Q966 PolarHBondContact O-N 2.97Å; A963-Q966 PolarHBondContact O-N 2.86Å; Q966-R968 VanDerWaalsContact C-N 3.27Å; Q966-R968 PolarHBondContact O-N 3Å; Q966-S969 WeakPolarHBondContact CA-OG 3.42Å; Q966-S969 PolarHBondContact O-N 3.05Å; Q966-S969 VanDerWaalsContact O-N 3.12Å; Q966-S969 PolarHBondContact O-OG 3.21Å; Q966-E970 PolarHBondContact O-N 2.79Å; Q966-E970 VanDerWaalsContact O-N 3.17Å
967	L	64.9	Low	63.2	Low	67 Å²	67	102.9 Å²	102.9	35%	0.351	54%	0.544	S	S	.	.	H	α-helix	trans	-64.3	-28.9	177.4	-81	152.9	0	0	0	113.7	A946 A947 A963 L965 E970 A971	A946-L967 WeakPolarHBondContact O-CD1 3.36Å; A947-L967 VanDerWaalsContact CA-CD1 3.49Å; A947-L967 HydrophobicContact CB-CD1 3.87Å; A963-L967 PolarHBondContact O-N 3.39Å; L965-L967 PolarHBondContact O-N 2.75Å; L967-E970 PolarHBondContact O-N 2.99Å; L967-A971 VanDerWaalsContact O-CB 3.3Å; L967-A971 WeakPolarHBondContact O-CB 3.42Å; L967-A971 PolarHBondContact O-N 3.17Å
968	R	63.3	Low	60.8	Low	181 Å²	181	106.8 Å²	106.8	68%	0.683	56%	0.563	S	S	*	*	H	α-helix	trans	-71.6	-33.6	173.6	-78.3	178.1	173	-174.7	-1.4	112.7	V964 L965 Q966 A972	V964-R968 WeakPolarHBondContact O-CG 3.37Å; V964-R968 PolarHBondContact O-N 2.89Å; L965-R968 PolarHBondContact O-N 3.14Å; Q966-R968 VanDerWaalsContact C-N 3.27Å; Q966-R968 PolarHBondContact O-N 3Å; R968-A972 PolarHBondContact O-N 3.48Å
969	S	65.5	Low	58.1	Low	83 Å²	83	105.5 Å²	105.5	58%	0.58	58%	0.577	S	S	*	*	H	α-helix	trans	-67.2	-35.5	170.3	29.6	0	0	0	0	113	L965 Q966	L965-S969 PolarHBondContact O-N 3.44Å; L965-S969 PolarHBondContact O-OG 3.17Å; Q966-S969 WeakPolarHBondContact CA-OG 3.42Å; Q966-S969 PolarHBondContact O-N 3.05Å; Q966-S969 VanDerWaalsContact O-N 3.12Å; Q966-S969 PolarHBondContact O-OG 3.21Å
970	E	55.2	Low	55.8	Low	135 Å²	135	107.3 Å²	107.3	63%	0.631	60%	0.596	S	S	*	*	H	α-helix	trans	-75	-45.1	177.4	-65.5	-167.4	141.7	0	0	112.6	Q966 L967 A972 S973	Q966-E970 PolarHBondContact O-N 2.79Å; Q966-E970 VanDerWaalsContact O-N 3.17Å; L967-E970 PolarHBondContact O-N 2.99Å; E970-A972 PolarHBondContact O-N 3.18Å; E970-S973 WeakPolarHBondContact O-CB 3.34Å; E970-S973 PolarHBondContact O-N 2.99Å; E970-S973 PolarHBondContact O-OG 3.37Å
971	A	50.9	Low	53.7	Low	80 Å²	80	112.1 Å²	112.1	66%	0.661	63%	0.628	S	S	*	*	H	α-helix	trans	-62.4	-26.8	-179.5	0	0	0	0	0	113.4	L967 S973	L967-A971 VanDerWaalsContact O-CB 3.3Å; L967-A971 WeakPolarHBondContact O-CB 3.42Å; L967-A971 PolarHBondContact O-N 3.17Å; A971-S973 PolarHBondContact O-N 2.83Å
972	A	49.5	Very low	51.2	Low	89 Å²	89	110.5 Å²	110.5	74%	0.736	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-7.3	175.5	0	0	0	0	0	114.3	R968 E970	R968-A972 PolarHBondContact O-N 3.48Å; E970-A972 PolarHBondContact O-N 3.18Å
973	S	49.8	Very low	48.8	Very low	88 Å²	88	114.4 Å²	114.4	62%	0.615	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-3.6	-170	73.3	0	0	0	0	116.2	E970 A971	E970-S973 WeakPolarHBondContact O-CB 3.34Å; E970-S973 PolarHBondContact O-N 2.99Å; E970-S973 PolarHBondContact O-OG 3.37Å; A971-S973 PolarHBondContact O-N 2.83Å
974	R	41.7	Very low	46.5	Very low	232 Å²	232	116.5 Å²	116.5	88%	0.875	68%	0.678	S	S	*	*			trans	-136.9	123.4	-174.3	-73.6	-174.3	172.1	-177.7	-1.5	114
975	G	31.3	Very low	44.1	Very low	73 Å²	73	121.2 Å²	121.2	75%	0.753	71%	0.706	S	S	*	*			trans	-157.7	173.8	166.5	0	0	0	0	0	112.8
976	S	31.7	Very low	41.7	Very low	119 Å²	119	122.8 Å²	122.8	83%	0.832	71%	0.714	S	S	*	*			trans	81	148.6	167.5	-149.4	0	0	0	0	119.9
977	R	34.7	Very low	39.6	Very low	199 Å²	199	127.4 Å²	127.4	75%	0.751	73%	0.727	S	S	*	*			trans	72	121.5	166.2	-55.1	-171.1	83.7	147.2	0.3	121.7
978	E	31.1	Very low	37.8	Very low	156 Å²	156	131.7 Å²	131.7	73%	0.729	75%	0.749	S	S	*	*			trans	68.9	143.4	131.1	-70	165.8	-151	0	0	122.4
979	G	26.8	Very low	35.9	Very low	76 Å²	76	125.8 Å²	125.8	78%	0.784	74%	0.744	S	S	*	*			trans	107.1	98.2	153.5	0	0	0	0	0	117.2
980	S	31.6	Very low	34	Very low	122 Å²	122	128.1 Å²	128.1	85%	0.853	76%	0.761	S	S	*	*			trans	-83.4	151.5	145.5	-62.1	0	0	0	0	108.9
981	P	37.9	Very low	32.6	Very low	122 Å²	122	125.6 Å²	125.6	79%	0.792	77%	0.77	S	S	*	*				-140	163.1	106.8	37.2	-25.3	0	0	0	115.9
982	S	27.7	Very low	31.3	Very low	92 Å²	92	125.3 Å²	125.3	64%	0.643	78%	0.775	S	S	*	*			trans	-45.5	147.6	176.1	52	0	0	0	0	118.2
983	H	32.3	Very low	30.2	Very low	196 Å²	196	127.5 Å²	127.5	91%	0.907	78%	0.78	S	S	*	*				-179.3	137.5	113.7	-85.5	-69.7	0	0	0	108.4
984	G	25.5	Very low	29.1	Very low	63 Å²	63	129.3 Å²	129.3	65%	0.649	79%	0.787	S	S	*	*			cis	155.9	150.5	-11.7	0	0	0	0	0	111.9
985	V	26.4	Very low	28.3	Very low	142 Å²	142	130.2 Å²	130.2	86%	0.861	79%	0.79	S	S	*	*			trans	71	135.5	159	173.3	0	0	0	0	117.1
986	L	26.2	Very low	28.1	Very low	142 Å²	142	134.5 Å²	134.5	74%	0.743	79%	0.788	S	S	*	*			cis	-158.5	172.7	-13.7	-110.4	-179.1	0	0	0	111.7
987	R	28.1	Very low	27.8	Very low	219 Å²	219	138.3 Å²	138.3	83%	0.826	79%	0.789	S	S	*	*			trans	-15.5	156.3	162.1	-69	169.2	171.4	-167.8	-3.9	118.8
988	L	25.7	Very low	27.4	Very low	157 Å²	157	135.3 Å²	135.3	82%	0.822	78%	0.784	S	S	*	*			cis	-162.1	166.6	33.1	-164.3	61.7	0	0	0	109.7
989	G	24.2	Very low	27.2	Very low	57 Å²	57	136.8 Å²	136.8	59%	0.588	79%	0.791	S	S	*	*			cis	146.7	163.3	-8.9	0	0	0	0	0	113.1
990	S	26.1	Very low	27.2	Very low	132 Å²	132	140.8 Å²	140.8	92%	0.923	79%	0.793	S	S	*	*			trans	69.9	141.5	-176	-54.2	0	0	0	0	116.6
991	G	24.8	Very low	27	Very low	81 Å²	81	142.8 Å²	142.8	84%	0.835	79%	0.789	S	S	*	*			cis	170	147.2	-9.4	0	0	0	0	0	112.8
992	G	25.2	Very low	26.5	Very low	74 Å²	74	142.7 Å²	142.7	76%	0.763	79%	0.791	S	S	*	*			trans	113.6	88.2	179.2	0	0	0	0	0	113.8
993	V	26.2	Very low	26.4	Very low	136 Å²	136	145 Å²	145	82%	0.824	80%	0.802	S	S	*	*				91.5	90.6	66.4	177.1	0	0	0	0	114.5
994	V	25	Very low	26.1	Very low	126 Å²	126	141.7 Å²	141.7	76%	0.764	80%	0.795	S	S	*	*			trans	49	113.8	133.6	-172.4	0	0	0	0	120
995	R	26.3	Very low	26.2	Very low	251 Å²	251	143.2 Å²	143.2	95%	0.947	80%	0.802	S	S	*	*				-153.1	154	106	-108	178.3	-175.3	-177.7	1.4	112.9
996	K	26.1	Very low	26.3	Very low	162 Å²	162	146 Å²	146	70%	0.704	80%	0.802	S	S	*	*			trans	-129.1	138.7	-167.7	-178.2	-152.5	-177.2	-161.1	0	109.2	E998	K996-E998 HydrophobicContact CD-CG 3.89Å; K996-E998 WeakPolarHBondContact CE-OE1 3.24Å; K996-E998 HydrophobicContact CG-CG 4.09Å; K996-E998 IonicContact NZ-OE1 3.15Å; K996-E998 PolarHBondContact NZ-OE1 3.45Å
997	K	25.8	Very low	26.3	Very low	200 Å²	200	147.1 Å²	147.1	87%	0.87	80%	0.804	S	S	*	*			trans	-159.6	84.3	161	-154.6	177.1	-174.2	-174.4	0	107.8
998	E	25.9	Very low	26.3	Very low	135 Å²	135	139.6 Å²	139.6	63%	0.631	79%	0.794	S	S	*	*				72.9	128.7	83.6	-70.4	-173.9	156.7	0	0	114.2	K996	K996-E998 HydrophobicContact CD-CG 3.89Å; K996-E998 WeakPolarHBondContact CE-OE1 3.24Å; K996-E998 HydrophobicContact CG-CG 4.09Å; K996-E998 IonicContact NZ-OE1 3.15Å; K996-E998 PolarHBondContact NZ-OE1 3.45Å
999	Q	28.4	Very low	26.4	Very low	188 Å²	188	140 Å²	140	88%	0.879	79%	0.79	S	S	*	*			trans	-81.8	138.9	-175.1	-63.5	154.8	-74.8	0	0	110.9
1000	L	26.4	Very low	26.6	Very low	160 Å²	160	139 Å²	139	84%	0.838	78%	0.78	S	S	*	*			trans	-110.7	102	155.8	-70.4	162.3	0	0	0	105.1
1001	Q	27.1	Very low	26.8	Very low	163 Å²	163	139.8 Å²	139.8	76%	0.762	77%	0.768	S	S	*	*				62	109.1	88.2	-70.8	-168	-14.4	0	0	112.3	V1003	Q1001-V1003 PolarHBondContact O-N 3.1Å
1002	S	26.5	Very low	27	Very low	120 Å²	120	140 Å²	140	84%	0.839	76%	0.757	S	S	*	*			trans	-67.7	115.3	173.6	50.7	0	0	0	0	110.8
1003	V	26.8	Very low	27.3	Very low	142 Å²	142	144.4 Å²	144.4	86%	0.861	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-81.4	120.6	174.3	-179.6	0	0	0	0	109.5	Q1001	Q1001-V1003 PolarHBondContact O-N 3.1Å
1004	T	25.7	Very low	27.4	Very low	126 Å²	126	141.5 Å²	141.5	77%	0.773	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-71.2	146.4	172.5	42.6	0	0	0	0	111.7
1005	A	27.8	Very low	27.5	Very low	95 Å²	95	141.5 Å²	141.5	79%	0.785	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-59.7	154.6	176.4	0	0	0	0	0	113.1
1006	F	28.7	Very low	27.6	Very low	199 Å²	199	134.7 Å²	134.7	87%	0.873	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-68.6	133.8	-165.2	-146.7	-102.6	0	0	0	113.6	G1008	F1006-G1008 PolarHBondContact O-N 2.84Å
1007	Q	25.7	Very low	27.7	Very low	166 Å²	166	130.9 Å²	130.9	78%	0.776	77%	0.769	S	S	*	*			trans	-87.9	89	170.7	-73.4	-172.2	-9.6	0	0	110.8	K1009	Q1007-K1009 PolarHBondContact O-N 3.15Å
1008	G	27.7	Very low	27.8	Very low	61 Å²	61	124.7 Å²	124.7	63%	0.629	76%	0.763	S	S	*	*			trans	-66.3	109.3	163.6	0	0	0	0	0	110.3	F1006 G1010	F1006-G1008 PolarHBondContact O-N 2.84Å; G1008-G1010 VanDerWaalsContact C-N 3.32Å; G1008-G1010 PolarHBondContact O-N 3.33Å
1009	K	28	Very low	27.9	Very low	166 Å²	166	124.6 Å²	124.6	72%	0.722	78%	0.777	S	S	*	*			trans	-79.7	76	176.8	-76.3	-172.8	176.4	179.3	0	111.6	Q1007 H1011	Q1007-K1009 PolarHBondContact O-N 3.15Å; K1009-H1011 PolarHBondContact O-N 3.19Å
1010	G	29	Very low	28	Very low	37 Å²	37	120.8 Å²	120.8	38%	0.381	77%	0.771	S	S	.	*			trans	-64.6	111.1	164.3	0	0	0	0	0	110.3	G1008	G1008-G1010 VanDerWaalsContact C-N 3.32Å; G1008-G1010 PolarHBondContact O-N 3.33Å
1011	H	28.9	Very low	28.6	Very low	147 Å²	147	118.8 Å²	118.8	68%	0.681	77%	0.768	S	S	*	*			trans	-93.8	104.9	171.9	-82.4	-83.7	0	0	0	109.5	K1009	K1009-H1011 PolarHBondContact O-N 3.19Å
1012	S	30	Very low	29.3	Very low	86 Å²	86	116.4 Å²	116.4	60%	0.601	77%	0.766	S	S	*	*			trans	-65.4	138.4	176.7	-51.9	0	0	0	0	111.8	G1014	S1012-G1014 PolarHBondContact O-N 3.19Å
1013	L	31.4	Very low	29.3	Very low	167 Å²	167	118.7 Å²	118.7	87%	0.874	76%	0.764	S	S	*	*			trans	-58.2	128.7	-178.2	-63.7	170.7	0	0	0	113
1014	G	27.5	Very low	29.3	Very low	75 Å²	75	118.5 Å²	118.5	77%	0.773	75%	0.753	S	S	*	*			trans	-137.5	138.2	167.5	0	0	0	0	0	109.8	S1012	S1012-G1014 PolarHBondContact O-N 3.19Å
1015	S	28.8	Very low	29.4	Very low	126 Å²	126	123.2 Å²	123.2	88%	0.881	76%	0.757	S	S	*	*			trans	-85.4	152	-166.8	-57.9	0	0	0	0	115.1
1016	A	27.8	Very low	29.8	Very low	108 Å²	108	124.2 Å²	124.2	89%	0.893	76%	0.755	S	S	*	*			trans	81	142.7	159	0	0	0	0	0	119.7
1017	G	28.2	Very low	29.7	Very low	81 Å²	81	122.7 Å²	122.7	84%	0.835	75%	0.754	S	S	*	*			trans	113.7	93.9	164.8	0	0	0	0	0	114.7
1018	G	28.7	Very low	29.8	Very low	71 Å²	71	121.2 Å²	121.2	73%	0.732	76%	0.757	S	S	*	*			trans	-90.2	-164.2	-179.6	0	0	0	0	0	115.4
1019	S	27.4	Very low	29.7	Very low	133 Å²	133	128.7 Å²	128.7	93%	0.93	77%	0.766	S	S	*	*			trans	91.3	157	-177.8	78.2	0	0	0	0	116.9
1020	S	29.5	Very low	29.5	Very low	108 Å²	108	127.6 Å²	127.6	76%	0.755	76%	0.763	S	S	*	*			trans	-107.6	159.1	-158.5	49.3	0	0	0	0	114
1021	P	39.2	Very low	29.3	Very low	118 Å²	118	134 Å²	134	77%	0.766	78%	0.783	S	S	*	*			trans	-84.1	169.8	-172.6	39.1	-40	0	0	0	112.9
1022	P	41.2	Very low	29.1	Very low	112 Å²	112	132.7 Å²	132.7	73%	0.727	79%	0.79	S	S	*	*				-149.7	157	90.7	39.3	-21.5	0	0	0	118.2
1023	E	27.6	Very low	28.9	Very low	169 Å²	169	134 Å²	134	79%	0.79	80%	0.799	S	S	*	*			trans	69.4	137.9	137.9	-74.1	-178	178.7	0	0	127.1
1024	H	27.6	Very low	28.5	Very low	138 Å²	138	129.5 Å²	129.5	64%	0.639	79%	0.794	S	S	*	*			trans	82.9	99.5	138.5	-86.9	-49	0	0	0	125.6
1025	R	26.4	Very low	28.5	Very low	225 Å²	225	132.8 Å²	132.8	85%	0.849	80%	0.798	S	S	*	*			trans	79.9	157.3	130.7	-87	177	176.8	-178.6	0.3	120.4
1026	P	37.4	Very low	28.3	Very low	115 Å²	115	134 Å²	134	75%	0.747	80%	0.795	S	S	*	*			trans	-111.4	154.5	-155.5	40.8	-33.3	0	0	0	115.4
1027	I	26.2	Very low	28.2	Very low	168 Å²	168	136.6 Å²	136.6	86%	0.862	79%	0.793	S	S	*	*			trans	-138.7	134.9	165.1	-61.7	-178.3	0	0	0	109.9
1028	T	27.3	Very low	28.1	Very low	134 Å²	134	137.5 Å²	137.5	82%	0.822	79%	0.787	S	S	*	*			trans	-103.1	123.7	171.5	49.4	0	0	0	0	111.2
1029	R	25.6	Very low	27.8	Very low	219 Å²	219	138.5 Å²	138.5	83%	0.826	79%	0.788	S	S	*	*			trans	-169.9	125	147.8	-116.3	176	172.9	160.4	4.4	116.4
1030	Q	24.2	Very low	27.8	Very low	143 Å²	143	137.5 Å²	137.5	67%	0.668	78%	0.781	S	S	*	*			trans	37.5	108.5	133.3	-59.7	177.5	-73.6	0	0	122
1031	H	24.5	Very low	27.7	Very low	172 Å²	172	139.4 Å²	139.4	80%	0.796	79%	0.787	S	S	*	*				57.1	146.8	124.1	-64.4	-76.3	0	0	0	124.8
1032	S	25	Very low	27	Very low	119 Å²	119	138.8 Å²	138.8	83%	0.832	79%	0.786	S	S	*	*			trans	79.7	154.9	157	83.1	0	0	0	0	116.5
1033	S	24.7	Very low	26.4	Very low	113 Å²	113	145.4 Å²	145.4	79%	0.79	80%	0.797	S	S	*	*			cis	-155.1	151.6	10.4	60.4	0	0	0	0	114.1
1034	G	23.5	Very low	26.4	Very low	73 Å²	73	141.2 Å²	141.2	75%	0.753	80%	0.799	S	S	*	*			trans	87.3	156.8	156.5	0	0	0	0	0	116.9
1035	V	27.7	Very low	26.3	Very low	144 Å²	144	139.2 Å²	139.2	87%	0.873	81%	0.806	S	S	*	*			cis	-136.4	135.7	7	177.7	0	0	0	0	110.9
1036	D	25	Very low	26.7	Very low	150 Å²	150	134.5 Å²	134.5	80%	0.802	80%	0.804	S	S	*	*			trans	-92.7	149.1	172.3	-85.7	-57.4	0	0	0	112.7
1037	L	25.7	Very low	26.2	Very low	163 Å²	163	135.7 Å²	135.7	85%	0.853	81%	0.805	S	S	*	*			trans	-150.2	136.6	153.3	-72.3	-179.4	0	0	0	110.2
1038	S	24.9	Very low	26.4	Very low	101 Å²	101	135.2 Å²	135.2	71%	0.706	80%	0.803	S	S	*	*			cis	177.8	116.5	-37.5	44.2	0	0	0	0	109.4
1039	A	24.4	Very low	26.3	Very low	91 Å²	91	134.1 Å²	134.1	75%	0.752	80%	0.8	S	S	*	*			trans	-161.5	104.3	159	0	0	0	0	0	107.9
1040	S	26.8	Very low	26.5	Very low	113 Å²	113	131.9 Å²	131.9	79%	0.79	81%	0.805	S	S	*	*				65.9	123.5	82.8	-61.5	0	0	0	0	111.8
1041	V	27.3	Very low	26.8	Very low	147 Å²	147	132.6 Å²	132.6	89%	0.891	81%	0.812	S	S	*	*			cis	-137.2	154.6	33.2	174.5	0	0	0	0	112.5
1042	S	23.6	Very low	27	Very low	105 Å²	105	129.8 Å²	129.8	73%	0.734	81%	0.809	S	S	*	*			trans	-97.7	153.7	-178.2	-22.5	0	0	0	0	114.2
1043	R	29.5	Very low	27.1	Very low	252 Å²	252	133.6 Å²	133.6	95%	0.951	81%	0.814	S	S	*	*				169.9	140.8	118.9	-96.2	175	177.5	-163.9	-0.9	114.5
1044	G	27.2	Very low	27.5	Very low	81 Å²	81	136 Å²	136	84%	0.835	82%	0.818	S	S	*	*			trans	89	112.3	144	0	0	0	0	0	118.1
1045	A	26.3	Very low	28	Very low	96 Å²	96	136.1 Å²	136.1	79%	0.793	81%	0.811	S	S	*	*			trans	-97.3	167	158.9	0	0	0	0	0	109.2
1046	P	33.9	Very low	27.9	Very low	125 Å²	125	135.9 Å²	135.9	81%	0.812	81%	0.81	S	S	*	*				-141.7	159.2	71.1	39.3	-23	0	0	0	117.2
1047	D	26.6	Very low	28	Very low	141 Å²	141	138.3 Å²	138.3	75%	0.754	81%	0.808	S	S	*	*			trans	29.6	123.6	147.4	-126.2	1.9	0	0	0	123.7
1048	L	30.8	Very low	28	Very low	158 Å²	158	137.7 Å²	137.7	83%	0.827	80%	0.801	S	S	*	*			trans	18.6	93.1	143.1	-62.3	172.4	0	0	0	120.1
1049	S	25.7	Very low	27.8	Very low	110 Å²	110	140.6 Å²	140.6	77%	0.769	81%	0.808	S	S	*	*				-179.7	95.4	115.4	61	0	0	0	0	112.9
1050	D	28.6	Very low	27.8	Very low	173 Å²	173	142.4 Å²	142.4	93%	0.925	81%	0.809	S	S	*	*			trans	-160.4	154.5	153.4	-108.2	-35.7	0	0	0	111.7
1051	I	30.7	Very low	27.6	Very low	158 Å²	158	148 Å²	148	81%	0.81	81%	0.813	S	S	*	*			trans	-111.1	150.7	-168.2	-74.7	170.6	0	0	0	108.8
1052	P	29.1	Very low	27.5	Very low	112 Å²	112	149.4 Å²	149.4	73%	0.727	81%	0.812	S	S	*	*			cis	-125.9	159.9	17.7	23.1	-0.3	0	0	0	117.2
1053	E	28.1	Very low	27.6	Very low	200 Å²	200	148.9 Å²	148.9	94%	0.935	81%	0.814	S	S	*	*			trans	-83	113.4	160	-63	180	123.5	0	0	110.4
1054	D	32.7	Very low	27.4	Very low	164 Å²	164	143.2 Å²	143.2	88%	0.877	81%	0.809	S	S	*	*			trans	-134	69.5	160.6	-173	16.3	0	0	0	110.4
1055	A	34.2	Very low	27.2	Very low	75 Å²	75	142.9 Å²	142.9	62%	0.62	81%	0.806	S	S	*	*			trans	-160	128.9	163.9	0	0	0	0	0	111.3
1056	T	25.2	Very low	27	Very low	139 Å²	139	147.6 Å²	147.6	85%	0.853	81%	0.809	S	S	*	*			trans	70	139.7	179.3	85.8	0	0	0	0	113.7
1057	R	26.8	Very low	26.5	Very low	201 Å²	201	148.3 Å²	148.3	76%	0.758	81%	0.811	S	S	*	*			cis	-139.5	154.8	21.3	-119.2	-177.5	162.7	121.2	2.8	113.6
1058	E	25.4	Very low	26.3	Very low	149 Å²	149	145.1 Å²	145.1	70%	0.696	80%	0.804	S	S	*	*			trans	56.9	68.9	143	-69.6	157.5	-174.7	0	0	119.8	V1060	E1058-V1060 PolarHBondContact O-N 3.09Å
1059	L	21.6	Very low	25.9	Very low	162 Å²	162	143.2 Å²	143.2	85%	0.848	80%	0.804	S	S	*	*			trans	-69.2	104.8	147	-101.8	106	0	0	0	110.5	R1061	L1059-R1061 PolarHBondContact O-N 3.46Å; L1059-R1061 VanDerWaalsContact O-N 3.09Å
1060	V	23.4	Very low	25.8	Very low	129 Å²	129	148.7 Å²	148.7	78%	0.782	81%	0.808	S	S	*	*			trans	-66.1	103	162.5	176	0	0	0	0	108.8	E1058 M1062	E1058-V1060 PolarHBondContact O-N 3.09Å; V1060-M1062 PolarHBondContact O-N 3.2Å; V1060-M1062 VanDerWaalsContact O-N 3.13Å
1061	R	23.1	Very low	25.6	Very low	231 Å²	231	147.3 Å²	147.3	87%	0.872	80%	0.801	S	S	*	*			trans	-75.4	100	179.7	-75	-175	174.5	173	-0.9	111.7	L1059	L1059-R1061 PolarHBondContact O-N 3.46Å; L1059-R1061 VanDerWaalsContact O-N 3.09Å
1062	M	24.9	Very low	25.4	Very low	177 Å²	177	142.7 Å²	142.7	87%	0.872	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-74.1	166	153.6	-73.3	-166.9	167.4	0	0	111.1	V1060	V1060-M1062 PolarHBondContact O-N 3.2Å; V1060-M1062 VanDerWaalsContact O-N 3.13Å
1063	A	26.5	Very low	25.6	Very low	93 Å²	93	148.9 Å²	148.9	77%	0.769	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-71.9	149.6	-164	0	0	0	0	0	114.8
1064	P	23.9	Very low	25.9	Very low	133 Å²	133	143.8 Å²	143.8	86%	0.864	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-76.8	133.1	168.7	32.6	-32.7	0	0	0	110.2
1065	G	23.9	Very low	25.9	Very low	74 Å²	74	138.8 Å²	138.8	76%	0.763	77%	0.769	S	S	*	*			trans	179.2	-25.3	176.8	0	0	0	0	0	119.5
1066	F	21.4	Very low	26	Very low	195 Å²	195	140.9 Å²	140.9	86%	0.855	77%	0.77	S	S	*	*			trans	-157.4	129.4	173.7	-131.8	-87.7	0	0	0	112.3	A1068	F1066-A1068 HydrophobicContact CD1-CB 4.01Å; F1066-A1068 PolarHBondContact O-N 2.94Å
1067	V	25	Very low	26.7	Very low	141 Å²	141	138.6 Å²	138.6	86%	0.855	76%	0.757	S	S	*	*			trans	-87.9	95.8	161.8	178.9	0	0	0	0	107.1
1068	A	20.6	Very low	27.2	Very low	73 Å²	73	131.3 Å²	131.3	60%	0.603	75%	0.745	S	S	*	*			trans	-125.5	99.1	164.5	0	0	0	0	0	107.8	F1066 R1070	F1066-A1068 HydrophobicContact CD1-CB 4.01Å; F1066-A1068 PolarHBondContact O-N 2.94Å; A1068-R1070 PolarHBondContact O-N 3.38Å
1069	S	22.6	Very low	27.9	Very low	119 Å²	119	126 Å²	126	83%	0.832	72%	0.721	S	S	*	*			trans	-62.1	106.1	162.4	-62.8	0	0	0	0	107.4	D1071	S1069-D1071 PolarHBondContact O-N 3.21Å
1070	R	24.3	Very low	28.7	Very low	224 Å²	224	123.1 Å²	123.1	85%	0.845	71%	0.705	S	S	*	*			trans	-82.8	105.2	178.4	171.5	-173.9	168.3	171.2	-1.7	108.7	A1068	A1068-R1070 PolarHBondContact O-N 3.38Å
1071	D	23.9	Very low	29.6	Very low	145 Å²	145	121.5 Å²	121.5	78%	0.775	69%	0.688	S	S	*	*			trans	-177.6	154	136.8	-90.3	-23.5	0	0	0	108.4	S1069	S1069-D1071 PolarHBondContact O-N 3.21Å
1072	G	27	Very low	30.3	Very low	61 Å²	61	115.4 Å²	115.4	63%	0.629	67%	0.67	S	S	*	*			cis	103.1	133.8	7.6	0	0	0	0	0	111.9
1073	R	33.1	Very low	30.9	Very low	242 Å²	242	108 Å²	108	91%	0.913	63%	0.633	S	S	*	*			cis	-151.9	152.6	-12.4	-95.7	179.5	176.2	171.3	-2.6	107.5
1074	A	34.2	Very low	31.6	Very low	93 Å²	93	109.8 Å²	109.8	77%	0.769	62%	0.62	S	S	*	*			trans	38.1	114.3	156.6	0	0	0	0	0	119.7
1075	P	33.2	Very low	32.4	Very low	58 Å²	58	110.2 Å²	110.2	38%	0.377	60%	0.604	S	S	.	*			trans	-64.1	160.1	161.6	-15.1	29.1	0	0	0	113.3	P924 L1079	P924-P1075 HydrophobicContact CB-CG 4.44Å; P924-P1075 HydrophobicContact CG-CG 3.88Å; P1075-L1079 HydrophobicContact CB-CD2 4Å
1076	D	36.6	Very low	33	Very low	120 Å²	120	109.4 Å²	109.4	64%	0.642	58%	0.58	S	S	*	*			trans	-76.8	150.3	-172.6	-172.9	71.2	0	0	0	114	G1078 L1079 M1080	D1076-G1078 VanDerWaalsContact C-N 3.26Å; D1076-G1078 PolarHBondContact O-N 3.44Å; D1076-G1078 VanDerWaalsContact O-N 3.08Å; D1076-L1079 WeakPolarHBondContact O-CB 3.4Å; D1076-L1079 PolarHBondContact O-N 2.86Å; D1076-M1080 PolarHBondContact O-N 3.41Å
1077	P	38.5	Very low	33.9	Very low	90 Å²	90	102 Å²	102	58%	0.584	55%	0.549	S	S	*	.	H	α-helix	trans	-64	-17.8	-169	-26.5	37.4	0	0	0	117	M1080 E1081	P1077-M1080 CarbonylContact O-C 3.35Å; P1077-M1080 PolarHBondContact O-N 3.31Å; P1077-M1080 VanDerWaalsContact O-N 3.09Å; P1077-E1081 PolarHBondContact O-N 3.11Å
1078	G	38.5	Very low	34.6	Very low	49 Å²	49	99.9 Å²	99.9	51%	0.505	53%	0.53	S	S	.	.	H	α-helix	trans	-61	-45.7	173.5	0	0	0	0	0	112.1	D1076 M1080 E1081 Q1082	D1076-G1078 VanDerWaalsContact C-N 3.26Å; D1076-G1078 PolarHBondContact O-N 3.44Å; D1076-G1078 VanDerWaalsContact O-N 3.08Å; G1078-M1080 VanDerWaalsContact C-N 3.3Å; G1078-M1080 PolarHBondContact O-N 2.99Å; G1078-E1081 PolarHBondContact O-N 3.32Å; G1078-Q1082 PolarHBondContact O-N 3.38Å
1079	L	38.9	Very low	35.4	Very low	36 Å²	36	97.5 Å²	97.5	19%	0.188	51%	0.506	C	S	.	.	H	α-helix	trans	-56.6	-48.7	167.7	-93.4	68.3	0	0	0	109.8	D912 M913 P1075 D1076 E1081 Q1082 Q1083	D912-L1079 HydrophobicContact CB-CB 4.25Å; D912-L1079 HydrophobicContact CB-CG 3.96Å; D912-L1079 WeakPolarHBondContact O-CA 3.4Å; D912-L1079 WeakPolarHBondContact O-CD1 3.39Å; D912-L1079 WeakPolarHBondContact O-CG 3.32Å; M913-L1079 HydrophobicContact CE-CD1 4.32Å; M913-L1079 HydrophobicContact CE-CD2 4.01Å; M913-L1079 HydrophobicContact CG-CD1 4.08Å; M913-L1079 HydrophobicContact CG-CD2 3.82Å; M913-L1079 HydrophobicContact CG-CG 3.82Å; M913-L1079 HydrophobicContact SD-CD2 3.98Å; P1075-L1079 HydrophobicContact CB-CD2 4Å; D1076-L1079 WeakPolarHBondContact O-CB 3.4Å; D1076-L1079 PolarHBondContact O-N 2.86Å; L1079-E1081 VanDerWaalsContact C-N 3.27Å; L1079-E1081 PolarHBondContact O-N 3.1Å; L1079-Q1082 CarbonylContact O-C 3.49Å; L1079-Q1082 PolarHBondContact O-N 3.31Å; L1079-Q1083 VanDerWaalsContact O-CB 3.25Å; L1079-Q1083 WeakPolarHBondContact O-CB 3.19Å; L1079-Q1083 PolarHBondContact O-N 2.83Å
1080	M	40.3	Very low	36.1	Very low	102 Å²	102	93.4 Å²	93.4	50%	0.502	47%	0.474	S	S	.	.	H	α-helix	trans	-64.6	-22.8	-173.2	-67.5	-74.5	-68.2	0	0	114.7	D1076 P1077 G1078 Q1083 R1084	D1076-M1080 PolarHBondContact O-N 3.41Å; P1077-M1080 CarbonylContact O-C 3.35Å; P1077-M1080 PolarHBondContact O-N 3.31Å; P1077-M1080 VanDerWaalsContact O-N 3.09Å; G1078-M1080 VanDerWaalsContact C-N 3.3Å; G1078-M1080 PolarHBondContact O-N 2.99Å; M1080-Q1083 CarbonylContact O-C 3.45Å; M1080-R1084 WeakPolarHBondContact O-CB 3.28Å; M1080-R1084 PolarHBondContact O-N 3.41Å
1081	E	41.6	Very low	36.9	Very low	95 Å²	95	83.8 Å²	83.8	44%	0.444	44%	0.44	S	S	.	.	H	α-helix	trans	-90.4	-27.5	179.4	-163.7	61	-153.5	0	0	112.4	P1077 G1078 L1079 Q1083 R1084 R1085	P1077-E1081 PolarHBondContact O-N 3.11Å; G1078-E1081 PolarHBondContact O-N 3.32Å; L1079-E1081 VanDerWaalsContact C-N 3.27Å; L1079-E1081 PolarHBondContact O-N 3.1Å; E1081-Q1083 VanDerWaalsContact C-N 3.35Å; E1081-R1084 VanDerWaalsContact C-N 3.35Å; E1081-R1084 CarbonylContact O-C 3.57Å; E1081-R1084 VanDerWaalsContact O-CA 3.31Å; E1081-R1084 WeakPolarHBondContact O-CA 3.45Å; E1081-R1084 WeakPolarHBondContact O-CB 3.3Å; E1081-R1084 PolarHBondContact O-N 2.9Å; E1081-R1084 VanDerWaalsContact O-N 3.08Å; E1081-R1084 WeakPolarHBondContact OE1-CD 3.49Å; E1081-R1084 WeakPolarHBondContact OE2-CD 3.14Å; E1081-R1084 IonicContact OE2-NH1 2.75Å; E1081-R1085 PolarHBondContact O-N 2.83Å
1082	Q	37.1	Very low	37.7	Very low	103 Å²	103	77.9 Å²	77.9	48%	0.481	41%	0.41	S	S	.	.	H	α-helix	trans	-75.3	-25.5	159	-84.8	175.5	-61.6	0	0	111.9	K911 G1078 L1079 R1084 R1085 K1086	K911-Q1082 WeakPolarHBondContact CE-O 3.15Å; K911-Q1082 HydrophobicContact CG-CB 4.32Å; K911-Q1082 VanDerWaalsContact CG-O 3.31Å; K911-Q1082 WeakPolarHBondContact CG-O 3.42Å; K911-Q1082 WeakPolarHBondContact O-CB 3.41Å; K911-Q1082 WeakPolarHBondContact O-CG 3.35Å; K911-Q1082 PolarHBondContact O-NE2 2.86Å; K911-Q1082 VanDerWaalsContact O-NE2 3.14Å; K911-Q1082 PolarHBondContact O-OE1 3.11Å; K911-Q1082 VanDerWaalsContact O-OE1 3.14Å; G1078-Q1082 PolarHBondContact O-N 3.38Å; L1079-Q1082 CarbonylContact O-C 3.49Å; L1079-Q1082 PolarHBondContact O-N 3.31Å; Q1082-R1084 PolarHBondContact O-N 2.84Å; Q1082-R1085 CarbonylContact O-C 3.57Å; Q1082-R1085 WeakPolarHBondContact O-CA 3.25Å; Q1082-R1085 PolarHBondContact O-N 3.37Å; Q1082-K1086 PolarHBondContact O-N 2.76Å
1083	Q	37.2	Very low	38.2	Very low	21 Å²	21	77.5 Å²	77.5	10%	0.098	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	6.4	161.6	-152.5	160.5	14.4	0	0	112	Q867 D912 L1079 M1080 E1081 L1087	Q867-Q1083 PolarHBondContact NE2-O 2.96Å; Q867-Q1083 PolarHBondContact OE1-O 2.91Å; D912-Q1083 WeakPolarHBondContact OD1-CA 3.27Å; D912-Q1083 WeakPolarHBondContact OD1-CB 3.48Å; D912-Q1083 PolarHBondContact OD1-N 3.49Å; L1079-Q1083 VanDerWaalsContact O-CB 3.25Å; L1079-Q1083 WeakPolarHBondContact O-CB 3.19Å; L1079-Q1083 PolarHBondContact O-N 2.83Å; M1080-Q1083 CarbonylContact O-C 3.45Å; E1081-Q1083 VanDerWaalsContact C-N 3.35Å; Q1083-L1087 HydrophobicContact CG-CB 4.39Å; Q1083-L1087 HydrophobicContact CG-CD1 3.88Å; Q1083-L1087 HydrophobicContact CG-CD2 4.08Å; Q1083-L1087 HydrophobicContact CG-CG 4.33Å
1084	R	41.8	Very low	38.5	Very low	131 Å²	131	68.3 Å²	68.3	49%	0.494	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	3.1	156.6	-144.6	166.4	-160.3	158.1	3.3	111.9	Q867 M1080 E1081 Q1082	Q867-R1084 PolarHBondContact NE2-O 3.49Å; Q867-R1084 VanDerWaalsContact OE1-C 3.26Å; M1080-R1084 WeakPolarHBondContact O-CB 3.28Å; M1080-R1084 PolarHBondContact O-N 3.41Å; E1081-R1084 VanDerWaalsContact C-N 3.35Å; E1081-R1084 CarbonylContact O-C 3.57Å; E1081-R1084 VanDerWaalsContact O-CA 3.31Å; E1081-R1084 WeakPolarHBondContact O-CA 3.45Å; E1081-R1084 WeakPolarHBondContact O-CB 3.3Å; E1081-R1084 PolarHBondContact O-N 2.9Å; E1081-R1084 VanDerWaalsContact O-N 3.08Å; E1081-R1084 WeakPolarHBondContact OE1-CD 3.49Å; E1081-R1084 WeakPolarHBondContact OE2-CD 3.14Å; E1081-R1084 IonicContact OE2-NH1 2.75Å; Q1082-R1084 PolarHBondContact O-N 2.84Å
1085	R	40.2	Very low	38.9	Very low	142 Å²	142	67.6 Å²	67.6	54%	0.536	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.1	10.1	173.4	-55.7	-167	-165.3	-179.6	6.3	117.8	Q867 E1081 Q1082 E1089	Q867-R1085 VanDerWaalsContact CG-CA 3.47Å; E1081-R1085 PolarHBondContact O-N 2.83Å; Q1082-R1085 CarbonylContact O-C 3.57Å; Q1082-R1085 WeakPolarHBondContact O-CA 3.25Å; Q1082-R1085 PolarHBondContact O-N 3.37Å; R1085-E1089 WeakPolarHBondContact CA-OE1 3.31Å; R1085-E1089 WeakPolarHBondContact CB-OE1 3.42Å; R1085-E1089 WeakPolarHBondContact CG-OE1 3.33Å
1086	K	37.5	Very low	39.2	Very low	57 Å²	57	66.2 Å²	66.2	25%	0.248	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.6	127.3	132.5	-44.3	-169.9	175.4	-174.8	0	116.4	I866 Q867 I870 K911 Q1082	I866-K1086 WeakPolarHBondContact O-CD 3.46Å; I866-K1086 VanDerWaalsContact O-CG 3.25Å; I866-K1086 WeakPolarHBondContact O-CG 3.43Å; Q867-K1086 VanDerWaalsContact CB-CA 3.4Å; Q867-K1086 HydrophobicContact CB-CB 4.41Å; Q867-K1086 VanDerWaalsContact CG-C 3.45Å; Q867-K1086 HydrophobicContact CG-CB 4.4Å; Q867-K1086 PolarHBondContact OE1-O 3.48Å; I870-K1086 HydrophobicContact CB-CB 4.49Å; I870-K1086 HydrophobicContact CD1-CB 3.48Å; I870-K1086 VanDerWaalsContact CD1-CB 3.48Å; I870-K1086 HydrophobicContact CD1-CD 3.86Å; I870-K1086 HydrophobicContact CD1-CG 4.27Å; I870-K1086 HydrophobicContact CG1-CB 4.08Å; K911-K1086 HydrophobicContact CB-CG 4.44Å; K911-K1086 HydrophobicContact CD-CB 3.69Å; K911-K1086 HydrophobicContact CD-CD 4.5Å; K911-K1086 HydrophobicContact CD-CG 3.98Å; K911-K1086 WeakPolarHBondContact CE-O 3.3Å; K911-K1086 HydrophobicContact CG-CB 4.13Å; K911-K1086 HydrophobicContact CG-CG 3.93Å; K911-K1086 PolarHBondContact NZ-O 2.91Å; Q1082-K1086 PolarHBondContact O-N 2.76Å
1087	L	39.3	Very low	39.3	Very low	39 Å²	39	64 Å²	64	20%	0.204	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn		110.5	-107.3	-126.7	-88.7	77.4	0	0	0	121.5	Q867 E868 I870 D871 Q1083	Q867-L1087 CarbonylContact C-O 3.44Å; Q867-L1087 WeakPolarHBondContact CB-O 3.41Å; Q867-L1087 VanDerWaalsContact CD-N 3.3Å; Q867-L1087 PolarHBondContact O-N 2.93Å; Q867-L1087 VanDerWaalsContact OE1-CB 3.22Å; E868-L1087 WeakPolarHBondContact CA-O 3.49Å; E868-L1087 WeakPolarHBondContact CB-O 3.36Å; E868-L1087 PolarHBondContact N-O 3.41Å; I870-L1087 HydrophobicContact CG2-CD1 3.8Å; D871-L1087 WeakPolarHBondContact OD1-CG 3.39Å; D871-L1087 WeakPolarHBondContact OD2-CA 3.45Å; Q1083-L1087 HydrophobicContact CG-CB 4.39Å; Q1083-L1087 HydrophobicContact CG-CD1 3.88Å; Q1083-L1087 HydrophobicContact CG-CD2 4.08Å; Q1083-L1087 HydrophobicContact CG-CG 4.33Å
1088	Q	40.6	Very low	39.3	Very low	98 Å²	98	64.8 Å²	64.8	46%	0.458	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-51.9	-73.2	167.8	-49	-161.4	-101.7	0	0	120.9	M1090 V1091	Q1088-M1090 VanDerWaalsContact C-N 3.27Å; Q1088-M1090 PolarHBondContact O-N 3.28Å; Q1088-V1091 HydrophobicContact CB-CG2 4.47Å; Q1088-V1091 VanDerWaalsContact O-CB 3.28Å; Q1088-V1091 WeakPolarHBondContact O-CB 3.33Å; Q1088-V1091 WeakPolarHBondContact O-CG2 3.38Å; Q1088-V1091 PolarHBondContact O-N 3.22Å
1089	E	37.4	Very low	39.5	Very low	23 Å²	23	68 Å²	68	11%	0.107	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-19.3	5.7	164.8	171	173	1.1	0	0	122.4	S863 R864 E865 I866 Q867 R1085	S863-E1089 WeakPolarHBondContact CA-OE1 3.16Å; S863-E1089 WeakPolarHBondContact CA-OE2 3.43Å; S863-E1089 PolarHBondContact N-OE2 2.99Å; S863-E1089 WeakPolarHBondContact O-CA 3.3Å; S863-E1089 VanDerWaalsContact O-CB 3.3Å; S863-E1089 WeakPolarHBondContact O-CB 3.48Å; R864-E1089 CarbonylContact C-O 3.51Å; R864-E1089 VanDerWaalsContact CA-CA 3.45Å; R864-E1089 VanDerWaalsContact CA-O 3.27Å; R864-E1089 WeakPolarHBondContact CA-O 3.4Å; R864-E1089 CarbonylContact O-C 3.46Å; E865-E1089 CarbonylContact C-O 3.53Å; E865-E1089 WeakPolarHBondContact CA-O 3.5Å; E865-E1089 PolarHBondContact N-O 2.71Å; I866-E1089 CarbonylContact C-O 3.53Å; I866-E1089 HydrophobicContact CB-CG 4.42Å; I866-E1089 VanDerWaalsContact N-CG 3.28Å; I866-E1089 PolarHBondContact N-O 3.23Å; Q867-E1089 HydrophobicContact CB-CB 3.37Å; Q867-E1089 HydrophobicContact CB-CG 4.29Å; Q867-E1089 HydrophobicContact CG-CB 3.1Å; Q867-E1089 HydrophobicContact CG-CG 4.16Å; Q867-E1089 PolarHBondContact N-O 3.03Å; R1085-E1089 WeakPolarHBondContact CA-OE1 3.31Å; R1085-E1089 WeakPolarHBondContact CB-OE1 3.42Å; R1085-E1089 WeakPolarHBondContact CG-OE1 3.33Å
1090	M	36.4	Very low	39.6	Very low	32 Å²	32	74.3 Å²	74.3	16%	0.158	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-114.1	7.5	155	-75.4	135	141.5	0	0	110	R864 E865 I866 Q867 E868 S869 Q1088 S1092 S1093 I1094	R864-M1090 CarbonylContact O-C 3.56Å; R864-M1090 VanDerWaalsContact O-CA 3.3Å; R864-M1090 WeakPolarHBondContact O-CA 3.25Å; E865-M1090 VanDerWaalsContact C-CG 3.44Å; E865-M1090 VanDerWaalsContact O-CG 3.22Å; E865-M1090 WeakPolarHBondContact O-CG 3.3Å; I866-M1090 VanDerWaalsContact C-CG 3.48Å; I866-M1090 VanDerWaalsContact CA-CG 3.46Å; I866-M1090 HydrophobicContact CG2-CE 4.26Å; Q867-M1090 PolarHBondContact N-SD 2.93Å; Q867-M1090 VanDerWaalsContact N-SD 3.37Å; E868-M1090 HydrophobicContact CB-CB 3.6Å; E868-M1090 VanDerWaalsContact N-CA 3.33Å; S869-M1090 PolarHBondContact N-SD 3Å; S869-M1090 WeakPolarHBondContact OG-CE 3.48Å; S869-M1090 PolarHBondContact OG-SD 2.86Å; Q1088-M1090 VanDerWaalsContact C-N 3.27Å; Q1088-M1090 PolarHBondContact O-N 3.28Å; M1090-S1092 CarbonylContact O-C 3.51Å; M1090-S1092 PolarHBondContact O-N 3.43Å; M1090-S1093 WeakPolarHBondContact O-CA 3.33Å; M1090-S1093 PolarHBondContact O-N 3.17Å; M1090-I1094 PolarHBondContact O-N 2.91Å
1091	V	41.9	Very low	39.8	Very low	22 Å²	22	76.3 Å²	76.3	13%	0.133	36%	0.363	C	S	.	.	H	α-helix	trans	-48.9	-32.5	166.8	175.6	0	0	0	0	108.6	R864 E868 Q1088 Q1095	R864-V1091 HydrophobicContact CG-CB 4.39Å; E868-V1091 HydrophobicContact CB-CG2 4.29Å; E868-V1091 VanDerWaalsContact CB-N 3.32Å; E868-V1091 HydrophobicContact CG-CG2 4.13Å; E868-V1091 WeakPolarHBondContact OE1-CG2 3.28Å; E868-V1091 WeakPolarHBondContact OE2-CA 3.13Å; Q1088-V1091 HydrophobicContact CB-CG2 4.47Å; Q1088-V1091 VanDerWaalsContact O-CB 3.28Å; Q1088-V1091 WeakPolarHBondContact O-CB 3.33Å; Q1088-V1091 WeakPolarHBondContact O-CG2 3.38Å; Q1088-V1091 PolarHBondContact O-N 3.22Å; V1091-Q1095 HydrophobicContact CG1-CG 4.13Å; V1091-Q1095 VanDerWaalsContact O-CA 3.25Å; V1091-Q1095 WeakPolarHBondContact O-CA 3.18Å; V1091-Q1095 WeakPolarHBondContact O-CB 3.32Å; V1091-Q1095 WeakPolarHBondContact O-CG 3.41Å; V1091-Q1095 PolarHBondContact O-N 3.11Å
1092	S	40.7	Very low	39.8	Very low	21 Å²	21	76.2 Å²	76.2	15%	0.147	37%	0.365	C	S	.	.	H	α-helix	trans	-94.5	-8.9	167.4	-66.7	0	0	0	0	117.6	R864 M1090 A1096	R864-S1092 WeakPolarHBondContact CB-OG 3.4Å; R864-S1092 WeakPolarHBondContact CD-OG 3.42Å; R864-S1092 WeakPolarHBondContact CG-OG 3.25Å; R864-S1092 PolarHBondContact NH1-OG 3.49Å; R864-S1092 CarbonylContact O-C 3.57Å; R864-S1092 VanDerWaalsContact O-C 3.26Å; R864-S1092 WeakPolarHBondContact O-CA 3.22Å; R864-S1092 WeakPolarHBondContact O-CB 3.4Å; R864-S1092 PolarHBondContact O-N 3.13Å; M1090-S1092 CarbonylContact O-C 3.51Å; M1090-S1092 PolarHBondContact O-N 3.43Å; S1092-A1096 WeakPolarHBondContact O-CA 3.37Å; S1092-A1096 WeakPolarHBondContact O-CB 3.4Å; S1092-A1096 PolarHBondContact O-N 2.88Å
1093	S	36.6	Very low	40.2	Very low	53 Å²	53	77.9 Å²	77.9	37%	0.371	37%	0.371	S	S	.	.	H	α-helix	trans	-72.6	-47.8	163.7	-170.7	0	0	0	0	109.5	R864 M1090 A1096 S1097	R864-S1093 PolarHBondContact O-N 2.85Å; R864-S1093 VanDerWaalsContact O-N 3.09Å; M1090-S1093 WeakPolarHBondContact O-CA 3.33Å; M1090-S1093 PolarHBondContact O-N 3.17Å; S1093-A1096 PolarHBondContact O-N 3.07Å; S1093-S1097 WeakPolarHBondContact O-CB 3.33Å; S1093-S1097 PolarHBondContact O-N 2.87Å
1094	I	39.7	Very low	40.3	Very low	50 Å²	50	84.3 Å²	84.3	26%	0.256	40%	0.401	S	S	.	.	H	α-helix	trans	-74.2	-41.3	175.8	-66.1	169.2	0	0	0	110.5	E868 L872 M1090 S1097 M1098	E868-I1094 HydrophobicContact CB-CD1 4.41Å; E868-I1094 HydrophobicContact CG-CD1 4.39Å; E868-I1094 VanDerWaalsContact OE2-CB 3.3Å; E868-I1094 WeakPolarHBondContact OE2-CB 3.38Å; E868-I1094 WeakPolarHBondContact OE2-CD1 3.11Å; L872-I1094 HydrophobicContact CD2-CD1 4.16Å; M1090-I1094 PolarHBondContact O-N 2.91Å; I1094-S1097 WeakPolarHBondContact O-CB 3.35Å; I1094-S1097 PolarHBondContact O-N 2.74Å; I1094-M1098 HydrophobicContact CG2-SD 4.14Å; I1094-M1098 WeakPolarHBondContact O-CG 3.38Å; I1094-M1098 PolarHBondContact O-N 3.27Å
1095	Q	41.8	Very low	40.2	Very low	78 Å²	78	84.8 Å²	84.8	36%	0.364	41%	0.409	S	S	.	.	H	α-helix	trans	-68.5	-28.5	169	-69.6	176.5	-26.2	0	0	113.4	R864 V1091 S1097 M1098 E1099	R864-Q1095 VanDerWaalsContact CZ-OE1 3.23Å; V1091-Q1095 HydrophobicContact CG1-CG 4.13Å; V1091-Q1095 VanDerWaalsContact O-CA 3.25Å; V1091-Q1095 WeakPolarHBondContact O-CA 3.18Å; V1091-Q1095 WeakPolarHBondContact O-CB 3.32Å; V1091-Q1095 WeakPolarHBondContact O-CG 3.41Å; V1091-Q1095 PolarHBondContact O-N 3.11Å; Q1095-S1097 VanDerWaalsContact C-N 3.28Å; Q1095-M1098 PolarHBondContact O-N 3.46Å; Q1095-E1099 WeakPolarHBondContact O-CA 3.24Å; Q1095-E1099 WeakPolarHBondContact O-CB 3.33Å; Q1095-E1099 VanDerWaalsContact O-CG 3.32Å; Q1095-E1099 WeakPolarHBondContact O-CG 3.23Å; Q1095-E1099 PolarHBondContact O-N 3.23Å
1096	A	41.1	Very low	40.1	Very low	28 Å²	28	85.1 Å²	85.1	23%	0.231	42%	0.416	C	S	.	.	H	α-helix	trans	-76.7	-19.1	172.4	0	0	0	0	0	112.5	S1092 S1093 R1100	S1092-A1096 WeakPolarHBondContact O-CA 3.37Å; S1092-A1096 WeakPolarHBondContact O-CB 3.4Å; S1092-A1096 PolarHBondContact O-N 2.88Å; S1093-A1096 PolarHBondContact O-N 3.07Å; A1096-R1100 WeakPolarHBondContact O-CB 3.43Å; A1096-R1100 PolarHBondContact O-N 3.22Å; A1096-R1100 PolarHBondContact O-NE 2.81Å
1097	S	38	Very low	40	Very low	75 Å²	75	85.5 Å²	85.5	52%	0.524	44%	0.437	S	S	.	.	H	α-helix	trans	-72.7	-50.6	165.3	-167.2	0	0	0	0	110.3	S1093 I1094 Q1095 R1100 H1101	S1093-S1097 WeakPolarHBondContact O-CB 3.33Å; S1093-S1097 PolarHBondContact O-N 2.87Å; I1094-S1097 WeakPolarHBondContact O-CB 3.35Å; I1094-S1097 PolarHBondContact O-N 2.74Å; Q1095-S1097 VanDerWaalsContact C-N 3.28Å; S1097-R1100 PolarHBondContact O-N 3.48Å; S1097-H1101 WeakPolarHBondContact O-CB 3.42Å; S1097-H1101 PolarHBondContact O-N 3.46Å
1098	M	38.3	Very low	39.7	Very low	106 Å²	106	87.5 Å²	87.5	52%	0.522	46%	0.459	S	S	.	.	H	α-helix	trans	-65.9	-37.8	177.1	-67.4	174	65.4	0	0	113.3	I1094 Q1095 H1101 L1102	I1094-M1098 HydrophobicContact CG2-SD 4.14Å; I1094-M1098 WeakPolarHBondContact O-CG 3.38Å; I1094-M1098 PolarHBondContact O-N 3.27Å; Q1095-M1098 PolarHBondContact O-N 3.46Å; M1098-H1101 CarbonylContact O-C 3.26Å; M1098-H1101 PolarHBondContact O-N 2.91Å; M1098-L1102 VanDerWaalsContact O-CB 3.29Å; M1098-L1102 WeakPolarHBondContact O-CB 3.4Å; M1098-L1102 WeakPolarHBondContact O-CD1 3.44Å; M1098-L1102 VanDerWaalsContact O-CG 3.24Å; M1098-L1102 WeakPolarHBondContact O-CG 3.15Å; M1098-L1102 PolarHBondContact O-N 3.23Å
1099	E	43	Very low	39.5	Very low	116 Å²	116	87.5 Å²	87.5	54%	0.542	48%	0.475	S	S	.	.	H	α-helix	trans	-69.7	-32.2	175.7	-80.5	-161.3	145.5	0	0	111.7	Q1095 K1103	Q1095-E1099 WeakPolarHBondContact O-CA 3.24Å; Q1095-E1099 WeakPolarHBondContact O-CB 3.33Å; Q1095-E1099 VanDerWaalsContact O-CG 3.32Å; Q1095-E1099 WeakPolarHBondContact O-CG 3.23Å; Q1095-E1099 PolarHBondContact O-N 3.23Å; E1099-K1103 VanDerWaalsContact O-CB 3.25Å; E1099-K1103 WeakPolarHBondContact O-CB 3.25Å; E1099-K1103 PolarHBondContact O-N 3.43Å
1100	R	41.3	Very low	39.4	Very low	168 Å²	168	89.7 Å²	89.7	63%	0.634	50%	0.504	S	S	*	.	H	α-helix	trans	-64.3	-48.5	166.6	-100.6	171.8	-78	-171	-8.9	110.5	A1096 S1097 L1102 K1103 E1104	A1096-R1100 WeakPolarHBondContact O-CB 3.43Å; A1096-R1100 PolarHBondContact O-N 3.22Å; A1096-R1100 PolarHBondContact O-NE 2.81Å; S1097-R1100 PolarHBondContact O-N 3.48Å; R1100-L1102 PolarHBondContact O-N 3.42Å; R1100-K1103 PolarHBondContact O-N 2.99Å; R1100-E1104 PolarHBondContact O-N 3.11Å; R1100-E1104 VanDerWaalsContact O-N 3.11Å
1101	H	43.6	Very low	39	Very low	144 Å²	144	92.3 Å²	92.3	67%	0.667	53%	0.531	S	S	*	.	H	α-helix	trans	-61	-30.4	179.4	-153.1	-20.6	0	0	0	113.1	S1097 M1098	S1097-H1101 WeakPolarHBondContact O-CB 3.42Å; S1097-H1101 PolarHBondContact O-N 3.46Å; M1098-H1101 CarbonylContact O-C 3.26Å; M1098-H1101 PolarHBondContact O-N 2.91Å
1102	L	42.3	Very low	38.4	Very low	94 Å²	94	98 Å²	98	49%	0.492	57%	0.565	S	S	.	*	H	α-helix	trans	-87.8	-32	176.6	-73.1	164.4	0	0	0	113.7	M1098 R1100 Q1105 Q1106	M1098-L1102 VanDerWaalsContact O-CB 3.29Å; M1098-L1102 WeakPolarHBondContact O-CB 3.4Å; M1098-L1102 WeakPolarHBondContact O-CD1 3.44Å; M1098-L1102 VanDerWaalsContact O-CG 3.24Å; M1098-L1102 WeakPolarHBondContact O-CG 3.15Å; M1098-L1102 PolarHBondContact O-N 3.23Å; R1100-L1102 PolarHBondContact O-N 3.42Å; L1102-Q1105 WeakPolarHBondContact O-CB 3.46Å; L1102-Q1105 PolarHBondContact O-N 2.85Å; L1102-Q1106 PolarHBondContact O-N 3.46Å
1103	K	44.8	Very low	37.8	Very low	137 Å²	137	100.3 Å²	100.3	60%	0.596	59%	0.593	S	S	*	*	H	α-helix	trans	-73.9	-32.3	176.8	-92.6	176.5	173.4	159.9	0	113.1	E1099 R1100 Q1105 Q1106 G1107	E1099-K1103 VanDerWaalsContact O-CB 3.25Å; E1099-K1103 WeakPolarHBondContact O-CB 3.25Å; E1099-K1103 PolarHBondContact O-N 3.43Å; R1100-K1103 PolarHBondContact O-N 2.99Å; K1103-Q1105 VanDerWaalsContact C-N 3.32Å; K1103-Q1106 CarbonylContact O-C 3.56Å; K1103-Q1106 WeakPolarHBondContact O-CA 3.38Å; K1103-Q1106 WeakPolarHBondContact O-CB 3.34Å; K1103-Q1106 PolarHBondContact O-N 2.65Å; K1103-G1107 PolarHBondContact O-N 2.72Å
1104	E	40.6	Very low	37.3	Very low	157 Å²	157	101.2 Å²	101.2	73%	0.734	61%	0.61	S	S	*	*	H	α-helix	trans	-76.5	-22.2	174.2	-68.2	-176.1	170.6	0	0	112.1	R1100 Q1106 G1107	R1100-E1104 PolarHBondContact O-N 3.11Å; R1100-E1104 VanDerWaalsContact O-N 3.11Å; E1104-Q1106 PolarHBondContact O-N 2.65Å; E1104-G1107 PolarHBondContact O-N 2.87Å
1105	Q	38.2	Very low	36.8	Very low	140 Å²	140	102.9 Å²	102.9	65%	0.654	63%	0.631	S	S	*	*	H	α-helix	trans	-64.6	-20	160	-82.8	-170.1	-19.6	0	0	113.6	L1102 K1103	L1102-Q1105 WeakPolarHBondContact O-CB 3.46Å; L1102-Q1105 PolarHBondContact O-N 2.85Å; K1103-Q1105 VanDerWaalsContact C-N 3.32Å
1106	Q	39.8	Very low	36.2	Very low	149 Å²	149	102.7 Å²	102.7	70%	0.696	64%	0.639	S	S	*	*	H	α-helix	trans	-95	-11.4	173	-66.2	-179.2	-7.7	0	0	113.3	L1102 K1103 E1104 A1108	L1102-Q1106 PolarHBondContact O-N 3.46Å; K1103-Q1106 CarbonylContact O-C 3.56Å; K1103-Q1106 WeakPolarHBondContact O-CA 3.38Å; K1103-Q1106 WeakPolarHBondContact O-CB 3.34Å; K1103-Q1106 PolarHBondContact O-N 2.65Å; E1104-Q1106 PolarHBondContact O-N 2.65Å; Q1106-A1108 VanDerWaalsContact C-N 3.34Å
1107	G	34.3	Very low	35.6	Very low	66 Å²	66	108 Å²	108	68%	0.68	66%	0.659	S	S	*	*	H	α-helix	trans	-75.7	-17.8	175.2	0	0	0	0	0	114.6	K1103 E1104	K1103-G1107 PolarHBondContact O-N 2.72Å; E1104-G1107 PolarHBondContact O-N 2.87Å
1108	A	33.9	Very low	35.3	Very low	81 Å²	81	109.2 Å²	109.2	67%	0.669	66%	0.656	S	S	*	*	S	Bend	trans	-115.6	2.1	-175	0	0	0	0	0	115.1	Q1106 G1110	Q1106-A1108 VanDerWaalsContact C-N 3.34Å; A1108-G1110 PolarHBondContact O-N 3.24Å
1109	A	35.6	Very low	34.9	Very low	97 Å²	97	107.6 Å²	107.6	80%	0.802	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	50.9	160.1	0	0	0	0	0	110.3
1110	G	35.3	Very low	34.2	Very low	69 Å²	69	106.6 Å²	106.6	71%	0.711	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.9	-19.8	-164	0	0	0	0	0	116.2	A1108	A1108-G1110 PolarHBondContact O-N 3.24Å
1111	A	27.6	Very low	33.6	Very low	87 Å²	87	101 Å²	101	72%	0.719	64%	0.636	S	S	*	*	S	Bend	trans	-159.9	101	168.7	0	0	0	0	0	112.9
1112	V	29.2	Very low	32.7	Very low	142 Å²	142	96.8 Å²	96.8	86%	0.861	63%	0.631	S	S	*	*			trans	11.2	132.7	150.1	-164.3	0	0	0	0	118.5
1113	G	28.2	Very low	32.2	Very low	70 Å²	70	97.3 Å²	97.3	72%	0.722	64%	0.639	S	S	*	*			cis	150.8	154.9	-0.9	0	0	0	0	0	113.1
1114	G	27.4	Very low	31.7	Very low	72 Å²	72	100 Å²	100	74%	0.742	65%	0.65	S	S	*	*			trans	76.2	165.5	170.1	0	0	0	0	0	117.6
1115	A	29.2	Very low	31.3	Very low	84 Å²	84	98.8 Å²	98.8	69%	0.694	66%	0.656	S	S	*	*			cis	-167.9	152.5	-16.2	0	0	0	0	0	111.8
1116	S	28.6	Very low	30.7	Very low	74 Å²	74	94.9 Å²	94.9	52%	0.517	65%	0.653	S	S	.	*			trans	69	110.8	141.4	-68.2	0	0	0	0	121.8	D648	D648-S1116 VanDerWaalsContact OD2-C 3.3Å; D648-S1116 WeakPolarHBondContact OD2-CA 3.22Å; D648-S1116 PolarHBondContact OD2-N 3.23Å
1117	Q	29.6	Very low	30.1	Very low	140 Å²	140	95 Å²	95	65%	0.654	66%	0.664	S	S	*	*				68.1	165.6	115.1	-70.6	-174.1	-72.3	0	0	119.9	D648	D648-Q1117 PolarHBondContact OD2-N 3.25Å
1118	E	30.6	Very low	29.7	Very low	101 Å²	101	96.4 Å²	96.4	47%	0.472	67%	0.67	S	S	.	*			cis	179.4	165.2	-33.6	-156.8	-168.5	147.4	0	0	106
1119	R	30.7	Very low	29.3	Very low	71 Å²	71	97.8 Å²	97.8	27%	0.268	68%	0.681	S	S	.	*			trans	59.5	106.8	163.2	-54.5	-166	-165.7	-143.6	-9.2	118.1	E560 N634	E560-R1119 IonicContact OE1-CZ 3.68Å; E560-R1119 IonicContact OE1-NH1 2.75Å; E560-R1119 PolarHBondContact OE1-NH1 3.47Å; E560-R1119 IonicContact OE2-NH1 3.84Å; N634-R1119 HydrophobicContact CB-CG 4.05Å; N634-R1119 PolarHBondContact O-NH1 3.12Å; N634-R1119 PolarHBondContact O-NH2 3.01Å
1120	T	27.8	Very low	28.9	Very low	96 Å²	96	97.4 Å²	97.4	59%	0.589	68%	0.678	S	S	*	*				85	-165.9	77.7	50.6	0	0	0	0	116.3	E632 N634	E632-T1120 WeakPolarHBondContact CG-OG1 3.45Å; E632-T1120 PolarHBondContact OE1-OG1 3.23Å; N634-T1120 PolarHBondContact ND2-OG1 2.83Å
1121	A	27.8	Very low	28.5	Very low	50 Å²	50	101.2 Å²	101.2	41%	0.413	69%	0.688	S	S	.	*			trans	-75.3	159.7	-144	0	0	0	0	0	115.1	N629 E632	N629-A1121 HydrophobicContact CB-CB 3.77Å; N629-A1121 PolarHBondContact ND2-O 3.2Å; E632-A1121 PolarHBondContact OE2-N 3.42Å
1122	G	25.6	Very low	28.4	Very low	55 Å²	55	101 Å²	101	57%	0.567	69%	0.694	S	S	*	*			cis	139.5	-177.3	14.1	0	0	0	0	0	112.1	N629	N629-G1122 PolarHBondContact ND2-N 3.12Å; N629-G1122 PolarHBondContact ND2-O 3.35Å
1123	T	30.7	Very low	28.3	Very low	106 Å²	106	98.4 Å²	98.4	65%	0.65	70%	0.696	S	S	*	*			trans	63	102	159.4	-39	0	0	0	0	121.3	N629	N629-T1123 WeakPolarHBondContact OD1-CB 3.32Å; N629-T1123 PolarHBondContact OD1-OG1 2.98Å
1124	K	35.3	Very low	28.3	Very low	192 Å²	192	102.1 Å²	102.1	84%	0.835	69%	0.692	S	S	*	*			trans	35.1	137.5	135.2	-58.2	-179.3	-179.6	176.3	0	120.6
1125	P	32.8	Very low	29	Very low	132 Å²	132	103.9 Å²	103.9	86%	0.857	69%	0.69	S	S	*	*				-115.2	178.6	78.4	-1.6	21.9	0	0	0	112.7
1126	G	25.3	Very low	29	Very low	58 Å²	58	108.5 Å²	108.5	60%	0.598	70%	0.698	S	S	*	*			cis	133.3	125.4	-2.3	0	0	0	0	0	112
1127	T	25.7	Very low	29.1	Very low	151 Å²	151	111.8 Å²	111.8	93%	0.926	71%	0.705	S	S	*	*			trans	60.8	167.7	-178.7	73.1	0	0	0	0	117.4
1128	A	26.2	Very low	29.9	Very low	97 Å²	97	109.2 Å²	109.2	80%	0.802	70%	0.7	S	S	*	*				-168.9	136	-53.8	0	0	0	0	0	109.1
1129	A	25.3	Very low	29.9	Very low	110 Å²	110	112.2 Å²	112.2	91%	0.909	71%	0.714	S	S	*	*			trans	-157.5	140.4	165	0	0	0	0	0	110.5
1130	A	27.8	Very low	29.9	Very low	89 Å²	89	116.3 Å²	116.3	74%	0.736	74%	0.736	S	S	*	*			trans	-133.8	158.7	177.1	0	0	0	0	0	110.2
1131	T	27.9	Very low	29.9	Very low	149 Å²	149	119.5 Å²	119.5	91%	0.914	75%	0.746	S	S	*	*				163.1	148.7	127.7	36.6	0	0	0	0	112.4
1132	G	24.8	Very low	30.1	Very low	83 Å²	83	125 Å²	125	86%	0.856	76%	0.764	S	S	*	*			trans	126.4	111.5	155.4	0	0	0	0	0	116.3
1133	G	26	Very low	30.4	Very low	86 Å²	86	128.1 Å²	128.1	89%	0.887	78%	0.777	S	S	*	*			trans	117.5	80.9	157.6	0	0	0	0	0	118.3
1134	K	29.5	Very low	30.5	Very low	148 Å²	148	132.1 Å²	132.1	64%	0.643	79%	0.788	S	S	*	*			trans	-86.5	173.5	145.7	-111.2	-167.7	174.5	-175.8	0	108.2	E1137	K1134-E1137 IonicContact NZ-OE1 2.69Å; K1134-E1137 PolarHBondContact NZ-OE1 3.38Å; K1134-E1137 IonicContact NZ-OE2 2.7Å; K1134-E1137 PolarHBondContact NZ-OE2 3.08Å
1135	P	41.4	Very low	30.2	Very low	109 Å²	109	130.9 Å²	130.9	71%	0.708	79%	0.791	S	S	*	*			cis	-124.8	-166.2	18.4	37.5	-15.2	0	0	0	111.9
1136	E	28.9	Very low	30.4	Very low	182 Å²	182	129.2 Å²	129.2	85%	0.85	79%	0.788	S	S	*	*			cis	-127.5	-166.2	13	-67.6	179.9	126.6	0	0	113
1137	E	31.2	Very low	30.5	Very low	143 Å²	143	130.3 Å²	130.3	67%	0.668	80%	0.799	S	S	*	*			trans	-161	-179.2	-158.6	-128	158.5	-160.6	0	0	107.2	K1134	K1134-E1137 IonicContact NZ-OE1 2.69Å; K1134-E1137 PolarHBondContact NZ-OE1 3.38Å; K1134-E1137 IonicContact NZ-OE2 2.7Å; K1134-E1137 PolarHBondContact NZ-OE2 3.08Å
1138	P	47	Very low	31	Very low	86 Å²	86	133.1 Å²	133.1	56%	0.558	80%	0.802	S	S	*	*			cis	-140.7	-160.2	-6.9	43	-23.6	0	0	0	114.3
1139	E	30.5	Very low	31	Very low	163 Å²	163	131.6 Å²	131.6	76%	0.762	80%	0.795	S	S	*	*			trans	64.5	152.4	148.8	-70.3	149.9	-157.2	0	0	119.5
1140	E	29.3	Very low	31.2	Very low	157 Å²	157	134.1 Å²	134.1	73%	0.734	79%	0.794	S	S	*	*			cis	-150.4	137.1	-6.8	-116.1	167.4	-174.7	0	0	107.3
1141	M	29.5	Very low	31.2	Very low	163 Å²	163	134 Å²	134	80%	0.803	79%	0.792	S	S	*	*				88	164.6	80.2	-158.6	166.5	-159.8	0	0	114.9
1142	E	31.3	Very low	31.3	Very low	166 Å²	166	132 Å²	132	78%	0.776	78%	0.784	S	S	*	*			trans	-81.8	156.7	-163.3	-57.2	163.1	100.1	0	0	114.5
1143	S	31.4	Very low	31.6	Very low	121 Å²	121	136.8 Å²	136.8	85%	0.846	79%	0.785	S	S	*	*				171.2	-162.6	118.9	52.5	0	0	0	0	111.9
1144	Q	32.2	Very low	32.9	Very low	190 Å²	190	137.5 Å²	137.5	89%	0.888	77%	0.774	S	S	*	*			trans	-122.3	169.9	-154.8	-60.5	171.8	-75.1	0	0	114.2
1145	D	30.4	Very low	32.8	Very low	166 Å²	166	138.3 Å²	138.3	89%	0.888	78%	0.782	S	S	*	*			trans	106.1	161.7	141.3	-133.9	-15.5	0	0	0	118.5
1146	A	36.8	Very low	32.1	Very low	97 Å²	97	139 Å²	139	80%	0.802	78%	0.779	S	S	*	*			trans	-106.6	154.2	-150.4	0	0	0	0	0	116.2
1147	G	28.1	Very low	32.2	Very low	80 Å²	80	138.4 Å²	138.4	83%	0.825	78%	0.776	S	S	*	*			trans	-161.7	140.7	169.4	0	0	0	0	0	112.1
1148	Q	34.5	Very low	32.3	Very low	210 Å²	210	141.1 Å²	141.1	98%	0.981	81%	0.811	S	S	*	*			trans	-109.3	159.3	-175.7	-69.6	-177.8	-31.2	0	0	113.5
1149	G	27.9	Very low	31.5	Very low	65 Å²	65	143.9 Å²	143.9	67%	0.67	82%	0.824	S	S	*	*			trans	128.2	108.8	154.8	0	0	0	0	0	113.6
1150	N	28.5	Very low	31.6	Very low	164 Å²	164	142.8 Å²	142.8	88%	0.877	83%	0.827	S	S	*	*				-167.7	161.5	57.9	-91	-33.9	0	0	0	114.4
1151	A	28.1	Very low	31.7	Very low	85 Å²	85	142.1 Å²	142.1	70%	0.702	83%	0.832	S	S	*	*			trans	30.2	89.7	145.8	0	0	0	0	0	120.7
1152	S	29.1	Very low	31.9	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	83%	0.834	S	S	*	*				36.4	144.4	113.8	62.4	0	0	0	0	123.4
1153	E	31.2	Very low	31.9	Very low	184 Å²	184	139.3 Å²	139.3	86%	0.86	84%	0.838	S	S	*	*			trans	92.8	149.2	147.7	-88.9	-167	-165.7	0	0	119.4
1154	P	54.2	Low	31.9	Very low	102 Å²	102	140.5 Å²	140.5	66%	0.662	84%	0.837	S	S	*	*				-140.6	-170	-108.9	39.8	-18.6	0	0	0	116.7
1155	M	27.2	Very low	31.9	Very low	164 Å²	164	136.9 Å²	136.9	81%	0.808	83%	0.833	S	S	*	*			trans	74.1	160.7	170.4	-49.5	-163.2	-50.5	0	0	114.3
1156	D	27.9	Very low	32	Very low	123 Å²	123	134.7 Å²	134.7	66%	0.658	83%	0.829	S	S	*	*			cis	-144.3	179.4	11.9	-147	-12.7	0	0	0	114
1157	H	29.8	Very low	31.6	Very low	170 Å²	170	137.8 Å²	137.8	79%	0.787	83%	0.831	S	S	*	*			trans	-46.2	142	-174.6	-69.9	-76.8	0	0	0	118.6
1158	S	33.3	Very low	32	Very low	200 Å²	200	143.1 Å²	143.1	100%	1.399	83%	0.832	S	S	*	*				-155.2	0	126.2	-75.3	0	0	0	0	110.6

Retrieved 1,158 of 1,158 residues in 1765 ms (Link to these results)

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