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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 (A0A2K5UVH7), UniProt , Accession A0A096MX02, Species PAPAN (Papio anubis, Olive baboon), Gene VCPIP1, Length 1,221 aa.

						>A0A096MX02_PAPAN|A0A096MX02|VCPIP1
MSQPPPPPPLPPPPPPPEAPQTPSSLASAAASGGLLKRRDRRILSGSCPDPKCQARLFFPASGSVSIECTECGQRHEQQQLLGVEEVTDPDVVLHNLLRNALLGVTGAPKKNTELVKVMGLSNYHCKLLSPILARYGMDKQTGRAKLLRDMNQGELFDCALLGDRAFLIEPEHVNTVGYGKDRSGSLLYLHDTLEDIKRANKSQECLIPVHVDGDGHCLVHAVSRALVGRELFWHALRENLKQHFQQHLARYQALFHDFIDAAEWEDIINECDPLFVPPEGVPLGLRNIHIFGLANVLHRPIILLDSLSGMRSSGDYSATFLPGLIPAEKCTGKDGHLNKPICIAWSSSGRNHYIPLVGIKGAALPKLPMNLLPKAWGVPQDLIKKYIKLEEDGGCVIGGDRSLQDKYLLRLVAAMEEVFMDKHGIHPSLVADVHQYFYRRTGVIGVQPEEVTAAAKKAVMDNRLHKCLLCGALSELHVPPEWLAPGGKLYNLAKSTHGQLRTDKNYSFPLNNLVCSYDSVKDVLVPDYGLSNLTACNWCHGTSVRKVRGDGSIVYLDGDRTNSRSTGGKCGCGFKHFWDGKEYDNLPEAFPITLEWGGRVVRETVYWFQYESDSSLNSNVYDVAMKLVTKHFPGEFGSEILVQKVVHTILHQTAKKNPDDYTPVNIDGAHAQRVGDVQGQESESQLPTKIILTGQKTKTLHKEELNMSKTERTIQQNITEQASVMQKRKTEKLKQEQKGQPRTVSPSTIRDGPSSAPATPTKAPYSPTTSKEKKIRITTNDGRQSMVTLKSSTTFFELQESIAREFNIPPYLQCIRYGFPPKELMPPQAGMEKEPVPLQHGDRITIEILKSKAEGGQSAAAHSAHTVKQEDIAVTGKLSSKELQEQAEKEMYSLCLLATLMGEDVWSYAKGLPHMFQQGGVFYSIMKKTMGMADGKHCTFPHLPGKTFVYNASEDRLELCVDAAGHFPIGPDVEDLVKEAVSQVRAEATTRSRESSPSHGLLKLGSGGVVKKKSEQLHNVTAFQGKGHSLGTASGNPHLDPRARETSVVRKHNTGTDFSNSSTKTEPSVFTASSSNSELIRIAPGVVTMRDGRQLDPDLVEAQRKKLQEMVSSIQASMDRHLRDQSTEQSPSDLPQRKIEVVSSSAKSGSLQTGLPESFPLTGGTENLNTETTDGCVADALGAAFATRSKAQRGNSVEELEEMDSQDAEMTNTTEPMDHS
					

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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	35.6	Very low	46.9	Very low	239 Å²	239	138.8 Å²	138.8	100%	1.177	82%	0.823	S	S	*	*				0	139	0	-62.1	171.5	176.6	0	0	107.8
2	S	37.4	Very low	47.2	Very low	115 Å²	115	137.3 Å²	137.3	80%	0.804	82%	0.819	S	S	*	*			cis	-160.5	144.1	-24	-73	0	0	0	0	107.6
3	Q	44	Very low	47.3	Very low	187 Å²	187	135.8 Å²	135.8	87%	0.874	82%	0.815	S	S	*	*			trans	-74.4	164.8	163.2	-75.8	-176.1	-7.3	0	0	109.5
4	P	47	Very low	47.1	Very low	118 Å²	118	135.1 Å²	135.1	77%	0.766	82%	0.815	S	S	*	*			cis	-146.7	-133.1	39.7	37.3	-10.7	0	0	0	113.9
5	P	47.3	Very low	46.8	Very low	109 Å²	109	133.5 Å²	133.5	71%	0.708	81%	0.809	S	S	*	*				-116.5	176.9	-71.2	26.7	-7.2	0	0	0	114.1
6	P	51.4	Low	46.4	Very low	119 Å²	119	132.6 Å²	132.6	77%	0.773	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-91.4	156.3	177.8	36.1	-35.9	0	0	0	115.7
7	P	53.1	Low	45.8	Very low	120 Å²	120	132.1 Å²	132.1	78%	0.779	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-78.7	168.7	166	-14	31.2	0	0	0	114.6
8	P	52.8	Low	45.1	Very low	116 Å²	116	135.8 Å²	135.8	75%	0.753	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-93.4	165.5	-164.8	37.2	-37.2	0	0	0	116
9	P	48	Very low	44.4	Very low	125 Å²	125	133.3 Å²	133.3	81%	0.812	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-77.7	156.2	176.3	32.9	-36.7	0	0	0	113.8
10	L	51.2	Low	44	Very low	165 Å²	165	133.3 Å²	133.3	86%	0.864	81%	0.812	S	S	*	*			trans	-110.3	146.7	171	-76.9	168	0	0	0	111.3
11	P	48.4	Very low	43.4	Very low	114 Å²	114	135.6 Å²	135.6	74%	0.74	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-82.9	161.8	-174.8	33.8	-36.5	0	0	0	114.2
12	P	50.8	Low	43.4	Very low	120 Å²	120	130.7 Å²	130.7	78%	0.779	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-97.9	151	-169.4	37	-35.6	0	0	0	115.4
13	P	47.8	Very low	43.2	Very low	118 Å²	118	131.3 Å²	131.3	77%	0.766	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-92.4	164.1	154.4	35.6	-30.2	0	0	0	112.3
14	P	44.6	Very low	42.5	Very low	126 Å²	126	127.6 Å²	127.6	82%	0.818	79%	0.794	S	S	*	*			trans	-107.5	-163.9	-162.9	44.7	-38.5	0	0	0	114.3
15	P	42.9	Very low	41.6	Very low	111 Å²	111	127.6 Å²	127.6	72%	0.721	80%	0.796	S	S	*	*	P	Polyproline II helix		-84.4	163.7	-110.8	39.8	-27.2	0	0	0	115.5
16	P	39.4	Very low	40.9	Very low	120 Å²	120	130.6 Å²	130.6	78%	0.779	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-83.6	144.3	-179.5	33.6	-35.1	0	0	0	113.7
17	P	36.8	Very low	39.6	Very low	124 Å²	124	129.2 Å²	129.2	81%	0.805	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-81.4	151.6	159.1	33.4	-31.6	0	0	0	111.8
18	E	33.4	Very low	38.3	Very low	198 Å²	198	129.5 Å²	129.5	93%	0.925	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-53.7	150.1	-165.3	-61.2	162.3	117.8	0	0	117.3
19	A	32.2	Very low	37	Very low	88 Å²	88	128.5 Å²	128.5	73%	0.727	81%	0.81	S	S	*	*			trans	-114.4	131.6	166.2	0	0	0	0	0	110.5
20	P	34.9	Very low	36.3	Very low	134 Å²	134	127.7 Å²	127.7	87%	0.87	81%	0.814	S	S	*	*			trans	-82.3	116.6	173.2	31.3	-31.2	0	0	0	110.8
21	Q	31.9	Very low	35.3	Very low	182 Å²	182	124.2 Å²	124.2	85%	0.85	81%	0.809	S	S	*	*			trans	-107.2	150.7	163.7	-70.5	-169.3	-2.1	0	0	110.6
22	T	37	Very low	34.3	Very low	136 Å²	136	124.9 Å²	124.9	83%	0.834	82%	0.817	S	S	*	*			trans	-69.8	156.3	173.7	48.6	0	0	0	0	111.1
23	P	32.7	Very low	33.1	Very low	128 Å²	128	122.4 Å²	122.4	83%	0.831	81%	0.813	S	S	*	*				-141.8	173.1	114.3	38.2	-26.5	0	0	0	113.8
24	S	28.1	Very low	32.4	Very low	109 Å²	109	121 Å²	121	76%	0.762	82%	0.819	S	S	*	*			trans	-114.1	150.7	174.3	55.9	0	0	0	0	111.5
25	S	28.8	Very low	31.7	Very low	118 Å²	118	122.7 Å²	122.7	83%	0.825	82%	0.821	S	S	*	*			trans	154.6	167.8	136.2	57.5	0	0	0	0	113
26	L	32	Very low	31.4	Very low	172 Å²	172	125.7 Å²	125.7	90%	0.901	83%	0.83	S	S	*	*			trans	-88	148	-171.4	-53.7	79.2	0	0	0	111.9
27	A	25	Very low	31.3	Very low	89 Å²	89	129.4 Å²	129.4	74%	0.736	83%	0.834	S	S	*	*				179.5	134.5	123	0	0	0	0	0	113.5
28	S	25.4	Very low	31.5	Very low	127 Å²	127	135.2 Å²	135.2	89%	0.888	84%	0.84	S	S	*	*			trans	64.2	157.7	166.2	78.3	0	0	0	0	116.8
29	A	25.7	Very low	32.4	Very low	95 Å²	95	132 Å²	132	79%	0.785	82%	0.819	S	S	*	*			cis	-124.8	146.5	6.8	0	0	0	0	0	113.5
30	A	33.4	Very low	33.7	Very low	108 Å²	108	130.6 Å²	130.6	89%	0.893	80%	0.799	S	S	*	*			trans	-99.8	105.1	166.3	0	0	0	0	0	109.4
31	A	29.7	Very low	34.9	Very low	92 Å²	92	133 Å²	133	76%	0.76	79%	0.791	S	S	*	*			trans	-163.8	83.2	169.3	0	0	0	0	0	111
32	S	28.8	Very low	36.8	Very low	128 Å²	128	129.8 Å²	129.8	90%	0.895	77%	0.771	S	S	*	*			trans	-156.7	134.3	161.2	-80.4	0	0	0	0	109
33	G	24.5	Very low	38.6	Very low	67 Å²	67	123.9 Å²	123.9	69%	0.691	73%	0.734	S	S	*	*			trans	-66.1	160.9	-171.2	0	0	0	0	0	114.5	L35	G33-L35 PolarHBondContact O-N 3.5Å; G33-L35 VanDerWaalsContact O-N 3.1Å
34	G	32.8	Very low	40.8	Very low	88 Å²	88	119.2 Å²	119.2	91%	0.907	70%	0.702	S	S	*	*			trans	-63	109.6	-177.7	0	0	0	0	0	113.2
35	L	30.7	Very low	43.3	Very low	163 Å²	163	114 Å²	114	85%	0.853	67%	0.666	S	S	*	*			trans	-105.1	124.6	159.3	-84.4	162.7	0	0	0	108.4	G33 K37	G33-L35 PolarHBondContact O-N 3.5Å; G33-L35 VanDerWaalsContact O-N 3.1Å; L35-K37 PolarHBondContact O-N 2.99Å; L35-K37 VanDerWaalsContact O-N 3.12Å
36	L	36.3	Very low	45.8	Very low	173 Å²	173	108.5 Å²	108.5	91%	0.906	63%	0.627	S	S	*	*			trans	-53.2	117.8	173.2	-76	157.8	0	0	0	109.1	R38	L36-R38 PolarHBondContact O-N 3Å
37	K	37	Very low	48.3	Very low	199 Å²	199	101.1 Å²	101.1	87%	0.865	59%	0.59	S	S	*	*			trans	-58.7	106.4	174.3	-78.2	-173.4	176.1	-177.9	0	108.5	L35 R39	L35-K37 PolarHBondContact O-N 2.99Å; L35-K37 VanDerWaalsContact O-N 3.12Å; K37-R39 PolarHBondContact O-N 2.87Å
38	R	41.4	Very low	51.2	Low	245 Å²	245	96.9 Å²	96.9	93%	0.925	56%	0.555	S	S	*	*			trans	-54.9	112.8	164.3	-77	-176.3	171.3	-177.3	-2.6	107	L36 D40	L36-R38 PolarHBondContact O-N 3Å; R38-D40 PolarHBondContact O-N 2.8Å
39	R	51.4	Low	54.2	Low	131 Å²	131	92.7 Å²	92.7	49%	0.494	53%	0.525	S	S	.	.			trans	-56.1	131.7	178	-74	176.2	168.6	135.1	-1.8	108.8	K37 R41 M902 G903 E904	K37-R39 PolarHBondContact O-N 2.87Å; R39-R41 PolarHBondContact O-N 2.81Å; R39-M902 PolarHBondContact NH1-O 3.46Å; R39-G903 PolarHBondContact NH1-O 2.99Å; R39-G903 VanDerWaalsContact NH1-O 3.17Å; R39-G903 PolarHBondContact NH2-O 3.42Å; R39-E904 IonicContact NH1-OE1 3.36Å
40	D	59.6	Low	57.1	Low	58 Å²	58	88.4 Å²	88.4	31%	0.31	49%	0.489	S	S	.	.			trans	-69.9	106	176.7	-169.1	-11.6	0	0	0	108.5	R38 R42 A61 S62	R38-D40 PolarHBondContact O-N 2.8Å; D40-R42 VanDerWaalsContact C-N 3.28Å; D40-R42 PolarHBondContact O-N 3.24Å; D40-R42 WeakPolarHBondContact OD1-CB 3.45Å; D40-R42 VanDerWaalsContact OD1-CG 3.23Å; D40-R42 WeakPolarHBondContact OD1-CG 3.17Å; D40-R42 IonicContact OD1-CZ 3.64Å; D40-R42 PolarHBondContact OD1-N 2.91Å; D40-R42 IonicContact OD1-NE 3.27Å; D40-R42 PolarHBondContact OD1-NE 2.91Å; D40-R42 IonicContact OD2-CZ 3.89Å; D40-R42 VanDerWaalsContact OD2-CZ 3.31Å; D40-R42 IonicContact OD2-NE 2.85Å; D40-R42 PolarHBondContact OD2-NE 2.99Å; D40-R42 IonicContact OD2-NH2 2.7Å; D40-R42 PolarHBondContact OD2-NH2 3.29Å; D40-A61 HydrophobicContact CB-CB 4.39Å; D40-S62 PolarHBondContact N-OG 3.17Å; D40-S62 PolarHBondContact O-OG 3.45Å
41	R	60.7	Low	59.5	Low	184 Å²	184	87 Å²	87	69%	0.694	47%	0.471	S	S	*	.			trans	-82.2	-2.4	-174.1	-80.2	-176	160.6	-173.2	-8.4	113.5	R39	R39-R41 PolarHBondContact O-N 2.81Å
42	R	71.7	Confident	62.2	Low	115 Å²	115	89.1 Å²	89.1	43%	0.434	46%	0.463	S	S	.	.			trans	-64.7	144.8	178.5	-61.8	175	-51.3	136.9	-3.7	109.9	D40 A61 E86	D40-R42 VanDerWaalsContact C-N 3.28Å; D40-R42 PolarHBondContact O-N 3.24Å; D40-R42 WeakPolarHBondContact OD1-CB 3.45Å; D40-R42 VanDerWaalsContact OD1-CG 3.23Å; D40-R42 WeakPolarHBondContact OD1-CG 3.17Å; D40-R42 IonicContact OD1-CZ 3.64Å; D40-R42 PolarHBondContact OD1-N 2.91Å; D40-R42 IonicContact OD1-NE 3.27Å; D40-R42 PolarHBondContact OD1-NE 2.91Å; D40-R42 IonicContact OD2-CZ 3.89Å; D40-R42 VanDerWaalsContact OD2-CZ 3.31Å; D40-R42 IonicContact OD2-NE 2.85Å; D40-R42 PolarHBondContact OD2-NE 2.99Å; D40-R42 IonicContact OD2-NH2 2.7Å; D40-R42 PolarHBondContact OD2-NH2 3.29Å; R42-A61 HydrophobicContact CB-CB 4.31Å; R42-A61 WeakPolarHBondContact O-CB 3.22Å; R42-A61 PolarHBondContact O-N 3.37Å; R42-E86 HydrophobicContact CB-CG 4.35Å; R42-E86 VanDerWaalsContact CD-OE1 3.27Å; R42-E86 WeakPolarHBondContact CD-OE1 3.16Å; R42-E86 WeakPolarHBondContact CD-OE2 3.38Å; R42-E86 WeakPolarHBondContact CG-OE1 3.35Å; R42-E86 IonicContact CZ-OE2 3.31Å; R42-E86 IonicContact NE-OE2 3.85Å; R42-E86 IonicContact NH1-OE2 3.13Å; R42-E86 PolarHBondContact NH1-OE2 2.8Å
43	I	74.1	Confident	64.9	Low	13 Å²	13	84.5 Å²	84.5	7%	0.067	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.1	174.7	-61.6	-164.9	0	0	0	108.5	V87 V93 L97	I43-V87 HydrophobicContact CG2-CG2 4.34Å; I43-V87 PolarHBondContact O-N 3.31Å; I43-V93 HydrophobicContact CB-CG2 4.23Å; I43-V93 HydrophobicContact CD1-CB 4.48Å; I43-V93 HydrophobicContact CD1-CG1 3.9Å; I43-V93 HydrophobicContact CD1-CG2 4.36Å; I43-V93 HydrophobicContact CG1-CG2 4.5Å; I43-L97 HydrophobicContact CD1-CD1 3.8Å; I43-L97 HydrophobicContact CD1-CD2 3.82Å; I43-L97 HydrophobicContact CD1-CG 3.44Å; I43-L97 VanDerWaalsContact CD1-CG 3.44Å
44	L	79.3	Confident	67.6	Low	30 Å²	30	85.6 Å²	85.6	16%	0.157	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	146.8	173.3	-53.6	179.5	0	0	0	108.3	F58 F59 A61 V84 E85 E86	L44-F58 WeakPolarHBondContact O-CA 3.45Å; L44-F59 HydrophobicContact CB-CD2 4.01Å; L44-F59 HydrophobicContact CB-CE1 4.2Å; L44-F59 HydrophobicContact CB-CE2 3.59Å; L44-F59 HydrophobicContact CB-CZ 3.7Å; L44-F59 HydrophobicContact CD1-CD2 4.49Å; L44-F59 HydrophobicContact CD1-CE2 3.82Å; L44-F59 HydrophobicContact CD1-CZ 4.44Å; L44-F59 HydrophobicContact CG-CE2 4.26Å; L44-F59 PolarHBondContact N-O 2.93Å; L44-F59 WeakPolarHBondContact O-CD1 3.41Å; L44-F59 PolarHBondContact O-N 2.68Å; L44-A61 HydrophobicContact CD1-CB 4.04Å; L44-A61 HydrophobicContact CG-CB 4.04Å; L44-V84 HydrophobicContact CB-CG1 3.98Å; L44-V84 HydrophobicContact CD1-CG1 3.94Å; L44-V84 HydrophobicContact CG-CG1 4.4Å; L44-E85 CarbonylContact C-O 3.48Å; L44-E85 WeakPolarHBondContact CA-O 3.06Å; L44-E86 HydrophobicContact CD2-CB 4.16Å
45	S	80.4	Confident	69.8	Low	0 Å²	0	82.3 Å²	82.3	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	151.1	161.5	80.4	0	0	0	0	109.6	R56 L57 V84 E85	S45-R56 PolarHBondContact OG-NE 3.49Å; S45-R56 PolarHBondContact OG-NH2 2.79Å; S45-L57 CarbonylContact C-O 3.28Å; S45-L57 WeakPolarHBondContact CA-O 3.43Å; S45-L57 WeakPolarHBondContact CB-O 3.3Å; S45-V84 CarbonylContact O-C 3.59Å; S45-V84 VanDerWaalsContact O-CA 3.3Å; S45-V84 WeakPolarHBondContact O-CA 3.45Å; S45-E85 PolarHBondContact N-O 2.83Å; S45-E85 PolarHBondContact O-N 3.49Å; S45-E85 WeakPolarHBondContact OG-CG 3.16Å
46	G	81.7	Confident	71.8	Confident	1 Å²	1	78.6 Å²	78.6	1%	0.01	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	154.1	177.3	0	0	0	0	0	110.7	L57	G46-L57 PolarHBondContact N-O 3.24Å; G46-L57 PolarHBondContact O-N 2.98Å
47	S	84.9	Confident	73.8	Confident	18 Å²	18	70.8 Å²	70.8	13%	0.126	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	140.6	-177.2	-51.4	0	0	0	0	111.3	A55 L82	S47-A55 WeakPolarHBondContact CA-O 3.35Å; S47-L82 WeakPolarHBondContact CB-O 3.36Å; S47-L82 PolarHBondContact N-O 2.86Å; S47-L82 PolarHBondContact O-N 3.42Å; S47-L82 PolarHBondContact OG-O 3.4Å
48	C	86.1	Confident	75.5	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	28%	0.28	C	S	.	.			trans	-55.2	131.5	169	175.1	0	0	0	0	110.4	D50 C53 Q54 A55 C72 H76	C48-D50 VanDerWaalsContact C-N 3.31Å; C48-D50 PolarHBondContact O-N 2.95Å; C48-C53 HydrophobicContact CB-CB 4.41Å; C48-Q54 WeakPolarHBondContact O-CA 3.15Å; C48-A55 PolarHBondContact N-O 3.44Å; C48-C72 VanDerWaalsContact SG-SG 3.65Å; C48-H76 PolarHBondContact SG-NE2 3.25Å
49	P	87.3	Confident	77.1	Confident	39 Å²	39	51.5 Å²	51.5	25%	0.253	24%	0.238	S	C	.	.	S	Bend	trans	-72	-18.4	-177.9	27.8	-36	0	0	0	114.5	P51 H76 L82	P49-P51 VanDerWaalsContact O-CD 3.23Å; P49-P51 WeakPolarHBondContact O-CD 3.17Å; P49-H76 WeakPolarHBondContact CG-ND1 3.44Å; P49-L82 HydrophobicContact CB-CD1 4.36Å; P49-L82 HydrophobicContact CB-CG 4.18Å
50	D	86.9	Confident	78.2	Confident	5 Å²	5	48 Å²	48	3%	0.027	23%	0.232	C	C	.	.			trans	-60.6	118.6	177	179.2	-61	0	0	0	110.2	C48 K52 C53 Q54 Q74 M119	C48-D50 VanDerWaalsContact C-N 3.31Å; C48-D50 PolarHBondContact O-N 2.95Å; D50-K52 PolarHBondContact O-N 2.9Å; D50-K52 VanDerWaalsContact O-N 3.08Å; D50-K52 WeakPolarHBondContact OD1-CA 3.2Å; D50-K52 WeakPolarHBondContact OD1-CB 3.4Å; D50-K52 PolarHBondContact OD1-N 2.78Å; D50-C53 HydrophobicContact CB-CB 3.89Å; D50-C53 PolarHBondContact O-N 3.15Å; D50-C53 PolarHBondContact OD1-N 2.81Å; D50-C53 VanDerWaalsContact OD1-N 3.1Å; D50-Q54 PolarHBondContact O-N 3.1Å; D50-Q74 PolarHBondContact OD2-NE2 3.24Å; D50-M119 PolarHBondContact OD2-N 2.67Å
51	P	84.9	Confident	78.9	Confident	78 Å²	78	46.4 Å²	46.4	51%	0.506	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.5	-174.9	-26	35.1	0	0	0	115.7	P49 M119	P49-P51 VanDerWaalsContact O-CD 3.23Å; P49-P51 WeakPolarHBondContact O-CD 3.17Å; P51-M119 HydrophobicContact CG-SD 4.13Å
52	K	86.4	Confident	79	Confident	137 Å²	137	40.6 Å²	40.6	60%	0.596	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	-5.4	175.4	-73.7	-70	-165.7	169.3	0	112.8	D50	D50-K52 PolarHBondContact O-N 2.9Å; D50-K52 VanDerWaalsContact O-N 3.08Å; D50-K52 WeakPolarHBondContact OD1-CA 3.2Å; D50-K52 WeakPolarHBondContact OD1-CB 3.4Å; D50-K52 PolarHBondContact OD1-N 2.78Å
53	C	85.2	Confident	78.5	Confident	30 Å²	30	36.6 Å²	36.6	20%	0.203	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-63.7	175.4	-176.2	0	0	0	0	112.3	C48 D50 A55 C72	C48-C53 HydrophobicContact CB-CB 4.41Å; D50-C53 HydrophobicContact CB-CB 3.89Å; D50-C53 PolarHBondContact O-N 3.15Å; D50-C53 PolarHBondContact OD1-N 2.81Å; D50-C53 VanDerWaalsContact OD1-N 3.1Å; C53-A55 PolarHBondContact O-N 2.88Å; C53-C72 HydrophobicContact CB-CB 3.95Å
54	Q	81.5	Confident	77.7	Confident	91 Å²	91	40 Å²	40	43%	0.425	23%	0.234	S	C	.	.			trans	45.8	21.1	-176.4	-60	-166.6	-12	0	0	116.6	C48 D50	C48-Q54 WeakPolarHBondContact O-CA 3.15Å; D50-Q54 PolarHBondContact O-N 3.1Å
55	A	77.8	Confident	77.3	Confident	19 Å²	19	43.3 Å²	43.3	16%	0.157	26%	0.256	C	S	.	.			trans	-64.4	134.8	-177.4	0	0	0	0	0	111.3	S47 C48 C53 L57 E71	S47-A55 WeakPolarHBondContact CA-O 3.35Å; C48-A55 PolarHBondContact N-O 3.44Å; C53-A55 PolarHBondContact O-N 2.88Å; A55-L57 PolarHBondContact O-N 3.26Å; A55-E71 HydrophobicContact CB-CB 4.08Å; A55-E71 HydrophobicContact CB-CG 3.64Å
56	R	74.4	Confident	77.2	Confident	84 Å²	84	44.9 Å²	44.9	32%	0.317	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	113.7	175.9	-165	179.8	-166.7	179.4	7.5	109.5	S45 F58 E85	S45-R56 PolarHBondContact OG-NE 3.49Å; S45-R56 PolarHBondContact OG-NH2 2.79Å; R56-F58 HydrophobicContact CG-CE2 4.23Å; R56-F58 HydrophobicContact CG-CZ 4.18Å; R56-E85 IonicContact CZ-OE1 2.77Å; R56-E85 IonicContact NE-OE1 2.68Å; R56-E85 VanDerWaalsContact NH2-CD 3.28Å; R56-E85 IonicContact NH2-OE1 3.93Å; R56-E85 PolarHBondContact NH2-OE1 2.81Å; R56-E85 IonicContact NH2-OE2 3.79Å
57	L	76.6	Confident	77.1	Confident	9 Å²	9	45.8 Å²	45.8	5%	0.047	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	148.5	177.5	-53.2	180	0	0	0	109.3	S45 G46 A55 I67 C69 L81	S45-L57 CarbonylContact C-O 3.28Å; S45-L57 WeakPolarHBondContact CA-O 3.43Å; S45-L57 WeakPolarHBondContact CB-O 3.3Å; G46-L57 PolarHBondContact N-O 3.24Å; G46-L57 PolarHBondContact O-N 2.98Å; A55-L57 PolarHBondContact O-N 3.26Å; L57-I67 HydrophobicContact CD1-CG2 4.03Å; L57-C69 HydrophobicContact CD1-CB 3.95Å; L57-C69 HydrophobicContact CD2-CB 4.25Å; L57-L81 HydrophobicContact CD1-CD2 4.04Å
58	F	74.5	Confident	77	Confident	32 Å²	32	48.2 Å²	48.2	14%	0.14	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.6	179.2	-65.3	-92.9	0	0	0	109	L44 R56 V87 V92 N96 N100	L44-F58 WeakPolarHBondContact O-CA 3.45Å; R56-F58 HydrophobicContact CG-CE2 4.23Å; R56-F58 HydrophobicContact CG-CZ 4.18Å; F58-V87 HydrophobicContact CD1-CG2 3.99Å; F58-V87 HydrophobicContact CE1-CG2 4.03Å; F58-V92 HydrophobicContact CE1-CG1 3.89Å; F58-V92 HydrophobicContact CZ-CG1 4.3Å; F58-N96 HydrophobicContact CB-CB 3.85Å; F58-N96 HydrophobicContact CD1-CB 4.11Å; F58-N96 HydrophobicContact CD2-CB 4.04Å; F58-N96 HydrophobicContact CG-CB 3.73Å; F58-N100 PolarHBondContact O-ND2 3.29Å
59	F	74.3	Confident	76.8	Confident	7 Å²	7	48.2 Å²	48.2	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	145.3	-172.3	54.5	-82.6	0	0	0	112.5	L44 I67 Q78 L81 V84	L44-F59 HydrophobicContact CB-CD2 4.01Å; L44-F59 HydrophobicContact CB-CE1 4.2Å; L44-F59 HydrophobicContact CB-CE2 3.59Å; L44-F59 HydrophobicContact CB-CZ 3.7Å; L44-F59 HydrophobicContact CD1-CD2 4.49Å; L44-F59 HydrophobicContact CD1-CE2 3.82Å; L44-F59 HydrophobicContact CD1-CZ 4.44Å; L44-F59 HydrophobicContact CG-CE2 4.26Å; L44-F59 PolarHBondContact N-O 2.93Å; L44-F59 WeakPolarHBondContact O-CD1 3.41Å; L44-F59 PolarHBondContact O-N 2.68Å; F59-I67 HydrophobicContact CB-CD1 3.56Å; F59-I67 HydrophobicContact CB-CG1 4.13Å; F59-I67 HydrophobicContact CD1-CD1 3.53Å; F59-I67 HydrophobicContact CD2-CD1 3.55Å; F59-I67 HydrophobicContact CE1-CD1 4.03Å; F59-I67 HydrophobicContact CE2-CD1 4.01Å; F59-I67 HydrophobicContact CG-CD1 3.27Å; F59-I67 HydrophobicContact CG-CG1 4.35Å; F59-I67 HydrophobicContact CZ-CD1 4.23Å; F59-Q78 HydrophobicContact CD2-CG 3.89Å; F59-Q78 HydrophobicContact CE2-CB 4.08Å; F59-Q78 HydrophobicContact CE2-CG 3.67Å; F59-L81 HydrophobicContact CD1-CD1 4.09Å; F59-L81 HydrophobicContact CE1-CD1 3.41Å; F59-L81 VanDerWaalsContact CE1-CD1 3.41Å; F59-L81 HydrophobicContact CZ-CD1 3.73Å; F59-V84 HydrophobicContact CZ-CG1 3.93Å; F59-V84 HydrophobicContact CZ-CG2 4.35Å
60	P	73.9	Confident	76.2	Confident	58 Å²	58	49.1 Å²	49.1	38%	0.377	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	139.9	176.6	27.3	-30.1	0	0	0	111.6	S62 G63	P60-S62 PolarHBondContact O-N 2.98Å; P60-G63 WeakPolarHBondContact O-CA 3.45Å; P60-G63 PolarHBondContact O-N 3.28Å
61	A	73.7	Confident	75.8	Confident	25 Å²	25	52.7 Å²	52.7	21%	0.207	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.5	-176.1	0	0	0	0	0	114	D40 R42 L44	D40-A61 HydrophobicContact CB-CB 4.39Å; R42-A61 HydrophobicContact CB-CB 4.31Å; R42-A61 WeakPolarHBondContact O-CB 3.22Å; R42-A61 PolarHBondContact O-N 3.37Å; L44-A61 HydrophobicContact CD1-CB 4.04Å; L44-A61 HydrophobicContact CG-CB 4.04Å
62	S	63.6	Low	75.8	Confident	62 Å²	62	49.2 Å²	49.2	43%	0.434	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	20	172.5	59.6	0	0	0	0	114.1	D40 P60	D40-S62 PolarHBondContact N-OG 3.17Å; D40-S62 PolarHBondContact O-OG 3.45Å; P60-S62 PolarHBondContact O-N 2.98Å
63	G	61.2	Low	75.7	Confident	31 Å²	31	42.9 Å²	42.9	32%	0.32	25%	0.252	S	S	.	.	S	Bend	trans	-81.1	-165.6	-179.2	0	0	0	0	0	115.5	P60 V65	P60-G63 WeakPolarHBondContact O-CA 3.45Å; P60-G63 PolarHBondContact O-N 3.28Å; G63-V65 PolarHBondContact O-N 2.94Å
64	S	58.2	Low	75.8	Confident	84 Å²	84	41.7 Å²	41.7	59%	0.587	24%	0.244	S	C	*	.			trans	-63.5	131.4	176.5	54.6	0	0	0	0	111.4	S66 Q78	S64-S66 PolarHBondContact O-N 3.43Å; S64-S66 VanDerWaalsContact O-N 3.12Å; S64-S66 PolarHBondContact OG-O 3.29Å; S64-Q78 PolarHBondContact O-NE2 3Å
65	V	69	Low	76	Confident	100 Å²	100	43.5 Å²	43.5	61%	0.606	25%	0.247	S	C	*	.	S	Bend	trans	-58	-28.1	-179.4	-179.2	0	0	0	0	112.3	G63 E77 Q78	G63-V65 PolarHBondContact O-N 2.94Å; V65-E77 CarbonylContact O-C 3.56Å; V65-E77 VanDerWaalsContact O-CA 3.27Å; V65-E77 WeakPolarHBondContact O-CA 2.96Å; V65-Q78 PolarHBondContact O-N 3.14Å
66	S	78.3	Confident	76.3	Confident	32 Å²	32	43 Å²	43	22%	0.224	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	139.4	172.9	169.3	0	0	0	0	111.9	S64 R75 H76	S64-S66 PolarHBondContact O-N 3.43Å; S64-S66 VanDerWaalsContact O-N 3.12Å; S64-S66 PolarHBondContact OG-O 3.29Å; S66-R75 PolarHBondContact OG-NE 3.48Å; S66-R75 PolarHBondContact OG-NH2 2.83Å; S66-H76 CarbonylContact C-O 3.54Å; S66-H76 WeakPolarHBondContact CA-O 3.2Å; S66-H76 PolarHBondContact OG-O 2.85Å
67	I	80.3	Confident	76.8	Confident	21 Å²	21	43.3 Å²	43.3	11%	0.108	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.2	179.9	-63.6	153.2	0	0	0	108.9	L57 F59 R75 H76 Q78 L81	L57-I67 HydrophobicContact CD1-CG2 4.03Å; F59-I67 HydrophobicContact CB-CD1 3.56Å; F59-I67 HydrophobicContact CB-CG1 4.13Å; F59-I67 HydrophobicContact CD1-CD1 3.53Å; F59-I67 HydrophobicContact CD2-CD1 3.55Å; F59-I67 HydrophobicContact CE1-CD1 4.03Å; F59-I67 HydrophobicContact CE2-CD1 4.01Å; F59-I67 HydrophobicContact CG-CD1 3.27Å; F59-I67 HydrophobicContact CG-CG1 4.35Å; F59-I67 HydrophobicContact CZ-CD1 4.23Å; I67-R75 CarbonylContact O-C 3.52Å; I67-R75 VanDerWaalsContact O-CA 3.28Å; I67-R75 WeakPolarHBondContact O-CA 3.25Å; I67-H76 PolarHBondContact N-O 3.13Å; I67-H76 PolarHBondContact O-N 2.81Å; I67-Q78 HydrophobicContact CD1-CG 3.64Å; I67-Q78 HydrophobicContact CG1-CG 4.48Å; I67-L81 HydrophobicContact CD1-CD1 3.76Å
68	E	82.9	Confident	77	Confident	68 Å²	68	44.7 Å²	44.7	32%	0.318	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128	173.1	-167.6	174.1	136.2	0	0	109.9	R75	E68-R75 HydrophobicContact CB-CG 3.95Å; E68-R75 HydrophobicContact CG-CG 3.96Å
69	C	81.8	Confident	77.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.287	C	S	.	.			trans	-78	121.3	176.5	179.3	0	0	0	0	110.2	L57 E71 C72 G73 Q74	L57-C69 HydrophobicContact CD1-CB 3.95Å; L57-C69 HydrophobicContact CD2-CB 4.25Å; C69-E71 PolarHBondContact O-N 2.81Å; C69-C72 VanDerWaalsContact CB-SG 3.5Å; C69-C72 PolarHBondContact SG-SG 3.37Å; C69-G73 VanDerWaalsContact O-CA 3.23Å; C69-G73 WeakPolarHBondContact O-CA 3.46Å; C69-G73 PolarHBondContact O-N 3.13Å; C69-Q74 PolarHBondContact N-O 3.39Å
70	T	75.5	Confident	77.8	Confident	58 Å²	58	55.9 Å²	55.9	36%	0.356	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-30	-177.5	57.5	0	0	0	0	113.3	K111	T70-K111 WeakPolarHBondContact O-CE 3.37Å; T70-K111 PolarHBondContact O-NZ 3.49Å
71	E	77.9	Confident	78.4	Confident	81 Å²	81	53.6 Å²	53.6	38%	0.379	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-51.8	-174.7	-56.6	-44.7	126	0	0	112.7	A55 C69 K111	A55-E71 HydrophobicContact CB-CB 4.08Å; A55-E71 HydrophobicContact CB-CG 3.64Å; C69-E71 PolarHBondContact O-N 2.81Å; E71-K111 PolarHBondContact O-NZ 2.8Å
72	C	84.9	Confident	78.9	Confident	4 Å²	4	56.7 Å²	56.7	3%	0.027	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-14	-179.2	68.9	0	0	0	0	114.7	C48 C53 C69 Q74 V116 K117	C48-C72 VanDerWaalsContact SG-SG 3.65Å; C53-C72 HydrophobicContact CB-CB 3.95Å; C69-C72 VanDerWaalsContact CB-SG 3.5Å; C69-C72 PolarHBondContact SG-SG 3.37Å; C72-Q74 HydrophobicContact CB-CG 4.48Å; C72-Q74 PolarHBondContact O-N 2.81Å; C72-V116 CarbonylContact O-C 3.42Å; C72-V116 WeakPolarHBondContact O-CA 3.49Å; C72-K117 HydrophobicContact CB-CB 4.09Å; C72-K117 PolarHBondContact O-N 2.81Å
73	G	83.9	Confident	79.8	Confident	4 Å²	4	56.4 Å²	56.4	4%	0.041	31%	0.309	C	S	.	.			trans	73.7	-2	-176.9	0	0	0	0	0	114.9	C69	C69-G73 VanDerWaalsContact O-CA 3.23Å; C69-G73 WeakPolarHBondContact O-CA 3.46Å; C69-G73 PolarHBondContact O-N 3.13Å
74	Q	87.1	Confident	80.9	Confident	6 Å²	6	58.1 Å²	58.1	3%	0.028	31%	0.313	C	S	.	.			trans	-68	152.8	174.7	-65.1	-170.9	43.4	0	0	111.1	D50 C69 C72 H76 V116 K117 V118 T176	D50-Q74 PolarHBondContact OD2-NE2 3.24Å; C69-Q74 PolarHBondContact N-O 3.39Å; C72-Q74 HydrophobicContact CB-CG 4.48Å; C72-Q74 PolarHBondContact O-N 2.81Å; Q74-H76 PolarHBondContact OE1-CE1 2.99Å; Q74-V116 HydrophobicContact CB-CG1 4.47Å; Q74-V116 HydrophobicContact CG-CG1 3.7Å; Q74-K117 WeakPolarHBondContact CG-O 3.49Å; Q74-K117 PolarHBondContact NE2-O 3.06Å; Q74-V118 HydrophobicContact CG-CG2 4.42Å; Q74-T176 HydrophobicContact CB-CG2 4.43Å; Q74-T176 HydrophobicContact CG-CG2 3.79Å
75	R	86.1	Confident	82.2	Confident	128 Å²	128	59 Å²	59	48%	0.483	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120	174.6	-70.4	-169.3	59.2	165.7	1.1	110.2	S66 I67 E68	S66-R75 PolarHBondContact OG-NE 3.48Å; S66-R75 PolarHBondContact OG-NH2 2.83Å; I67-R75 CarbonylContact O-C 3.52Å; I67-R75 VanDerWaalsContact O-CA 3.28Å; I67-R75 WeakPolarHBondContact O-CA 3.25Å; E68-R75 HydrophobicContact CB-CG 3.95Å; E68-R75 HydrophobicContact CG-CG 3.96Å
76	H	84.4	Confident	82.7	Confident	9 Å²	9	58.4 Å²	58.4	4%	0.042	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	157.5	-179.5	-50	-68.5	0	0	0	109.9	C48 P49 S66 I67 Q74 L81	C48-H76 PolarHBondContact SG-NE2 3.25Å; P49-H76 WeakPolarHBondContact CG-ND1 3.44Å; S66-H76 CarbonylContact C-O 3.54Å; S66-H76 WeakPolarHBondContact CA-O 3.2Å; S66-H76 PolarHBondContact OG-O 2.85Å; I67-H76 PolarHBondContact N-O 3.13Å; I67-H76 PolarHBondContact O-N 2.81Å; Q74-H76 PolarHBondContact OE1-CE1 2.99Å; H76-L81 HydrophobicContact CB-CD2 3.81Å
77	E	83.9	Confident	82.5	Confident	91 Å²	91	57.8 Å²	57.8	43%	0.425	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	152.3	164.7	-59.9	-177.6	147.9	0	0	110.4	V65 Q79 Q80	V65-E77 CarbonylContact O-C 3.56Å; V65-E77 VanDerWaalsContact O-CA 3.27Å; V65-E77 WeakPolarHBondContact O-CA 2.96Å; E77-Q79 PolarHBondContact O-N 3.3Å; E77-Q79 VanDerWaalsContact O-N 3.1Å; E77-Q80 HydrophobicContact CB-CG 4.07Å; E77-Q80 WeakPolarHBondContact O-CB 3.38Å; E77-Q80 PolarHBondContact O-N 2.84Å; E77-Q80 PolarHBondContact OE2-NE2 3.27Å
78	Q	82.5	Confident	81.6	Confident	38 Å²	38	62.6 Å²	62.6	18%	0.178	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-53.9	-34.1	-180	-71.3	-177.1	21.1	0	0	113.2	F59 S64 V65 I67 Q80	F59-Q78 HydrophobicContact CD2-CG 3.89Å; F59-Q78 HydrophobicContact CE2-CB 4.08Å; F59-Q78 HydrophobicContact CE2-CG 3.67Å; S64-Q78 PolarHBondContact O-NE2 3Å; V65-Q78 PolarHBondContact O-N 3.14Å; I67-Q78 HydrophobicContact CD1-CG 3.64Å; I67-Q78 HydrophobicContact CG1-CG 4.48Å; Q78-Q80 VanDerWaalsContact C-N 3.28Å; Q78-Q80 PolarHBondContact O-N 3.45Å
79	Q	80.8	Confident	80.4	Confident	182 Å²	182	62.9 Å²	62.9	85%	0.85	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-74.3	-14.8	178.9	-59.2	179.3	12.1	0	0	113.7	E77	E77-Q79 PolarHBondContact O-N 3.3Å; E77-Q79 VanDerWaalsContact O-N 3.1Å
80	Q	83.6	Confident	78.9	Confident	91 Å²	91	67.3 Å²	67.3	43%	0.425	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-97.1	-4.1	-178.8	-60.4	166.2	-2	0	0	112.5	E77 Q78	E77-Q80 HydrophobicContact CB-CG 4.07Å; E77-Q80 WeakPolarHBondContact O-CB 3.38Å; E77-Q80 PolarHBondContact O-N 2.84Å; E77-Q80 PolarHBondContact OE2-NE2 3.27Å; Q78-Q80 VanDerWaalsContact C-N 3.28Å; Q78-Q80 PolarHBondContact O-N 3.45Å
81	L	85.9	Confident	77.7	Confident	10 Å²	10	69.5 Å²	69.5	5%	0.052	37%	0.367	C	S	.	.	S	Bend	trans	-79.5	139.8	176.2	-63.1	179.4	0	0	0	110.4	L57 F59 I67 H76 V84	L57-L81 HydrophobicContact CD1-CD2 4.04Å; F59-L81 HydrophobicContact CD1-CD1 4.09Å; F59-L81 HydrophobicContact CE1-CD1 3.41Å; F59-L81 VanDerWaalsContact CE1-CD1 3.41Å; F59-L81 HydrophobicContact CZ-CD1 3.73Å; I67-L81 HydrophobicContact CD1-CD1 3.76Å; H76-L81 HydrophobicContact CB-CD2 3.81Å; L81-V84 HydrophobicContact CB-CG2 3.91Å; L81-V84 WeakPolarHBondContact O-CG2 3.23Å
82	L	86	Confident	76.6	Confident	90 Å²	90	67.5 Å²	67.5	47%	0.471	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.4	-175	-58.7	179.1	0	0	0	111.1	S47 P49	S47-L82 WeakPolarHBondContact CB-O 3.36Å; S47-L82 PolarHBondContact N-O 2.86Å; S47-L82 PolarHBondContact O-N 3.42Å; S47-L82 PolarHBondContact OG-O 3.4Å; P49-L82 HydrophobicContact CB-CD1 4.36Å; P49-L82 HydrophobicContact CB-CG 4.18Å
83	G	82.2	Confident	75.1	Confident	56 Å²	56	68.9 Å²	68.9	58%	0.577	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	64.2	64.7	179.6	0	0	0	0	0	112.1
84	V	84.3	Confident	73.7	Confident	67 Å²	67	73.2 Å²	73.2	41%	0.406	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.1	176.4	-178.1	0	0	0	0	110	L44 S45 F59 L81	L44-V84 HydrophobicContact CB-CG1 3.98Å; L44-V84 HydrophobicContact CD1-CG1 3.94Å; L44-V84 HydrophobicContact CG-CG1 4.4Å; S45-V84 CarbonylContact O-C 3.59Å; S45-V84 VanDerWaalsContact O-CA 3.3Å; S45-V84 WeakPolarHBondContact O-CA 3.45Å; F59-V84 HydrophobicContact CZ-CG1 3.93Å; F59-V84 HydrophobicContact CZ-CG2 4.35Å; L81-V84 HydrophobicContact CB-CG2 3.91Å; L81-V84 WeakPolarHBondContact O-CG2 3.23Å
85	E	84.3	Confident	72.1	Confident	103 Å²	103	75.7 Å²	75.7	48%	0.481	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.2	-173	56	-177.1	156.4	0	0	111.1	L44 S45 R56	L44-E85 CarbonylContact C-O 3.48Å; L44-E85 WeakPolarHBondContact CA-O 3.06Å; S45-E85 PolarHBondContact N-O 2.83Å; S45-E85 PolarHBondContact O-N 3.49Å; S45-E85 WeakPolarHBondContact OG-CG 3.16Å; R56-E85 IonicContact CZ-OE1 2.77Å; R56-E85 IonicContact NE-OE1 2.68Å; R56-E85 VanDerWaalsContact NH2-CD 3.28Å; R56-E85 IonicContact NH2-OE1 3.93Å; R56-E85 PolarHBondContact NH2-OE1 2.81Å; R56-E85 IonicContact NH2-OE2 3.79Å
86	E	80.5	Confident	70.6	Confident	87 Å²	87	70.3 Å²	70.3	41%	0.407	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	128.9	-179.9	-174.8	173.7	155.1	0	0	111.4	R42 L44 T88	R42-E86 HydrophobicContact CB-CG 4.35Å; R42-E86 VanDerWaalsContact CD-OE1 3.27Å; R42-E86 WeakPolarHBondContact CD-OE1 3.16Å; R42-E86 WeakPolarHBondContact CD-OE2 3.38Å; R42-E86 WeakPolarHBondContact CG-OE1 3.35Å; R42-E86 IonicContact CZ-OE2 3.31Å; R42-E86 IonicContact NE-OE2 3.85Å; R42-E86 IonicContact NH1-OE2 3.13Å; R42-E86 PolarHBondContact NH1-OE2 2.8Å; L44-E86 HydrophobicContact CD2-CB 4.16Å; E86-T88 PolarHBondContact O-N 3.05Å
87	V	73.4	Confident	69.1	Low	19 Å²	19	72.5 Å²	72.5	12%	0.115	39%	0.393	C	S	.	.			trans	-87.1	102.7	178.5	-168.9	0	0	0	0	108.9	I43 F58 V92 V93	I43-V87 HydrophobicContact CG2-CG2 4.34Å; I43-V87 PolarHBondContact O-N 3.31Å; F58-V87 HydrophobicContact CD1-CG2 3.99Å; F58-V87 HydrophobicContact CE1-CG2 4.03Å; V87-V92 HydrophobicContact CG1-CB 4.1Å; V87-V92 HydrophobicContact CG1-CG1 3.81Å; V87-V93 HydrophobicContact CB-CG2 4Å; V87-V93 HydrophobicContact CG1-CG2 3.85Å; V87-V93 VanDerWaalsContact O-CG2 3.27Å; V87-V93 WeakPolarHBondContact O-CG2 3.34Å
88	T	62.6	Low	67.5	Low	123 Å²	123	71.1 Å²	71.1	76%	0.755	39%	0.389	S	S	*	.			trans	-88.7	-14.8	-179.5	52.4	0	0	0	0	113.8	E86	E86-T88 PolarHBondContact O-N 3.05Å
89	D	57.4	Low	66	Low	73 Å²	73	71.7 Å²	71.7	39%	0.39	39%	0.389	S	S	.	.			trans	-75	118	177	-178.8	-40.2	0	0	0	110.6	D91 V92 V93	D89-D91 PolarHBondContact O-N 3.1Å; D89-D91 PolarHBondContact OD1-N 3.49Å; D89-V92 HydrophobicContact CB-CB 4.02Å; D89-V92 HydrophobicContact CB-CG2 4.03Å; D89-V92 PolarHBondContact OD1-N 3.12Å; D89-V93 VanDerWaalsContact O-CB 3.29Å; D89-V93 WeakPolarHBondContact O-CB 3.27Å; D89-V93 VanDerWaalsContact O-CG2 3.26Å; D89-V93 WeakPolarHBondContact O-CG2 3.3Å; D89-V93 PolarHBondContact O-N 3.4Å
90	P	50.2	Low	64.4	Low	93 Å²	93	66.4 Å²	66.4	60%	0.604	37%	0.367	S	S	*	.	H	α-helix	trans	-69.7	-29.2	-175.8	29.5	-35.4	0	0	0	113.7	L94	P90-L94 VanDerWaalsContact O-CB 3.24Å; P90-L94 WeakPolarHBondContact O-CB 3.39Å; P90-L94 PolarHBondContact O-N 3.23Å
91	D	49.2	Very low	62.5	Low	105 Å²	105	62.8 Å²	62.8	56%	0.561	35%	0.353	S	S	*	.	H	α-helix	trans	-76.5	-40.6	-179.6	-71.9	-12.9	0	0	0	109.8	D89 L94 H95	D89-D91 PolarHBondContact O-N 3.1Å; D89-D91 PolarHBondContact OD1-N 3.49Å; D91-L94 PolarHBondContact O-N 3.45Å; D91-H95 VanDerWaalsContact O-CB 3.26Å; D91-H95 WeakPolarHBondContact O-CB 3.47Å; D91-H95 PolarHBondContact O-N 2.99Å
92	V	55	Low	60.4	Low	38 Å²	38	66.6 Å²	66.6	23%	0.23	37%	0.372	C	S	.	.	H	α-helix	trans	-67	-39.1	172.5	179.9	0	0	0	0	111	F58 V87 D89 N96	F58-V92 HydrophobicContact CE1-CG1 3.89Å; F58-V92 HydrophobicContact CZ-CG1 4.3Å; V87-V92 HydrophobicContact CG1-CB 4.1Å; V87-V92 HydrophobicContact CG1-CG1 3.81Å; D89-V92 HydrophobicContact CB-CB 4.02Å; D89-V92 HydrophobicContact CB-CG2 4.03Å; D89-V92 PolarHBondContact OD1-N 3.12Å; V92-N96 WeakPolarHBondContact CG1-ND2 3.41Å; V92-N96 WeakPolarHBondContact O-CB 3.45Å; V92-N96 PolarHBondContact O-N 3.19Å; V92-N96 VanDerWaalsContact O-N 3.13Å; V92-N96 PolarHBondContact O-ND2 3.39Å
93	V	54.7	Low	58.5	Low	34 Å²	34	64.6 Å²	64.6	21%	0.206	36%	0.362	C	S	.	.	H	α-helix	trans	-59.2	-50.8	171.5	155	0	0	0	0	111	I43 V87 D89 L97	I43-V93 HydrophobicContact CB-CG2 4.23Å; I43-V93 HydrophobicContact CD1-CB 4.48Å; I43-V93 HydrophobicContact CD1-CG1 3.9Å; I43-V93 HydrophobicContact CD1-CG2 4.36Å; I43-V93 HydrophobicContact CG1-CG2 4.5Å; V87-V93 HydrophobicContact CB-CG2 4Å; V87-V93 HydrophobicContact CG1-CG2 3.85Å; V87-V93 VanDerWaalsContact O-CG2 3.27Å; V87-V93 WeakPolarHBondContact O-CG2 3.34Å; D89-V93 VanDerWaalsContact O-CB 3.29Å; D89-V93 WeakPolarHBondContact O-CB 3.27Å; D89-V93 VanDerWaalsContact O-CG2 3.26Å; D89-V93 WeakPolarHBondContact O-CG2 3.3Å; D89-V93 PolarHBondContact O-N 3.4Å; V93-L97 HydrophobicContact CG1-CD1 3.92Å; V93-L97 VanDerWaalsContact O-CB 3.29Å; V93-L97 WeakPolarHBondContact O-CB 3.43Å; V93-L97 WeakPolarHBondContact O-CG 3.35Å; V93-L97 PolarHBondContact O-N 2.88Å
94	L	53.6	Low	56.6	Low	94 Å²	94	64.9 Å²	64.9	49%	0.492	37%	0.365	S	S	.	.	H	α-helix	trans	-67.8	-45.9	-176.8	-178.4	60.5	0	0	0	111.8	P90 D91 N96 L97 L98	P90-L94 VanDerWaalsContact O-CB 3.24Å; P90-L94 WeakPolarHBondContact O-CB 3.39Å; P90-L94 PolarHBondContact O-N 3.23Å; D91-L94 PolarHBondContact O-N 3.45Å; L94-N96 VanDerWaalsContact C-N 3.32Å; L94-N96 PolarHBondContact O-N 3.27Å; L94-L97 PolarHBondContact O-N 3.06Å; L94-L98 HydrophobicContact CD1-CD1 3.94Å; L94-L98 HydrophobicContact CD1-CG 4.07Å; L94-L98 HydrophobicContact CG-CD1 3.94Å; L94-L98 HydrophobicContact CG-CG 4.46Å; L94-L98 WeakPolarHBondContact O-CB 3.36Å; L94-L98 VanDerWaalsContact O-CG 3.29Å; L94-L98 WeakPolarHBondContact O-CG 3.44Å; L94-L98 PolarHBondContact O-N 2.86Å
95	H	54.3	Low	54.5	Low	59 Å²	59	64.6 Å²	64.6	27%	0.273	36%	0.363	S	S	.	.	H	α-helix	trans	-60.2	-41.4	178.4	-178.1	-79.4	0	0	0	111.8	D91 R99	D91-H95 VanDerWaalsContact O-CB 3.26Å; D91-H95 WeakPolarHBondContact O-CB 3.47Å; D91-H95 PolarHBondContact O-N 2.99Å; H95-R99 WeakPolarHBondContact O-CB 3.46Å; H95-R99 PolarHBondContact O-N 2.95Å
96	N	53.1	Low	52.3	Low	15 Å²	15	63.4 Å²	63.4	8%	0.08	36%	0.363	C	S	.	.	H	α-helix	trans	-83.4	-24.4	179.9	-65	-66.1	0	0	0	113.6	F58 V92 L94 N100	F58-N96 HydrophobicContact CB-CB 3.85Å; F58-N96 HydrophobicContact CD1-CB 4.11Å; F58-N96 HydrophobicContact CD2-CB 4.04Å; F58-N96 HydrophobicContact CG-CB 3.73Å; V92-N96 WeakPolarHBondContact CG1-ND2 3.41Å; V92-N96 WeakPolarHBondContact O-CB 3.45Å; V92-N96 PolarHBondContact O-N 3.19Å; V92-N96 VanDerWaalsContact O-N 3.13Å; V92-N96 PolarHBondContact O-ND2 3.39Å; L94-N96 VanDerWaalsContact C-N 3.32Å; L94-N96 PolarHBondContact O-N 3.27Å; N96-N100 WeakPolarHBondContact O-CB 3.42Å; N96-N100 VanDerWaalsContact O-CG 3.29Å; N96-N100 PolarHBondContact O-N 2.72Å; N96-N100 PolarHBondContact O-ND2 2.69Å
97	L	53.8	Low	50.6	Low	54 Å²	54	60 Å²	60	28%	0.283	35%	0.352	S	S	.	.	H	α-helix	trans	-62	-51.4	163.3	-90.5	169.7	0	0	0	111.1	I43 V93 L94 R99 N100 A101 L901	I43-L97 HydrophobicContact CD1-CD1 3.8Å; I43-L97 HydrophobicContact CD1-CD2 3.82Å; I43-L97 HydrophobicContact CD1-CG 3.44Å; I43-L97 VanDerWaalsContact CD1-CG 3.44Å; V93-L97 HydrophobicContact CG1-CD1 3.92Å; V93-L97 VanDerWaalsContact O-CB 3.29Å; V93-L97 WeakPolarHBondContact O-CB 3.43Å; V93-L97 WeakPolarHBondContact O-CG 3.35Å; V93-L97 PolarHBondContact O-N 2.88Å; L94-L97 PolarHBondContact O-N 3.06Å; L97-R99 VanDerWaalsContact C-N 3.32Å; L97-R99 PolarHBondContact O-N 2.68Å; L97-N100 PolarHBondContact O-N 2.86Å; L97-A101 WeakPolarHBondContact O-CB 3.38Å; L97-A101 PolarHBondContact O-N 2.96Å; L97-L901 HydrophobicContact CD1-CD2 4.39Å; L97-L901 HydrophobicContact CD2-CD2 4.34Å
98	L	51.1	Low	49.4	Very low	63 Å²	63	60.7 Å²	60.7	33%	0.33	36%	0.359	S	S	.	.	H	α-helix	trans	-62.3	-42.1	178.7	-69.7	171.6	0	0	0	110.3	L94 L102 L897	L94-L98 HydrophobicContact CD1-CD1 3.94Å; L94-L98 HydrophobicContact CD1-CG 4.07Å; L94-L98 HydrophobicContact CG-CD1 3.94Å; L94-L98 HydrophobicContact CG-CG 4.46Å; L94-L98 WeakPolarHBondContact O-CB 3.36Å; L94-L98 VanDerWaalsContact O-CG 3.29Å; L94-L98 WeakPolarHBondContact O-CG 3.44Å; L94-L98 PolarHBondContact O-N 2.86Å; L98-L102 HydrophobicContact CB-CD1 4.1Å; L98-L102 HydrophobicContact CD2-CD1 4.25Å; L98-L102 WeakPolarHBondContact O-CB 3.36Å; L98-L102 WeakPolarHBondContact O-CG 3.26Å; L98-L102 PolarHBondContact O-N 3.17Å; L98-L897 HydrophobicContact CD2-CD2 4.31Å
99	R	50.2	Low	49	Very low	49 Å²	49	56.7 Å²	56.7	19%	0.185	34%	0.335	C	S	.	.	H	α-helix	trans	-54.2	-55.8	170.4	-172.5	170.7	175.4	159.8	-2.1	110.9	H95 L97 L103 L470	H95-R99 WeakPolarHBondContact O-CB 3.46Å; H95-R99 PolarHBondContact O-N 2.95Å; L97-R99 VanDerWaalsContact C-N 3.32Å; L97-R99 PolarHBondContact O-N 2.68Å; R99-L103 HydrophobicContact CG-CD1 3.7Å; R99-L103 WeakPolarHBondContact O-CB 3.32Å; R99-L103 VanDerWaalsContact O-CD1 3.32Å; R99-L103 WeakPolarHBondContact O-CD1 3.23Å; R99-L103 WeakPolarHBondContact O-CG 3.29Å; R99-L103 PolarHBondContact O-N 2.93Å; R99-L470 PolarHBondContact NH1-O 3.25Å
100	N	47.6	Very low	49.4	Very low	71 Å²	71	61.6 Å²	61.6	38%	0.38	35%	0.353	S	S	.	.	H	α-helix	trans	-70.9	-37.4	-174.7	-71.5	-16.9	0	0	0	114.4	F58 N96 L97 G104	F58-N100 PolarHBondContact O-ND2 3.29Å; N96-N100 WeakPolarHBondContact O-CB 3.42Å; N96-N100 VanDerWaalsContact O-CG 3.29Å; N96-N100 PolarHBondContact O-N 2.72Å; N96-N100 PolarHBondContact O-ND2 2.69Å; L97-N100 PolarHBondContact O-N 2.86Å; N100-G104 PolarHBondContact O-N 3.31Å
101	A	44.3	Very low	50.4	Low	15 Å²	15	58.6 Å²	58.6	12%	0.124	33%	0.331	C	S	.	.	H	α-helix	trans	-79.8	-40.6	-177.5	0	0	0	0	0	112.2	L97 G104 L897 T900	L97-A101 WeakPolarHBondContact O-CB 3.38Å; L97-A101 PolarHBondContact O-N 2.96Å; A101-G104 WeakPolarHBondContact O-CA 3.3Å; A101-G104 PolarHBondContact O-N 3.39Å; A101-G104 VanDerWaalsContact O-N 3.12Å; A101-L897 HydrophobicContact CB-CD1 3.77Å; A101-T900 HydrophobicContact CB-CG2 4.04Å
102	L	41.5	Very low	51.6	Low	90 Å²	90	56.5 Å²	56.5	47%	0.471	32%	0.319	S	S	.	.	H	α-helix	trans	-72.3	-36.4	174.4	-57.7	172.5	0	0	0	111.1	L98 G104 V105	L98-L102 HydrophobicContact CB-CD1 4.1Å; L98-L102 HydrophobicContact CD2-CD1 4.25Å; L98-L102 WeakPolarHBondContact O-CB 3.36Å; L98-L102 WeakPolarHBondContact O-CG 3.26Å; L98-L102 PolarHBondContact O-N 3.17Å; L102-G104 PolarHBondContact O-N 3.46Å; L102-G104 VanDerWaalsContact O-N 3.12Å; L102-V105 CarbonylContact O-C 3.52Å; L102-V105 PolarHBondContact O-N 2.9Å
103	L	44.8	Very low	52.8	Low	48 Å²	48	56.3 Å²	56.3	25%	0.251	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.4	169.3	-67.8	172.8	0	0	0	112.7	R99 V105 G107	R99-L103 HydrophobicContact CG-CD1 3.7Å; R99-L103 WeakPolarHBondContact O-CB 3.32Å; R99-L103 VanDerWaalsContact O-CD1 3.32Å; R99-L103 WeakPolarHBondContact O-CD1 3.23Å; R99-L103 WeakPolarHBondContact O-CG 3.29Å; R99-L103 PolarHBondContact O-N 2.93Å; L103-V105 VanDerWaalsContact C-N 3.28Å; L103-V105 PolarHBondContact O-N 2.78Å; L103-G107 VanDerWaalsContact CD2-CA 3.42Å; L103-G107 WeakPolarHBondContact O-CA 3.32Å; L103-G107 PolarHBondContact O-N 3.23Å
104	G	43	Very low	54.3	Low	62 Å²	62	55.3 Å²	55.3	64%	0.639	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.5	170.4	0	0	0	0	0	114.3	N100 A101 L102	N100-G104 PolarHBondContact O-N 3.31Å; A101-G104 WeakPolarHBondContact O-CA 3.3Å; A101-G104 PolarHBondContact O-N 3.39Å; A101-G104 VanDerWaalsContact O-N 3.12Å; L102-G104 PolarHBondContact O-N 3.46Å; L102-G104 VanDerWaalsContact O-N 3.12Å
105	V	40.6	Very low	55.9	Low	61 Å²	61	51.2 Å²	51.2	37%	0.37	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.1	104.5	175.2	-171.1	0	0	0	0	108.9	L102 L103 Y893	L102-V105 CarbonylContact O-C 3.52Å; L102-V105 PolarHBondContact O-N 2.9Å; L103-V105 VanDerWaalsContact C-N 3.28Å; L103-V105 PolarHBondContact O-N 2.78Å; V105-Y893 HydrophobicContact CB-CE1 4.46Å; V105-Y893 HydrophobicContact CG1-CD1 4.36Å; V105-Y893 HydrophobicContact CG1-CE1 3.83Å
106	T	37	Very low	57.6	Low	79 Å²	79	48.7 Å²	48.7	49%	0.485	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	30.3	-172.7	83.6	0	0	0	0	117.2
107	G	44.6	Very low	59.4	Low	16 Å²	16	50 Å²	50	17%	0.165	28%	0.284	C	S	.	.			trans	-64.5	174.8	167.3	0	0	0	0	0	115.3	L103	L103-G107 VanDerWaalsContact CD2-CA 3.42Å; L103-G107 WeakPolarHBondContact O-CA 3.32Å; L103-G107 PolarHBondContact O-N 3.23Å
108	A	48.3	Very low	61.2	Low	32 Å²	32	47.4 Å²	47.4	26%	0.264	27%	0.27	S	S	.	.	S	Bend	trans	-49.4	143.9	167.6	0	0	0	0	0	110.9	K110 Y437 A473	A108-K110 PolarHBondContact O-N 2.82Å; A108-Y437 HydrophobicContact CB-CE1 3.99Å; A108-A473 HydrophobicContact CB-CB 4.42Å
109	P	55.2	Low	62.9	Low	40 Å²	40	46.4 Å²	46.4	26%	0.26	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-68.6	129.5	-172.7	29.5	-29.8	0	0	0	109.2	K111 Q436 Y437 W539	P109-K111 PolarHBondContact O-N 2.73Å; P109-Q436 HydrophobicContact CG-CG 4.2Å; P109-Q436 PolarHBondContact O-NE2 2.91Å; P109-Y437 HydrophobicContact CG-CD1 4.08Å; P109-Y437 HydrophobicContact CG-CE1 4.32Å; P109-W539 HydrophobicContact CB-CH2 4.44Å; P109-W539 HydrophobicContact CB-CZ3 4.48Å; P109-W539 HydrophobicContact CG-CH2 3.81Å; P109-W539 HydrophobicContact CG-CZ2 4.4Å; P109-W539 HydrophobicContact CG-CZ3 4.13Å
110	K	64.8	Low	64.7	Low	175 Å²	175	45.4 Å²	45.4	76%	0.761	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-49.3	138.5	179	-68.4	-177.1	177.7	177.7	0	110.4	A108 N112	A108-K110 PolarHBondContact O-N 2.82Å; K110-N112 PolarHBondContact O-N 2.99Å
111	K	70.9	Confident	66.7	Low	30 Å²	30	42.7 Å²	42.7	13%	0.13	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-70.8	119.9	-175.7	-58.4	-152.8	178.5	-168.8	0	109.2	T70 E71 P109 L115	T70-K111 WeakPolarHBondContact O-CE 3.37Å; T70-K111 PolarHBondContact O-NZ 3.49Å; E71-K111 PolarHBondContact O-NZ 2.8Å; P109-K111 PolarHBondContact O-N 2.73Å; K111-L115 HydrophobicContact CB-CB 4.35Å
112	N	75	Confident	69	Low	61 Å²	61	42 Å²	42	33%	0.326	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-64	160.8	173.6	-170.7	29.2	0	0	0	110.4	K110 E114 L115 V116 R440	K110-N112 PolarHBondContact O-N 2.99Å; N112-E114 HydrophobicContact CB-CG 4.32Å; N112-E114 VanDerWaalsContact ND2-CD 3.25Å; N112-E114 PolarHBondContact ND2-OE1 3.26Å; N112-E114 PolarHBondContact O-N 3.2Å; N112-E114 VanDerWaalsContact O-N 3.17Å; N112-L115 WeakPolarHBondContact O-CA 3.48Å; N112-L115 PolarHBondContact O-N 2.9Å; N112-V116 PolarHBondContact O-N 2.87Å; N112-R440 PolarHBondContact ND2-NH2 2.68Å
113	T	81.4	Confident	71.4	Confident	35 Å²	35	37.8 Å²	37.8	22%	0.215	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-48.3	-45.6	-179.8	56	0	0	0	0	112.5	L115 V116 V177 H211	T113-L115 PolarHBondContact O-N 3.25Å; T113-L115 VanDerWaalsContact O-N 3.15Å; T113-V116 PolarHBondContact O-N 3.22Å; T113-V177 HydrophobicContact CG2-CG1 3.9Å; T113-H211 WeakPolarHBondContact CB-NE2 3.39Å; T113-H211 PolarHBondContact OG1-NE2 2.91Å
114	E	84.6	Confident	73.7	Confident	13 Å²	13	35.9 Å²	35.9	6%	0.061	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-61.2	-21	179.4	79.6	-155.9	144	0	0	114.6	N112 S122 N123 Y124 D213 H435 R440	N112-E114 HydrophobicContact CB-CG 4.32Å; N112-E114 VanDerWaalsContact ND2-CD 3.25Å; N112-E114 PolarHBondContact ND2-OE1 3.26Å; N112-E114 PolarHBondContact O-N 3.2Å; N112-E114 VanDerWaalsContact O-N 3.17Å; E114-S122 VanDerWaalsContact O-CB 3.26Å; E114-S122 WeakPolarHBondContact O-CB 3.49Å; E114-S122 PolarHBondContact O-OG 3.11Å; E114-N123 PolarHBondContact O-N 3.05Å; E114-N123 VanDerWaalsContact O-N 3.15Å; E114-Y124 WeakPolarHBondContact O-CB 3.08Å; E114-Y124 PolarHBondContact O-N 3.35Å; E114-D213 WeakPolarHBondContact CB-OD2 3.37Å; E114-H435 IonicContact OE1-CE1 3.87Å; E114-H435 PolarHBondContact OE1-CE1 3.45Å; E114-H435 IonicContact OE2-CE1 4Å; E114-R440 IonicContact OE1-CZ 3.08Å; E114-R440 IonicContact OE1-NE 3.45Å; E114-R440 PolarHBondContact OE1-NE 2.98Å; E114-R440 IonicContact OE1-NH2 2.63Å; E114-R440 PolarHBondContact OE1-NH2 2.65Å; E114-R440 IonicContact OE2-CZ 3.77Å; E114-R440 IonicContact OE2-NH2 3.94Å; E114-R440 PolarHBondContact OE2-NH2 3.29Å
115	L	87.8	Confident	76	Confident	8 Å²	8	33.1 Å²	33.1	4%	0.042	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-106.5	-6.6	-174.8	-70.7	171.8	0	0	0	112.9	K111 N112 T113 K117 Y124 A432 Q436	K111-L115 HydrophobicContact CB-CB 4.35Å; N112-L115 WeakPolarHBondContact O-CA 3.48Å; N112-L115 PolarHBondContact O-N 2.9Å; T113-L115 PolarHBondContact O-N 3.25Å; T113-L115 VanDerWaalsContact O-N 3.15Å; L115-K117 PolarHBondContact O-N 2.78Å; L115-Y124 HydrophobicContact CD2-CD1 4.45Å; L115-Y124 HydrophobicContact CD2-CG 4.37Å; L115-A432 HydrophobicContact CD2-CB 4.38Å; L115-Q436 HydrophobicContact CD1-CB 3.62Å; L115-Q436 HydrophobicContact CD1-CG 3.75Å
116	V	89.6	Confident	78.6	Confident	5 Å²	5	30.3 Å²	30.3	3%	0.03	17%	0.17	C	C	.	.			trans	-66.1	122.9	172.5	179.1	0	0	0	0	108.8	C72 Q74 N112 T113 S122 T176 V177	C72-V116 CarbonylContact O-C 3.42Å; C72-V116 WeakPolarHBondContact O-CA 3.49Å; Q74-V116 HydrophobicContact CB-CG1 4.47Å; Q74-V116 HydrophobicContact CG-CG1 3.7Å; N112-V116 PolarHBondContact O-N 2.87Å; T113-V116 PolarHBondContact O-N 3.22Å; V116-S122 VanDerWaalsContact O-CA 3.28Å; V116-S122 WeakPolarHBondContact O-CA 3.3Å; V116-S122 WeakPolarHBondContact O-CB 3.42Å; V116-T176 HydrophobicContact CG1-CG2 4.09Å; V116-V177 WeakPolarHBondContact CG1-O 3.41Å
117	K	91.4	Very high	81.2	Confident	42 Å²	42	27.3 Å²	27.3	18%	0.183	15%	0.15	C	C	.	.			trans	-94.2	123.3	-178.6	-69.3	176.8	178.9	179.9	0	110	C72 Q74 L115 G120 L121	C72-K117 HydrophobicContact CB-CB 4.09Å; C72-K117 PolarHBondContact O-N 2.81Å; Q74-K117 WeakPolarHBondContact CG-O 3.49Å; Q74-K117 PolarHBondContact NE2-O 3.06Å; L115-K117 PolarHBondContact O-N 2.78Å; K117-G120 WeakPolarHBondContact CD-O 3.28Å; K117-G120 WeakPolarHBondContact CG-O 3.32Å; K117-L121 WeakPolarHBondContact CA-O 3.35Å
118	V	90.9	Very high	83.6	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.006	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-118.4	122.7	172.2	174.7	0	0	0	0	108.9	Q74 G120 L121 H173 T176 Y179 R230	Q74-V118 HydrophobicContact CG-CG2 4.42Å; V118-G120 PolarHBondContact O-N 2.97Å; V118-L121 PolarHBondContact N-O 3.28Å; V118-L121 PolarHBondContact O-N 2.97Å; V118-H173 WeakPolarHBondContact CG1-CD2 3.46Å; V118-H173 WeakPolarHBondContact CG1-NE2 3.46Å; V118-T176 HydrophobicContact CG2-CG2 3.71Å; V118-Y179 HydrophobicContact CB-CD1 4.28Å; V118-Y179 HydrophobicContact CB-CD2 4.08Å; V118-Y179 HydrophobicContact CB-CE1 4.5Å; V118-Y179 HydrophobicContact CB-CE2 4.34Å; V118-Y179 HydrophobicContact CB-CG 4.05Å; V118-Y179 HydrophobicContact CG1-CD1 3.97Å; V118-Y179 HydrophobicContact CG1-CD2 4.41Å; V118-Y179 HydrophobicContact CG1-CE1 3.83Å; V118-Y179 HydrophobicContact CG1-CE2 4.31Å; V118-Y179 HydrophobicContact CG1-CG 4.24Å; V118-Y179 HydrophobicContact CG2-CD1 4Å; V118-Y179 HydrophobicContact CG2-CD2 4.12Å; V118-Y179 HydrophobicContact CG2-CG 3.67Å; V118-R230 PolarHBondContact O-NH1 2.75Å; V118-R230 PolarHBondContact O-NH2 2.87Å
119	M	88.3	Confident	85.9	Confident	42 Å²	42	25.3 Å²	25.3	21%	0.207	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	39.5	-165.2	-60.1	-65.5	-79.2	0	0	111.6	D50 P51 L121 L410	D50-M119 PolarHBondContact OD2-N 2.67Å; P51-M119 HydrophobicContact CG-SD 4.13Å; M119-L121 PolarHBondContact O-N 2.99Å; M119-L410 HydrophobicContact CE-CD1 4.37Å; M119-L410 WeakPolarHBondContact O-CD2 3.28Å
120	G	86.6	Confident	87.9	Confident	28 Å²	28	23.4 Å²	23.4	29%	0.289	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	-12.5	-177.6	0	0	0	0	0	116	K117 V118	K117-G120 WeakPolarHBondContact CD-O 3.28Å; K117-G120 WeakPolarHBondContact CG-O 3.32Å; V118-G120 PolarHBondContact O-N 2.97Å
121	L	90.8	Very high	89.3	Confident	13 Å²	13	16.2 Å²	16.2	7%	0.068	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-106.6	132.6	-174.1	-56.4	-178.6	0	0	0	112.5	K117 V118 M119 R230 L410 V413	K117-L121 WeakPolarHBondContact CA-O 3.35Å; V118-L121 PolarHBondContact N-O 3.28Å; V118-L121 PolarHBondContact O-N 2.97Å; M119-L121 PolarHBondContact O-N 2.99Å; L121-R230 PolarHBondContact O-NH1 2.97Å; L121-L410 HydrophobicContact CD1-CD2 3.99Å; L121-L410 HydrophobicContact CG-CD2 4.18Å; L121-V413 HydrophobicContact CD1-CB 4.35Å; L121-V413 HydrophobicContact CD1-CG1 4.3Å; L121-V413 HydrophobicContact CD1-CG2 3.91Å; L121-V413 HydrophobicContact CD2-CG1 3.67Å
122	S	92.7	Very high	90.6	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.085	C	C	.	.			trans	-109.9	167.4	172.7	75.5	0	0	0	0	112.2	E114 V116 H125 C126	E114-S122 VanDerWaalsContact O-CB 3.26Å; E114-S122 WeakPolarHBondContact O-CB 3.49Å; E114-S122 PolarHBondContact O-OG 3.11Å; V116-S122 VanDerWaalsContact O-CA 3.28Å; V116-S122 WeakPolarHBondContact O-CA 3.3Å; V116-S122 WeakPolarHBondContact O-CB 3.42Å; S122-H125 PolarHBondContact O-N 3.46Å; S122-H125 PolarHBondContact OG-N 3.25Å; S122-C126 PolarHBondContact O-N 3.39Å; S122-C126 PolarHBondContact O-SG 3.19Å
123	N	91.6	Very high	91.5	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.011	7%	0.07	C	C	.	.	H	α-helix	trans	-60	-47.6	179.2	-59.2	-12.2	0	0	0	110.9	E114 H125 C126 K127 G178 D213 R225 E231	E114-N123 PolarHBondContact O-N 3.05Å; E114-N123 VanDerWaalsContact O-N 3.15Å; N123-H125 VanDerWaalsContact C-N 3.29Å; N123-H125 PolarHBondContact O-N 2.95Å; N123-C126 WeakPolarHBondContact O-CA 3.45Å; N123-C126 VanDerWaalsContact O-CB 3.29Å; N123-C126 WeakPolarHBondContact O-CB 3.36Å; N123-C126 PolarHBondContact O-N 3.14Å; N123-K127 WeakPolarHBondContact O-CG 3.37Å; N123-K127 PolarHBondContact O-N 3.06Å; N123-G178 PolarHBondContact ND2-O 3.45Å; N123-G178 VanDerWaalsContact ND2-O 3.16Å; N123-D213 VanDerWaalsContact CB-OD2 3.32Å; N123-D213 WeakPolarHBondContact CB-OD2 3.49Å; N123-D213 PolarHBondContact ND2-OD1 3.47Å; N123-R225 PolarHBondContact ND2-NH1 3.15Å; N123-R225 PolarHBondContact OD1-NH1 3.09Å; N123-E231 WeakPolarHBondContact CB-OE2 3.42Å
124	Y	92	Very high	92.3	Very high	8 Å²	8	10.6 Å²	10.6	3%	0.031	6%	0.06	C	C	.	.	H	α-helix	trans	-58.1	-38.2	176.7	-169.7	-92.2	0	0	0	112.9	E114 L115 C126 K127 L128 A432 H435	E114-Y124 WeakPolarHBondContact O-CB 3.08Å; E114-Y124 PolarHBondContact O-N 3.35Å; L115-Y124 HydrophobicContact CD2-CD1 4.45Å; L115-Y124 HydrophobicContact CD2-CG 4.37Å; Y124-C126 VanDerWaalsContact C-N 3.34Å; Y124-K127 PolarHBondContact O-N 3.48Å; Y124-L128 HydrophobicContact CD1-CD1 4.12Å; Y124-L128 HydrophobicContact CD1-CG 4.45Å; Y124-L128 HydrophobicContact CE1-CD1 3.87Å; Y124-L128 HydrophobicContact CE1-CD2 4.42Å; Y124-L128 HydrophobicContact CE1-CG 4.16Å; Y124-L128 PolarHBondContact O-N 2.89Å; Y124-A432 HydrophobicContact CD1-CB 3.92Å; Y124-A432 HydrophobicContact CE1-CB 4.33Å; Y124-H435 AromaticContact CD2-CE1 3.73Å; Y124-H435 AromaticContact CD2-ND1 3.45Å; Y124-H435 WeakPolarHBondContact CD2-ND1 3.48Å; Y124-H435 HydrophobicContact CE1-CB 3.82Å; Y124-H435 HydrophobicContact CE2-CB 4.27Å; Y124-H435 AromaticContact CE2-CE1 3.56Å; Y124-H435 AromaticContact CE2-CG 3.65Å; Y124-H435 AromaticContact CE2-ND1 3.29Å; Y124-H435 VanDerWaalsContact CE2-ND1 3.29Å; Y124-H435 WeakPolarHBondContact CE2-ND1 3.45Å; Y124-H435 AromaticContact CG-ND1 3.94Å; Y124-H435 AromaticContact CZ-CG 3.58Å; Y124-H435 AromaticContact CZ-ND1 3.66Å
125	H	93.1	Very high	92.8	Very high	5 Å²	5	15 Å²	15	2%	0.023	8%	0.076	C	C	.	.	H	α-helix	trans	-67.7	-34.8	175.2	-159.7	101.6	0	0	0	112	S122 N123 K127 E417	S122-H125 PolarHBondContact O-N 3.46Å; S122-H125 PolarHBondContact OG-N 3.25Å; N123-H125 VanDerWaalsContact C-N 3.29Å; N123-H125 PolarHBondContact O-N 2.95Å; H125-K127 VanDerWaalsContact C-N 3.32Å; H125-E417 IonicContact CD2-OE1 3.95Å; H125-E417 IonicContact CE1-OE1 3.37Å; H125-E417 PolarHBondContact CE1-OE1 2.69Å; H125-E417 IonicContact NE2-OE1 3.69Å; H125-E417 PolarHBondContact NE2-OE1 3.48Å
126	C	94.1	Very high	93.3	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.007	9%	0.087	C	C	.	.	H	α-helix	trans	-65.9	-35.3	171.8	-59.4	0	0	0	0	111.9	S122 N123 Y124 L129 S130 E231 L232	S122-C126 PolarHBondContact O-N 3.39Å; S122-C126 PolarHBondContact O-SG 3.19Å; N123-C126 WeakPolarHBondContact O-CA 3.45Å; N123-C126 VanDerWaalsContact O-CB 3.29Å; N123-C126 WeakPolarHBondContact O-CB 3.36Å; N123-C126 PolarHBondContact O-N 3.14Å; Y124-C126 VanDerWaalsContact C-N 3.34Å; C126-L129 PolarHBondContact O-N 3.34Å; C126-S130 PolarHBondContact O-N 3.48Å; C126-E231 HydrophobicContact CB-CB 4.35Å; C126-L232 HydrophobicContact CB-CD2 3.76Å; C126-L232 HydrophobicContact CB-CG 3.95Å
127	K	92.3	Very high	93.5	Very high	16 Å²	16	18 Å²	18	7%	0.07	9%	0.09	C	C	.	.	H	α-helix	trans	-66.3	-43.5	179.1	-66.2	174.3	-161.5	-178.7	0	112.4	N123 Y124 H125 L129 S130 P131 D213 D215 E231	N123-K127 WeakPolarHBondContact O-CG 3.37Å; N123-K127 PolarHBondContact O-N 3.06Å; Y124-K127 PolarHBondContact O-N 3.48Å; H125-K127 VanDerWaalsContact C-N 3.32Å; K127-L129 PolarHBondContact O-N 3Å; K127-S130 PolarHBondContact O-N 3.25Å; K127-P131 WeakPolarHBondContact O-CD 3.38Å; K127-D213 VanDerWaalsContact CE-OD2 3.3Å; K127-D213 WeakPolarHBondContact CE-OD2 3.48Å; K127-D213 IonicContact NZ-OD2 2.71Å; K127-D213 PolarHBondContact NZ-OD2 2.89Å; K127-D215 VanDerWaalsContact CE-OD2 3.25Å; K127-D215 WeakPolarHBondContact CE-OD2 3.23Å; K127-D215 IonicContact NZ-OD2 2.57Å; K127-D215 PolarHBondContact NZ-OD2 3Å; K127-E231 WeakPolarHBondContact CE-OE2 3.36Å
128	L	95.1	Very high	93.7	Very high	7 Å²	7	16.4 Å²	16.4	4%	0.037	8%	0.083	C	C	.	.	H	α-helix	trans	-58.4	-32.1	174.8	-68.6	170.6	0	0	0	113.3	Y124 F420 P428 V431 P449	Y124-L128 HydrophobicContact CD1-CD1 4.12Å; Y124-L128 HydrophobicContact CD1-CG 4.45Å; Y124-L128 HydrophobicContact CE1-CD1 3.87Å; Y124-L128 HydrophobicContact CE1-CD2 4.42Å; Y124-L128 HydrophobicContact CE1-CG 4.16Å; Y124-L128 PolarHBondContact O-N 2.89Å; L128-F420 HydrophobicContact CB-CE2 4.01Å; L128-F420 HydrophobicContact CB-CZ 4.4Å; L128-F420 HydrophobicContact CD2-CE2 4.34Å; L128-F420 HydrophobicContact CD2-CZ 4.16Å; L128-F420 WeakPolarHBondContact O-CD2 3.44Å; L128-F420 WeakPolarHBondContact O-CE2 3.23Å; L128-P428 HydrophobicContact CB-CB 4.17Å; L128-P428 HydrophobicContact CD1-CB 3.74Å; L128-P428 WeakPolarHBondContact CD1-O 3.16Å; L128-V431 HydrophobicContact CD1-CB 3.93Å; L128-V431 HydrophobicContact CD1-CG1 3.99Å; L128-V431 HydrophobicContact CD2-CG1 3.89Å; L128-P449 HydrophobicContact CD2-CB 3.84Å
129	L	96.7	Very high	93.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-94	-21.2	-175.5	-64.7	178.7	0	0	0	114.4	C126 K127 I132 L133 L232 V413 M416 E417 F420 P428	C126-L129 PolarHBondContact O-N 3.34Å; K127-L129 PolarHBondContact O-N 3Å; L129-I132 WeakPolarHBondContact O-CB 3.29Å; L129-I132 PolarHBondContact O-N 2.98Å; L129-L133 PolarHBondContact O-N 3.35Å; L129-L232 HydrophobicContact CB-CD2 4.46Å; L129-V413 HydrophobicContact CD1-CB 4.47Å; L129-V413 HydrophobicContact CD1-CG1 3.64Å; L129-V413 HydrophobicContact CD1-CG2 4.47Å; L129-M416 HydrophobicContact CD2-CB 4.04Å; L129-E417 HydrophobicContact CD1-CG 3.95Å; L129-E417 HydrophobicContact CD2-CG 4.33Å; L129-F420 HydrophobicContact CD2-CB 3.98Å; L129-F420 HydrophobicContact CD2-CD2 4.24Å; L129-F420 HydrophobicContact CD2-CG 4.34Å; L129-P428 HydrophobicContact CD2-CG 4.14Å
130	S	95.8	Very high	93.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-58.2	-40.8	-178.9	-155.6	0	0	0	0	114.5	C126 K127 I132 L133 A134 L232 W234 H235	C126-S130 PolarHBondContact O-N 3.48Å; K127-S130 PolarHBondContact O-N 3.25Å; S130-I132 PolarHBondContact O-N 3.28Å; S130-L133 PolarHBondContact O-N 2.67Å; S130-A134 PolarHBondContact O-N 2.91Å; S130-L232 WeakPolarHBondContact CA-O 3.21Å; S130-L232 VanDerWaalsContact CB-O 3.28Å; S130-L232 WeakPolarHBondContact CB-O 3.35Å; S130-L232 PolarHBondContact OG-O 3.4Å; S130-W234 PolarHBondContact OG-N 3.27Å; S130-H235 VanDerWaalsContact OG-CB 3.31Å; S130-H235 WeakPolarHBondContact OG-CB 3.39Å; S130-H235 PolarHBondContact OG-N 3.09Å; S130-H235 VanDerWaalsContact OG-N 3.08Å
131	P	95.6	Very high	93.8	Very high	24 Å²	24	31.5 Å²	31.5	16%	0.156	14%	0.144	C	C	.	.	H	α-helix	trans	-62.4	-26	174.7	-19.4	28.5	0	0	0	114.1	K127	K127-P131 WeakPolarHBondContact O-CD 3.38Å
132	I	96.9	Very high	93.7	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-79.4	-48.4	175.3	-50.7	-59.3	0	0	0	109.6	L129 S130 A134 R135 Y136 M416 V419 F420 K423	L129-I132 WeakPolarHBondContact O-CB 3.29Å; L129-I132 PolarHBondContact O-N 2.98Å; S130-I132 PolarHBondContact O-N 3.28Å; I132-A134 PolarHBondContact O-N 3.22Å; I132-A134 VanDerWaalsContact O-N 3.16Å; I132-R135 PolarHBondContact O-N 2.86Å; I132-Y136 HydrophobicContact CG2-CD2 3.78Å; I132-Y136 HydrophobicContact CG2-CE2 4.4Å; I132-Y136 HydrophobicContact CG2-CG 4.12Å; I132-Y136 PolarHBondContact O-N 3.11Å; I132-M416 HydrophobicContact CB-SD 4.42Å; I132-M416 HydrophobicContact CG2-CB 4.49Å; I132-M416 HydrophobicContact CG2-SD 3.7Å; I132-V419 HydrophobicContact CG2-CB 3.93Å; I132-V419 HydrophobicContact CG2-CG1 3.54Å; I132-F420 HydrophobicContact CG1-CD2 4.27Å; I132-K423 HydrophobicContact CD1-CD 3.92Å
133	L	95.6	Very high	93.7	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-57.6	-27.6	176.5	-79.3	168.9	0	0	0	113.9	L129 S130 R135 L232 L412 M416	L129-L133 PolarHBondContact O-N 3.35Å; S130-L133 PolarHBondContact O-N 2.67Å; L133-R135 PolarHBondContact O-N 3.12Å; L133-L232 HydrophobicContact CD1-CB 3.87Å; L133-L232 HydrophobicContact CD1-CD2 3.85Å; L133-L232 HydrophobicContact CD1-CG 4.37Å; L133-L232 WeakPolarHBondContact CD1-O 3.44Å; L133-L412 HydrophobicContact CD2-CD1 3.78Å; L133-L412 HydrophobicContact CD2-CD2 3.97Å; L133-L412 HydrophobicContact CD2-CG 3.83Å; L133-M416 HydrophobicContact CD2-CE 4.38Å; L133-M416 HydrophobicContact CD2-CG 3.53Å; L133-M416 HydrophobicContact CD2-SD 3.82Å; L133-M416 HydrophobicContact CG-CG 3.78Å; L133-M416 HydrophobicContact CG-SD 4.16Å
134	A	96.4	Very high	93.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.8	173.9	0	0	0	0	0	113.4	S130 I132 L156 F157 A236	S130-A134 PolarHBondContact O-N 2.91Å; I132-A134 PolarHBondContact O-N 3.22Å; I132-A134 VanDerWaalsContact O-N 3.16Å; A134-L156 HydrophobicContact CB-CD1 4.18Å; A134-L156 CarbonylContact O-C 3.56Å; A134-L156 WeakPolarHBondContact O-CA 3.42Å; A134-L156 WeakPolarHBondContact O-CD1 3.13Å; A134-F157 PolarHBondContact O-N 3.42Å; A134-A236 HydrophobicContact CB-CB 4.34Å
135	R	96.8	Very high	93.9	Very high	107 Å²	107	45.1 Å²	45.1	40%	0.404	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-13.1	-173.3	-66.9	174.6	174.3	76.9	6.5	114.5	I132 L133 L148 E239	I132-R135 PolarHBondContact O-N 2.86Å; L133-R135 PolarHBondContact O-N 3.12Å; R135-L148 WeakPolarHBondContact O-CG 3.47Å; R135-L148 PolarHBondContact O-N 3.13Å; R135-E239 IonicContact CZ-OE1 2.65Å; R135-E239 IonicContact NH1-OE1 2.76Å; R135-E239 PolarHBondContact NH1-OE1 2.77Å; R135-E239 IonicContact NH2-OE1 3.21Å; R135-E239 PolarHBondContact NH2-OE1 2.75Å; R135-E239 IonicContact NH2-OE2 2.81Å
136	Y	96.8	Very high	94.1	Very high	67 Å²	67	49.3 Å²	49.3	26%	0.263	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.6	179.6	-71	-104.7	0	0	0	111.6	I132 A145 K146 L147 V419	I132-Y136 HydrophobicContact CG2-CD2 3.78Å; I132-Y136 HydrophobicContact CG2-CE2 4.4Å; I132-Y136 HydrophobicContact CG2-CG 4.12Å; I132-Y136 PolarHBondContact O-N 3.11Å; Y136-A145 HydrophobicContact CD1-CB 4.49Å; Y136-K146 CarbonylContact C-O 3.58Å; Y136-K146 WeakPolarHBondContact CA-O 3.39Å; Y136-L147 HydrophobicContact CD1-CD2 4.02Å; Y136-L147 HydrophobicContact CD1-CG 4.2Å; Y136-L147 HydrophobicContact CD2-CD2 3.91Å; Y136-L147 HydrophobicContact CE1-CD2 3.66Å; Y136-L147 HydrophobicContact CE1-CG 3.78Å; Y136-L147 HydrophobicContact CE2-CD2 3.51Å; Y136-L147 HydrophobicContact CG-CD2 4.15Å; Y136-V419 HydrophobicContact CD1-CG1 4.07Å; Y136-V419 HydrophobicContact CD1-CG2 3.98Å; Y136-V419 HydrophobicContact CD2-CG1 4.2Å; Y136-V419 HydrophobicContact CE1-CG1 3.76Å; Y136-V419 HydrophobicContact CE1-CG2 4.07Å; Y136-V419 HydrophobicContact CE2-CG1 3.92Å; Y136-V419 HydrophobicContact CG-CG1 4.28Å
137	G	94.4	Very high	94.2	Very high	9 Å²	9	51.1 Å²	51.1	9%	0.093	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	177.5	167.1	0	0	0	0	0	111.5	A145 K146 M416	G137-A145 CarbonylContact O-C 3.55Å; G137-A145 VanDerWaalsContact O-CA 3.27Å; G137-A145 WeakPolarHBondContact O-CA 3.48Å; G137-K146 PolarHBondContact N-O 3.28Å; G137-K146 PolarHBondContact O-N 2.72Å; G137-M416 WeakPolarHBondContact O-CE 3.46Å
138	M	95	Very high	94.4	Very high	7 Å²	7	50.4 Å²	50.4	3%	0.034	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.1	168.5	175.3	-178.4	57.6	0	0	109.5	K140 R144 Y408 R411 L412 A415	M138-K140 PolarHBondContact O-N 3.33Å; M138-R144 WeakPolarHBondContact CA-O 3.26Å; M138-Y408 HydrophobicContact CE-CD2 3.68Å; M138-Y408 HydrophobicContact CE-CE2 3.28Å; M138-R411 HydrophobicContact CE-CB 3.92Å; M138-R411 HydrophobicContact SD-CB 3.72Å; M138-L412 HydrophobicContact CB-CD1 3.73Å; M138-L412 HydrophobicContact CE-CB 4.11Å; M138-A415 HydrophobicContact CB-CB 4.43Å; M138-A415 HydrophobicContact CG-CB 4.29Å; M138-A415 HydrophobicContact SD-CB 4.42Å
139	D	91.9	Very high	94.4	Very high	41 Å²	41	57 Å²	57	22%	0.219	27%	0.265	C	S	.	.			trans	-65.9	130.9	167.6	166.1	37.6	0	0	0	110	Q141 T142 G143 R144	D139-Q141 VanDerWaalsContact C-N 3.34Å; D139-Q141 PolarHBondContact O-N 2.93Å; D139-Q141 PolarHBondContact OD1-N 3.28Å; D139-T142 VanDerWaalsContact OD2-CB 3.31Å; D139-T142 WeakPolarHBondContact OD2-CB 3.37Å; D139-T142 WeakPolarHBondContact OD2-CG2 3.28Å; D139-T142 PolarHBondContact OD2-N 2.68Å; D139-T142 PolarHBondContact OD2-OG1 3.14Å; D139-G143 WeakPolarHBondContact O-CA 3.43Å; D139-G143 PolarHBondContact O-N 3.12Å; D139-R144 PolarHBondContact N-O 2.84Å
140	K	87.1	Confident	94.3	Very high	165 Å²	165	60.3 Å²	60.3	72%	0.717	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-31.9	-178.4	-66.6	172.9	-177.7	170	0	112.5	M138	M138-K140 PolarHBondContact O-N 3.33Å
141	Q	88.4	Confident	94.1	Very high	182 Å²	182	62.6 Å²	62.6	85%	0.85	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-60.8	-175.9	-61.9	-173.6	1.1	0	0	111.3	D139	D139-Q141 VanDerWaalsContact C-N 3.34Å; D139-Q141 PolarHBondContact O-N 2.93Å; D139-Q141 PolarHBondContact OD1-N 3.28Å
142	T	90.1	Very high	94	Very high	96 Å²	96	69 Å²	69	59%	0.589	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-25.5	179.6	60.4	0	0	0	0	113.3	D139 R144	D139-T142 VanDerWaalsContact OD2-CB 3.31Å; D139-T142 WeakPolarHBondContact OD2-CB 3.37Å; D139-T142 WeakPolarHBondContact OD2-CG2 3.28Å; D139-T142 PolarHBondContact OD2-N 2.68Å; D139-T142 PolarHBondContact OD2-OG1 3.14Å; T142-R144 PolarHBondContact O-N 2.87Å; T142-R144 PolarHBondContact OG1-N 3.25Å
143	G	91.4	Very high	93.7	Very high	18 Å²	18	73 Å²	73	19%	0.186	35%	0.346	C	S	.	.			trans	75	4.4	-172.8	0	0	0	0	0	115.1	D139	D139-G143 WeakPolarHBondContact O-CA 3.43Å; D139-G143 PolarHBondContact O-N 3.12Å
144	R	94	Very high	93.6	Very high	169 Å²	169	75 Å²	75	64%	0.638	37%	0.366	S	S	*	.			trans	-89.8	161.1	178.8	-70.5	-176.5	171.6	174.8	-2.6	111.8	M138 D139 T142	M138-R144 WeakPolarHBondContact CA-O 3.26Å; D139-R144 PolarHBondContact N-O 2.84Å; T142-R144 PolarHBondContact O-N 2.87Å; T142-R144 PolarHBondContact OG1-N 3.25Å
145	A	95.6	Very high	93.4	Very high	26 Å²	26	82.5 Å²	82.5	22%	0.215	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	149.8	171.3	0	0	0	0	0	111.8	Y136 G137 A415 M416 V419	Y136-A145 HydrophobicContact CD1-CB 4.49Å; G137-A145 CarbonylContact O-C 3.55Å; G137-A145 VanDerWaalsContact O-CA 3.27Å; G137-A145 WeakPolarHBondContact O-CA 3.48Å; A145-A415 HydrophobicContact CB-CB 4.08Å; A145-A415 VanDerWaalsContact CB-O 3.3Å; A145-A415 WeakPolarHBondContact CB-O 3.47Å; A145-M416 HydrophobicContact CB-CE 3.69Å; A145-V419 HydrophobicContact CB-CG2 3.34Å
146	K	95.4	Very high	93.3	Very high	94 Å²	94	78.6 Å²	78.6	41%	0.409	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	150.2	172.3	-155.2	-172.8	-172.5	-163.8	0	109.3	Y136 G137 D150 M151	Y136-K146 CarbonylContact C-O 3.58Å; Y136-K146 WeakPolarHBondContact CA-O 3.39Å; G137-K146 PolarHBondContact N-O 3.28Å; G137-K146 PolarHBondContact O-N 2.72Å; K146-D150 HydrophobicContact CD-CB 4.08Å; K146-D150 WeakPolarHBondContact CE-O 3.32Å; K146-D150 HydrophobicContact CG-CB 4.16Å; K146-D150 PolarHBondContact NZ-O 3Å; K146-M151 HydrophobicContact CB-CG 4Å; K146-M151 HydrophobicContact CB-SD 3.96Å; K146-M151 HydrophobicContact CD-CG 3.83Å; K146-M151 HydrophobicContact CG-CG 4.29Å
147	L	96.6	Very high	93.3	Very high	38 Å²	38	76.9 Å²	76.9	20%	0.199	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	139.7	172.3	-73	166.8	0	0	0	110.2	Y136 R149 D150 M151	Y136-L147 HydrophobicContact CD1-CD2 4.02Å; Y136-L147 HydrophobicContact CD1-CG 4.2Å; Y136-L147 HydrophobicContact CD2-CD2 3.91Å; Y136-L147 HydrophobicContact CE1-CD2 3.66Å; Y136-L147 HydrophobicContact CE1-CG 3.78Å; Y136-L147 HydrophobicContact CE2-CD2 3.51Å; Y136-L147 HydrophobicContact CG-CD2 4.15Å; L147-R149 VanDerWaalsContact C-N 3.28Å; L147-R149 HydrophobicContact CB-CG 4.08Å; L147-R149 PolarHBondContact O-N 3.12Å; L147-D150 HydrophobicContact CB-CB 4.35Å; L147-D150 PolarHBondContact O-N 2.89Å; L147-M151 PolarHBondContact O-N 3.41Å
148	L	95.9	Very high	93.4	Very high	2 Å²	2	79.8 Å²	79.8	1%	0.01	40%	0.396	C	S	.	.	S	Bend	trans	-60.6	-38.4	-177.6	-67.5	167.5	0	0	0	112	R135 D150 M151 N152 Q153 G154 F157	R135-L148 WeakPolarHBondContact O-CG 3.47Å; R135-L148 PolarHBondContact O-N 3.13Å; L148-D150 VanDerWaalsContact C-N 3.29Å; L148-D150 PolarHBondContact O-N 3.21Å; L148-M151 CarbonylContact O-C 3.56Å; L148-M151 WeakPolarHBondContact O-CA 3.13Å; L148-M151 WeakPolarHBondContact O-CB 3.36Å; L148-M151 PolarHBondContact O-N 3.21Å; L148-N152 PolarHBondContact O-N 2.92Å; L148-Q153 HydrophobicContact CB-CB 4.12Å; L148-Q153 HydrophobicContact CD2-CB 4.16Å; L148-Q153 WeakPolarHBondContact O-CB 3.42Å; L148-Q153 PolarHBondContact O-N 3.32Å; L148-G154 CarbonylContact C-O 3.49Å; L148-G154 VanDerWaalsContact CB-O 3.3Å; L148-G154 WeakPolarHBondContact CB-O 3.47Å; L148-F157 HydrophobicContact CD1-CB 3.76Å; L148-F157 VanDerWaalsContact CD1-N 3.27Å
149	R	95.6	Very high	93.5	Very high	144 Å²	144	79.4 Å²	79.4	54%	0.543	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-60.3	-38.9	175.1	53.4	156.9	-155.2	-141.6	1.2	112.1	L147 M151 N152 G154	L147-R149 VanDerWaalsContact C-N 3.28Å; L147-R149 HydrophobicContact CB-CG 4.08Å; L147-R149 PolarHBondContact O-N 3.12Å; R149-M151 PolarHBondContact O-N 3.03Å; R149-N152 PolarHBondContact O-N 2.82Å; R149-G154 VanDerWaalsContact CA-O 3.27Å; R149-G154 WeakPolarHBondContact CA-O 3.37Å; R149-G154 PolarHBondContact N-O 3.12Å
150	D	94.5	Very high	93.7	Very high	71 Å²	71	78.5 Å²	78.5	38%	0.38	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-76.1	-6.7	177.5	-47.7	-5.7	0	0	0	111.8	K146 L147 L148	K146-D150 HydrophobicContact CD-CB 4.08Å; K146-D150 WeakPolarHBondContact CE-O 3.32Å; K146-D150 HydrophobicContact CG-CB 4.16Å; K146-D150 PolarHBondContact NZ-O 3Å; L147-D150 HydrophobicContact CB-CB 4.35Å; L147-D150 PolarHBondContact O-N 2.89Å; L148-D150 VanDerWaalsContact C-N 3.29Å; L148-D150 PolarHBondContact O-N 3.21Å
151	M	92.6	Very high	94	Very high	47 Å²	47	74.7 Å²	74.7	23%	0.232	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-101.6	4.3	169.8	-62.4	177.7	63.1	0	0	112.5	K146 L147 L148 R149 Q153	K146-M151 HydrophobicContact CB-CG 4Å; K146-M151 HydrophobicContact CB-SD 3.96Å; K146-M151 HydrophobicContact CD-CG 3.83Å; K146-M151 HydrophobicContact CG-CG 4.29Å; L147-M151 PolarHBondContact O-N 3.41Å; L148-M151 CarbonylContact O-C 3.56Å; L148-M151 WeakPolarHBondContact O-CA 3.13Å; L148-M151 WeakPolarHBondContact O-CB 3.36Å; L148-M151 PolarHBondContact O-N 3.21Å; R149-M151 PolarHBondContact O-N 3.03Å; M151-Q153 VanDerWaalsContact C-N 3.3Å; M151-Q153 HydrophobicContact CB-CB 4.49Å; M151-Q153 HydrophobicContact CB-CG 4.06Å; M151-Q153 PolarHBondContact O-N 3.5Å
152	N	92.3	Very high	94.3	Very high	160 Å²	160	66.5 Å²	66.5	86%	0.856	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	34.6	-170.2	-55.7	-38.7	0	0	0	113.7	L148 R149	L148-N152 PolarHBondContact O-N 2.92Å; R149-N152 PolarHBondContact O-N 2.82Å
153	Q	91.9	Very high	94.4	Very high	88 Å²	88	62 Å²	62	41%	0.411	31%	0.314	S	S	.	.	S	Bend	trans	-111.4	19.5	-177.8	-65.4	-178.5	-15.3	0	0	113.5	L148 M151	L148-Q153 HydrophobicContact CB-CB 4.12Å; L148-Q153 HydrophobicContact CD2-CB 4.16Å; L148-Q153 WeakPolarHBondContact O-CB 3.42Å; L148-Q153 PolarHBondContact O-N 3.32Å; M151-Q153 VanDerWaalsContact C-N 3.3Å; M151-Q153 HydrophobicContact CB-CB 4.49Å; M151-Q153 HydrophobicContact CB-CG 4.06Å; M151-Q153 PolarHBondContact O-N 3.5Å
154	G	92.3	Very high	94.4	Very high	43 Å²	43	61.8 Å²	61.8	44%	0.443	31%	0.309	S	S	.	.			trans	79.2	-179.3	-177.6	0	0	0	0	0	113.8	L148 R149	L148-G154 CarbonylContact C-O 3.49Å; L148-G154 VanDerWaalsContact CB-O 3.3Å; L148-G154 WeakPolarHBondContact CB-O 3.47Å; R149-G154 VanDerWaalsContact CA-O 3.27Å; R149-G154 WeakPolarHBondContact CA-O 3.37Å; R149-G154 PolarHBondContact N-O 3.12Å
155	E	93.3	Very high	94.4	Very high	158 Å²	158	56.7 Å²	56.7	74%	0.738	29%	0.289	S	S	*	.	S	Bend	trans	-81	-24.4	179.2	-59.1	-164	131.6	0	0	113.5
156	L	95.1	Very high	94.3	Very high	26 Å²	26	55.5 Å²	55.5	14%	0.136	28%	0.279	C	S	.	.	S	Bend	trans	-123.9	147	-176.6	-170	75.7	0	0	0	109.4	A134 D158 E239 N240	A134-L156 HydrophobicContact CB-CD1 4.18Å; A134-L156 CarbonylContact O-C 3.56Å; A134-L156 WeakPolarHBondContact O-CA 3.42Å; A134-L156 WeakPolarHBondContact O-CD1 3.13Å; L156-D158 PolarHBondContact O-N 3.28Å; L156-E239 HydrophobicContact CD1-CB 3.59Å; L156-E239 HydrophobicContact CD1-CG 4.04Å; L156-E239 HydrophobicContact CD2-CB 3.68Å; L156-E239 HydrophobicContact CG-CB 4.25Å; L156-N240 WeakPolarHBondContact CD2-ND2 3.44Å
157	F	96.6	Very high	94.4	Very high	30 Å²	30	52.2 Å²	52.2	13%	0.132	27%	0.265	C	S	.	.			trans	-63.2	113.5	174.7	179.3	-92.6	0	0	0	111.2	A134 L148 C159 L161 L162 F233 A236 N240	A134-F157 PolarHBondContact O-N 3.42Å; L148-F157 HydrophobicContact CD1-CB 3.76Å; L148-F157 VanDerWaalsContact CD1-N 3.27Å; F157-C159 PolarHBondContact O-N 3.45Å; F157-C159 VanDerWaalsContact O-N 3.13Å; F157-L161 HydrophobicContact CZ-CB 4.41Å; F157-L162 HydrophobicContact CE1-CD1 3.93Å; F157-L162 HydrophobicContact CE1-CD2 4.42Å; F157-L162 HydrophobicContact CE1-CG 3.91Å; F157-L162 HydrophobicContact CZ-CD1 4.47Å; F157-L162 HydrophobicContact CZ-CD2 4.17Å; F157-L162 HydrophobicContact CZ-CG 4.12Å; F157-F233 AromaticContact CD1-CD1 3.96Å; F157-F233 HydrophobicContact CD1-CD1 3.96Å; F157-F233 HydrophobicContact CD1-CE1 4.07Å; F157-F233 HydrophobicContact CD2-CE1 4.42Å; F157-F233 AromaticContact CE1-CD1 3.74Å; F157-F233 HydrophobicContact CE1-CD1 3.74Å; F157-F233 AromaticContact CE1-CE1 3.65Å; F157-F233 HydrophobicContact CE1-CE1 3.65Å; F157-F233 HydrophobicContact CE2-CE1 4.04Å; F157-F233 HydrophobicContact CG-CE1 4.44Å; F157-F233 HydrophobicContact CZ-CD1 4.22Å; F157-F233 AromaticContact CZ-CE1 3.64Å; F157-F233 HydrophobicContact CZ-CE1 3.64Å; F157-F233 HydrophobicContact CZ-CZ 4.38Å; F157-A236 HydrophobicContact CB-CB 4.39Å; F157-A236 HydrophobicContact CD1-CB 4.25Å; F157-N240 PolarHBondContact O-ND2 2.78Å; F157-N240 PolarHBondContact O-OD1 2.7Å
158	D	95.9	Very high	94.3	Very high	70 Å²	70	51.5 Å²	51.5	37%	0.374	26%	0.262	S	S	.	.			trans	-62.8	108.9	173.6	172.4	17.3	0	0	0	111.2	L156 A160 L161	L156-D158 PolarHBondContact O-N 3.28Å; D158-A160 VanDerWaalsContact C-N 3.27Å; D158-A160 PolarHBondContact O-N 3.44Å; D158-A160 WeakPolarHBondContact OD1-CB 3.45Å; D158-A160 PolarHBondContact OD1-N 3.35Å; D158-L161 HydrophobicContact CB-CD1 4.08Å; D158-L161 HydrophobicContact CB-CG 4.05Å; D158-L161 WeakPolarHBondContact O-CB 3.48Å; D158-L161 WeakPolarHBondContact O-CG 3.4Å; D158-L161 PolarHBondContact O-N 3.01Å
159	C	97.1	Very high	94.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-69.7	-18.1	179.4	-79	0	0	0	0	113.9	F157 L161 L162 L237 N240 V297 L298	F157-C159 PolarHBondContact O-N 3.45Å; F157-C159 VanDerWaalsContact O-N 3.13Å; C159-L161 PolarHBondContact O-N 2.99Å; C159-L162 WeakPolarHBondContact O-CB 3.1Å; C159-L162 PolarHBondContact O-N 2.83Å; C159-L237 HydrophobicContact CB-CD2 4.14Å; C159-N240 HydrophobicContact CB-CB 4.32Å; C159-N240 PolarHBondContact N-OD1 2.86Å; C159-N240 PolarHBondContact SG-ND2 2.88Å; C159-V297 HydrophobicContact CB-CG1 3.61Å; C159-L298 HydrophobicContact CB-CD2 4.24Å; C159-L298 WeakPolarHBondContact O-CD2 3.2Å
160	A	95.2	Very high	94.1	Very high	22 Å²	22	47.2 Å²	47.2	18%	0.182	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-63.5	-22.5	173.9	0	0	0	0	0	112	D158 L162 G163 V297	D158-A160 VanDerWaalsContact C-N 3.27Å; D158-A160 PolarHBondContact O-N 3.44Å; D158-A160 WeakPolarHBondContact OD1-CB 3.45Å; D158-A160 PolarHBondContact OD1-N 3.35Å; A160-L162 PolarHBondContact O-N 2.91Å; A160-L162 VanDerWaalsContact O-N 3.15Å; A160-G163 PolarHBondContact O-N 2.89Å; A160-V297 PolarHBondContact N-O 3.01Å
161	L	93.7	Very high	94	Very high	85 Å²	85	47.5 Å²	47.5	45%	0.445	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-63.1	-15.4	171.9	-59.3	177.4	0	0	0	114	F157 D158 C159	F157-L161 HydrophobicContact CZ-CB 4.41Å; D158-L161 HydrophobicContact CB-CD1 4.08Å; D158-L161 HydrophobicContact CB-CG 4.05Å; D158-L161 WeakPolarHBondContact O-CB 3.48Å; D158-L161 WeakPolarHBondContact O-CG 3.4Å; D158-L161 PolarHBondContact O-N 3.01Å; C159-L161 PolarHBondContact O-N 2.99Å
162	L	94.4	Very high	93.8	Very high	9 Å²	9	52 Å²	52	5%	0.047	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-94.4	-6.1	172	-57.5	177.5	0	0	0	113	F157 C159 A160 D164 R165 L227 V228 F233 L298	F157-L162 HydrophobicContact CE1-CD1 3.93Å; F157-L162 HydrophobicContact CE1-CD2 4.42Å; F157-L162 HydrophobicContact CE1-CG 3.91Å; F157-L162 HydrophobicContact CZ-CD1 4.47Å; F157-L162 HydrophobicContact CZ-CD2 4.17Å; F157-L162 HydrophobicContact CZ-CG 4.12Å; C159-L162 WeakPolarHBondContact O-CB 3.1Å; C159-L162 PolarHBondContact O-N 2.83Å; A160-L162 PolarHBondContact O-N 2.91Å; A160-L162 VanDerWaalsContact O-N 3.15Å; L162-D164 PolarHBondContact O-N 3.32Å; L162-D164 VanDerWaalsContact O-N 3.14Å; L162-R165 WeakPolarHBondContact O-CB 3.31Å; L162-R165 PolarHBondContact O-N 3.05Å; L162-L227 HydrophobicContact CB-CD1 4.07Å; L162-L227 HydrophobicContact CD1-CD1 4.32Å; L162-V228 HydrophobicContact CD2-CG1 4.19Å; L162-F233 HydrophobicContact CD1-CB 4.13Å; L162-F233 HydrophobicContact CD1-CD1 3.98Å; L162-F233 HydrophobicContact CD1-CD2 4.03Å; L162-F233 HydrophobicContact CD1-CE1 4.41Å; L162-F233 HydrophobicContact CD1-CE2 4.46Å; L162-F233 HydrophobicContact CD1-CG 3.77Å; L162-F233 HydrophobicContact CD2-CZ 4.47Å; L162-L298 HydrophobicContact CB-CD2 4.47Å
163	G	92.4	Very high	93.8	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.01	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-34.1	-178	0	0	0	0	0	113.7	A160 R165 L298 R300 N339	A160-G163 PolarHBondContact O-N 2.89Å; G163-R165 VanDerWaalsContact C-N 3.33Å; G163-R165 PolarHBondContact O-N 3.22Å; G163-L298 VanDerWaalsContact CA-O 3.28Å; G163-L298 WeakPolarHBondContact CA-O 3.44Å; G163-R300 WeakPolarHBondContact O-CD 3.49Å; G163-R300 PolarHBondContact O-NH1 2.88Å; G163-N339 PolarHBondContact O-OD1 3.48Å
164	D	91.5	Very high	93.8	Very high	15 Å²	15	41.4 Å²	41.4	8%	0.08	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	4.4	177.6	96.9	-42.4	0	0	0	114.9	L162 R402	L162-D164 PolarHBondContact O-N 3.32Å; L162-D164 VanDerWaalsContact O-N 3.14Å; D164-R402 WeakPolarHBondContact O-CB 3.12Å; D164-R402 VanDerWaalsContact O-CD 3.25Å; D164-R402 WeakPolarHBondContact O-CD 3.15Å; D164-R402 IonicContact OD2-CZ 3.95Å; D164-R402 IonicContact OD2-NE 2.73Å; D164-R402 IonicContact OD2-NH1 2.83Å; D164-R402 PolarHBondContact OD2-NH1 3.06Å
165	R	94.3	Very high	93.7	Very high	61 Å²	61	44.5 Å²	44.5	23%	0.23	23%	0.226	C	C	.	.			trans	-109.1	135.8	-169.2	-58.7	-62.6	165.4	158.5	-6.4	115	L162 G163 L227 R300 R402 S403	L162-R165 WeakPolarHBondContact O-CB 3.31Å; L162-R165 PolarHBondContact O-N 3.05Å; G163-R165 VanDerWaalsContact C-N 3.33Å; G163-R165 PolarHBondContact O-N 3.22Å; R165-L227 CarbonylContact C-O 3.55Å; R165-L227 VanDerWaalsContact O-CD2 3.28Å; R165-L227 WeakPolarHBondContact O-CD2 3.25Å; R165-R300 PolarHBondContact O-NH1 2.69Å; R165-R402 WeakPolarHBondContact CA-O 3.26Å; R165-R402 VanDerWaalsContact CD-O 3.27Å; R165-R402 WeakPolarHBondContact CD-O 3.36Å; R165-S403 PolarHBondContact NH1-O 2.97Å; R165-S403 VanDerWaalsContact NH1-O 3.12Å
166	A	94.6	Very high	93.5	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.008	19%	0.193	C	C	.	.			trans	-137.1	137.8	174.5	0	0	0	0	0	110.7	L227 G400 R402 S403	A166-L227 CarbonylContact C-O 3.54Å; A166-G400 VanDerWaalsContact CB-N 3.28Å; A166-R402 PolarHBondContact N-O 3.4Å; A166-S403 VanDerWaalsContact O-CA 3.26Å; A166-S403 WeakPolarHBondContact O-CA 3.32Å
167	F	95.8	Very high	93.1	Very high	26 Å²	26	38 Å²	38	11%	0.114	20%	0.198	C	C	.	.			trans	-82.6	132.8	172.9	-179.1	-121.6	0	0	0	110.9	I169 Y179 R225 A226 L227 G229 V358	F167-I169 HydrophobicContact CE1-CB 3.72Å; F167-I169 HydrophobicContact CE1-CD1 4.45Å; F167-I169 HydrophobicContact CE1-CG1 4.1Å; F167-I169 HydrophobicContact CZ-CB 3.9Å; F167-I169 HydrophobicContact CZ-CG1 4.02Å; F167-Y179 HydrophobicContact CZ-CE1 4.4Å; F167-R225 WeakPolarHBondContact CB-O 3.44Å; F167-A226 PolarHBondContact N-O 2.8Å; F167-L227 PolarHBondContact N-O 2.8Å; F167-G229 VanDerWaalsContact CD1-CA 3.45Å; F167-V358 HydrophobicContact CD1-CB 4.28Å; F167-V358 HydrophobicContact CD1-CG1 4.21Å; F167-V358 HydrophobicContact CD1-CG2 4.27Å; F167-V358 HydrophobicContact CE1-CG2 4.48Å
168	L	95.2	Very high	92.7	Very high	23 Å²	23	36.7 Å²	36.7	12%	0.12	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123	165.4	-60.5	176.7	0	0	0	107.1	G359 K361 L365	L168-G359 CarbonylContact C-O 3.49Å; L168-G359 VanDerWaalsContact CA-O 3.24Å; L168-G359 WeakPolarHBondContact CA-O 3.26Å; L168-K361 HydrophobicContact CB-CB 3.89Å; L168-K361 HydrophobicContact CB-CG 4.25Å; L168-L365 HydrophobicContact CD1-CD2 4.3Å; L168-L365 HydrophobicContact CD2-CD2 4.36Å
169	I	94.6	Very high	92.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	137.7	-177.1	-167.3	165.1	0	0	0	111	F167 H173 V174 Y179 I208 V210 V358 G359 I360 K361	F167-I169 HydrophobicContact CE1-CB 3.72Å; F167-I169 HydrophobicContact CE1-CD1 4.45Å; F167-I169 HydrophobicContact CE1-CG1 4.1Å; F167-I169 HydrophobicContact CZ-CB 3.9Å; F167-I169 HydrophobicContact CZ-CG1 4.02Å; I169-H173 HydrophobicContact CD1-CB 4.45Å; I169-H173 HydrophobicContact CG1-CB 4.19Å; I169-V174 HydrophobicContact CG2-CG2 3.85Å; I169-Y179 HydrophobicContact CD1-CD1 4.47Å; I169-Y179 HydrophobicContact CD1-CE1 4.41Å; I169-I208 HydrophobicContact CD1-CD1 4.47Å; I169-I208 HydrophobicContact CG2-CD1 3.84Å; I169-I208 HydrophobicContact CG2-CG1 4.37Å; I169-V210 HydrophobicContact CD1-CG2 4.07Å; I169-V358 HydrophobicContact CB-CG2 4.37Å; I169-V358 HydrophobicContact CG2-CG2 4.28Å; I169-G359 PolarHBondContact N-O 2.8Å; I169-I360 HydrophobicContact CG2-CG1 4.1Å; I169-K361 WeakPolarHBondContact O-CB 3.43Å; I169-K361 PolarHBondContact O-N 2.78Å
170	E	93.1	Very high	92.3	Very high	55 Å²	55	33.9 Å²	33.9	26%	0.257	18%	0.178	S	C	.	.			trans	-65.2	135.4	171.5	-62.4	-67.8	179.8	0	0	110.4	E172 H173 V174 K361	E170-E172 HydrophobicContact CB-CG 4Å; E170-E172 PolarHBondContact O-N 3.15Å; E170-E172 VanDerWaalsContact O-N 3.14Å; E170-H173 HydrophobicContact CB-CB 4.43Å; E170-H173 PolarHBondContact O-N 3.21Å; E170-V174 PolarHBondContact O-N 3.18Å; E170-K361 VanDerWaalsContact CD-CD 3.44Å; E170-K361 WeakPolarHBondContact OE1-CD 3.4Å; E170-K361 WeakPolarHBondContact OE1-CE 3.35Å; E170-K361 IonicContact OE1-NZ 3.21Å; E170-K361 PolarHBondContact OE1-NZ 3.48Å; E170-K361 VanDerWaalsContact OE2-CD 3.23Å; E170-K361 WeakPolarHBondContact OE2-CD 3.29Å; E170-K361 IonicContact OE2-NZ 2.71Å
171	P	91.8	Very high	92.3	Very high	77 Å²	77	34.5 Å²	34.5	50%	0.5	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-51.8	-38	-179.6	-29.5	35.4	0	0	0	114.5	H173 V174 I360	P171-H173 VanDerWaalsContact C-N 3.27Å; P171-H173 PolarHBondContact O-N 3.26Å; P171-V174 WeakPolarHBondContact O-CB 3.24Å; P171-V174 WeakPolarHBondContact O-CG2 3.2Å; P171-V174 PolarHBondContact O-N 2.81Å; P171-I360 HydrophobicContact CG-CG2 3.97Å
172	E	88.8	Confident	92.2	Very high	143 Å²	143	30.5 Å²	30.5	67%	0.668	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-62.9	-30	177.2	67.9	-164.2	-163.5	0	0	113.5	E170	E170-E172 HydrophobicContact CB-CG 4Å; E170-E172 PolarHBondContact O-N 3.15Å; E170-E172 VanDerWaalsContact O-N 3.14Å
173	H	91.6	Very high	91.7	Very high	14 Å²	14	37.8 Å²	37.8	7%	0.065	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-91.4	-7.6	-177.6	-69.4	110.8	0	0	0	113.5	V118 I169 E170 P171 N175 T176 Y179 G180	V118-H173 WeakPolarHBondContact CG1-CD2 3.46Å; V118-H173 WeakPolarHBondContact CG1-NE2 3.46Å; I169-H173 HydrophobicContact CD1-CB 4.45Å; I169-H173 HydrophobicContact CG1-CB 4.19Å; E170-H173 HydrophobicContact CB-CB 4.43Å; E170-H173 PolarHBondContact O-N 3.21Å; P171-H173 VanDerWaalsContact C-N 3.27Å; P171-H173 PolarHBondContact O-N 3.26Å; H173-N175 PolarHBondContact O-N 2.85Å; H173-T176 WeakPolarHBondContact O-CB 3.5Å; H173-T176 PolarHBondContact O-N 3.12Å; H173-T176 VanDerWaalsContact O-N 3.12Å; H173-T176 PolarHBondContact O-OG1 3.11Å; H173-Y179 HydrophobicContact CB-CD1 4Å; H173-Y179 HydrophobicContact CB-CE1 3.91Å; H173-G180 WeakPolarHBondContact O-CA 3.44Å
174	V	92.6	Very high	91	Very high	11 Å²	11	41.3 Å²	41.3	7%	0.067	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-34.5	-178.4	169.5	0	0	0	0	112.7	I169 E170 P171 G180 K181 I208 I360	I169-V174 HydrophobicContact CG2-CG2 3.85Å; E170-V174 PolarHBondContact O-N 3.18Å; P171-V174 WeakPolarHBondContact O-CB 3.24Å; P171-V174 WeakPolarHBondContact O-CG2 3.2Å; P171-V174 PolarHBondContact O-N 2.81Å; V174-G180 WeakPolarHBondContact O-CA 3.43Å; V174-K181 HydrophobicContact CG1-CD 4.1Å; V174-K181 HydrophobicContact CG1-CG 4.01Å; V174-K181 PolarHBondContact O-N 3.43Å; V174-I208 HydrophobicContact CB-CD1 4.48Å; V174-I208 HydrophobicContact CG1-CD1 3.93Å; V174-I208 HydrophobicContact CG2-CD1 4.17Å; V174-I360 HydrophobicContact CG2-CD1 4.4Å
175	N	89.7	Confident	90.7	Very high	107 Å²	107	42.1 Å²	42.1	57%	0.572	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-5.5	-178.1	-71.1	-44.8	0	0	0	114.1	H173 V177 R183	H173-N175 PolarHBondContact O-N 2.85Å; N175-V177 PolarHBondContact O-N 2.87Å; N175-R183 PolarHBondContact O-NH2 3.24Å
176	T	90.1	Very high	90.4	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.043	21%	0.208	C	C	.	.			trans	-67.9	119.9	-173.1	-57.7	0	0	0	0	111.8	Q74 V116 V118 H173 G178 Y179 G180	Q74-T176 HydrophobicContact CB-CG2 4.43Å; Q74-T176 HydrophobicContact CG-CG2 3.79Å; V116-T176 HydrophobicContact CG1-CG2 4.09Å; V118-T176 HydrophobicContact CG2-CG2 3.71Å; H173-T176 WeakPolarHBondContact O-CB 3.5Å; H173-T176 PolarHBondContact O-N 3.12Å; H173-T176 VanDerWaalsContact O-N 3.12Å; H173-T176 PolarHBondContact O-OG1 3.11Å; T176-G178 PolarHBondContact O-N 2.75Å; T176-Y179 PolarHBondContact O-N 3.23Å; T176-Y179 VanDerWaalsContact O-N 3.12Å; T176-G180 PolarHBondContact O-N 2.89Å
177	V	87.3	Confident	90.2	Very high	40 Å²	40	42.2 Å²	42.2	24%	0.242	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	133.3	178.8	175.2	0	0	0	0	110.2	T113 V116 N175 Y179	T113-V177 HydrophobicContact CG2-CG1 3.9Å; V116-V177 WeakPolarHBondContact CG1-O 3.41Å; N175-V177 PolarHBondContact O-N 2.87Å; V177-Y179 PolarHBondContact O-N 3.22Å
178	G	87	Confident	90.1	Very high	4 Å²	4	48.2 Å²	48.2	4%	0.041	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	-9.5	-177.9	0	0	0	0	0	115.9	N123 T176	N123-G178 PolarHBondContact ND2-O 3.45Å; N123-G178 VanDerWaalsContact ND2-O 3.16Å; T176-G178 PolarHBondContact O-N 2.75Å
179	Y	92.4	Very high	90.1	Very high	10 Å²	10	49.6 Å²	49.6	4%	0.039	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129	-43.2	-176	-173.9	-96.8	0	0	0	115.2	V118 F167 I169 H173 T176 V177 V210 R225 G229 R230	V118-Y179 HydrophobicContact CB-CD1 4.28Å; V118-Y179 HydrophobicContact CB-CD2 4.08Å; V118-Y179 HydrophobicContact CB-CE1 4.5Å; V118-Y179 HydrophobicContact CB-CE2 4.34Å; V118-Y179 HydrophobicContact CB-CG 4.05Å; V118-Y179 HydrophobicContact CG1-CD1 3.97Å; V118-Y179 HydrophobicContact CG1-CD2 4.41Å; V118-Y179 HydrophobicContact CG1-CE1 3.83Å; V118-Y179 HydrophobicContact CG1-CE2 4.31Å; V118-Y179 HydrophobicContact CG1-CG 4.24Å; V118-Y179 HydrophobicContact CG2-CD1 4Å; V118-Y179 HydrophobicContact CG2-CD2 4.12Å; V118-Y179 HydrophobicContact CG2-CG 3.67Å; F167-Y179 HydrophobicContact CZ-CE1 4.4Å; I169-Y179 HydrophobicContact CD1-CD1 4.47Å; I169-Y179 HydrophobicContact CD1-CE1 4.41Å; H173-Y179 HydrophobicContact CB-CD1 4Å; H173-Y179 HydrophobicContact CB-CE1 3.91Å; T176-Y179 PolarHBondContact O-N 3.23Å; T176-Y179 VanDerWaalsContact O-N 3.12Å; V177-Y179 PolarHBondContact O-N 3.22Å; Y179-V210 WeakPolarHBondContact O-CG1 3.17Å; Y179-R225 PolarHBondContact O-NH2 3.04Å; Y179-R225 VanDerWaalsContact O-NH2 3.12Å; Y179-G229 WeakPolarHBondContact CE2-O 3.28Å; Y179-R230 VanDerWaalsContact CE2-CZ 3.5Å
180	G	93.4	Very high	90.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-89.5	-140.8	177	0	0	0	0	0	112.4	H173 V174 T176 D182 V210 H211	H173-G180 WeakPolarHBondContact O-CA 3.44Å; V174-G180 WeakPolarHBondContact O-CA 3.43Å; T176-G180 PolarHBondContact O-N 2.89Å; G180-D182 PolarHBondContact O-N 3.08Å; G180-V210 WeakPolarHBondContact O-CA 3.33Å; G180-H211 PolarHBondContact O-N 2.7Å
181	K	94.1	Very high	90.2	Very high	35 Å²	35	51.6 Å²	51.6	15%	0.152	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-50.6	127.9	-176.9	-75.4	-172.8	-175.4	-174.1	0	111.7	V174 L187 E205 I208 P209	V174-K181 HydrophobicContact CG1-CD 4.1Å; V174-K181 HydrophobicContact CG1-CG 4.01Å; V174-K181 PolarHBondContact O-N 3.43Å; K181-L187 HydrophobicContact CB-CD1 4.41Å; K181-L187 HydrophobicContact CD-CD1 4.49Å; K181-L187 HydrophobicContact CD-CD2 4.43Å; K181-E205 IonicContact NZ-OE1 3Å; K181-E205 PolarHBondContact NZ-OE1 3.26Å; K181-E205 IonicContact NZ-OE2 2.79Å; K181-E205 PolarHBondContact NZ-OE2 3.46Å; K181-I208 HydrophobicContact CG-CB 4.37Å; K181-I208 HydrophobicContact CG-CD1 3.85Å; K181-P209 VanDerWaalsContact CA-O 3.28Å; K181-P209 WeakPolarHBondContact CA-O 3.36Å
182	D	91.8	Very high	90.4	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.011	27%	0.27	C	S	.	.			trans	-64	143.9	174.7	178	51.2	0	0	0	111.4	G180 S184 S186 L187 P209 H211	G180-D182 PolarHBondContact O-N 3.08Å; D182-S184 PolarHBondContact OD1-N 3.08Å; D182-S184 WeakPolarHBondContact OD2-CB 3.2Å; D182-S184 PolarHBondContact OD2-N 3Å; D182-S184 VanDerWaalsContact OD2-N 3.11Å; D182-S184 PolarHBondContact OD2-OG 2.94Å; D182-S186 WeakPolarHBondContact CB-OG 3.22Å; D182-S186 WeakPolarHBondContact OD2-CB 3.44Å; D182-S186 PolarHBondContact OD2-OG 2.87Å; D182-L187 WeakPolarHBondContact O-CD1 3.34Å; D182-P209 PolarHBondContact N-O 3.13Å; D182-H211 HydrophobicContact CB-CB 4.32Å; D182-H211 IonicContact OD1-CE1 3.34Å; D182-H211 IonicContact OD1-CG 3.26Å; D182-H211 IonicContact OD1-ND1 2.93Å; D182-H211 PolarHBondContact OD1-ND1 2.83Å
183	R	84.6	Confident	90.7	Very high	161 Å²	161	45.8 Å²	45.8	61%	0.608	24%	0.238	S	C	*	.			trans	-122.1	9.7	-177.7	-54	-170.6	-175	-155.1	4.3	113	N175 G185	N175-R183 PolarHBondContact O-NH2 3.24Å; R183-G185 PolarHBondContact O-N 3.21Å
184	S	77.4	Confident	90.9	Very high	76 Å²	76	46.2 Å²	46.2	53%	0.531	24%	0.241	S	C	.	.	S	Bend	trans	-71	-17.3	179.9	73.7	0	0	0	0	114.3	D182	D182-S184 PolarHBondContact OD1-N 3.08Å; D182-S184 WeakPolarHBondContact OD2-CB 3.2Å; D182-S184 PolarHBondContact OD2-N 3Å; D182-S184 VanDerWaalsContact OD2-N 3.11Å; D182-S184 PolarHBondContact OD2-OG 2.94Å
185	G	84.3	Confident	91	Very high	32 Å²	32	49.1 Å²	49.1	33%	0.33	25%	0.254	S	S	.	.	S	Bend	trans	132.9	-14.5	-175	0	0	0	0	0	113.5	R183 L187 L188 Y189	R183-G185 PolarHBondContact O-N 3.21Å; G185-L187 VanDerWaalsContact C-N 3.32Å; G185-L187 PolarHBondContact O-N 2.83Å; G185-L188 WeakPolarHBondContact O-CB 3.39Å; G185-L188 PolarHBondContact O-N 2.84Å; G185-Y189 PolarHBondContact O-N 3.44Å
186	S	88.8	Confident	91.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-51.4	-40.6	-179.5	57.9	0	0	0	0	115.3	D182 L188 Y189 L190 S347	D182-S186 WeakPolarHBondContact CB-OG 3.22Å; D182-S186 WeakPolarHBondContact OD2-CB 3.44Å; D182-S186 PolarHBondContact OD2-OG 2.87Å; S186-L188 PolarHBondContact O-N 3.02Å; S186-Y189 PolarHBondContact O-N 3.24Å; S186-Y189 VanDerWaalsContact O-N 3.12Å; S186-L190 WeakPolarHBondContact O-CB 3.42Å; S186-L190 PolarHBondContact O-N 2.98Å; S186-S347 VanDerWaalsContact CA-O 3.25Å; S186-S347 WeakPolarHBondContact CA-O 3.41Å; S186-S347 PolarHBondContact N-O 3.16Å
187	L	90.3	Very high	91.5	Very high	64 Å²	64	45.7 Å²	45.7	34%	0.335	24%	0.236	S	C	.	.	H	α-helix	trans	-59.9	-30	176	-73.8	169.3	0	0	0	113.3	K181 D182 G185 P209	K181-L187 HydrophobicContact CB-CD1 4.41Å; K181-L187 HydrophobicContact CD-CD1 4.49Å; K181-L187 HydrophobicContact CD-CD2 4.43Å; D182-L187 WeakPolarHBondContact O-CD1 3.34Å; G185-L187 VanDerWaalsContact C-N 3.32Å; G185-L187 PolarHBondContact O-N 2.83Å; L187-P209 HydrophobicContact CD2-CG 3.51Å; L187-P209 HydrophobicContact CG-CG 4.11Å
188	L	93.5	Very high	91.9	Very high	151 Å²	151	46.8 Å²	46.8	79%	0.791	24%	0.237	S	C	*	.	H	α-helix	trans	-82.9	-38.4	173.4	-64.1	171	0	0	0	111.1	G185 S186 H191	G185-L188 WeakPolarHBondContact O-CB 3.39Å; G185-L188 PolarHBondContact O-N 2.84Å; S186-L188 PolarHBondContact O-N 3.02Å; L188-H191 WeakPolarHBondContact O-CB 3.45Å
189	Y	95.1	Very high	92.2	Very high	52 Å²	52	54.5 Å²	54.5	20%	0.204	27%	0.265	C	S	.	.	H	α-helix	trans	-70.4	-40.2	-177.4	-173.2	-118.9	0	0	0	113.5	G185 S186 D306 S307 W346 S348 S349	G185-Y189 PolarHBondContact O-N 3.44Å; S186-Y189 PolarHBondContact O-N 3.24Å; S186-Y189 VanDerWaalsContact O-N 3.12Å; Y189-D306 WeakPolarHBondContact CE1-OD1 3.32Å; Y189-D306 VanDerWaalsContact CZ-OD1 3.31Å; Y189-D306 PolarHBondContact OH-OD1 3Å; Y189-S307 VanDerWaalsContact CZ-OG 3.23Å; Y189-S307 VanDerWaalsContact O-CB 3.28Å; Y189-S307 WeakPolarHBondContact O-CB 3.49Å; Y189-S307 PolarHBondContact OH-OG 2.94Å; Y189-W346 HydrophobicContact CE1-CB 4.41Å; Y189-S348 VanDerWaalsContact CD1-CA 3.47Å; Y189-S349 VanDerWaalsContact CZ-N 3.28Å; Y189-S349 WeakPolarHBondContact OH-CA 3.32Å
190	L	95.2	Very high	92.2	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	28%	0.282	C	S	.	.	S	Bend	trans	-94.2	3.8	-179.1	-59	176.6	0	0	0	112.9	S186 D192 T193 L194 A345 I355 L357	S186-L190 WeakPolarHBondContact O-CB 3.42Å; S186-L190 PolarHBondContact O-N 2.98Å; L190-D192 PolarHBondContact O-N 3.38Å; L190-T193 WeakPolarHBondContact O-CB 3.39Å; L190-T193 PolarHBondContact O-N 3.11Å; L190-L194 HydrophobicContact CB-CD1 3.87Å; L190-L194 HydrophobicContact CB-CG 4.06Å; L190-L194 WeakPolarHBondContact O-CG 3.38Å; L190-L194 PolarHBondContact O-N 2.85Å; L190-A345 HydrophobicContact CD1-CB 3.62Å; L190-A345 HydrophobicContact CD2-CB 4.27Å; L190-I355 HydrophobicContact CD1-CD1 4.05Å; L190-L357 HydrophobicContact CD1-CD2 4.24Å
191	H	94.9	Very high	92.2	Very high	95 Å²	95	57.2 Å²	57.2	44%	0.44	29%	0.287	S	S	.	.	H	α-helix	trans	-44.2	-57.9	-172.7	175.5	-90.9	0	0	0	113.1	L188 T193 L194 E195	L188-H191 WeakPolarHBondContact O-CB 3.45Å; H191-T193 VanDerWaalsContact C-N 3.35Å; H191-T193 PolarHBondContact O-N 3.13Å; H191-L194 PolarHBondContact O-N 2.85Å; H191-E195 PolarHBondContact O-N 3.31Å
192	D	94.9	Very high	92.1	Very high	96 Å²	96	64.3 Å²	64.3	51%	0.513	32%	0.318	S	S	.	.	H	α-helix	trans	-69.6	-33.7	-175.1	-54.5	-21.1	0	0	0	112.2	L190 D196 L308	L190-D192 PolarHBondContact O-N 3.38Å; D192-D196 PolarHBondContact O-N 3.48Å; D192-D196 VanDerWaalsContact O-N 3.1Å; D192-L308 HydrophobicContact CB-CD1 3.56Å; D192-L308 HydrophobicContact CB-CG 3.88Å
193	T	95.4	Very high	92.1	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.012	35%	0.346	C	S	.	.	H	α-helix	trans	-64.4	-42.1	173.8	-54.2	0	0	0	0	110.6	L190 H191 I197 L305 D306 S307 L308 M311	L190-T193 WeakPolarHBondContact O-CB 3.39Å; L190-T193 PolarHBondContact O-N 3.11Å; H191-T193 VanDerWaalsContact C-N 3.35Å; H191-T193 PolarHBondContact O-N 3.13Å; T193-I197 HydrophobicContact CG2-CD1 4.33Å; T193-I197 VanDerWaalsContact O-CG1 3.3Å; T193-I197 WeakPolarHBondContact O-CG1 3.42Å; T193-I197 PolarHBondContact O-N 2.89Å; T193-I197 VanDerWaalsContact O-N 3.14Å; T193-L305 HydrophobicContact CG2-CD1 4.3Å; T193-D306 PolarHBondContact OG1-O 3.44Å; T193-S307 WeakPolarHBondContact OG1-CA 3.22Å; T193-L308 PolarHBondContact OG1-N 2.86Å; T193-M311 HydrophobicContact CG2-CE 3.78Å
194	L	95.7	Very high	92.4	Very high	23 Å²	23	66.2 Å²	66.2	12%	0.12	34%	0.343	C	S	.	.	H	α-helix	trans	-72.2	-38.6	179.2	-67.6	169.8	0	0	0	112.2	L190 H191 I197 K198 P209	L190-L194 HydrophobicContact CB-CD1 3.87Å; L190-L194 HydrophobicContact CB-CG 4.06Å; L190-L194 WeakPolarHBondContact O-CG 3.38Å; L190-L194 PolarHBondContact O-N 2.85Å; H191-L194 PolarHBondContact O-N 2.85Å; L194-I197 PolarHBondContact O-N 3.4Å; L194-K198 WeakPolarHBondContact O-CB 3.3Å; L194-K198 PolarHBondContact O-N 3.27Å; L194-P209 HydrophobicContact CD1-CG 3.98Å
195	E	95.7	Very high	93	Very high	72 Å²	72	66.9 Å²	66.9	34%	0.336	34%	0.338	S	S	.	.	H	α-helix	trans	-66.3	-35.9	175.4	-76	-63.4	126.2	0	0	112.5	H191 K198 R199	H191-E195 PolarHBondContact O-N 3.31Å; E195-K198 PolarHBondContact O-N 3.1Å; E195-K198 VanDerWaalsContact OE1-CD 3.22Å; E195-K198 WeakPolarHBondContact OE1-CD 3.4Å; E195-K198 IonicContact OE1-NZ 3.02Å; E195-K198 PolarHBondContact OE1-NZ 3.16Å; E195-K198 WeakPolarHBondContact OE2-CD 3.28Å; E195-K198 IonicContact OE2-NZ 3.08Å; E195-K198 PolarHBondContact OE2-NZ 3.05Å; E195-R199 VanDerWaalsContact O-CB 3.32Å; E195-R199 WeakPolarHBondContact O-CB 3.41Å; E195-R199 PolarHBondContact O-N 3.07Å
196	D	94.3	Very high	93.4	Very high	40 Å²	40	65.6 Å²	65.6	21%	0.214	32%	0.324	C	S	.	.	H	α-helix	trans	-73	-34.2	173.9	-86.7	-9.3	0	0	0	113	D192 R199 A200 L372	D192-D196 PolarHBondContact O-N 3.48Å; D192-D196 VanDerWaalsContact O-N 3.1Å; D196-R199 WeakPolarHBondContact O-CB 3.39Å; D196-R199 PolarHBondContact O-N 3.01Å; D196-R199 IonicContact OD1-CZ 3.78Å; D196-R199 IonicContact OD1-NE 3.24Å; D196-R199 PolarHBondContact OD1-NE 3.26Å; D196-R199 IonicContact OD1-NH2 3.64Å; D196-R199 PolarHBondContact OD1-NH2 3.11Å; D196-A200 PolarHBondContact O-N 2.76Å; D196-A200 VanDerWaalsContact O-N 3.08Å; D196-L372 HydrophobicContact CB-CD1 4.01Å
197	I	95.1	Very high	93.6	Very high	3 Å²	3	66 Å²	66	2%	0.015	33%	0.326	C	S	.	.	H	α-helix	trans	-61.8	-50.5	168.7	-69.1	170	0	0	0	110	T193 L194 R199 A200 N201 L207 L305 L368 L372	T193-I197 HydrophobicContact CG2-CD1 4.33Å; T193-I197 VanDerWaalsContact O-CG1 3.3Å; T193-I197 WeakPolarHBondContact O-CG1 3.42Å; T193-I197 PolarHBondContact O-N 2.89Å; T193-I197 VanDerWaalsContact O-N 3.14Å; L194-I197 PolarHBondContact O-N 3.4Å; I197-R199 VanDerWaalsContact C-N 3.31Å; I197-R199 PolarHBondContact O-N 3.32Å; I197-A200 WeakPolarHBondContact O-CB 3.46Å; I197-A200 PolarHBondContact O-N 2.93Å; I197-A200 VanDerWaalsContact O-N 3.13Å; I197-N201 PolarHBondContact O-N 2.84Å; I197-N201 PolarHBondContact O-ND2 3.49Å; I197-L207 HydrophobicContact CD1-CD2 3.91Å; I197-L207 HydrophobicContact CG2-CB 4.28Å; I197-L207 HydrophobicContact CG2-CD2 4.26Å; I197-L305 HydrophobicContact CD1-CD1 3.99Å; I197-L368 HydrophobicContact CD1-CD1 3.84Å; I197-L368 HydrophobicContact CG1-CD1 4Å; I197-L372 HydrophobicContact CD1-CD1 4.41Å; I197-L372 HydrophobicContact CG1-CD1 3.6Å
198	K	95.1	Very high	93.8	Very high	63 Å²	63	63 Å²	63	27%	0.274	31%	0.31	S	S	.	.	H	α-helix	trans	-55.6	-43.7	176.3	173.6	-169.4	174.3	-160.1	0	111.7	L194 E195 A200 N201 S203	L194-K198 WeakPolarHBondContact O-CB 3.3Å; L194-K198 PolarHBondContact O-N 3.27Å; E195-K198 PolarHBondContact O-N 3.1Å; E195-K198 VanDerWaalsContact OE1-CD 3.22Å; E195-K198 WeakPolarHBondContact OE1-CD 3.4Å; E195-K198 IonicContact OE1-NZ 3.02Å; E195-K198 PolarHBondContact OE1-NZ 3.16Å; E195-K198 WeakPolarHBondContact OE2-CD 3.28Å; E195-K198 IonicContact OE2-NZ 3.08Å; E195-K198 PolarHBondContact OE2-NZ 3.05Å; K198-A200 PolarHBondContact O-N 2.72Å; K198-N201 CarbonylContact O-C 3.56Å; K198-N201 VanDerWaalsContact O-C 3.28Å; K198-N201 WeakPolarHBondContact O-CA 3.43Å; K198-N201 PolarHBondContact O-N 3.5Å; K198-S203 CarbonylContact O-C 3.59Å; K198-S203 WeakPolarHBondContact O-CA 3.3Å; K198-S203 PolarHBondContact O-N 3.17Å
199	R	93.9	Very high	94	Very high	165 Å²	165	55.8 Å²	55.8	62%	0.623	27%	0.272	S	S	*	.	H	α-helix	trans	-57.1	-47.1	174.5	-167.3	-163.4	-49.8	-83	-1.5	111.8	E195 D196 I197 N201	E195-R199 VanDerWaalsContact O-CB 3.32Å; E195-R199 WeakPolarHBondContact O-CB 3.41Å; E195-R199 PolarHBondContact O-N 3.07Å; D196-R199 WeakPolarHBondContact O-CB 3.39Å; D196-R199 PolarHBondContact O-N 3.01Å; D196-R199 IonicContact OD1-CZ 3.78Å; D196-R199 IonicContact OD1-NE 3.24Å; D196-R199 PolarHBondContact OD1-NE 3.26Å; D196-R199 IonicContact OD1-NH2 3.64Å; D196-R199 PolarHBondContact OD1-NH2 3.11Å; I197-R199 VanDerWaalsContact C-N 3.31Å; I197-R199 PolarHBondContact O-N 3.32Å; R199-N201 PolarHBondContact O-N 2.85Å
200	A	91.8	Very high	94	Very high	49 Å²	49	53.4 Å²	53.4	41%	0.405	26%	0.263	S	S	.	.	H	α-helix	trans	-64.1	-27.4	175.6	0	0	0	0	0	113	D196 I197 K198 K202 P369	D196-A200 PolarHBondContact O-N 2.76Å; D196-A200 VanDerWaalsContact O-N 3.08Å; I197-A200 WeakPolarHBondContact O-CB 3.46Å; I197-A200 PolarHBondContact O-N 2.93Å; I197-A200 VanDerWaalsContact O-N 3.13Å; K198-A200 PolarHBondContact O-N 2.72Å; A200-K202 PolarHBondContact O-N 3.43Å; A200-P369 HydrophobicContact CB-CB 3.91Å; A200-P369 HydrophobicContact CB-CG 3.82Å
201	N	93.8	Very high	94	Very high	19 Å²	19	54.5 Å²	54.5	10%	0.102	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	49.9	178.8	-68.5	-90.4	0	0	0	112.2	I197 K198 R199 S203 Q204 C206 K367	I197-N201 PolarHBondContact O-N 2.84Å; I197-N201 PolarHBondContact O-ND2 3.49Å; K198-N201 CarbonylContact O-C 3.56Å; K198-N201 VanDerWaalsContact O-C 3.28Å; K198-N201 WeakPolarHBondContact O-CA 3.43Å; K198-N201 PolarHBondContact O-N 3.5Å; R199-N201 PolarHBondContact O-N 2.85Å; N201-S203 PolarHBondContact O-N 2.89Å; N201-Q204 WeakPolarHBondContact O-CB 3.25Å; N201-Q204 PolarHBondContact O-N 2.84Å; N201-C206 HydrophobicContact CB-CB 4.42Å; N201-C206 WeakPolarHBondContact CB-SG 3.25Å; N201-K367 PolarHBondContact ND2-O 2.92Å; N201-K367 WeakPolarHBondContact OD1-CB 3.44Å; N201-K367 PolarHBondContact OD1-N 2.87Å
202	K	92.7	Very high	93.8	Very high	184 Å²	184	50.1 Å²	50.1	80%	0.8	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	31.3	175.6	-53.1	175.8	-177.4	175.6	0	113.7	A200 Q204	A200-K202 PolarHBondContact O-N 3.43Å; K202-Q204 PolarHBondContact O-N 3.14Å
203	S	92.1	Very high	93.3	Very high	85 Å²	85	45.9 Å²	45.9	59%	0.594	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	16.2	-173.2	-57	0	0	0	0	115.4	K198 N201	K198-S203 CarbonylContact O-C 3.59Å; K198-S203 WeakPolarHBondContact O-CA 3.3Å; K198-S203 PolarHBondContact O-N 3.17Å; N201-S203 PolarHBondContact O-N 2.89Å
204	Q	91.3	Very high	92.6	Very high	117 Å²	117	48.9 Å²	48.9	55%	0.547	26%	0.257	S	S	.	.			trans	-94.1	136.7	177.5	-61.9	-175.2	-32.5	0	0	111.3	N201 K202 C206	N201-Q204 WeakPolarHBondContact O-CB 3.25Å; N201-Q204 PolarHBondContact O-N 2.84Å; K202-Q204 PolarHBondContact O-N 3.14Å; Q204-C206 PolarHBondContact O-N 2.81Å
205	E	89.9	Confident	91.8	Very high	91 Å²	91	50.7 Å²	50.7	43%	0.425	27%	0.266	S	S	.	.			trans	-72.4	96.8	170.5	-173.3	-178.5	-128.4	0	0	108.8	K181 I208	K181-E205 IonicContact NZ-OE1 3Å; K181-E205 PolarHBondContact NZ-OE1 3.26Å; K181-E205 IonicContact NZ-OE2 2.79Å; K181-E205 PolarHBondContact NZ-OE2 3.46Å; E205-I208 HydrophobicContact CG-CG2 3.81Å
206	C	91.4	Very high	91.1	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.034	27%	0.273	C	S	.	.			trans	-102.3	-28.1	-179	56.7	0	0	0	0	113.1	N201 Q204 G359 I360 P366	N201-C206 HydrophobicContact CB-CB 4.42Å; N201-C206 WeakPolarHBondContact CB-SG 3.25Å; Q204-C206 PolarHBondContact O-N 2.81Å; C206-G359 CarbonylContact O-C 3.55Å; C206-G359 VanDerWaalsContact O-CA 3.28Å; C206-G359 WeakPolarHBondContact O-CA 3.28Å; C206-I360 PolarHBondContact O-N 3.18Å; C206-I360 VanDerWaalsContact O-N 3.08Å; C206-P366 HydrophobicContact CB-CB 4.29Å; C206-P366 HydrophobicContact CB-CG 4.1Å; C206-P366 WeakPolarHBondContact O-CG 3.47Å
207	L	93.8	Very high	90.9	Very high	9 Å²	9	48.5 Å²	48.5	5%	0.047	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.5	-174.8	-168.4	76.8	0	0	0	109.4	I197 L357 V358 P366 I398	I197-L207 HydrophobicContact CD1-CD2 3.91Å; I197-L207 HydrophobicContact CG2-CB 4.28Å; I197-L207 HydrophobicContact CG2-CD2 4.26Å; L207-L357 HydrophobicContact CD1-CB 4.1Å; L207-L357 HydrophobicContact CD2-CB 3.87Å; L207-L357 HydrophobicContact CD2-CD1 4.02Å; L207-L357 HydrophobicContact CG-CB 3.9Å; L207-V358 WeakPolarHBondContact CA-O 3.44Å; L207-P366 HydrophobicContact CB-CB 3.93Å; L207-P366 HydrophobicContact CB-CG 4.09Å; L207-P366 HydrophobicContact CD1-CB 3.9Å; L207-P366 HydrophobicContact CD1-CG 3.83Å; L207-P366 HydrophobicContact CG-CB 4.42Å; L207-I398 HydrophobicContact CD1-CG2 4.1Å
208	I	95.1	Very high	90.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.5	-177.7	65.7	165.1	0	0	0	113	I169 V174 K181 E205 V210 L357 V358 I360	I169-I208 HydrophobicContact CD1-CD1 4.47Å; I169-I208 HydrophobicContact CG2-CD1 3.84Å; I169-I208 HydrophobicContact CG2-CG1 4.37Å; V174-I208 HydrophobicContact CB-CD1 4.48Å; V174-I208 HydrophobicContact CG1-CD1 3.93Å; V174-I208 HydrophobicContact CG2-CD1 4.17Å; K181-I208 HydrophobicContact CG-CB 4.37Å; K181-I208 HydrophobicContact CG-CD1 3.85Å; E205-I208 HydrophobicContact CG-CG2 3.81Å; I208-V210 HydrophobicContact CD1-CG2 4.1Å; I208-V210 HydrophobicContact CG1-CG2 4.23Å; I208-V210 PolarHBondContact O-N 3.15Å; I208-L357 WeakPolarHBondContact O-CA 3.3Å; I208-V358 HydrophobicContact CG1-CG2 4.07Å; I208-V358 PolarHBondContact N-O 3.45Å; I208-V358 PolarHBondContact O-N 3.27Å; I208-I360 HydrophobicContact CG2-CD1 4.03Å; I208-I360 HydrophobicContact CG2-CG1 4.36Å
209	P	96.7	Very high	90.8	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	118.8	168.9	28.9	-32.1	0	0	0	110.7	K181 D182 L187 L194 I355 L357	K181-P209 VanDerWaalsContact CA-O 3.28Å; K181-P209 WeakPolarHBondContact CA-O 3.36Å; D182-P209 PolarHBondContact N-O 3.13Å; L187-P209 HydrophobicContact CD2-CG 3.51Å; L187-P209 HydrophobicContact CG-CG 4.11Å; L194-P209 HydrophobicContact CD1-CG 3.98Å; P209-I355 HydrophobicContact CB-CD1 3.72Å; P209-L357 HydrophobicContact CB-CD2 3.72Å
210	V	96.2	Very high	90.9	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-100.3	148.6	179.2	149.3	0	0	0	0	111.4	I169 Y179 G180 I208 P356 V358	I169-V210 HydrophobicContact CD1-CG2 4.07Å; Y179-V210 WeakPolarHBondContact O-CG1 3.17Å; G180-V210 WeakPolarHBondContact O-CA 3.33Å; I208-V210 HydrophobicContact CD1-CG2 4.1Å; I208-V210 HydrophobicContact CG1-CG2 4.23Å; I208-V210 PolarHBondContact O-N 3.15Å; V210-P356 HydrophobicContact CB-CG 4Å; V210-P356 HydrophobicContact CG1-CG 3.94Å; V210-P356 PolarHBondContact N-O 2.87Å; V210-P356 WeakPolarHBondContact O-CD 3.31Å; V210-V358 HydrophobicContact CB-CG2 4.22Å; V210-V358 HydrophobicContact CG2-CG2 3.57Å
211	H	93.9	Very high	91.1	Very high	26 Å²	26	35.8 Å²	35.8	12%	0.12	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-64.6	146.2	179.9	-169.4	67.6	0	0	0	113.1	T113 G180 D182 D213 R225	T113-H211 WeakPolarHBondContact CB-NE2 3.39Å; T113-H211 PolarHBondContact OG1-NE2 2.91Å; G180-H211 PolarHBondContact O-N 2.7Å; D182-H211 HydrophobicContact CB-CB 4.32Å; D182-H211 IonicContact OD1-CE1 3.34Å; D182-H211 IonicContact OD1-CG 3.26Å; D182-H211 IonicContact OD1-ND1 2.93Å; D182-H211 PolarHBondContact OD1-ND1 2.83Å; H211-D213 IonicContact CD2-OD1 3.08Å; H211-D213 IonicContact NE2-OD1 2.73Å; H211-R225 VanDerWaalsContact O-CD 3.3Å; H211-R225 WeakPolarHBondContact O-CD 3.23Å; H211-R225 VanDerWaalsContact O-CZ 3.27Å; H211-R225 PolarHBondContact O-NE 3.31Å
212	V	91.6	Very high	91.2	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	20%	0.204	C	C	.	.			trans	-138.7	143.6	171.7	159.2	0	0	0	0	107.8	C218 H221 A222 H353 I355 P356	V212-C218 HydrophobicContact CG1-CB 3.67Å; V212-H221 HydrophobicContact CG1-CB 3.52Å; V212-H221 HydrophobicContact CG2-CB 4.21Å; V212-A222 HydrophobicContact CG2-CB 4.15Å; V212-H353 VanDerWaalsContact CG1-NE2 3.25Å; V212-H353 WeakPolarHBondContact CG1-NE2 3.46Å; V212-H353 PolarHBondContact O-NE2 3.29Å; V212-I355 HydrophobicContact CB-CG2 4.44Å; V212-P356 VanDerWaalsContact CG2-CD 3.45Å; V212-P356 HydrophobicContact CG2-CG 4.23Å
213	D	84.8	Confident	91.5	Very high	7 Å²	7	26.1 Å²	26.1	4%	0.037	17%	0.166	C	C	.	.			trans	-71.2	136	177.2	-66.4	-2.2	0	0	0	111.6	E114 N123 K127 H211 D215 H353	E114-D213 WeakPolarHBondContact CB-OD2 3.37Å; N123-D213 VanDerWaalsContact CB-OD2 3.32Å; N123-D213 WeakPolarHBondContact CB-OD2 3.49Å; N123-D213 PolarHBondContact ND2-OD1 3.47Å; K127-D213 VanDerWaalsContact CE-OD2 3.3Å; K127-D213 WeakPolarHBondContact CE-OD2 3.48Å; K127-D213 IonicContact NZ-OD2 2.71Å; K127-D213 PolarHBondContact NZ-OD2 2.89Å; H211-D213 IonicContact CD2-OD1 3.08Å; H211-D213 IonicContact NE2-OD1 2.73Å; D213-D215 VanDerWaalsContact C-N 3.32Å; D213-D215 PolarHBondContact O-N 3.43Å; D213-D215 VanDerWaalsContact O-N 3.12Å; D213-H353 PolarHBondContact O-NE2 2.9Å
214	G	80.2	Confident	91.7	Very high	66 Å²	66	22 Å²	22	68%	0.68	14%	0.137	S	C	*	.			trans	-85.9	54.7	-176.7	0	0	0	0	0	114.5	H353	G214-H353 VanDerWaalsContact CA-CE1 3.44Å; G214-H353 WeakPolarHBondContact CA-CE1 3.48Å; G214-H353 WeakPolarHBondContact CA-NE2 3.34Å; G214-H353 PolarHBondContact N-NE2 2.88Å
215	D	79.2	Confident	92	Very high	60 Å²	60	16.5 Å²	16.5	32%	0.321	11%	0.111	S	C	.	.	S	Bend	trans	-105.9	10.6	-169.1	62.9	9	0	0	0	115.4	K127 D213 H217 H221	K127-D215 VanDerWaalsContact CE-OD2 3.25Å; K127-D215 WeakPolarHBondContact CE-OD2 3.23Å; K127-D215 IonicContact NZ-OD2 2.57Å; K127-D215 PolarHBondContact NZ-OD2 3Å; D213-D215 VanDerWaalsContact C-N 3.32Å; D213-D215 PolarHBondContact O-N 3.43Å; D213-D215 VanDerWaalsContact O-N 3.12Å; D215-H217 PolarHBondContact O-CD2 3.18Å; D215-H217 WeakPolarHBondContact OD1-CB 3.36Å; D215-H217 IonicContact OD1-CD2 2.91Å; D215-H217 PolarHBondContact OD1-CD2 3.02Å; D215-H217 IonicContact OD1-CG 3.22Å; D215-H217 PolarHBondContact OD1-N 2.94Å; D215-H221 VanDerWaalsContact CG-NE2 3.28Å; D215-H221 IonicContact OD1-CD2 3.94Å; D215-H221 PolarHBondContact OD1-CD2 3.38Å; D215-H221 IonicContact OD1-NE2 2.72Å; D215-H221 PolarHBondContact OD1-NE2 2.63Å; D215-H221 IonicContact OD2-CD2 2.68Å; D215-H221 IonicContact OD2-CE1 2.76Å; D215-H221 IonicContact OD2-NE2 2.87Å; D215-H221 PolarHBondContact OD2-NE2 3.49Å
216	G	81.4	Confident	92.3	Very high	46 Å²	46	12.5 Å²	12.5	47%	0.474	9%	0.094	S	C	.	.	S	Bend	trans	90.7	-11.7	-174.4	0	0	0	0	0	114.8	R238	G216-R238 PolarHBondContact O-NH2 3.46Å
217	H	89.1	Confident	92.6	Very high	20 Å²	20	12.3 Å²	12.3	9%	0.093	9%	0.092	C	C	.	.			trans	-103.6	8.5	175.9	-47	-89.2	0	0	0	112.6	D215 L219 V220 H221 W234 R238 P274	D215-H217 PolarHBondContact O-CD2 3.18Å; D215-H217 WeakPolarHBondContact OD1-CB 3.36Å; D215-H217 IonicContact OD1-CD2 2.91Å; D215-H217 PolarHBondContact OD1-CD2 3.02Å; D215-H217 IonicContact OD1-CG 3.22Å; D215-H217 PolarHBondContact OD1-N 2.94Å; H217-L219 VanDerWaalsContact C-N 3.27Å; H217-L219 PolarHBondContact O-N 3.42Å; H217-V220 HydrophobicContact CB-CG2 4.01Å; H217-V220 WeakPolarHBondContact O-CG2 3.44Å; H217-V220 PolarHBondContact O-N 2.84Å; H217-H221 PolarHBondContact O-N 2.69Å; H217-W234 HydrophobicContact CB-CE3 4.12Å; H217-W234 AromaticContact CE1-CZ3 3.75Å; H217-W234 AromaticContact CG-CE3 3.99Å; H217-W234 AromaticContact CG-CZ3 3.92Å; H217-W234 AromaticContact ND1-CE3 3.79Å; H217-W234 AromaticContact ND1-CZ3 3.37Å; H217-W234 WeakPolarHBondContact ND1-CZ3 3.44Å; H217-R238 PolarHBondContact ND1-NE 3.08Å; H217-P274 PolarHBondContact CE1-O 3.37Å; H217-P274 VanDerWaalsContact CE1-O 3.27Å
218	C	92.1	Very high	92.7	Very high	11 Å²	11	12.1 Å²	12.1	7%	0.074	9%	0.091	C	C	.	.	H	α-helix	trans	-50.8	-31.8	-171.6	63.8	0	0	0	0	116.3	V212 A222 H353	V212-C218 HydrophobicContact CG1-CB 3.67Å; C218-A222 VanDerWaalsContact O-CB 3.24Å; C218-A222 WeakPolarHBondContact O-CB 3.44Å; C218-A222 PolarHBondContact O-N 3.48Å; C218-H353 WeakPolarHBondContact CB-CE1 2.99Å; C218-H353 WeakPolarHBondContact CB-ND1 3.07Å; C218-H353 PolarHBondContact SG-CE1 3.48Å
219	L	95.3	Very high	92.6	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-62.6	-51.5	173.7	178.1	60.9	0	0	0	112.1	H217 A222 V223 L286 H290 I291 L294 I344 Y354	H217-L219 VanDerWaalsContact C-N 3.27Å; H217-L219 PolarHBondContact O-N 3.42Å; L219-A222 PolarHBondContact O-N 3.06Å; L219-V223 HydrophobicContact CD1-CG2 4.49Å; L219-V223 WeakPolarHBondContact O-CG2 3.4Å; L219-V223 PolarHBondContact O-N 2.93Å; L219-L286 HydrophobicContact CB-CB 4.23Å; L219-L286 HydrophobicContact CB-CD1 4.08Å; L219-L286 HydrophobicContact CD2-CB 3.61Å; L219-L286 HydrophobicContact CD2-CD1 4.13Å; L219-H290 HydrophobicContact CD2-CB 4.12Å; L219-I291 HydrophobicContact CD1-CD1 4.29Å; L219-I291 HydrophobicContact CD1-CG1 3.93Å; L219-I291 HydrophobicContact CD2-CG1 3.81Å; L219-L294 HydrophobicContact CD2-CD1 3.8Å; L219-L294 HydrophobicContact CG-CD1 3.92Å; L219-I344 HydrophobicContact CD1-CD1 3.66Å; L219-Y354 HydrophobicContact CB-CD2 3.58Å; L219-Y354 HydrophobicContact CB-CE2 3.9Å; L219-Y354 HydrophobicContact CB-CG 4.2Å; L219-Y354 HydrophobicContact CD1-CD1 4.07Å; L219-Y354 HydrophobicContact CD1-CD2 4.03Å; L219-Y354 HydrophobicContact CD1-CE1 4.2Å; L219-Y354 HydrophobicContact CD1-CE2 4.16Å; L219-Y354 HydrophobicContact CD1-CG 3.97Å; L219-Y354 HydrophobicContact CD2-CE2 4.5Å; L219-Y354 HydrophobicContact CG-CD2 4.33Å; L219-Y354 HydrophobicContact CG-CE2 4.39Å
220	V	96.4	Very high	92.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-75	-27.3	-178.9	-70.6	0	0	0	0	112	H217 S224 W234 L237 R238 L286 L294	H217-V220 HydrophobicContact CB-CG2 4.01Å; H217-V220 WeakPolarHBondContact O-CG2 3.44Å; H217-V220 PolarHBondContact O-N 2.84Å; V220-S224 WeakPolarHBondContact O-CB 3.46Å; V220-S224 PolarHBondContact O-N 3.26Å; V220-W234 HydrophobicContact CB-CB 4.47Å; V220-W234 HydrophobicContact CG2-CB 4.02Å; V220-W234 HydrophobicContact CG2-CE3 4.39Å; V220-L237 HydrophobicContact CB-CB 4.02Å; V220-L237 HydrophobicContact CB-CD1 4.18Å; V220-L237 HydrophobicContact CG1-CB 3.78Å; V220-L237 WeakPolarHBondContact O-CD1 3.31Å; V220-R238 HydrophobicContact CG1-CG 4.12Å; V220-R238 HydrophobicContact CG2-CG 4.02Å; V220-L286 HydrophobicContact CG1-CD1 4.19Å; V220-L294 HydrophobicContact CG1-CD1 3.98Å; V220-L294 HydrophobicContact CG1-CD2 4.28Å
221	H	95.8	Very high	92.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.5	-51	165.8	-68.9	-18.2	0	0	0	111.3	V212 D215 H217 V223 S224 R225 E231 W234	V212-H221 HydrophobicContact CG1-CB 3.52Å; V212-H221 HydrophobicContact CG2-CB 4.21Å; D215-H221 VanDerWaalsContact CG-NE2 3.28Å; D215-H221 IonicContact OD1-CD2 3.94Å; D215-H221 PolarHBondContact OD1-CD2 3.38Å; D215-H221 IonicContact OD1-NE2 2.72Å; D215-H221 PolarHBondContact OD1-NE2 2.63Å; D215-H221 IonicContact OD2-CD2 2.68Å; D215-H221 IonicContact OD2-CE1 2.76Å; D215-H221 IonicContact OD2-NE2 2.87Å; D215-H221 PolarHBondContact OD2-NE2 3.49Å; H217-H221 PolarHBondContact O-N 2.69Å; H221-V223 PolarHBondContact O-N 3.34Å; H221-S224 PolarHBondContact O-N 3.02Å; H221-R225 WeakPolarHBondContact O-CB 3.37Å; H221-R225 VanDerWaalsContact O-CG 3.28Å; H221-R225 WeakPolarHBondContact O-CG 3.44Å; H221-R225 PolarHBondContact O-N 3.19Å; H221-E231 HydrophobicContact CB-CG 3.82Å; H221-E231 IonicContact CD2-OE2 3.19Å; H221-E231 IonicContact CG-OE2 2.83Å; H221-E231 IonicContact NE2-OE2 3.22Å; H221-W234 AromaticContact CE1-CD1 3.78Å; H221-W234 AromaticContact CE1-CG 3.54Å; H221-W234 WeakPolarHBondContact ND1-CB 3.42Å; H221-W234 AromaticContact ND1-CG 3.65Å
222	A	97	Very high	92.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.1	-46.3	178.6	0	0	0	0	0	111.7	V212 C218 L219 R225 A226 I344 P356	V212-A222 HydrophobicContact CG2-CB 4.15Å; C218-A222 VanDerWaalsContact O-CB 3.24Å; C218-A222 WeakPolarHBondContact O-CB 3.44Å; C218-A222 PolarHBondContact O-N 3.48Å; L219-A222 PolarHBondContact O-N 3.06Å; A222-R225 PolarHBondContact O-N 2.96Å; A222-A226 WeakPolarHBondContact O-CB 3.45Å; A222-A226 PolarHBondContact O-N 3.37Å; A222-I344 HydrophobicContact CB-CG2 4.07Å; A222-P356 HydrophobicContact CB-CB 4.39Å; A222-P356 WeakPolarHBondContact O-CB 3.39Å
223	V	98.2	Very high	92.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.1	-48.5	175	169.9	0	0	0	0	111.4	L219 H221 R225 A226 L227 L237 L294 L298 I302 I342	L219-V223 HydrophobicContact CD1-CG2 4.49Å; L219-V223 WeakPolarHBondContact O-CG2 3.4Å; L219-V223 PolarHBondContact O-N 2.93Å; H221-V223 PolarHBondContact O-N 3.34Å; V223-R225 VanDerWaalsContact C-N 3.32Å; V223-R225 PolarHBondContact O-N 3.05Å; V223-A226 PolarHBondContact O-N 2.94Å; V223-L227 HydrophobicContact CG1-CD1 3.86Å; V223-L227 VanDerWaalsContact O-CG 3.26Å; V223-L227 WeakPolarHBondContact O-CG 3.35Å; V223-L227 PolarHBondContact O-N 3.19Å; V223-L237 HydrophobicContact CB-CD1 4.23Å; V223-L237 HydrophobicContact CG1-CD1 3.85Å; V223-L237 HydrophobicContact CG1-CD2 4.14Å; V223-L294 HydrophobicContact CG2-CD1 4.39Å; V223-L298 HydrophobicContact CG1-CD1 3.65Å; V223-I302 HydrophobicContact CG2-CD1 4.41Å; V223-I342 HydrophobicContact CG1-CD1 4.13Å; V223-I342 HydrophobicContact CG2-CD1 4.33Å
224	S	97.4	Very high	93.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.4	-41.9	176.7	-173.5	0	0	0	0	112	V220 H221 L227 V228 R230 F233	V220-S224 WeakPolarHBondContact O-CB 3.46Å; V220-S224 PolarHBondContact O-N 3.26Å; H221-S224 PolarHBondContact O-N 3.02Å; S224-L227 PolarHBondContact O-N 2.71Å; S224-V228 WeakPolarHBondContact O-CG2 3.36Å; S224-V228 PolarHBondContact O-N 3.11Å; S224-R230 CarbonylContact C-O 3.59Å; S224-R230 VanDerWaalsContact C-O 3.22Å; S224-R230 WeakPolarHBondContact CB-O 3.29Å; S224-R230 PolarHBondContact OG-O 3.49Å; S224-F233 PolarHBondContact OG-N 3.19Å; S224-F233 VanDerWaalsContact OG-N 3.12Å
225	R	96.4	Very high	94	Very high	1 Å²	1	9.5 Å²	9.5	0%	0.004	6%	0.06	C	C	.	.	H	α-helix	trans	-68.4	-37.3	176.6	-69.5	-176.1	90	96.8	5.5	113	N123 F167 Y179 H211 H221 A222 V223 L227 G229 R230 E231 P356	N123-R225 PolarHBondContact ND2-NH1 3.15Å; N123-R225 PolarHBondContact OD1-NH1 3.09Å; F167-R225 WeakPolarHBondContact CB-O 3.44Å; Y179-R225 PolarHBondContact O-NH2 3.04Å; Y179-R225 VanDerWaalsContact O-NH2 3.12Å; H211-R225 VanDerWaalsContact O-CD 3.3Å; H211-R225 WeakPolarHBondContact O-CD 3.23Å; H211-R225 VanDerWaalsContact O-CZ 3.27Å; H211-R225 PolarHBondContact O-NE 3.31Å; H221-R225 WeakPolarHBondContact O-CB 3.37Å; H221-R225 VanDerWaalsContact O-CG 3.28Å; H221-R225 WeakPolarHBondContact O-CG 3.44Å; H221-R225 PolarHBondContact O-N 3.19Å; A222-R225 PolarHBondContact O-N 2.96Å; V223-R225 VanDerWaalsContact C-N 3.32Å; V223-R225 PolarHBondContact O-N 3.05Å; R225-L227 VanDerWaalsContact C-N 3.27Å; R225-L227 PolarHBondContact O-N 3.28Å; R225-G229 VanDerWaalsContact O-CA 3.23Å; R225-G229 WeakPolarHBondContact O-CA 3.15Å; R225-G229 PolarHBondContact O-N 3.34Å; R225-R230 PolarHBondContact N-O 3Å; R225-E231 HydrophobicContact CG-CG 3.85Å; R225-E231 IonicContact CZ-OE1 3.91Å; R225-E231 IonicContact NH1-OE1 3.31Å; R225-E231 PolarHBondContact NH1-OE1 3.18Å; R225-P356 HydrophobicContact CB-CB 4.48Å; R225-P356 HydrophobicContact CB-CG 3.93Å
226	A	97.3	Very high	94.8	Very high	7 Å²	7	6.7 Å²	6.7	6%	0.058	5%	0.045	C	C	.	.	H	α-helix	trans	-66.2	-29.6	174.9	0	0	0	0	0	112.7	F167 A222 V223 I342 P356	F167-A226 PolarHBondContact N-O 2.8Å; A222-A226 WeakPolarHBondContact O-CB 3.45Å; A222-A226 PolarHBondContact O-N 3.37Å; V223-A226 PolarHBondContact O-N 2.94Å; A226-I342 HydrophobicContact CB-CB 4.23Å; A226-I342 HydrophobicContact CB-CD1 4.34Å; A226-I342 HydrophobicContact CB-CG2 4.23Å; A226-P356 HydrophobicContact CB-CB 4.13Å
227	L	96.4	Very high	95.6	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-85.2	-45.1	179.1	-62.7	169.1	0	0	0	113	L162 R165 A166 F167 V223 S224 R225 L298 I342	L162-L227 HydrophobicContact CB-CD1 4.07Å; L162-L227 HydrophobicContact CD1-CD1 4.32Å; R165-L227 CarbonylContact C-O 3.55Å; R165-L227 VanDerWaalsContact O-CD2 3.28Å; R165-L227 WeakPolarHBondContact O-CD2 3.25Å; A166-L227 CarbonylContact C-O 3.54Å; F167-L227 PolarHBondContact N-O 2.8Å; V223-L227 HydrophobicContact CG1-CD1 3.86Å; V223-L227 VanDerWaalsContact O-CG 3.26Å; V223-L227 WeakPolarHBondContact O-CG 3.35Å; V223-L227 PolarHBondContact O-N 3.19Å; S224-L227 PolarHBondContact O-N 2.71Å; R225-L227 VanDerWaalsContact C-N 3.27Å; R225-L227 PolarHBondContact O-N 3.28Å; L227-L298 HydrophobicContact CD1-CD1 4Å; L227-L298 HydrophobicContact CD1-CD2 3.68Å; L227-I342 HydrophobicContact CD2-CD1 4.41Å; L227-I342 HydrophobicContact CD2-CG2 4.07Å
228	V	95.3	Very high	96	Very high	5 Å²	5	3.9 Å²	3.9	3%	0.03	2%	0.019	C	C	.	.	H	α-helix	trans	-135.9	7.8	-171	-55.7	0	0	0	0	115.8	L162 S224 R230 F233 L404	L162-V228 HydrophobicContact CD2-CG1 4.19Å; S224-V228 WeakPolarHBondContact O-CG2 3.36Å; S224-V228 PolarHBondContact O-N 3.11Å; V228-R230 HydrophobicContact CG2-CB 4.46Å; V228-R230 PolarHBondContact O-N 3.37Å; V228-R230 VanDerWaalsContact O-N 3.16Å; V228-F233 HydrophobicContact CG1-CD2 4.48Å; V228-F233 HydrophobicContact CG1-CE2 4.26Å; V228-F233 HydrophobicContact CG2-CD2 3.74Å; V228-F233 HydrophobicContact CG2-CE2 3.96Å; V228-L404 HydrophobicContact CB-CD2 4.34Å; V228-L404 HydrophobicContact CG1-CB 4.32Å; V228-L404 HydrophobicContact CG1-CD2 3.83Å
229	G	94.3	Very high	96.2	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	2%	0.024	C	C	.	.	S	Bend	trans	73.6	1.4	176.7	0	0	0	0	0	115.6	F167 Y179 R225	F167-G229 VanDerWaalsContact CD1-CA 3.45Å; Y179-G229 WeakPolarHBondContact CE2-O 3.28Å; R225-G229 VanDerWaalsContact O-CA 3.23Å; R225-G229 WeakPolarHBondContact O-CA 3.15Å; R225-G229 PolarHBondContact O-N 3.34Å
230	R	95	Very high	96.3	Very high	5 Å²	5	5.8 Å²	5.8	2%	0.019	3%	0.028	C	C	.	.	S	Bend	trans	-136.8	156.5	-176.3	-56.5	-65.1	173.6	152.7	6.2	109.9	V118 L121 Y179 S224 R225 V228 L232	V118-R230 PolarHBondContact O-NH1 2.75Å; V118-R230 PolarHBondContact O-NH2 2.87Å; L121-R230 PolarHBondContact O-NH1 2.97Å; Y179-R230 VanDerWaalsContact CE2-CZ 3.5Å; S224-R230 CarbonylContact C-O 3.59Å; S224-R230 VanDerWaalsContact C-O 3.22Å; S224-R230 WeakPolarHBondContact CB-O 3.29Å; S224-R230 PolarHBondContact OG-O 3.49Å; R225-R230 PolarHBondContact N-O 3Å; V228-R230 HydrophobicContact CG2-CB 4.46Å; V228-R230 PolarHBondContact O-N 3.37Å; V228-R230 VanDerWaalsContact O-N 3.16Å; R230-L232 HydrophobicContact CB-CB 4.33Å; R230-L232 HydrophobicContact CB-CD1 3.81Å; R230-L232 HydrophobicContact CB-CG 3.87Å; R230-L232 HydrophobicContact CG-CD1 4.12Å; R230-L232 PolarHBondContact O-N 3.36Å
231	E	94.5	Very high	96.4	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.028	C	C	.	.	S	Bend	trans	-81.3	5.8	176.7	-69.3	164.5	-158.7	0	0	112.7	N123 C126 K127 H221 R225 F233 W234	N123-E231 WeakPolarHBondContact CB-OE2 3.42Å; C126-E231 HydrophobicContact CB-CB 4.35Å; K127-E231 WeakPolarHBondContact CE-OE2 3.36Å; H221-E231 HydrophobicContact CB-CG 3.82Å; H221-E231 IonicContact CD2-OE2 3.19Å; H221-E231 IonicContact CG-OE2 2.83Å; H221-E231 IonicContact NE2-OE2 3.22Å; R225-E231 HydrophobicContact CG-CG 3.85Å; R225-E231 IonicContact CZ-OE1 3.91Å; R225-E231 IonicContact NH1-OE1 3.31Å; R225-E231 PolarHBondContact NH1-OE1 3.18Å; E231-F233 PolarHBondContact O-N 3.19Å; E231-W234 WeakPolarHBondContact O-CB 3.39Å; E231-W234 PolarHBondContact O-N 3.43Å
232	L	94.8	Very high	96.5	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-24.4	-173.4	-74.2	167	0	0	0	115.9	C126 L129 S130 L133 R230 L409 V413	C126-L232 HydrophobicContact CB-CD2 3.76Å; C126-L232 HydrophobicContact CB-CG 3.95Å; L129-L232 HydrophobicContact CB-CD2 4.46Å; S130-L232 WeakPolarHBondContact CA-O 3.21Å; S130-L232 VanDerWaalsContact CB-O 3.28Å; S130-L232 WeakPolarHBondContact CB-O 3.35Å; S130-L232 PolarHBondContact OG-O 3.4Å; L133-L232 HydrophobicContact CD1-CB 3.87Å; L133-L232 HydrophobicContact CD1-CD2 3.85Å; L133-L232 HydrophobicContact CD1-CG 4.37Å; L133-L232 WeakPolarHBondContact CD1-O 3.44Å; R230-L232 HydrophobicContact CB-CB 4.33Å; R230-L232 HydrophobicContact CB-CD1 3.81Å; R230-L232 HydrophobicContact CB-CG 3.87Å; R230-L232 HydrophobicContact CG-CD1 4.12Å; R230-L232 PolarHBondContact O-N 3.36Å; L232-L409 HydrophobicContact CD1-CD2 3.85Å; L232-V413 HydrophobicContact CD1-CG2 3.85Å; L232-V413 HydrophobicContact CD2-CG2 3.91Å
233	F	96.1	Very high	96.5	Very high	5 Å²	5	11.4 Å²	11.4	2%	0.022	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	9	-178.9	-64.3	-85.3	0	0	0	114.1	F157 L162 S224 V228 E231 H235 A236 L237 L412	F157-F233 AromaticContact CD1-CD1 3.96Å; F157-F233 HydrophobicContact CD1-CD1 3.96Å; F157-F233 HydrophobicContact CD1-CE1 4.07Å; F157-F233 HydrophobicContact CD2-CE1 4.42Å; F157-F233 AromaticContact CE1-CD1 3.74Å; F157-F233 HydrophobicContact CE1-CD1 3.74Å; F157-F233 AromaticContact CE1-CE1 3.65Å; F157-F233 HydrophobicContact CE1-CE1 3.65Å; F157-F233 HydrophobicContact CE2-CE1 4.04Å; F157-F233 HydrophobicContact CG-CE1 4.44Å; F157-F233 HydrophobicContact CZ-CD1 4.22Å; F157-F233 AromaticContact CZ-CE1 3.64Å; F157-F233 HydrophobicContact CZ-CE1 3.64Å; F157-F233 HydrophobicContact CZ-CZ 4.38Å; L162-F233 HydrophobicContact CD1-CB 4.13Å; L162-F233 HydrophobicContact CD1-CD1 3.98Å; L162-F233 HydrophobicContact CD1-CD2 4.03Å; L162-F233 HydrophobicContact CD1-CE1 4.41Å; L162-F233 HydrophobicContact CD1-CE2 4.46Å; L162-F233 HydrophobicContact CD1-CG 3.77Å; L162-F233 HydrophobicContact CD2-CZ 4.47Å; S224-F233 PolarHBondContact OG-N 3.19Å; S224-F233 VanDerWaalsContact OG-N 3.12Å; V228-F233 HydrophobicContact CG1-CD2 4.48Å; V228-F233 HydrophobicContact CG1-CE2 4.26Å; V228-F233 HydrophobicContact CG2-CD2 3.74Å; V228-F233 HydrophobicContact CG2-CE2 3.96Å; E231-F233 PolarHBondContact O-N 3.19Å; F233-H235 VanDerWaalsContact C-N 3.27Å; F233-H235 PolarHBondContact O-N 2.85Å; F233-A236 HydrophobicContact CD1-CB 4.44Å; F233-A236 PolarHBondContact O-N 3.25Å; F233-L237 VanDerWaalsContact O-CG 3.3Å; F233-L237 WeakPolarHBondContact O-CG 3.33Å; F233-L237 PolarHBondContact O-N 3.08Å; F233-L412 HydrophobicContact CZ-CD2 4.37Å
234	W	95.3	Very high	96.4	Very high	19 Å²	19	12.2 Å²	12.2	7%	0.072	6%	0.057	C	C	.	.	H	α-helix	trans	-54	-41.9	-178.1	81.5	-101.6	0	0	0	113.1	S130 H217 V220 H221 E231 R238 P274	S130-W234 PolarHBondContact OG-N 3.27Å; H217-W234 HydrophobicContact CB-CE3 4.12Å; H217-W234 AromaticContact CE1-CZ3 3.75Å; H217-W234 AromaticContact CG-CE3 3.99Å; H217-W234 AromaticContact CG-CZ3 3.92Å; H217-W234 AromaticContact ND1-CE3 3.79Å; H217-W234 AromaticContact ND1-CZ3 3.37Å; H217-W234 WeakPolarHBondContact ND1-CZ3 3.44Å; V220-W234 HydrophobicContact CB-CB 4.47Å; V220-W234 HydrophobicContact CG2-CB 4.02Å; V220-W234 HydrophobicContact CG2-CE3 4.39Å; H221-W234 AromaticContact CE1-CD1 3.78Å; H221-W234 AromaticContact CE1-CG 3.54Å; H221-W234 WeakPolarHBondContact ND1-CB 3.42Å; H221-W234 AromaticContact ND1-CG 3.65Å; E231-W234 WeakPolarHBondContact O-CB 3.39Å; E231-W234 PolarHBondContact O-N 3.43Å; W234-R238 PolarHBondContact O-N 3.19Å; W234-P274 HydrophobicContact CH2-CB 4.12Å; W234-P274 HydrophobicContact CZ3-CB 4Å
235	H	96.2	Very high	96.4	Very high	18 Å²	18	12.2 Å²	12.2	8%	0.083	6%	0.057	C	C	.	.	H	α-helix	trans	-74.9	-39.1	-178.1	-170.1	-59.4	0	0	0	111.5	S130 F233 R238 E239 P274	S130-H235 VanDerWaalsContact OG-CB 3.31Å; S130-H235 WeakPolarHBondContact OG-CB 3.39Å; S130-H235 PolarHBondContact OG-N 3.09Å; S130-H235 VanDerWaalsContact OG-N 3.08Å; F233-H235 VanDerWaalsContact C-N 3.27Å; F233-H235 PolarHBondContact O-N 2.85Å; H235-R238 PolarHBondContact O-N 2.9Å; H235-E239 IonicContact CE1-OE1 2.91Å; H235-E239 PolarHBondContact CE1-OE1 3.38Å; H235-E239 VanDerWaalsContact CE1-OE1 3.27Å; H235-E239 WeakPolarHBondContact ND1-CG 3.32Å; H235-E239 IonicContact ND1-OE1 3.31Å; H235-E239 VanDerWaalsContact O-CG 3.22Å; H235-E239 WeakPolarHBondContact O-CG 3.5Å; H235-E239 PolarHBondContact O-N 3.26Å; H235-P274 WeakPolarHBondContact NE2-CB 3.43Å
236	A	97.3	Very high	96.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.9	-42.9	175	0	0	0	0	0	111.1	A134 F157 F233 R238 E239 N240	A134-A236 HydrophobicContact CB-CB 4.34Å; F157-A236 HydrophobicContact CB-CB 4.39Å; F157-A236 HydrophobicContact CD1-CB 4.25Å; F233-A236 HydrophobicContact CD1-CB 4.44Å; F233-A236 PolarHBondContact O-N 3.25Å; A236-R238 PolarHBondContact O-N 2.82Å; A236-E239 PolarHBondContact O-N 2.94Å; A236-N240 WeakPolarHBondContact O-CB 3.3Å; A236-N240 PolarHBondContact O-N 3.21Å; A236-N240 PolarHBondContact O-ND2 3.35Å
237	L	97.9	Very high	96.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.9	-40.9	176.5	-70.9	164.8	0	0	0	112.2	C159 V220 V223 F233 L241 L294 L298	C159-L237 HydrophobicContact CB-CD2 4.14Å; V220-L237 HydrophobicContact CB-CB 4.02Å; V220-L237 HydrophobicContact CB-CD1 4.18Å; V220-L237 HydrophobicContact CG1-CB 3.78Å; V220-L237 WeakPolarHBondContact O-CD1 3.31Å; V223-L237 HydrophobicContact CB-CD1 4.23Å; V223-L237 HydrophobicContact CG1-CD1 3.85Å; V223-L237 HydrophobicContact CG1-CD2 4.14Å; F233-L237 VanDerWaalsContact O-CG 3.3Å; F233-L237 WeakPolarHBondContact O-CG 3.33Å; F233-L237 PolarHBondContact O-N 3.08Å; L237-L241 WeakPolarHBondContact O-CB 3.32Å; L237-L241 PolarHBondContact O-N 3.47Å; L237-L294 HydrophobicContact CB-CD2 4.13Å; L237-L294 HydrophobicContact CD2-CD2 4.15Å; L237-L298 HydrophobicContact CD2-CD2 3.99Å
238	R	96.3	Very high	96.4	Very high	7 Å²	7	25.3 Å²	25.3	3%	0.026	12%	0.117	C	C	.	.	H	α-helix	trans	-66.5	-47.2	175.7	-92.5	-178.4	173.9	-92.4	2.8	112.9	G216 H217 V220 W234 H235 A236 L241 K242 E271 C272 D273 P274	G216-R238 PolarHBondContact O-NH2 3.46Å; H217-R238 PolarHBondContact ND1-NE 3.08Å; V220-R238 HydrophobicContact CG1-CG 4.12Å; V220-R238 HydrophobicContact CG2-CG 4.02Å; W234-R238 PolarHBondContact O-N 3.19Å; H235-R238 PolarHBondContact O-N 2.9Å; A236-R238 PolarHBondContact O-N 2.82Å; R238-L241 PolarHBondContact O-N 2.89Å; R238-K242 PolarHBondContact O-N 2.93Å; R238-E271 PolarHBondContact NH1-O 3.45Å; R238-C272 VanDerWaalsContact CB-O 3.25Å; R238-C272 WeakPolarHBondContact CB-O 3.42Å; R238-C272 VanDerWaalsContact CG-O 3.25Å; R238-C272 WeakPolarHBondContact CG-O 3.35Å; R238-C272 VanDerWaalsContact NH1-C 3.28Å; R238-C272 PolarHBondContact NH1-O 3.43Å; R238-D273 PolarHBondContact NH1-O 3.19Å; R238-P274 HydrophobicContact CB-CG 4.08Å
239	E	97.4	Very high	96.5	Very high	37 Å²	37	27.2 Å²	27.2	17%	0.173	13%	0.127	C	C	.	.	H	α-helix	trans	-60.7	-46.6	176.5	-65.6	-100	-132.7	0	0	111.7	R135 L156 H235 A236 L241 K242 Q243 P274	R135-E239 IonicContact CZ-OE1 2.65Å; R135-E239 IonicContact NH1-OE1 2.76Å; R135-E239 PolarHBondContact NH1-OE1 2.77Å; R135-E239 IonicContact NH2-OE1 3.21Å; R135-E239 PolarHBondContact NH2-OE1 2.75Å; R135-E239 IonicContact NH2-OE2 2.81Å; L156-E239 HydrophobicContact CD1-CB 3.59Å; L156-E239 HydrophobicContact CD1-CG 4.04Å; L156-E239 HydrophobicContact CD2-CB 3.68Å; L156-E239 HydrophobicContact CG-CB 4.25Å; H235-E239 IonicContact CE1-OE1 2.91Å; H235-E239 PolarHBondContact CE1-OE1 3.38Å; H235-E239 VanDerWaalsContact CE1-OE1 3.27Å; H235-E239 WeakPolarHBondContact ND1-CG 3.32Å; H235-E239 IonicContact ND1-OE1 3.31Å; H235-E239 VanDerWaalsContact O-CG 3.22Å; H235-E239 WeakPolarHBondContact O-CG 3.5Å; H235-E239 PolarHBondContact O-N 3.26Å; A236-E239 PolarHBondContact O-N 2.94Å; E239-L241 VanDerWaalsContact C-N 3.33Å; E239-L241 PolarHBondContact O-N 3.35Å; E239-K242 PolarHBondContact O-N 2.81Å; E239-Q243 WeakPolarHBondContact O-CB 3.34Å; E239-Q243 PolarHBondContact O-N 2.95Å; E239-P274 HydrophobicContact CG-CG 3.86Å
240	N	98	Very high	96.5	Very high	17 Å²	17	30.9 Å²	30.9	9%	0.091	16%	0.157	C	C	.	.	H	α-helix	trans	-61.6	-41.8	177.2	-84.6	-110.4	0	0	0	111.2	L156 F157 C159 A236 Q243 H244 V297	L156-N240 WeakPolarHBondContact CD2-ND2 3.44Å; F157-N240 PolarHBondContact O-ND2 2.78Å; F157-N240 PolarHBondContact O-OD1 2.7Å; C159-N240 HydrophobicContact CB-CB 4.32Å; C159-N240 PolarHBondContact N-OD1 2.86Å; C159-N240 PolarHBondContact SG-ND2 2.88Å; A236-N240 WeakPolarHBondContact O-CB 3.3Å; A236-N240 PolarHBondContact O-N 3.21Å; A236-N240 PolarHBondContact O-ND2 3.35Å; N240-Q243 PolarHBondContact O-N 3.29Å; N240-H244 WeakPolarHBondContact O-CB 3.35Å; N240-H244 PolarHBondContact O-N 2.88Å; N240-V297 HydrophobicContact CB-CG1 3.68Å; N240-V297 HydrophobicContact CB-CG2 4.45Å
241	L	97.8	Very high	96.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64	-46	178.8	-177.8	65	0	0	0	111.8	L237 R238 E239 H244 F245 H290 G293 L294	L237-L241 WeakPolarHBondContact O-CB 3.32Å; L237-L241 PolarHBondContact O-N 3.47Å; R238-L241 PolarHBondContact O-N 2.89Å; E239-L241 VanDerWaalsContact C-N 3.33Å; E239-L241 PolarHBondContact O-N 3.35Å; L241-H244 PolarHBondContact O-N 3.1Å; L241-F245 HydrophobicContact CD1-CD2 4.03Å; L241-F245 HydrophobicContact CD1-CE2 3.5Å; L241-F245 HydrophobicContact CD1-CZ 3.98Å; L241-F245 HydrophobicContact CD2-CE2 4.22Å; L241-F245 HydrophobicContact CG-CD2 3.99Å; L241-F245 HydrophobicContact CG-CE2 3.65Å; L241-F245 VanDerWaalsContact O-CD2 3.3Å; L241-F245 WeakPolarHBondContact O-CD2 3.38Å; L241-F245 PolarHBondContact O-N 2.93Å; L241-H290 HydrophobicContact CD2-CB 3.9Å; L241-G293 VanDerWaalsContact CD1-C 3.5Å; L241-L294 HydrophobicContact CB-CD2 4.28Å; L241-L294 HydrophobicContact CD1-CD2 4.47Å; L241-L294 HydrophobicContact CD1-CG 4.19Å; L241-L294 HydrophobicContact CD2-CD2 4.32Å; L241-L294 HydrophobicContact CD2-CG 4.11Å
242	K	97.3	Very high	96.6	Very high	38 Å²	38	37.2 Å²	37.2	17%	0.165	18%	0.181	C	C	.	.	H	α-helix	trans	-58.4	-49.4	175.6	-167	176.6	-169.9	-173	0	111	R238 E239 H244 F245 Q246 I269 C272 D273	R238-K242 PolarHBondContact O-N 2.93Å; E239-K242 PolarHBondContact O-N 2.81Å; K242-H244 PolarHBondContact O-N 2.87Å; K242-F245 PolarHBondContact O-N 2.86Å; K242-Q246 VanDerWaalsContact O-CG 3.3Å; K242-Q246 WeakPolarHBondContact O-CG 3.12Å; K242-Q246 PolarHBondContact O-N 3.42Å; K242-I269 HydrophobicContact CG-CG2 4.12Å; K242-C272 HydrophobicContact CB-CB 3.74Å; K242-C272 HydrophobicContact CG-CB 4.15Å; K242-D273 IonicContact NZ-OD2 3.53Å; K242-D273 PolarHBondContact NZ-OD2 2.57Å
243	Q	97.1	Very high	96.6	Very high	79 Å²	79	40.4 Å²	40.4	37%	0.369	20%	0.196	S	C	.	.	H	α-helix	trans	-61.5	-43.1	177.3	-174.7	176.8	22.3	0	0	112.1	E239 N240 Q246 Q247	E239-Q243 WeakPolarHBondContact O-CB 3.34Å; E239-Q243 PolarHBondContact O-N 2.95Å; N240-Q243 PolarHBondContact O-N 3.29Å; Q243-Q246 PolarHBondContact O-N 3.38Å; Q243-Q247 HydrophobicContact CG-CG 4.41Å; Q243-Q247 WeakPolarHBondContact O-CB 3.3Å; Q243-Q247 VanDerWaalsContact O-CG 3.3Å; Q243-Q247 WeakPolarHBondContact O-CG 3.31Å; Q243-Q247 PolarHBondContact O-N 2.82Å
244	H	97.3	Very high	96.4	Very high	18 Å²	18	43.3 Å²	43.3	8%	0.083	22%	0.221	C	C	.	.	H	α-helix	trans	-66.1	-41.1	-178.7	-174.5	-87.1	0	0	0	112.3	N240 L241 K242 H248 Y252 V297	N240-H244 WeakPolarHBondContact O-CB 3.35Å; N240-H244 PolarHBondContact O-N 2.88Å; L241-H244 PolarHBondContact O-N 3.1Å; K242-H244 PolarHBondContact O-N 2.87Å; H244-H248 AromaticContact CD2-CE1 3.78Å; H244-H248 AromaticContact CD2-ND1 3.55Å; H244-H248 AromaticContact CE1-ND1 3.78Å; H244-H248 AromaticContact CG-ND1 3.87Å; H244-H248 AromaticContact NE2-CE1 3.75Å; H244-H248 AromaticContact NE2-ND1 3.49Å; H244-H248 PolarHBondContact NE2-ND1 2.87Å; H244-H248 WeakPolarHBondContact O-CB 3.42Å; H244-H248 PolarHBondContact O-N 3.47Å; H244-H248 VanDerWaalsContact O-N 3.11Å; H244-H248 PolarHBondContact O-ND1 3.07Å; H244-Y252 AromaticContact CE1-CE2 3.84Å; H244-Y252 AromaticContact CE1-CZ 3.88Å; H244-Y252 PolarHBondContact CE1-OH 3.25Å; H244-Y252 AromaticContact ND1-CE2 3.67Å; H244-Y252 AromaticContact ND1-CZ 3.8Å; H244-Y252 PolarHBondContact ND1-OH 3.44Å; H244-V297 HydrophobicContact CB-CG2 3.62Å
245	F	97.7	Very high	96.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-47.8	172.1	-76.3	-54.3	0	0	0	111.5	L241 K242 Q247 H248 L249 Y252 W265 I268 I269 C272 I289 H290	L241-F245 HydrophobicContact CD1-CD2 4.03Å; L241-F245 HydrophobicContact CD1-CE2 3.5Å; L241-F245 HydrophobicContact CD1-CZ 3.98Å; L241-F245 HydrophobicContact CD2-CE2 4.22Å; L241-F245 HydrophobicContact CG-CD2 3.99Å; L241-F245 HydrophobicContact CG-CE2 3.65Å; L241-F245 VanDerWaalsContact O-CD2 3.3Å; L241-F245 WeakPolarHBondContact O-CD2 3.38Å; L241-F245 PolarHBondContact O-N 2.93Å; K242-F245 PolarHBondContact O-N 2.86Å; F245-Q247 VanDerWaalsContact C-N 3.33Å; F245-Q247 PolarHBondContact O-N 3.12Å; F245-H248 CarbonylContact O-C 3.58Å; F245-H248 PolarHBondContact O-N 3.22Å; F245-L249 VanDerWaalsContact O-CA 3.28Å; F245-L249 WeakPolarHBondContact O-CA 3.39Å; F245-L249 WeakPolarHBondContact O-CB 3.36Å; F245-L249 PolarHBondContact O-N 3.22Å; F245-Y252 HydrophobicContact CD1-CD1 4.16Å; F245-Y252 AromaticContact CD1-CD2 3.78Å; F245-Y252 HydrophobicContact CD1-CD2 3.78Å; F245-Y252 AromaticContact CD1-CE1 3.99Å; F245-Y252 HydrophobicContact CD1-CE1 3.99Å; F245-Y252 AromaticContact CD1-CE2 3.6Å; F245-Y252 HydrophobicContact CD1-CE2 3.6Å; F245-Y252 HydrophobicContact CD1-CG 4.06Å; F245-Y252 AromaticContact CD1-CZ 3.71Å; F245-Y252 AromaticContact CE1-CD1 3.94Å; F245-Y252 HydrophobicContact CE1-CD1 3.94Å; F245-Y252 HydrophobicContact CE1-CD2 4.37Å; F245-Y252 AromaticContact CE1-CE1 3.61Å; F245-Y252 HydrophobicContact CE1-CE1 3.61Å; F245-Y252 HydrophobicContact CE1-CE2 4.06Å; F245-Y252 HydrophobicContact CE1-CG 4.31Å; F245-Y252 AromaticContact CE1-CZ 3.67Å; F245-W265 HydrophobicContact CD1-CZ3 4.36Å; F245-W265 HydrophobicContact CE1-CZ3 4.36Å; F245-I268 HydrophobicContact CD2-CG2 4.31Å; F245-I268 HydrophobicContact CE1-CG2 4.43Å; F245-I268 HydrophobicContact CE2-CG2 3.98Å; F245-I268 HydrophobicContact CZ-CG2 4.05Å; F245-I269 HydrophobicContact CB-CD1 4.37Å; F245-I269 HydrophobicContact CB-CG1 3.83Å; F245-C272 VanDerWaalsContact CD2-SG 3.57Å; F245-I289 HydrophobicContact CE1-CD1 4.38Å; F245-I289 HydrophobicContact CE1-CG1 4.01Å; F245-I289 HydrophobicContact CZ-CG1 4.04Å; F245-I289 WeakPolarHBondContact CZ-O 3.41Å; F245-H290 AromaticContact CE2-CD2 3.83Å
246	Q	96.9	Very high	96.2	Very high	110 Å²	110	44.9 Å²	44.9	51%	0.514	23%	0.231	S	C	.	.	H	α-helix	trans	-58.7	-42.4	179.1	-73.2	173.8	-19.2	0	0	112.5	K242 Q243 I269	K242-Q246 VanDerWaalsContact O-CG 3.3Å; K242-Q246 WeakPolarHBondContact O-CG 3.12Å; K242-Q246 PolarHBondContact O-N 3.42Å; Q243-Q246 PolarHBondContact O-N 3.38Å; Q246-I269 HydrophobicContact CG-CD1 4.2Å; Q246-I269 HydrophobicContact CG-CG2 3.8Å
247	Q	96.6	Very high	95.9	Very high	127 Å²	127	51 Å²	51	59%	0.593	26%	0.259	S	S	*	.	H	α-helix	trans	-71.9	-29.5	179.6	-73	174.8	-9.4	0	0	113.9	Q243 F245	Q243-Q247 HydrophobicContact CG-CG 4.41Å; Q243-Q247 WeakPolarHBondContact O-CB 3.3Å; Q243-Q247 VanDerWaalsContact O-CG 3.3Å; Q243-Q247 WeakPolarHBondContact O-CG 3.31Å; Q243-Q247 PolarHBondContact O-N 2.82Å; F245-Q247 VanDerWaalsContact C-N 3.33Å; F245-Q247 PolarHBondContact O-N 3.12Å
248	H	96.4	Very high	95.4	Very high	45 Å²	45	56.8 Å²	56.8	21%	0.208	29%	0.29	C	S	.	.	H	α-helix	trans	-115.4	12.5	-173.2	-59.4	99.3	0	0	0	114	H244 F245 A250 R251 Y252	H244-H248 AromaticContact CD2-CE1 3.78Å; H244-H248 AromaticContact CD2-ND1 3.55Å; H244-H248 AromaticContact CE1-ND1 3.78Å; H244-H248 AromaticContact CG-ND1 3.87Å; H244-H248 AromaticContact NE2-CE1 3.75Å; H244-H248 AromaticContact NE2-ND1 3.49Å; H244-H248 PolarHBondContact NE2-ND1 2.87Å; H244-H248 WeakPolarHBondContact O-CB 3.42Å; H244-H248 PolarHBondContact O-N 3.47Å; H244-H248 VanDerWaalsContact O-N 3.11Å; H244-H248 PolarHBondContact O-ND1 3.07Å; F245-H248 CarbonylContact O-C 3.58Å; F245-H248 PolarHBondContact O-N 3.22Å; H248-A250 VanDerWaalsContact C-N 3.29Å; H248-A250 PolarHBondContact O-N 3.25Å; H248-A250 VanDerWaalsContact O-N 3.12Å; H248-R251 WeakPolarHBondContact O-CA 3.21Å; H248-R251 WeakPolarHBondContact O-CB 3.48Å; H248-R251 PolarHBondContact O-N 3.14Å; H248-Y252 HydrophobicContact CB-CD2 3.97Å; H248-Y252 HydrophobicContact CB-CE2 3.9Å; H248-Y252 PolarHBondContact O-N 3.26Å
249	L	96	Very high	94.9	Very high	46 Å²	46	64.2 Å²	64.2	24%	0.241	32%	0.323	C	S	.	.	H	α-helix	trans	-49.6	-44.7	-169.9	179.1	56.6	0	0	0	113.4	F245 R251 Y252 Q253 W265 I269	F245-L249 VanDerWaalsContact O-CA 3.28Å; F245-L249 WeakPolarHBondContact O-CA 3.39Å; F245-L249 WeakPolarHBondContact O-CB 3.36Å; F245-L249 PolarHBondContact O-N 3.22Å; L249-R251 VanDerWaalsContact C-N 3.27Å; L249-R251 PolarHBondContact O-N 3.38Å; L249-Y252 WeakPolarHBondContact O-CB 3.49Å; L249-Y252 PolarHBondContact O-N 3.06Å; L249-Y252 VanDerWaalsContact O-N 3.11Å; L249-Q253 HydrophobicContact CD1-CG 3.88Å; L249-Q253 HydrophobicContact CG-CG 4.25Å; L249-Q253 WeakPolarHBondContact O-CB 3.15Å; L249-Q253 WeakPolarHBondContact O-CG 3.3Å; L249-Q253 PolarHBondContact O-N 3.43Å; L249-W265 HydrophobicContact CD1-CB 3.84Å; L249-W265 HydrophobicContact CD1-CD2 3.78Å; L249-W265 HydrophobicContact CD1-CE3 3.7Å; L249-W265 HydrophobicContact CD1-CG 3.84Å; L249-I269 HydrophobicContact CD1-CD1 4.32Å; L249-I269 HydrophobicContact CD2-CD1 4.31Å
250	A	95.4	Very high	94.5	Very high	76 Å²	76	63.3 Å²	63.3	63%	0.628	32%	0.319	S	S	*	.	H	α-helix	trans	-61	-31.7	178.6	0	0	0	0	0	113.8	H248 A254	H248-A250 VanDerWaalsContact C-N 3.29Å; H248-A250 PolarHBondContact O-N 3.25Å; H248-A250 VanDerWaalsContact O-N 3.12Å; A250-A254 WeakPolarHBondContact O-CB 3.29Å; A250-A254 PolarHBondContact O-N 3.26Å
251	R	95.1	Very high	94.1	Very high	138 Å²	138	68.3 Å²	68.3	52%	0.521	35%	0.346	S	S	.	.	H	α-helix	trans	-73.8	-39.9	174.4	-61	-175.5	-177.1	172.2	3.3	111.5	H248 L249 L255	H248-R251 WeakPolarHBondContact O-CA 3.21Å; H248-R251 WeakPolarHBondContact O-CB 3.48Å; H248-R251 PolarHBondContact O-N 3.14Å; L249-R251 VanDerWaalsContact C-N 3.27Å; L249-R251 PolarHBondContact O-N 3.38Å; R251-L255 VanDerWaalsContact O-CB 3.3Å; R251-L255 WeakPolarHBondContact O-CB 3.37Å; R251-L255 PolarHBondContact O-N 3.09Å
252	Y	95.8	Very high	93.7	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-64.6	-47.9	175.6	-81.5	-73.5	0	0	0	111.6	H244 F245 H248 L249 A254 L255 F256 W265 I289 F292 L325	H244-Y252 AromaticContact CE1-CE2 3.84Å; H244-Y252 AromaticContact CE1-CZ 3.88Å; H244-Y252 PolarHBondContact CE1-OH 3.25Å; H244-Y252 AromaticContact ND1-CE2 3.67Å; H244-Y252 AromaticContact ND1-CZ 3.8Å; H244-Y252 PolarHBondContact ND1-OH 3.44Å; F245-Y252 HydrophobicContact CD1-CD1 4.16Å; F245-Y252 AromaticContact CD1-CD2 3.78Å; F245-Y252 HydrophobicContact CD1-CD2 3.78Å; F245-Y252 AromaticContact CD1-CE1 3.99Å; F245-Y252 HydrophobicContact CD1-CE1 3.99Å; F245-Y252 AromaticContact CD1-CE2 3.6Å; F245-Y252 HydrophobicContact CD1-CE2 3.6Å; F245-Y252 HydrophobicContact CD1-CG 4.06Å; F245-Y252 AromaticContact CD1-CZ 3.71Å; F245-Y252 AromaticContact CE1-CD1 3.94Å; F245-Y252 HydrophobicContact CE1-CD1 3.94Å; F245-Y252 HydrophobicContact CE1-CD2 4.37Å; F245-Y252 AromaticContact CE1-CE1 3.61Å; F245-Y252 HydrophobicContact CE1-CE1 3.61Å; F245-Y252 HydrophobicContact CE1-CE2 4.06Å; F245-Y252 HydrophobicContact CE1-CG 4.31Å; F245-Y252 AromaticContact CE1-CZ 3.67Å; H248-Y252 HydrophobicContact CB-CD2 3.97Å; H248-Y252 HydrophobicContact CB-CE2 3.9Å; H248-Y252 PolarHBondContact O-N 3.26Å; L249-Y252 WeakPolarHBondContact O-CB 3.49Å; L249-Y252 PolarHBondContact O-N 3.06Å; L249-Y252 VanDerWaalsContact O-N 3.11Å; Y252-A254 PolarHBondContact O-N 2.97Å; Y252-L255 PolarHBondContact O-N 3.08Å; Y252-F256 HydrophobicContact CD1-CD2 4.34Å; Y252-F256 HydrophobicContact CD1-CE2 4.1Å; Y252-F256 WeakPolarHBondContact O-CD2 3.37Å; Y252-F256 PolarHBondContact O-N 2.84Å; Y252-W265 HydrophobicContact CD1-CH2 4.29Å; Y252-W265 HydrophobicContact CD1-CZ3 4.4Å; Y252-W265 HydrophobicContact CG-CH2 4.33Å; Y252-W265 HydrophobicContact CG-CZ3 4.22Å; Y252-I289 HydrophobicContact CD1-CD1 4.09Å; Y252-I289 HydrophobicContact CE1-CD1 4.29Å; Y252-F292 HydrophobicContact CD1-CD1 4.48Å; Y252-F292 HydrophobicContact CD1-CE1 4.4Å; Y252-F292 AromaticContact CE1-CD1 3.76Å; Y252-F292 HydrophobicContact CE1-CD1 3.76Å; Y252-F292 AromaticContact CE1-CE1 3.81Å; Y252-F292 HydrophobicContact CE1-CE1 3.81Å; Y252-L325 HydrophobicContact CD1-CD1 4.27Å; Y252-L325 HydrophobicContact CD2-CD1 4.2Å; Y252-L325 HydrophobicContact CE1-CD1 3.78Å; Y252-L325 HydrophobicContact CE2-CD1 3.69Å; Y252-L325 HydrophobicContact CG-CD1 4.47Å; Y252-L325 VanDerWaalsContact CZ-CD1 3.46Å
253	Q	94.4	Very high	93.3	Very high	68 Å²	68	74.4 Å²	74.4	32%	0.318	40%	0.403	S	S	.	.	H	α-helix	trans	-57.4	-48.7	173.9	-75.4	173.6	-24.2	0	0	111.2	L249 L255 F256 H257 W265	L249-Q253 HydrophobicContact CD1-CG 3.88Å; L249-Q253 HydrophobicContact CG-CG 4.25Å; L249-Q253 WeakPolarHBondContact O-CB 3.15Å; L249-Q253 WeakPolarHBondContact O-CG 3.3Å; L249-Q253 PolarHBondContact O-N 3.43Å; Q253-L255 PolarHBondContact O-N 3.12Å; Q253-F256 PolarHBondContact O-N 2.88Å; Q253-H257 WeakPolarHBondContact O-CA 3.41Å; Q253-H257 VanDerWaalsContact O-CB 3.3Å; Q253-H257 WeakPolarHBondContact O-CB 3.18Å; Q253-H257 PolarHBondContact O-N 2.85Å; Q253-W265 HydrophobicContact CG-CD2 4.14Å; Q253-W265 HydrophobicContact CG-CG 4.03Å
254	A	93.3	Very high	93	Very high	67 Å²	67	71.8 Å²	71.8	55%	0.554	39%	0.391	S	S	*	.	H	α-helix	trans	-60.1	-42.5	177.1	0	0	0	0	0	113.2	A250 Y252 F256 H257	A250-A254 WeakPolarHBondContact O-CB 3.29Å; A250-A254 PolarHBondContact O-N 3.26Å; Y252-A254 PolarHBondContact O-N 2.97Å; A254-F256 VanDerWaalsContact C-N 3.35Å; A254-F256 PolarHBondContact O-N 2.83Å; A254-H257 PolarHBondContact O-ND1 3.45Å
255	L	93	Very high	92.8	Very high	65 Å²	65	71.2 Å²	71.2	34%	0.34	39%	0.388	S	S	.	.	H	α-helix	trans	-69.7	-29.2	-178.7	-175.2	60	0	0	0	113.4	R251 Y252 Q253 F292 L325	R251-L255 VanDerWaalsContact O-CB 3.3Å; R251-L255 WeakPolarHBondContact O-CB 3.37Å; R251-L255 PolarHBondContact O-N 3.09Å; Y252-L255 PolarHBondContact O-N 3.08Å; Q253-L255 PolarHBondContact O-N 3.12Å; L255-F292 HydrophobicContact CD2-CE1 3.82Å; L255-F292 HydrophobicContact CD2-CZ 3.87Å; L255-L325 HydrophobicContact CD2-CD2 4.23Å
256	F	92.8	Very high	92.5	Very high	5 Å²	5	78 Å²	78	2%	0.022	42%	0.419	C	S	.	.	H	α-helix	trans	-120.3	14.2	-173	-64.9	-75.5	0	0	0	114.4	Y252 Q253 A254 D258 F259 I260 W265 I289 F292 W377	Y252-F256 HydrophobicContact CD1-CD2 4.34Å; Y252-F256 HydrophobicContact CD1-CE2 4.1Å; Y252-F256 WeakPolarHBondContact O-CD2 3.37Å; Y252-F256 PolarHBondContact O-N 2.84Å; Q253-F256 PolarHBondContact O-N 2.88Å; A254-F256 VanDerWaalsContact C-N 3.35Å; A254-F256 PolarHBondContact O-N 2.83Å; F256-D258 PolarHBondContact O-N 3.48Å; F256-F259 CarbonylContact O-C 3.58Å; F256-F259 WeakPolarHBondContact O-CA 3.46Å; F256-F259 PolarHBondContact O-N 2.93Å; F256-I260 HydrophobicContact CB-CB 4.32Å; F256-I260 HydrophobicContact CB-CD1 3.94Å; F256-I260 HydrophobicContact CB-CG1 4.11Å; F256-I260 HydrophobicContact CD1-CD1 4.42Å; F256-I260 HydrophobicContact CG-CD1 4.13Å; F256-I260 PolarHBondContact O-N 3.1Å; F256-W265 HydrophobicContact CB-CZ2 4.07Å; F256-W265 HydrophobicContact CD2-CH2 4.24Å; F256-I289 HydrophobicContact CD2-CD1 3.84Å; F256-I289 HydrophobicContact CE2-CD1 3.49Å; F256-I289 VanDerWaalsContact CE2-CD1 3.49Å; F256-I289 HydrophobicContact CZ-CD1 3.9Å; F256-F292 AromaticContact CE2-CD1 3.81Å; F256-F292 HydrophobicContact CE2-CD1 3.81Å; F256-F292 AromaticContact CE2-CE1 3.74Å; F256-F292 HydrophobicContact CE2-CE1 3.74Å; F256-F292 AromaticContact CZ-CD1 3.8Å; F256-F292 HydrophobicContact CZ-CD1 3.8Å; F256-F292 AromaticContact CZ-CE1 3.89Å; F256-F292 HydrophobicContact CZ-CE1 3.89Å; F256-F292 HydrophobicContact CZ-CG 4.5Å; F256-W377 HydrophobicContact CD1-CH2 4.27Å; F256-W377 HydrophobicContact CE1-CE3 4.21Å; F256-W377 AromaticContact CE1-CH2 3.51Å; F256-W377 HydrophobicContact CE1-CH2 3.51Å; F256-W377 HydrophobicContact CE1-CZ2 4.19Å; F256-W377 AromaticContact CE1-CZ3 3.53Å; F256-W377 HydrophobicContact CE1-CZ3 3.53Å; F256-W377 HydrophobicContact CE2-CZ3 4.42Å; F256-W377 HydrophobicContact CZ-CE3 4.17Å; F256-W377 AromaticContact CZ-CH2 3.8Å; F256-W377 HydrophobicContact CZ-CH2 3.8Å; F256-W377 AromaticContact CZ-CZ3 3.4Å; F256-W377 HydrophobicContact CZ-CZ3 3.4Å; F256-W377 VanDerWaalsContact CZ-CZ3 3.4Å
257	H	90.6	Very high	92.2	Very high	127 Å²	127	76.8 Å²	76.8	59%	0.588	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.7	-175.8	70.9	-68.8	0	0	0	114.3	Q253 A254 F259	Q253-H257 WeakPolarHBondContact O-CA 3.41Å; Q253-H257 VanDerWaalsContact O-CB 3.3Å; Q253-H257 WeakPolarHBondContact O-CB 3.18Å; Q253-H257 PolarHBondContact O-N 2.85Å; A254-H257 PolarHBondContact O-ND1 3.45Å; H257-F259 PolarHBondContact O-N 2.92Å
258	D	88.3	Confident	92	Very high	123 Å²	123	70.8 Å²	70.8	66%	0.658	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-6.4	174.2	-63.3	-58.7	0	0	0	114.1	F256	F256-D258 PolarHBondContact O-N 3.48Å
259	F	85.9	Confident	91.9	Very high	163 Å²	163	69.4 Å²	69.4	72%	0.715	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.4	-23	-166.7	-59.3	-79.5	0	0	0	115.3	F256 H257	F256-F259 CarbonylContact O-C 3.58Å; F256-F259 WeakPolarHBondContact O-CA 3.46Å; F256-F259 PolarHBondContact O-N 2.93Å; H257-F259 PolarHBondContact O-N 2.92Å
260	I	89.1	Confident	91.7	Very high	18 Å²	18	70.1 Å²	70.1	9%	0.092	39%	0.387	C	S	.	.	S	Bend	trans	-137.4	111.1	-175.9	-57.5	179	0	0	0	108.6	F256 E264 W265 I268 I289	F256-I260 HydrophobicContact CB-CB 4.32Å; F256-I260 HydrophobicContact CB-CD1 3.94Å; F256-I260 HydrophobicContact CB-CG1 4.11Å; F256-I260 HydrophobicContact CD1-CD1 4.42Å; F256-I260 HydrophobicContact CG-CD1 4.13Å; F256-I260 PolarHBondContact O-N 3.1Å; I260-E264 HydrophobicContact CG2-CB 3.78Å; I260-W265 HydrophobicContact CB-CZ2 3.93Å; I260-W265 HydrophobicContact CD1-CH2 3.96Å; I260-W265 HydrophobicContact CD1-CZ2 3.82Å; I260-W265 HydrophobicContact CG1-CZ2 4.44Å; I260-W265 HydrophobicContact CG2-CD2 4.43Å; I260-W265 HydrophobicContact CG2-CZ2 3.76Å; I260-I268 HydrophobicContact CD1-CD1 4.3Å; I260-I268 HydrophobicContact CG2-CD1 3.71Å; I260-I289 HydrophobicContact CD1-CB 4.42Å; I260-I289 HydrophobicContact CD1-CD1 4.29Å; I260-I289 HydrophobicContact CD1-CG1 4.19Å
261	D	89.9	Confident	91.5	Very high	122 Å²	122	66.7 Å²	66.7	65%	0.652	36%	0.358	S	S	*	.			trans	-55.7	146.9	178.8	-80.9	-51.8	0	0	0	112.4	A263 E264	D261-A263 PolarHBondContact O-N 3.44Å; D261-E264 HydrophobicContact CB-CG 4.44Å; D261-E264 PolarHBondContact O-N 2.61Å
262	A	88.8	Confident	91.5	Very high	82 Å²	82	60.1 Å²	60.1	68%	0.678	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.4	-177.7	0	0	0	0	0	113.6
263	A	89.3	Confident	91.3	Very high	83 Å²	83	62 Å²	62	69%	0.686	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-30.2	178	0	0	0	0	0	113.8	D261 W265 E266	D261-A263 PolarHBondContact O-N 3.44Å; A263-W265 PolarHBondContact O-N 3.05Å; A263-W265 VanDerWaalsContact O-N 3.14Å; A263-E266 PolarHBondContact O-N 3.33Å
264	E	90.6	Very high	91	Very high	24 Å²	24	59 Å²	59	11%	0.112	33%	0.33	C	S	.	.	H	α-helix	trans	-66.2	-17.1	-178.9	-75.6	-158.1	-139	0	0	113.6	I260 D261 E266 D267 I268 R287 R1082	I260-E264 HydrophobicContact CG2-CB 3.78Å; D261-E264 HydrophobicContact CB-CG 4.44Å; D261-E264 PolarHBondContact O-N 2.61Å; E264-E266 VanDerWaalsContact C-N 3.29Å; E264-E266 PolarHBondContact O-N 3.06Å; E264-D267 PolarHBondContact O-N 3.08Å; E264-I268 HydrophobicContact CB-CD1 4.34Å; E264-I268 VanDerWaalsContact O-CG1 3.28Å; E264-I268 WeakPolarHBondContact O-CG1 3.4Å; E264-I268 PolarHBondContact O-N 2.86Å; E264-R287 IonicContact OE2-CZ 2.71Å; E264-R287 IonicContact OE2-NH1 3.98Å; E264-R287 PolarHBondContact OE2-NH1 3.18Å; E264-R287 IonicContact OE2-NH2 3.17Å; E264-R1082 VanDerWaalsContact CD-NH2 3.35Å; E264-R1082 IonicContact OE1-CZ 3.94Å; E264-R1082 IonicContact OE1-NH1 3.66Å; E264-R1082 PolarHBondContact OE1-NH1 2.89Å; E264-R1082 IonicContact OE1-NH2 3.61Å; E264-R1082 PolarHBondContact OE1-NH2 3.33Å; E264-R1082 IonicContact OE2-CZ 3.86Å; E264-R1082 IonicContact OE2-NH1 3.41Å; E264-R1082 PolarHBondContact OE2-NH1 3.15Å; E264-R1082 IonicContact OE2-NH2 2.68Å
265	W	93.2	Very high	90.8	Very high	6 Å²	6	61.1 Å²	61.1	2%	0.023	33%	0.331	C	S	.	.	H	α-helix	trans	-68.6	-27.2	-176.4	-72.3	95.1	0	0	0	113.6	F245 L249 Y252 Q253 F256 I260 A263 I268 I269 I289	F245-W265 HydrophobicContact CD1-CZ3 4.36Å; F245-W265 HydrophobicContact CE1-CZ3 4.36Å; L249-W265 HydrophobicContact CD1-CB 3.84Å; L249-W265 HydrophobicContact CD1-CD2 3.78Å; L249-W265 HydrophobicContact CD1-CE3 3.7Å; L249-W265 HydrophobicContact CD1-CG 3.84Å; Y252-W265 HydrophobicContact CD1-CH2 4.29Å; Y252-W265 HydrophobicContact CD1-CZ3 4.4Å; Y252-W265 HydrophobicContact CG-CH2 4.33Å; Y252-W265 HydrophobicContact CG-CZ3 4.22Å; Q253-W265 HydrophobicContact CG-CD2 4.14Å; Q253-W265 HydrophobicContact CG-CG 4.03Å; F256-W265 HydrophobicContact CB-CZ2 4.07Å; F256-W265 HydrophobicContact CD2-CH2 4.24Å; I260-W265 HydrophobicContact CB-CZ2 3.93Å; I260-W265 HydrophobicContact CD1-CH2 3.96Å; I260-W265 HydrophobicContact CD1-CZ2 3.82Å; I260-W265 HydrophobicContact CG1-CZ2 4.44Å; I260-W265 HydrophobicContact CG2-CD2 4.43Å; I260-W265 HydrophobicContact CG2-CZ2 3.76Å; A263-W265 PolarHBondContact O-N 3.05Å; A263-W265 VanDerWaalsContact O-N 3.14Å; W265-I268 HydrophobicContact CD2-CD1 4.22Å; W265-I268 HydrophobicContact CE3-CB 4.44Å; W265-I268 HydrophobicContact CE3-CD1 3.98Å; W265-I268 HydrophobicContact CE3-CG2 4.29Å; W265-I268 HydrophobicContact CH2-CD1 4.37Å; W265-I268 HydrophobicContact CZ3-CD1 4.06Å; W265-I268 HydrophobicContact CZ3-CG2 4.23Å; W265-I269 WeakPolarHBondContact O-CB 3.37Å; W265-I269 WeakPolarHBondContact O-CD1 3.27Å; W265-I269 VanDerWaalsContact O-CG1 3.26Å; W265-I269 WeakPolarHBondContact O-CG1 3.47Å; W265-I269 PolarHBondContact O-N 3.43Å; W265-I269 VanDerWaalsContact O-N 3.08Å; W265-I289 HydrophobicContact CH2-CD1 3.98Å; W265-I289 HydrophobicContact CH2-CG1 4.03Å; W265-I289 HydrophobicContact CZ3-CD1 4.48Å; W265-I289 HydrophobicContact CZ3-CG1 4.18Å
266	E	91.4	Very high	90.4	Very high	142 Å²	142	60.6 Å²	60.6	66%	0.664	33%	0.326	S	S	*	.	H	α-helix	trans	-68.6	-46	171.8	-175.5	160.5	-169	0	0	110.5	A263 E264 I268 I269 N270	A263-E266 PolarHBondContact O-N 3.33Å; E264-E266 VanDerWaalsContact C-N 3.29Å; E264-E266 PolarHBondContact O-N 3.06Å; E266-I268 PolarHBondContact O-N 2.81Å; E266-I269 PolarHBondContact O-N 2.71Å; E266-N270 WeakPolarHBondContact CG-ND2 3Å; E266-N270 WeakPolarHBondContact O-CB 3.33Å; E266-N270 VanDerWaalsContact O-CG 3.22Å; E266-N270 PolarHBondContact O-N 3.45Å; E266-N270 PolarHBondContact O-ND2 3.2Å
267	D	90	Very high	89.7	Confident	86 Å²	86	65.3 Å²	65.3	46%	0.46	36%	0.355	S	S	.	.	H	α-helix	trans	-59.9	-44	173.8	-69.3	-32.2	0	0	0	112.2	E264 I269 N270 E271	E264-D267 PolarHBondContact O-N 3.08Å; D267-I269 VanDerWaalsContact C-N 3.34Å; D267-I269 PolarHBondContact O-N 2.65Å; D267-N270 PolarHBondContact O-N 3.01Å; D267-E271 WeakPolarHBondContact O-CB 3.44Å; D267-E271 WeakPolarHBondContact O-CG 3.35Å; D267-E271 PolarHBondContact O-N 3.19Å
268	I	92.4	Very high	88.9	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-60.8	-42	177.2	-69.3	164.6	0	0	0	111.1	F245 I260 E264 W265 E266 C272 R287 I289 H290	F245-I268 HydrophobicContact CD2-CG2 4.31Å; F245-I268 HydrophobicContact CE1-CG2 4.43Å; F245-I268 HydrophobicContact CE2-CG2 3.98Å; F245-I268 HydrophobicContact CZ-CG2 4.05Å; I260-I268 HydrophobicContact CD1-CD1 4.3Å; I260-I268 HydrophobicContact CG2-CD1 3.71Å; E264-I268 HydrophobicContact CB-CD1 4.34Å; E264-I268 VanDerWaalsContact O-CG1 3.28Å; E264-I268 WeakPolarHBondContact O-CG1 3.4Å; E264-I268 PolarHBondContact O-N 2.86Å; W265-I268 HydrophobicContact CD2-CD1 4.22Å; W265-I268 HydrophobicContact CE3-CB 4.44Å; W265-I268 HydrophobicContact CE3-CD1 3.98Å; W265-I268 HydrophobicContact CE3-CG2 4.29Å; W265-I268 HydrophobicContact CH2-CD1 4.37Å; W265-I268 HydrophobicContact CZ3-CD1 4.06Å; W265-I268 HydrophobicContact CZ3-CG2 4.23Å; E266-I268 PolarHBondContact O-N 2.81Å; I268-C272 PolarHBondContact O-SG 2.81Å; I268-R287 VanDerWaalsContact CG1-NH2 3.33Å; I268-I289 HydrophobicContact CD1-CG2 4.19Å; I268-I289 HydrophobicContact CG1-CG2 4.24Å; I268-I289 HydrophobicContact CG2-CG2 4.08Å; I268-H290 PolarHBondContact O-NE2 2.76Å
269	I	95.1	Very high	88.4	Confident	17 Å²	17	59.9 Å²	59.9	9%	0.087	34%	0.337	C	S	.	.	H	α-helix	trans	-71.8	-32.7	178.6	-71.1	168.8	0	0	0	111.3	K242 F245 Q246 L249 W265 E266 D267 C272	K242-I269 HydrophobicContact CG-CG2 4.12Å; F245-I269 HydrophobicContact CB-CD1 4.37Å; F245-I269 HydrophobicContact CB-CG1 3.83Å; Q246-I269 HydrophobicContact CG-CD1 4.2Å; Q246-I269 HydrophobicContact CG-CG2 3.8Å; L249-I269 HydrophobicContact CD1-CD1 4.32Å; L249-I269 HydrophobicContact CD2-CD1 4.31Å; W265-I269 WeakPolarHBondContact O-CB 3.37Å; W265-I269 WeakPolarHBondContact O-CD1 3.27Å; W265-I269 VanDerWaalsContact O-CG1 3.26Å; W265-I269 WeakPolarHBondContact O-CG1 3.47Å; W265-I269 PolarHBondContact O-N 3.43Å; W265-I269 VanDerWaalsContact O-N 3.08Å; E266-I269 PolarHBondContact O-N 2.71Å; D267-I269 VanDerWaalsContact C-N 3.34Å; D267-I269 PolarHBondContact O-N 2.65Å; I269-C272 WeakPolarHBondContact O-CB 3.2Å
270	N	92.1	Very high	87.5	Confident	61 Å²	61	61.6 Å²	61.6	33%	0.326	35%	0.348	S	S	.	.	H	α-helix	trans	-76.6	-39.1	177	-70.1	-28.2	0	0	0	112.3	E266 D267 C272 D273 F276	E266-N270 WeakPolarHBondContact CG-ND2 3Å; E266-N270 WeakPolarHBondContact O-CB 3.33Å; E266-N270 VanDerWaalsContact O-CG 3.22Å; E266-N270 PolarHBondContact O-N 3.45Å; E266-N270 PolarHBondContact O-ND2 3.2Å; D267-N270 PolarHBondContact O-N 3.01Å; N270-C272 PolarHBondContact O-N 3.47Å; N270-D273 WeakPolarHBondContact O-CB 3.42Å; N270-D273 PolarHBondContact O-N 2.82Å; N270-F276 HydrophobicContact CB-CD2 4.43Å; N270-F276 HydrophobicContact CB-CE2 4.34Å; N270-F276 WeakPolarHBondContact O-CD2 3.07Å
271	E	91.4	Very high	86.2	Confident	3 Å²	3	64.9 Å²	64.9	1%	0.014	39%	0.386	C	S	.	.	H	α-helix	trans	-52.3	-28	171.7	-87.4	178.1	-128	0	0	112.3	R238 D267 F276 L286 R287 H290	R238-E271 PolarHBondContact NH1-O 3.45Å; D267-E271 WeakPolarHBondContact O-CB 3.44Å; D267-E271 WeakPolarHBondContact O-CG 3.35Å; D267-E271 PolarHBondContact O-N 3.19Å; E271-F276 HydrophobicContact CG-CE1 4.25Å; E271-F276 HydrophobicContact CG-CZ 4.16Å; E271-L286 WeakPolarHBondContact O-CD2 3.48Å; E271-R287 IonicContact OE1-CZ 3.74Å; E271-R287 IonicContact OE1-NE 2.78Å; E271-R287 PolarHBondContact OE1-NE 3.04Å; E271-R287 IonicContact OE1-NH2 3.21Å; E271-R287 PolarHBondContact OE1-NH2 2.76Å; E271-R287 IonicContact OE2-NE 2.68Å; E271-R287 PolarHBondContact OE2-NE 3.06Å; E271-H290 IonicContact OE2-CE1 2.7Å; E271-H290 PolarHBondContact OE2-CE1 2.97Å; E271-H290 IonicContact OE2-ND1 2.68Å; E271-H290 IonicContact OE2-NE2 3.98Å
272	C	93.6	Very high	84.8	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-22.3	177.6	-64.1	0	0	0	0	114.5	R238 K242 F245 I268 I269 N270 H290	R238-C272 VanDerWaalsContact CB-O 3.25Å; R238-C272 WeakPolarHBondContact CB-O 3.42Å; R238-C272 VanDerWaalsContact CG-O 3.25Å; R238-C272 WeakPolarHBondContact CG-O 3.35Å; R238-C272 VanDerWaalsContact NH1-C 3.28Å; R238-C272 PolarHBondContact NH1-O 3.43Å; K242-C272 HydrophobicContact CB-CB 3.74Å; K242-C272 HydrophobicContact CG-CB 4.15Å; F245-C272 VanDerWaalsContact CD2-SG 3.57Å; I268-C272 PolarHBondContact O-SG 2.81Å; I269-C272 WeakPolarHBondContact O-CB 3.2Å; N270-C272 PolarHBondContact O-N 3.47Å; C272-H290 VanDerWaalsContact SG-CD2 3.5Å
273	D	91.8	Very high	83.2	Confident	40 Å²	40	61.7 Å²	61.7	21%	0.214	36%	0.364	C	S	.	.			trans	-60.8	137.1	-170	-161.5	-73.1	0	0	0	112.2	R238 K242 N270 L275 F276	R238-D273 PolarHBondContact NH1-O 3.19Å; K242-D273 IonicContact NZ-OD2 3.53Å; K242-D273 PolarHBondContact NZ-OD2 2.57Å; N270-D273 WeakPolarHBondContact O-CB 3.42Å; N270-D273 PolarHBondContact O-N 2.82Å; D273-L275 PolarHBondContact O-N 2.97Å; D273-L275 PolarHBondContact OD1-N 2.9Å; D273-F276 HydrophobicContact CB-CB 4.09Å; D273-F276 WeakPolarHBondContact O-CB 3.49Å; D273-F276 PolarHBondContact O-N 3.4Å
274	P	89.6	Confident	81.8	Confident	6 Å²	6	60 Å²	60	4%	0.039	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-26.1	173.4	-26	34.9	0	0	0	114.9	H217 W234 H235 R238 E239	H217-P274 PolarHBondContact CE1-O 3.37Å; H217-P274 VanDerWaalsContact CE1-O 3.27Å; W234-P274 HydrophobicContact CH2-CB 4.12Å; W234-P274 HydrophobicContact CZ3-CB 4Å; H235-P274 WeakPolarHBondContact NE2-CB 3.43Å; R238-P274 HydrophobicContact CB-CG 4.08Å; E239-P274 HydrophobicContact CG-CG 3.86Å
275	L	87.4	Confident	80.8	Confident	111 Å²	111	60.7 Å²	60.7	58%	0.581	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	15.5	-179.6	-56.5	177.9	0	0	0	112.9	D273 V277	D273-L275 PolarHBondContact O-N 2.97Å; D273-L275 PolarHBondContact OD1-N 2.9Å; L275-V277 PolarHBondContact O-N 3.43Å
276	F	85.5	Confident	80.4	Confident	54 Å²	54	60.8 Å²	60.8	24%	0.237	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-63.2	117.1	178.6	-177.7	-98.9	0	0	0	111.7	N270 E271 D273 P278 L284	N270-F276 HydrophobicContact CB-CD2 4.43Å; N270-F276 HydrophobicContact CB-CE2 4.34Å; N270-F276 WeakPolarHBondContact O-CD2 3.07Å; E271-F276 HydrophobicContact CG-CE1 4.25Å; E271-F276 HydrophobicContact CG-CZ 4.16Å; D273-F276 HydrophobicContact CB-CB 4.09Å; D273-F276 WeakPolarHBondContact O-CB 3.49Å; D273-F276 PolarHBondContact O-N 3.4Å; F276-P278 HydrophobicContact CE1-CB 4.05Å; F276-L284 HydrophobicContact CE1-CB 4.27Å; F276-L284 HydrophobicContact CZ-CD1 4.1Å
277	V	78.2	Confident	80.3	Confident	104 Å²	104	55.9 Å²	55.9	63%	0.63	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-103.6	122.6	169.3	-178.7	0	0	0	0	108.1	L275	L275-V277 PolarHBondContact O-N 3.43Å
278	P	73.4	Confident	80.4	Confident	59 Å²	59	53 Å²	53	38%	0.383	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-68.1	146.1	179.2	29	-35.3	0	0	0	111.4	F276 L284	F276-P278 HydrophobicContact CE1-CB 4.05Å; P278-L284 HydrophobicContact CB-CB 4.1Å
279	P	77.1	Confident	80.5	Confident	76 Å²	76	53.2 Å²	53.2	49%	0.494	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-58.8	148	174.5	-24	34.6	0	0	0	112.8	G281 V282	P279-G281 PolarHBondContact O-N 3.02Å; P279-V282 HydrophobicContact CB-CG2 4.18Å; P279-V282 PolarHBondContact O-N 3.31Å; P279-V282 VanDerWaalsContact O-N 3.11Å
280	E	67.7	Low	80.5	Confident	200 Å²	200	52.4 Å²	52.4	94%	0.935	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	131.9	-177.8	-68.6	-166.7	163.1	0	0	112.5	V282	E280-V282 PolarHBondContact O-N 2.82Å
281	G	62	Low	80.8	Confident	86 Å²	86	49.5 Å²	49.5	89%	0.887	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	-10	179.3	0	0	0	0	0	115.8	P279 P283	P279-G281 PolarHBondContact O-N 3.02Å; G281-P283 WeakPolarHBondContact O-CD 3.12Å
282	V	60.8	Low	81.1	Confident	46 Å²	46	49.3 Å²	49.3	28%	0.279	30%	0.298	S	S	.	.			trans	-98.3	116.5	179.8	-161.9	0	0	0	0	110.6	P279 E280 L284	P279-V282 HydrophobicContact CB-CG2 4.18Å; P279-V282 PolarHBondContact O-N 3.31Å; P279-V282 VanDerWaalsContact O-N 3.11Å; E280-V282 PolarHBondContact O-N 2.82Å; V282-L284 HydrophobicContact CB-CG 4.3Å; V282-L284 HydrophobicContact CG1-CD1 4.35Å; V282-L284 HydrophobicContact CG1-CD2 3.86Å; V282-L284 HydrophobicContact CG1-CG 3.7Å; V282-L284 PolarHBondContact O-N 3.01Å
283	P	54.8	Low	81.3	Confident	92 Å²	92	49.3 Å²	49.3	60%	0.597	30%	0.298	S	S	*	.			trans	-77.6	71.1	176.3	32.8	-35.2	0	0	0	111.2	G281	G281-P283 WeakPolarHBondContact O-CD 3.12Å
284	L	59.9	Low	81.6	Confident	47 Å²	47	47.4 Å²	47.4	25%	0.246	29%	0.288	C	S	.	.			trans	-86.3	139	170.6	-61	-177.4	0	0	0	111.1	F276 P278 V282	F276-L284 HydrophobicContact CE1-CB 4.27Å; F276-L284 HydrophobicContact CZ-CD1 4.1Å; P278-L284 HydrophobicContact CB-CB 4.1Å; V282-L284 HydrophobicContact CB-CG 4.3Å; V282-L284 HydrophobicContact CG1-CD1 4.35Å; V282-L284 HydrophobicContact CG1-CD2 3.86Å; V282-L284 HydrophobicContact CG1-CG 3.7Å; V282-L284 PolarHBondContact O-N 3.01Å
285	G	68.8	Low	82	Confident	39 Å²	39	47.1 Å²	47.1	40%	0.402	29%	0.286	S	S	.	.			trans	-174.1	154.6	178.5	0	0	0	0	0	109.4	R287	G285-R287 WeakPolarHBondContact O-CG 3.49Å; G285-R287 PolarHBondContact O-N 3.4Å
286	L	85.9	Confident	82.6	Confident	7 Å²	7	41.9 Å²	41.9	4%	0.037	26%	0.259	C	S	.	.			trans	-51.9	100.8	-166	-64.6	171.4	0	0	0	113.4	L219 V220 E271 H290 Y354	L219-L286 HydrophobicContact CB-CB 4.23Å; L219-L286 HydrophobicContact CB-CD1 4.08Å; L219-L286 HydrophobicContact CD2-CB 3.61Å; L219-L286 HydrophobicContact CD2-CD1 4.13Å; V220-L286 HydrophobicContact CG1-CD1 4.19Å; E271-L286 WeakPolarHBondContact O-CD2 3.48Å; L286-H290 HydrophobicContact CB-CB 3.98Å; L286-H290 HydrophobicContact CD2-CB 4.13Å; L286-H290 VanDerWaalsContact CD2-CD2 3.42Å; L286-H290 WeakPolarHBondContact CD2-CD2 3.24Å; L286-Y354 PolarHBondContact O-OH 3.42Å
287	R	88	Confident	83.2	Confident	40 Å²	40	39.7 Å²	39.7	15%	0.151	25%	0.25	C	C	.	.			trans	-67.7	168.4	179.4	-56.4	-178.8	-89.9	160.1	-20.1	113.9	E264 I268 E271 G285 I289 H290	E264-R287 IonicContact OE2-CZ 2.71Å; E264-R287 IonicContact OE2-NH1 3.98Å; E264-R287 PolarHBondContact OE2-NH1 3.18Å; E264-R287 IonicContact OE2-NH2 3.17Å; I268-R287 VanDerWaalsContact CG1-NH2 3.33Å; E271-R287 IonicContact OE1-CZ 3.74Å; E271-R287 IonicContact OE1-NE 2.78Å; E271-R287 PolarHBondContact OE1-NE 3.04Å; E271-R287 IonicContact OE1-NH2 3.21Å; E271-R287 PolarHBondContact OE1-NH2 2.76Å; E271-R287 IonicContact OE2-NE 2.68Å; E271-R287 PolarHBondContact OE2-NE 3.06Å; G285-R287 WeakPolarHBondContact O-CG 3.49Å; G285-R287 PolarHBondContact O-N 3.4Å; R287-I289 HydrophobicContact CB-CG2 4.31Å; R287-I289 PolarHBondContact O-N 3.27Å; R287-H290 PolarHBondContact N-ND1 2.91Å; R287-H290 WeakPolarHBondContact O-CA 3.46Å; R287-H290 WeakPolarHBondContact O-CB 3.25Å; R287-H290 PolarHBondContact O-N 3.35Å; R287-H290 PolarHBondContact O-ND1 3.38Å
288	N	92.1	Very high	84.1	Confident	25 Å²	25	34.8 Å²	34.8	13%	0.134	22%	0.22	C	C	.	.	H	α-helix	trans	-43.1	-40.1	175.8	-79.9	18.9	0	0	0	116	H290 I291 F292 D316 F321 W377	N288-H290 PolarHBondContact O-N 3.46Å; N288-I291 WeakPolarHBondContact O-CA 3.39Å; N288-I291 WeakPolarHBondContact O-CB 3.2Å; N288-I291 PolarHBondContact O-N 3.37Å; N288-F292 PolarHBondContact O-N 3.21Å; N288-D316 PolarHBondContact ND2-O 2.83Å; N288-F321 HydrophobicContact CB-CE1 3.96Å; N288-F321 HydrophobicContact CB-CZ 3.97Å; N288-F321 WeakPolarHBondContact O-CE1 3.48Å; N288-W377 HydrophobicContact CB-CD2 4.42Å; N288-W377 HydrophobicContact CB-CH2 4.35Å; N288-W377 HydrophobicContact CB-CZ2 3.94Å
289	I	94.6	Very high	85.3	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-57.2	-33	177.8	-173.7	58.3	0	0	0	112.1	F245 Y252 F256 I260 W265 I268 R287 F292 G293 W377	F245-I289 HydrophobicContact CE1-CD1 4.38Å; F245-I289 HydrophobicContact CE1-CG1 4.01Å; F245-I289 HydrophobicContact CZ-CG1 4.04Å; F245-I289 WeakPolarHBondContact CZ-O 3.41Å; Y252-I289 HydrophobicContact CD1-CD1 4.09Å; Y252-I289 HydrophobicContact CE1-CD1 4.29Å; F256-I289 HydrophobicContact CD2-CD1 3.84Å; F256-I289 HydrophobicContact CE2-CD1 3.49Å; F256-I289 VanDerWaalsContact CE2-CD1 3.49Å; F256-I289 HydrophobicContact CZ-CD1 3.9Å; I260-I289 HydrophobicContact CD1-CB 4.42Å; I260-I289 HydrophobicContact CD1-CD1 4.29Å; I260-I289 HydrophobicContact CD1-CG1 4.19Å; W265-I289 HydrophobicContact CH2-CD1 3.98Å; W265-I289 HydrophobicContact CH2-CG1 4.03Å; W265-I289 HydrophobicContact CZ3-CD1 4.48Å; W265-I289 HydrophobicContact CZ3-CG1 4.18Å; I268-I289 HydrophobicContact CD1-CG2 4.19Å; I268-I289 HydrophobicContact CG1-CG2 4.24Å; I268-I289 HydrophobicContact CG2-CG2 4.08Å; R287-I289 HydrophobicContact CB-CG2 4.31Å; R287-I289 PolarHBondContact O-N 3.27Å; I289-F292 HydrophobicContact CD1-CD1 4.25Å; I289-F292 PolarHBondContact O-N 3.17Å; I289-G293 PolarHBondContact O-N 3.22Å; I289-W377 HydrophobicContact CB-CH2 3.99Å; I289-W377 HydrophobicContact CD1-CH2 3.97Å; I289-W377 HydrophobicContact CD1-CZ3 4.04Å
290	H	96.2	Very high	86.2	Confident	0 Å²	0	31 Å²	31	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-70.3	-33.8	174.2	-54.8	90.7	0	0	0	112.2	L219 L241 F245 I268 E271 C272 L286 R287 N288 G293 L294	L219-H290 HydrophobicContact CD2-CB 4.12Å; L241-H290 HydrophobicContact CD2-CB 3.9Å; F245-H290 AromaticContact CE2-CD2 3.83Å; I268-H290 PolarHBondContact O-NE2 2.76Å; E271-H290 IonicContact OE2-CE1 2.7Å; E271-H290 PolarHBondContact OE2-CE1 2.97Å; E271-H290 IonicContact OE2-ND1 2.68Å; E271-H290 IonicContact OE2-NE2 3.98Å; C272-H290 VanDerWaalsContact SG-CD2 3.5Å; L286-H290 HydrophobicContact CB-CB 3.98Å; L286-H290 HydrophobicContact CD2-CB 4.13Å; L286-H290 VanDerWaalsContact CD2-CD2 3.42Å; L286-H290 WeakPolarHBondContact CD2-CD2 3.24Å; R287-H290 PolarHBondContact N-ND1 2.91Å; R287-H290 WeakPolarHBondContact O-CA 3.46Å; R287-H290 WeakPolarHBondContact O-CB 3.25Å; R287-H290 PolarHBondContact O-N 3.35Å; R287-H290 PolarHBondContact O-ND1 3.38Å; N288-H290 PolarHBondContact O-N 3.46Å; H290-G293 PolarHBondContact O-N 3.1Å; H290-L294 WeakPolarHBondContact O-CB 3.12Å; H290-L294 VanDerWaalsContact O-CG 3.23Å; H290-L294 WeakPolarHBondContact O-CG 3.25Å; H290-L294 PolarHBondContact O-N 2.91Å
291	I	97.8	Very high	87.7	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-70	-41	174.5	-42.1	178.2	0	0	0	110.1	L219 N288 L294 A295 I302 L304 F321 I344 Y354	L219-I291 HydrophobicContact CD1-CD1 4.29Å; L219-I291 HydrophobicContact CD1-CG1 3.93Å; L219-I291 HydrophobicContact CD2-CG1 3.81Å; N288-I291 WeakPolarHBondContact O-CA 3.39Å; N288-I291 WeakPolarHBondContact O-CB 3.2Å; N288-I291 PolarHBondContact O-N 3.37Å; I291-L294 PolarHBondContact O-N 3.44Å; I291-A295 WeakPolarHBondContact O-CB 3.33Å; I291-A295 PolarHBondContact O-N 3.37Å; I291-I302 HydrophobicContact CG2-CB 4.09Å; I291-I302 HydrophobicContact CG2-CD1 4.14Å; I291-I302 HydrophobicContact CG2-CG2 3.78Å; I291-L304 HydrophobicContact CD1-CD2 3.71Å; I291-F321 HydrophobicContact CB-CD1 4.1Å; I291-F321 HydrophobicContact CB-CD2 3.86Å; I291-F321 HydrophobicContact CB-CE1 4.08Å; I291-F321 HydrophobicContact CB-CE2 3.84Å; I291-F321 HydrophobicContact CB-CG 3.97Å; I291-F321 HydrophobicContact CB-CZ 3.95Å; I291-F321 HydrophobicContact CD1-CD2 4.49Å; I291-F321 HydrophobicContact CD1-CE2 3.72Å; I291-F321 HydrophobicContact CD1-CZ 3.84Å; I291-F321 HydrophobicContact CG1-CE2 4.37Å; I291-F321 HydrophobicContact CG1-CZ 4.37Å; I291-F321 HydrophobicContact CG2-CB 4.25Å; I291-F321 HydrophobicContact CG2-CD1 4.37Å; I291-F321 HydrophobicContact CG2-CD2 3.36Å; I291-F321 HydrophobicContact CG2-CE2 3.69Å; I291-F321 HydrophobicContact CG2-CG 3.73Å; I291-F321 HydrophobicContact CG2-CZ 4.32Å; I291-I344 HydrophobicContact CD1-CD1 4.41Å; I291-I344 HydrophobicContact CG2-CD1 4.25Å; I291-Y354 HydrophobicContact CD1-CE1 3.82Å
292	F	97.7	Very high	89.4	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61	-43.8	170.3	-176.1	-116.3	0	0	0	111.4	Y252 L255 F256 N288 I289 A295 N296 F321 L322 L325 W377 V379	Y252-F292 HydrophobicContact CD1-CD1 4.48Å; Y252-F292 HydrophobicContact CD1-CE1 4.4Å; Y252-F292 AromaticContact CE1-CD1 3.76Å; Y252-F292 HydrophobicContact CE1-CD1 3.76Å; Y252-F292 AromaticContact CE1-CE1 3.81Å; Y252-F292 HydrophobicContact CE1-CE1 3.81Å; L255-F292 HydrophobicContact CD2-CE1 3.82Å; L255-F292 HydrophobicContact CD2-CZ 3.87Å; F256-F292 AromaticContact CE2-CD1 3.81Å; F256-F292 HydrophobicContact CE2-CD1 3.81Å; F256-F292 AromaticContact CE2-CE1 3.74Å; F256-F292 HydrophobicContact CE2-CE1 3.74Å; F256-F292 AromaticContact CZ-CD1 3.8Å; F256-F292 HydrophobicContact CZ-CD1 3.8Å; F256-F292 AromaticContact CZ-CE1 3.89Å; F256-F292 HydrophobicContact CZ-CE1 3.89Å; F256-F292 HydrophobicContact CZ-CG 4.5Å; N288-F292 PolarHBondContact O-N 3.21Å; I289-F292 HydrophobicContact CD1-CD1 4.25Å; I289-F292 PolarHBondContact O-N 3.17Å; F292-A295 PolarHBondContact O-N 3Å; F292-N296 PolarHBondContact O-N 3.43Å; F292-N296 PolarHBondContact O-ND2 3Å; F292-F321 HydrophobicContact CB-CD1 3.88Å; F292-L322 WeakPolarHBondContact CD2-O 3.44Å; F292-L322 WeakPolarHBondContact CE2-O 3.41Å; F292-L325 HydrophobicContact CE1-CD1 4.4Å; F292-L325 HydrophobicContact CE1-CG 4.42Å; F292-L325 HydrophobicContact CZ-CG 4.37Å; F292-W377 HydrophobicContact CB-CE3 3.87Å; F292-W377 HydrophobicContact CB-CZ3 3.67Å; F292-W377 HydrophobicContact CD1-CZ3 4.33Å; F292-W377 HydrophobicContact CG-CE3 4.21Å; F292-W377 HydrophobicContact CG-CZ3 4.06Å; F292-V379 HydrophobicContact CE2-CG1 3.71Å; F292-V379 HydrophobicContact CZ-CG1 3.82Å
293	G	98	Very high	91.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-58.7	-47.1	172.7	0	0	0	0	0	113.1	L241 I289 H290 A295 N296 V297	L241-G293 VanDerWaalsContact CD1-C 3.5Å; I289-G293 PolarHBondContact O-N 3.22Å; H290-G293 PolarHBondContact O-N 3.1Å; G293-A295 VanDerWaalsContact C-N 3.34Å; G293-A295 PolarHBondContact O-N 2.93Å; G293-N296 PolarHBondContact O-N 3.36Å; G293-V297 WeakPolarHBondContact O-CG2 3.43Å; G293-V297 PolarHBondContact O-N 3.41Å
294	L	98.6	Very high	93.2	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.2	-35.8	177.6	-73.2	167.9	0	0	0	112.6	L219 V220 V223 L237 L241 H290 I291 N296 V297 L298 I302	L219-L294 HydrophobicContact CD2-CD1 3.8Å; L219-L294 HydrophobicContact CG-CD1 3.92Å; V220-L294 HydrophobicContact CG1-CD1 3.98Å; V220-L294 HydrophobicContact CG1-CD2 4.28Å; V223-L294 HydrophobicContact CG2-CD1 4.39Å; L237-L294 HydrophobicContact CB-CD2 4.13Å; L237-L294 HydrophobicContact CD2-CD2 4.15Å; L241-L294 HydrophobicContact CB-CD2 4.28Å; L241-L294 HydrophobicContact CD1-CD2 4.47Å; L241-L294 HydrophobicContact CD1-CG 4.19Å; L241-L294 HydrophobicContact CD2-CD2 4.32Å; L241-L294 HydrophobicContact CD2-CG 4.11Å; H290-L294 WeakPolarHBondContact O-CB 3.12Å; H290-L294 VanDerWaalsContact O-CG 3.23Å; H290-L294 WeakPolarHBondContact O-CG 3.25Å; H290-L294 PolarHBondContact O-N 2.91Å; I291-L294 PolarHBondContact O-N 3.44Å; L294-N296 VanDerWaalsContact C-N 3.34Å; L294-V297 PolarHBondContact O-N 3Å; L294-L298 WeakPolarHBondContact O-CB 3.3Å; L294-L298 VanDerWaalsContact O-CG 3.27Å; L294-L298 WeakPolarHBondContact O-CG 3.38Å; L294-L298 PolarHBondContact O-N 2.97Å; L294-I302 HydrophobicContact CB-CD1 3.9Å
295	A	98.4	Very high	94.9	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-60.9	-44.7	173.5	0	0	0	0	0	111.3	I291 F292 G293 L298 H299 R300 I302 F321 P323	I291-A295 WeakPolarHBondContact O-CB 3.33Å; I291-A295 PolarHBondContact O-N 3.37Å; F292-A295 PolarHBondContact O-N 3Å; G293-A295 VanDerWaalsContact C-N 3.34Å; G293-A295 PolarHBondContact O-N 2.93Å; A295-L298 PolarHBondContact O-N 2.91Å; A295-H299 PolarHBondContact O-N 2.85Å; A295-R300 CarbonylContact C-O 3.5Å; A295-R300 WeakPolarHBondContact CA-O 3.06Å; A295-R300 WeakPolarHBondContact CB-O 3.38Å; A295-R300 PolarHBondContact O-N 3.45Å; A295-I302 HydrophobicContact CB-CD1 4.18Å; A295-I302 HydrophobicContact CB-CG1 4.04Å; A295-F321 HydrophobicContact CB-CB 4.12Å; A295-P323 WeakPolarHBondContact O-CB 3.38Å
296	N	98.3	Very high	96.2	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-65.4	-45.2	175.1	-72	-82.1	0	0	0	111.9	F292 G293 L294 L298 H299 P323 G324 L325 I326	F292-N296 PolarHBondContact O-N 3.43Å; F292-N296 PolarHBondContact O-ND2 3Å; G293-N296 PolarHBondContact O-N 3.36Å; L294-N296 VanDerWaalsContact C-N 3.34Å; N296-L298 VanDerWaalsContact C-N 3.3Å; N296-L298 PolarHBondContact O-N 3.36Å; N296-H299 PolarHBondContact O-CD2 2.79Å; N296-H299 PolarHBondContact O-N 2.8Å; N296-P323 WeakPolarHBondContact OD1-CA 3.35Å; N296-P323 PolarHBondContact OD1-O 2.77Å; N296-G324 PolarHBondContact OD1-N 3.01Å; N296-L325 WeakPolarHBondContact OD1-CA 3.17Å; N296-L325 VanDerWaalsContact OD1-CB 3.28Å; N296-L325 WeakPolarHBondContact OD1-CB 3.34Å; N296-L325 PolarHBondContact OD1-N 3.06Å; N296-I326 HydrophobicContact CB-CG1 4.22Å
297	V	98.2	Very high	96.6	Very high	9 Å²	9	6.9 Å²	6.9	6%	0.055	3%	0.033	C	C	.	.	H	α-helix	trans	-58.4	-38	175.4	163.6	0	0	0	0	112.7	C159 A160 N240 H244 G293 L294 H299	C159-V297 HydrophobicContact CB-CG1 3.61Å; A160-V297 PolarHBondContact N-O 3.01Å; N240-V297 HydrophobicContact CB-CG1 3.68Å; N240-V297 HydrophobicContact CB-CG2 4.45Å; H244-V297 HydrophobicContact CB-CG2 3.62Å; G293-V297 WeakPolarHBondContact O-CG2 3.43Å; G293-V297 PolarHBondContact O-N 3.41Å; L294-V297 PolarHBondContact O-N 3Å; V297-H299 VanDerWaalsContact C-N 3.35Å
298	L	97.9	Very high	96.8	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-3	-179.3	-68.8	173.2	0	0	0	114.1	C159 L162 G163 V223 L227 L237 L294 A295 N296 R300 I302 I342	C159-L298 HydrophobicContact CB-CD2 4.24Å; C159-L298 WeakPolarHBondContact O-CD2 3.2Å; L162-L298 HydrophobicContact CB-CD2 4.47Å; G163-L298 VanDerWaalsContact CA-O 3.28Å; G163-L298 WeakPolarHBondContact CA-O 3.44Å; V223-L298 HydrophobicContact CG1-CD1 3.65Å; L227-L298 HydrophobicContact CD1-CD1 4Å; L227-L298 HydrophobicContact CD1-CD2 3.68Å; L237-L298 HydrophobicContact CD2-CD2 3.99Å; L294-L298 WeakPolarHBondContact O-CB 3.3Å; L294-L298 VanDerWaalsContact O-CG 3.27Å; L294-L298 WeakPolarHBondContact O-CG 3.38Å; L294-L298 PolarHBondContact O-N 2.97Å; A295-L298 PolarHBondContact O-N 2.91Å; N296-L298 VanDerWaalsContact C-N 3.3Å; N296-L298 PolarHBondContact O-N 3.36Å; L298-R300 HydrophobicContact CB-CB 3.94Å; L298-R300 WeakPolarHBondContact O-CB 3.25Å; L298-R300 PolarHBondContact O-N 2.97Å; L298-I302 HydrophobicContact CD1-CD1 4.25Å; L298-I342 HydrophobicContact CD1-CD1 4.31Å
299	H	97.4	Very high	96.6	Very high	50 Å²	50	9.7 Å²	9.7	23%	0.231	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	39.6	-168.3	-69.9	-156.1	0	0	0	112	A295 N296 V297 K330 C331 N339	A295-H299 PolarHBondContact O-N 2.85Å; N296-H299 PolarHBondContact O-CD2 2.79Å; N296-H299 PolarHBondContact O-N 2.8Å; V297-H299 VanDerWaalsContact C-N 3.35Å; H299-K330 PolarHBondContact ND1-O 2.91Å; H299-C331 WeakPolarHBondContact O-CA 3.21Å; H299-C331 WeakPolarHBondContact O-CB 3.35Å; H299-N339 PolarHBondContact O-ND2 2.69Å
300	R	97.3	Very high	96.2	Very high	5 Å²	5	9.7 Å²	9.7	2%	0.019	6%	0.06	C	C	.	.	S	Bend	trans	-153.2	135.7	-165.8	-173.9	175.6	-161.7	167.5	-9.4	113.7	G163 R165 A295 L298 N339 K340 G399	G163-R300 WeakPolarHBondContact O-CD 3.49Å; G163-R300 PolarHBondContact O-NH1 2.88Å; R165-R300 PolarHBondContact O-NH1 2.69Å; A295-R300 CarbonylContact C-O 3.5Å; A295-R300 WeakPolarHBondContact CA-O 3.06Å; A295-R300 WeakPolarHBondContact CB-O 3.38Å; A295-R300 PolarHBondContact O-N 3.45Å; L298-R300 HydrophobicContact CB-CB 3.94Å; L298-R300 WeakPolarHBondContact O-CB 3.25Å; L298-R300 PolarHBondContact O-N 2.97Å; R300-N339 HydrophobicContact CB-CB 4.17Å; R300-N339 HydrophobicContact CG-CB 3.83Å; R300-K340 PolarHBondContact NE-O 3.39Å; R300-K340 PolarHBondContact NH2-O 3.37Å; R300-G399 PolarHBondContact NH2-O 3.12Å
301	P	98	Very high	95.8	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.006	7%	0.07	C	C	.	.			trans	-61.9	140.9	170.4	-25.3	36.4	0	0	0	114.4	F321 L322 N339 P341 I342 I388	P301-F321 CarbonylContact C-O 3.59Å; P301-F321 VanDerWaalsContact CA-O 3.23Å; P301-F321 WeakPolarHBondContact CA-O 3.43Å; P301-L322 HydrophobicContact CB-CD2 4.04Å; P301-L322 HydrophobicContact CG-CD2 4.16Å; P301-N339 WeakPolarHBondContact CD-O 3.2Å; P301-P341 HydrophobicContact CB-CB 4.12Å; P301-P341 WeakPolarHBondContact O-CA 3.33Å; P301-I342 PolarHBondContact O-N 3.22Å; P301-I342 VanDerWaalsContact O-N 3.16Å; P301-I388 HydrophobicContact CB-CD1 3.94Å; P301-I388 HydrophobicContact CB-CG1 3.84Å; P301-I388 HydrophobicContact CG-CD1 4.36Å; P301-I388 HydrophobicContact CG-CG1 3.71Å
302	I	98.5	Very high	95.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.8	173.4	-52.5	-179.6	0	0	0	108.2	V223 I291 L294 A295 L298 F321 I342 I344	V223-I302 HydrophobicContact CG2-CD1 4.41Å; I291-I302 HydrophobicContact CG2-CB 4.09Å; I291-I302 HydrophobicContact CG2-CD1 4.14Å; I291-I302 HydrophobicContact CG2-CG2 3.78Å; L294-I302 HydrophobicContact CB-CD1 3.9Å; A295-I302 HydrophobicContact CB-CD1 4.18Å; A295-I302 HydrophobicContact CB-CG1 4.04Å; L298-I302 HydrophobicContact CD1-CD1 4.25Å; I302-F321 HydrophobicContact CB-CB 4.37Å; I302-F321 PolarHBondContact N-O 3.49Å; I302-F321 WeakPolarHBondContact O-CB 3.19Å; I302-F321 PolarHBondContact O-N 2.85Å; I302-I342 HydrophobicContact CB-CG1 4.32Å; I302-I342 HydrophobicContact CD1-CD1 4.32Å; I302-I342 HydrophobicContact CG1-CD1 4.05Å; I302-I342 HydrophobicContact CG1-CG1 3.9Å; I302-I342 HydrophobicContact CG2-CD1 4.45Å; I302-I342 HydrophobicContact CG2-CG1 4.22Å; I302-I344 HydrophobicContact CG2-CD1 3.94Å; I302-I344 HydrophobicContact CG2-CG1 3.97Å
303	I	98.3	Very high	94.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.1	174.4	-62.6	172.4	0	0	0	108.7	L305 T320 P341 I342 C343 I344 L368 L373 P374 I398	I303-L305 HydrophobicContact CG2-CD2 3.63Å; I303-L305 HydrophobicContact CG2-CG 4.05Å; I303-T320 HydrophobicContact CG1-CG2 4.27Å; I303-P341 HydrophobicContact CD1-CB 3.72Å; I303-P341 HydrophobicContact CD1-CG 3.85Å; I303-P341 HydrophobicContact CG1-CB 3.99Å; I303-I342 PolarHBondContact N-O 2.99Å; I303-C343 WeakPolarHBondContact O-CA 3.48Å; I303-I344 WeakPolarHBondContact O-CG1 3.44Å; I303-I344 PolarHBondContact O-N 2.67Å; I303-L368 HydrophobicContact CD1-CD2 3.86Å; I303-L368 HydrophobicContact CG2-CD2 4.13Å; I303-L373 HydrophobicContact CD1-CD1 3.69Å; I303-L373 HydrophobicContact CG1-CD1 4.42Å; I303-P374 HydrophobicContact CG2-CG 4.12Å; I303-I398 HydrophobicContact CD1-CD1 3.91Å
304	L	97.7	Very high	92.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	109.6	171.4	176.5	62.5	0	0	0	109.7	I291 Y317 S318 A319 F321 I344 W346 Y354	I291-L304 HydrophobicContact CD1-CD2 3.71Å; L304-Y317 WeakPolarHBondContact CD2-O 3.38Å; L304-S318 CarbonylContact O-C 3.58Å; L304-S318 WeakPolarHBondContact O-CA 3.48Å; L304-S318 WeakPolarHBondContact O-CB 3.35Å; L304-A319 PolarHBondContact N-O 2.69Å; L304-A319 PolarHBondContact O-N 2.69Å; L304-A319 VanDerWaalsContact O-N 3.07Å; L304-F321 HydrophobicContact CB-CD2 4.46Å; L304-F321 HydrophobicContact CB-CE2 3.81Å; L304-F321 HydrophobicContact CD2-CE2 4.23Å; L304-I344 WeakPolarHBondContact CA-O 3.35Å; L304-I344 HydrophobicContact CB-CG1 4.26Å; L304-I344 HydrophobicContact CD1-CD1 4.12Å; L304-I344 HydrophobicContact CD1-CG1 3.91Å; L304-W346 HydrophobicContact CD2-CZ2 4.24Å; L304-Y354 HydrophobicContact CD1-CD1 3.88Å; L304-Y354 HydrophobicContact CD1-CE1 3.81Å; L304-Y354 HydrophobicContact CD2-CE1 3.99Å
305	L	96.2	Very high	91.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	163.3	174.4	-59.9	-173.5	0	0	0	112.4	T193 I197 I303 M311 I344 A345 W346 L357 L368 L372 P374	T193-L305 HydrophobicContact CG2-CD1 4.3Å; I197-L305 HydrophobicContact CD1-CD1 3.99Å; I303-L305 HydrophobicContact CG2-CD2 3.63Å; I303-L305 HydrophobicContact CG2-CG 4.05Å; L305-M311 HydrophobicContact CB-SD 4.32Å; L305-M311 HydrophobicContact CD2-SD 3.9Å; L305-I344 PolarHBondContact N-O 3.01Å; L305-A345 HydrophobicContact CB-CB 4.33Å; L305-A345 VanDerWaalsContact O-CA 3.26Å; L305-A345 WeakPolarHBondContact O-CA 3.25Å; L305-W346 PolarHBondContact O-N 2.96Å; L305-L357 HydrophobicContact CD1-CD1 3.95Å; L305-L368 HydrophobicContact CD1-CD1 3.83Å; L305-L368 HydrophobicContact CD2-CD1 4.44Å; L305-L368 HydrophobicContact CD2-CD2 4.35Å; L305-L372 WeakPolarHBondContact CD2-O 3.5Å; L305-P374 HydrophobicContact CD2-CG 3.75Å
306	D	94.9	Very high	89.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.205	C	C	.	.			trans	-139.8	176.9	175.5	-165.8	-17	0	0	0	107.8	Y189 T193 G310 M311 R351	Y189-D306 WeakPolarHBondContact CE1-OD1 3.32Å; Y189-D306 VanDerWaalsContact CZ-OD1 3.31Å; Y189-D306 PolarHBondContact OH-OD1 3Å; T193-D306 PolarHBondContact OG1-O 3.44Å; D306-G310 WeakPolarHBondContact OD2-CA 3.47Å; D306-M311 HydrophobicContact CB-CG 3.65Å; D306-M311 WeakPolarHBondContact O-CE 3.49Å; D306-R351 IonicContact OD2-CZ 2.72Å; D306-R351 IonicContact OD2-NE 3.29Å; D306-R351 PolarHBondContact OD2-NE 2.59Å; D306-R351 IonicContact OD2-NH2 3.55Å; D306-R351 PolarHBondContact OD2-NH2 2.91Å
307	S	94.1	Very high	88.6	Confident	11 Å²	11	41.2 Å²	41.2	8%	0.077	23%	0.225	C	C	.	.			trans	-51.6	153	162.8	61.7	0	0	0	0	111.4	Y189 T193 S309 G310 M311	Y189-S307 VanDerWaalsContact CZ-OG 3.23Å; Y189-S307 VanDerWaalsContact O-CB 3.28Å; Y189-S307 WeakPolarHBondContact O-CB 3.49Å; Y189-S307 PolarHBondContact OH-OG 2.94Å; T193-S307 WeakPolarHBondContact OG1-CA 3.22Å; S307-S309 PolarHBondContact O-N 3.33Å; S307-S309 VanDerWaalsContact O-N 3.11Å; S307-G310 WeakPolarHBondContact O-CA 3.11Å; S307-G310 PolarHBondContact O-N 3.25Å; S307-G310 PolarHBondContact OG-N 2.72Å; S307-M311 PolarHBondContact O-N 2.93Å
308	L	91.6	Very high	88.3	Confident	26 Å²	26	41.8 Å²	41.8	14%	0.136	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.9	177	-64.6	-171.7	0	0	0	113.1	D192 T193 M311 R312 L372	D192-L308 HydrophobicContact CB-CD1 3.56Å; D192-L308 HydrophobicContact CB-CG 3.88Å; T193-L308 PolarHBondContact OG1-N 2.86Å; L308-M311 HydrophobicContact CD2-CE 3.78Å; L308-R312 VanDerWaalsContact O-CD 3.23Å; L308-R312 WeakPolarHBondContact O-CD 3.47Å; L308-R312 WeakPolarHBondContact O-CG 3.3Å; L308-R312 PolarHBondContact O-N 2.8Å; L308-L372 HydrophobicContact CD2-CD2 3.55Å
309	S	88.3	Confident	88.2	Confident	98 Å²	98	42 Å²	42	69%	0.685	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-37.9	173.3	-175	0	0	0	0	112.1	S307 R312 S313	S307-S309 PolarHBondContact O-N 3.33Å; S307-S309 VanDerWaalsContact O-N 3.11Å; S309-R312 PolarHBondContact O-N 3.16Å; S309-S313 PolarHBondContact O-N 2.82Å
310	G	86.7	Confident	88.2	Confident	4 Å²	4	39.6 Å²	39.6	4%	0.041	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-44.8	176.9	0	0	0	0	0	113.2	D306 S307 R312 S313 R351	D306-G310 WeakPolarHBondContact OD2-CA 3.47Å; S307-G310 WeakPolarHBondContact O-CA 3.11Å; S307-G310 PolarHBondContact O-N 3.25Å; S307-G310 PolarHBondContact OG-N 2.72Å; G310-R312 PolarHBondContact O-N 3Å; G310-S313 WeakPolarHBondContact O-CB 3.5Å; G310-S313 PolarHBondContact O-N 3.11Å; G310-S313 PolarHBondContact O-OG 3.23Å; G310-R351 PolarHBondContact O-NH2 2.7Å
311	M	88.4	Confident	88.2	Confident	45 Å²	45	39.3 Å²	39.3	22%	0.222	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.5	175.4	-60.1	-168.9	-68.1	0	0	113.7	T193 L305 D306 S307 L308 L372	T193-M311 HydrophobicContact CG2-CE 3.78Å; L305-M311 HydrophobicContact CB-SD 4.32Å; L305-M311 HydrophobicContact CD2-SD 3.9Å; D306-M311 HydrophobicContact CB-CG 3.65Å; D306-M311 WeakPolarHBondContact O-CE 3.49Å; S307-M311 PolarHBondContact O-N 2.93Å; L308-M311 HydrophobicContact CD2-CE 3.78Å; M311-L372 HydrophobicContact CE-CD2 3.99Å
312	R	85.3	Confident	88.2	Confident	200 Å²	200	39.3 Å²	39.3	76%	0.755	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-5.3	171.8	-68.3	172.2	-168.6	176.6	5.8	113.2	L308 S309 G310	L308-R312 VanDerWaalsContact O-CD 3.23Å; L308-R312 WeakPolarHBondContact O-CD 3.47Å; L308-R312 WeakPolarHBondContact O-CG 3.3Å; L308-R312 PolarHBondContact O-N 2.8Å; S309-R312 PolarHBondContact O-N 3.16Å; G310-R312 PolarHBondContact O-N 3Å
313	S	79.6	Confident	88.1	Confident	46 Å²	46	39.3 Å²	39.3	32%	0.322	22%	0.218	S	C	.	.	S	Bend	trans	-75.2	147.9	177	74.1	0	0	0	0	111.1	S309 G310 G315 R351	S309-S313 PolarHBondContact O-N 2.82Å; G310-S313 WeakPolarHBondContact O-CB 3.5Å; G310-S313 PolarHBondContact O-N 3.11Å; G310-S313 PolarHBondContact O-OG 3.23Å; S313-G315 PolarHBondContact O-N 2.6Å; S313-R351 PolarHBondContact OG-NH2 2.83Å
314	S	62.4	Low	88	Confident	125 Å²	125	40.5 Å²	40.5	87%	0.874	23%	0.23	S	C	*	.	S	Bend	trans	-81.2	25.2	-172.5	64.2	0	0	0	0	114.8
315	G	66.2	Low	87.9	Confident	25 Å²	25	42.1 Å²	42.1	26%	0.258	24%	0.239	S	C	.	.	S	Bend	trans	-125.2	147.9	174.9	0	0	0	0	0	110.1	S313 Y317	S313-G315 PolarHBondContact O-N 2.6Å; G315-Y317 WeakPolarHBondContact O-CD2 3.11Å; G315-Y317 PolarHBondContact O-N 2.79Å
316	D	66.7	Low	87.9	Confident	118 Å²	118	43.2 Å²	43.2	63%	0.631	24%	0.244	S	C	*	.	S	Bend	trans	-73.5	36.3	-169.1	-62.1	-32.8	0	0	0	114.6	N288 S318	N288-D316 PolarHBondContact ND2-O 2.83Å; D316-S318 VanDerWaalsContact C-N 3.26Å; D316-S318 PolarHBondContact O-N 2.92Å
317	Y	77.6	Confident	87.8	Confident	103 Å²	103	46.2 Å²	46.2	40%	0.404	26%	0.264	S	S	.	.	S	Bend	trans	-71	-17.5	-177.5	-59.3	-78.9	0	0	0	113.6	L304 G315 W346 R351	L304-Y317 WeakPolarHBondContact CD2-O 3.38Å; G315-Y317 WeakPolarHBondContact O-CD2 3.11Å; G315-Y317 PolarHBondContact O-N 2.79Å; Y317-W346 PolarHBondContact O-NE1 2.77Å; Y317-R351 VanDerWaalsContact CD1-CD 3.5Å; Y317-R351 VanDerWaalsContact CD2-CZ 3.47Å; Y317-R351 VanDerWaalsContact CE2-NH1 3.34Å; Y317-R351 VanDerWaalsContact CG-CZ 3.5Å
318	S	91.6	Very high	87.8	Confident	21 Å²	21	45.9 Å²	45.9	15%	0.147	26%	0.262	C	S	.	.	S	Bend	trans	-131.9	129	177.8	58.5	0	0	0	0	110.1	L304 D316	L304-S318 CarbonylContact O-C 3.58Å; L304-S318 WeakPolarHBondContact O-CA 3.48Å; L304-S318 WeakPolarHBondContact O-CB 3.35Å; D316-S318 VanDerWaalsContact C-N 3.26Å; D316-S318 PolarHBondContact O-N 2.92Å
319	A	94.9	Very high	87.9	Confident	3 Å²	3	50.3 Å²	50.3	3%	0.025	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	155.9	-165.2	0	0	0	0	0	113	L304 F321 W377	L304-A319 PolarHBondContact N-O 2.69Å; L304-A319 PolarHBondContact O-N 2.69Å; L304-A319 VanDerWaalsContact O-N 3.07Å; A319-F321 HydrophobicContact CB-CD2 4.29Å; A319-F321 HydrophobicContact CB-CE1 4.18Å; A319-F321 HydrophobicContact CB-CE2 3.63Å; A319-F321 HydrophobicContact CB-CZ 3.58Å; A319-W377 HydrophobicContact CB-CB 3.66Å; A319-W377 HydrophobicContact CB-CG 4.29Å
320	T	97.3	Very high	88.1	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	115.7	166	-63.9	0	0	0	0	108.7	I303 L322 P374 K375 A376 W377 I388	I303-T320 HydrophobicContact CG1-CG2 4.27Å; T320-L322 HydrophobicContact CG2-CD2 3.66Å; T320-L322 HydrophobicContact CG2-CG 4.32Å; T320-P374 WeakPolarHBondContact CB-O 3.5Å; T320-P374 PolarHBondContact OG1-O 2.8Å; T320-K375 PolarHBondContact N-O 3.19Å; T320-A376 CarbonylContact O-C 3.5Å; T320-A376 VanDerWaalsContact O-CA 3.26Å; T320-A376 WeakPolarHBondContact O-CA 3.35Å; T320-W377 PolarHBondContact O-N 3.26Å; T320-I388 HydrophobicContact CG2-CD1 3.77Å
321	F	98.1	Very high	88.6	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	115.9	178.9	-60.6	-83.2	0	0	0	109.2	N288 I291 F292 A295 P301 I302 L304 A319 W377	N288-F321 HydrophobicContact CB-CE1 3.96Å; N288-F321 HydrophobicContact CB-CZ 3.97Å; N288-F321 WeakPolarHBondContact O-CE1 3.48Å; I291-F321 HydrophobicContact CB-CD1 4.1Å; I291-F321 HydrophobicContact CB-CD2 3.86Å; I291-F321 HydrophobicContact CB-CE1 4.08Å; I291-F321 HydrophobicContact CB-CE2 3.84Å; I291-F321 HydrophobicContact CB-CG 3.97Å; I291-F321 HydrophobicContact CB-CZ 3.95Å; I291-F321 HydrophobicContact CD1-CD2 4.49Å; I291-F321 HydrophobicContact CD1-CE2 3.72Å; I291-F321 HydrophobicContact CD1-CZ 3.84Å; I291-F321 HydrophobicContact CG1-CE2 4.37Å; I291-F321 HydrophobicContact CG1-CZ 4.37Å; I291-F321 HydrophobicContact CG2-CB 4.25Å; I291-F321 HydrophobicContact CG2-CD1 4.37Å; I291-F321 HydrophobicContact CG2-CD2 3.36Å; I291-F321 HydrophobicContact CG2-CE2 3.69Å; I291-F321 HydrophobicContact CG2-CG 3.73Å; I291-F321 HydrophobicContact CG2-CZ 4.32Å; F292-F321 HydrophobicContact CB-CD1 3.88Å; A295-F321 HydrophobicContact CB-CB 4.12Å; P301-F321 CarbonylContact C-O 3.59Å; P301-F321 VanDerWaalsContact CA-O 3.23Å; P301-F321 WeakPolarHBondContact CA-O 3.43Å; I302-F321 HydrophobicContact CB-CB 4.37Å; I302-F321 PolarHBondContact N-O 3.49Å; I302-F321 WeakPolarHBondContact O-CB 3.19Å; I302-F321 PolarHBondContact O-N 2.85Å; L304-F321 HydrophobicContact CB-CD2 4.46Å; L304-F321 HydrophobicContact CB-CE2 3.81Å; L304-F321 HydrophobicContact CD2-CE2 4.23Å; A319-F321 HydrophobicContact CB-CD2 4.29Å; A319-F321 HydrophobicContact CB-CE1 4.18Å; A319-F321 HydrophobicContact CB-CE2 3.63Å; A319-F321 HydrophobicContact CB-CZ 3.58Å; F321-W377 HydrophobicContact CD1-CB 4.05Å; F321-W377 HydrophobicContact CD1-CD2 4.3Å; F321-W377 AromaticContact CD1-CE3 3.91Å; F321-W377 HydrophobicContact CD1-CE3 3.91Å; F321-W377 HydrophobicContact CD1-CG 4.39Å; F321-W377 HydrophobicContact CE1-CB 3.81Å; F321-W377 AromaticContact CE1-CD2 3.69Å; F321-W377 HydrophobicContact CE1-CD2 3.69Å; F321-W377 AromaticContact CE1-CE3 3.64Å; F321-W377 HydrophobicContact CE1-CE3 3.64Å; F321-W377 AromaticContact CE1-CG 3.78Å; F321-W377 HydrophobicContact CE1-CG 3.78Å; F321-W377 HydrophobicContact CE1-CZ3 4.47Å; F321-W377 HydrophobicContact CZ-CB 4.46Å; F321-W377 HydrophobicContact CZ-CG 4.48Å
322	L	98.1	Very high	88.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.			trans	-100.3	151.1	-179.5	-55.3	-179.4	0	0	0	110.3	F292 P301 T320 G324 A376 V379 L383 I384 Y387 I388	F292-L322 WeakPolarHBondContact CD2-O 3.44Å; F292-L322 WeakPolarHBondContact CE2-O 3.41Å; P301-L322 HydrophobicContact CB-CD2 4.04Å; P301-L322 HydrophobicContact CG-CD2 4.16Å; T320-L322 HydrophobicContact CG2-CD2 3.66Å; T320-L322 HydrophobicContact CG2-CG 4.32Å; L322-G324 PolarHBondContact O-N 3.34Å; L322-A376 HydrophobicContact CD1-CB 4.23Å; L322-V379 HydrophobicContact CB-CG2 4.26Å; L322-V379 HydrophobicContact CD1-CG2 4.03Å; L322-V379 HydrophobicContact CG-CG2 4.37Å; L322-L383 HydrophobicContact CD1-CB 3.8Å; L322-I384 HydrophobicContact CD1-CG1 4.11Å; L322-Y387 HydrophobicContact CB-CD2 4.25Å; L322-Y387 HydrophobicContact CD1-CD2 4.18Å; L322-I388 HydrophobicContact CD2-CD1 3.94Å; L322-I388 HydrophobicContact CD2-CG1 4.16Å
323	P	97.3	Very high	88.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.249	C	C	.	.			trans	-75	53.1	174.1	33.6	-36.8	0	0	0	111.8	A295 N296 L325 I326 C331 Y387	A295-P323 WeakPolarHBondContact O-CB 3.38Å; N296-P323 WeakPolarHBondContact OD1-CA 3.35Å; N296-P323 PolarHBondContact OD1-O 2.77Å; P323-L325 PolarHBondContact O-N 3.13Å; P323-L325 VanDerWaalsContact O-N 3.09Å; P323-I326 HydrophobicContact CB-CB 4.37Å; P323-I326 PolarHBondContact O-N 3.36Å; P323-C331 HydrophobicContact CG-CB 4.27Å; P323-C331 WeakPolarHBondContact CG-SG 3.33Å; P323-Y387 HydrophobicContact CG-CD1 3.59Å; P323-Y387 HydrophobicContact CG-CE1 3.96Å; P323-Y387 HydrophobicContact CG-CG 4.23Å
324	G	95.2	Very high	88.9	Confident	25 Å²	25	48.5 Å²	48.5	26%	0.258	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.9	-166.5	0	0	0	0	0	116.6	N296 L322	N296-G324 PolarHBondContact OD1-N 3.01Å; L322-G324 PolarHBondContact O-N 3.34Å
325	L	94.9	Very high	89.9	Confident	34 Å²	34	46 Å²	46	18%	0.178	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-7.3	173.3	-53.2	178.4	0	0	0	112.5	Y252 L255 F292 N296 P323	Y252-L325 HydrophobicContact CD1-CD1 4.27Å; Y252-L325 HydrophobicContact CD2-CD1 4.2Å; Y252-L325 HydrophobicContact CE1-CD1 3.78Å; Y252-L325 HydrophobicContact CE2-CD1 3.69Å; Y252-L325 HydrophobicContact CG-CD1 4.47Å; Y252-L325 VanDerWaalsContact CZ-CD1 3.46Å; L255-L325 HydrophobicContact CD2-CD2 4.23Å; F292-L325 HydrophobicContact CE1-CD1 4.4Å; F292-L325 HydrophobicContact CE1-CG 4.42Å; F292-L325 HydrophobicContact CZ-CG 4.37Å; N296-L325 WeakPolarHBondContact OD1-CA 3.17Å; N296-L325 VanDerWaalsContact OD1-CB 3.28Å; N296-L325 WeakPolarHBondContact OD1-CB 3.34Å; N296-L325 PolarHBondContact OD1-N 3.06Å; P323-L325 PolarHBondContact O-N 3.13Å; P323-L325 VanDerWaalsContact O-N 3.09Å
326	I	95.8	Very high	90.9	Very high	23 Å²	23	47.3 Å²	47.3	12%	0.118	26%	0.257	C	S	.	.	S	Bend	trans	-109.4	132.3	179.4	-52.1	-58.8	0	0	0	108.9	N296 P323 A328 K330 Y387	N296-I326 HydrophobicContact CB-CG1 4.22Å; P323-I326 HydrophobicContact CB-CB 4.37Å; P323-I326 PolarHBondContact O-N 3.36Å; I326-A328 PolarHBondContact O-N 3.42Å; I326-K330 HydrophobicContact CG2-CB 3.97Å; I326-Y387 WeakPolarHBondContact O-CE1 3.45Å; I326-Y387 PolarHBondContact O-OH 3.21Å; I326-Y387 VanDerWaalsContact O-OH 3.08Å
327	P	94.4	Very high	92.1	Very high	63 Å²	63	47.9 Å²	47.9	41%	0.409	26%	0.256	S	S	.	.			trans	-57.3	134.5	173.9	-23.1	32.9	0	0	0	111.7	E329 K330 C331	P327-E329 VanDerWaalsContact C-OE2 3.24Å; P327-E329 WeakPolarHBondContact CA-OE2 3.34Å; P327-E329 WeakPolarHBondContact CB-OE2 3.42Å; P327-E329 PolarHBondContact O-N 3.48Å; P327-E329 VanDerWaalsContact O-N 3.1Å; P327-K330 WeakPolarHBondContact O-CA 3.2Å; P327-K330 WeakPolarHBondContact O-CB 3.19Å; P327-K330 PolarHBondContact O-N 3.4Å; P327-C331 PolarHBondContact O-SG 3.3Å
328	A	93.6	Very high	92.8	Very high	5 Å²	5	45.5 Å²	45.5	4%	0.041	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-60.3	-25.3	-174.9	0	0	0	0	0	113.5	I326 K330 C331 K386 Y387	I326-A328 PolarHBondContact O-N 3.42Å; A328-K330 PolarHBondContact O-N 3.11Å; A328-C331 WeakPolarHBondContact O-CA 3.47Å; A328-C331 WeakPolarHBondContact O-CB 3.19Å; A328-C331 PolarHBondContact O-N 2.64Å; A328-K386 HydrophobicContact CB-CD 4.18Å; A328-K386 VanDerWaalsContact CB-CE 3.49Å; A328-K386 HydrophobicContact CB-CG 3.87Å; A328-Y387 VanDerWaalsContact CA-CE1 3.42Å; A328-Y387 HydrophobicContact CB-CD1 3.67Å; A328-Y387 HydrophobicContact CB-CE1 3.43Å; A328-Y387 VanDerWaalsContact CB-CE1 3.43Å; A328-Y387 HydrophobicContact CB-CG 4.48Å
329	E	92.6	Very high	93	Very high	119 Å²	119	45 Å²	45	56%	0.556	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-65	-30.1	177.6	-50.3	71.8	-151.4	0	0	110.3	P327 T332 K386	P327-E329 VanDerWaalsContact C-OE2 3.24Å; P327-E329 WeakPolarHBondContact CA-OE2 3.34Å; P327-E329 WeakPolarHBondContact CB-OE2 3.42Å; P327-E329 PolarHBondContact O-N 3.48Å; P327-E329 VanDerWaalsContact O-N 3.1Å; E329-T332 PolarHBondContact O-OG1 2.97Å; E329-K386 IonicContact OE1-NZ 2.69Å; E329-K386 PolarHBondContact OE1-NZ 3.24Å
330	K	94.4	Very high	93	Very high	135 Å²	135	48.5 Å²	48.5	59%	0.587	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-86.2	-4.9	170.9	-58	-172.3	179.9	-175	0	113.9	H299 I326 P327 A328 T332	H299-K330 PolarHBondContact ND1-O 2.91Å; I326-K330 HydrophobicContact CG2-CB 3.97Å; P327-K330 WeakPolarHBondContact O-CA 3.2Å; P327-K330 WeakPolarHBondContact O-CB 3.19Å; P327-K330 PolarHBondContact O-N 3.4Å; A328-K330 PolarHBondContact O-N 3.11Å; K330-T332 PolarHBondContact O-N 3.26Å
331	C	95.4	Very high	93	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.007	26%	0.261	C	S	.	.	S	Bend	trans	-94.9	33.9	178.2	-57.1	0	0	0	0	111.7	H299 P323 P327 A328 N339 Y387	H299-C331 WeakPolarHBondContact O-CA 3.21Å; H299-C331 WeakPolarHBondContact O-CB 3.35Å; P323-C331 HydrophobicContact CG-CB 4.27Å; P323-C331 WeakPolarHBondContact CG-SG 3.33Å; P327-C331 PolarHBondContact O-SG 3.3Å; A328-C331 WeakPolarHBondContact O-CA 3.47Å; A328-C331 WeakPolarHBondContact O-CB 3.19Å; A328-C331 PolarHBondContact O-N 2.64Å; C331-N339 PolarHBondContact O-N 2.73Å; C331-N339 PolarHBondContact O-ND2 3.34Å; C331-Y387 HydrophobicContact CB-CD1 4.29Å
332	T	92.2	Very high	93	Very high	52 Å²	52	48.7 Å²	48.7	32%	0.319	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-111.5	150.1	-175.4	51.3	0	0	0	0	111.8	E329 K330 H337 L338	E329-T332 PolarHBondContact O-OG1 2.97Å; K330-T332 PolarHBondContact O-N 3.26Å; T332-H337 CarbonylContact C-O 3.55Å; T332-H337 WeakPolarHBondContact CA-O 3.45Å; T332-L338 HydrophobicContact CG2-CD2 4.26Å
333	G	85.4	Confident	93	Very high	10 Å²	10	48.8 Å²	48.8	10%	0.103	26%	0.261	C	S	.	.			trans	-80.7	179.4	170.9	0	0	0	0	0	111.7	D335 G336 H337 N339	G333-D335 PolarHBondContact O-N 3.49Å; G333-D335 VanDerWaalsContact O-N 3.07Å; G333-G336 PolarHBondContact O-N 2.94Å; G333-H337 PolarHBondContact N-O 2.93Å; G333-N339 WeakPolarHBondContact CA-OD1 3.22Å; G333-N339 PolarHBondContact N-OD1 2.88Å; G333-N339 VanDerWaalsContact N-OD1 3.15Å
334	K	82.6	Confident	93	Very high	156 Å²	156	48.8 Å²	48.8	68%	0.678	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	8.6	-178.4	-45.7	-174.5	-172.5	-164.6	0	114.1
335	D	83.9	Confident	93.1	Very high	72 Å²	72	47.6 Å²	47.6	39%	0.385	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-5.3	165.1	38.4	30.5	0	0	0	112.2	G333 H337 R402	G333-D335 PolarHBondContact O-N 3.49Å; G333-D335 VanDerWaalsContact O-N 3.07Å; D335-H337 PolarHBondContact O-N 3.35Å; D335-H337 PolarHBondContact OD1-N 2.89Å; D335-R402 VanDerWaalsContact CB-NH2 3.3Å; D335-R402 IonicContact OD1-NH2 3.75Å; D335-R402 IonicContact OD2-CZ 3.78Å; D335-R402 IonicContact OD2-NE 3.89Å; D335-R402 PolarHBondContact OD2-NE 3.45Å; D335-R402 IonicContact OD2-NH2 3.81Å; D335-R402 PolarHBondContact OD2-NH2 3.36Å
336	G	87.6	Confident	93.1	Very high	53 Å²	53	46.6 Å²	46.6	55%	0.546	24%	0.243	S	C	.	.	S	Bend	trans	75.1	8	-172	0	0	0	0	0	113.8	G333	G333-G336 PolarHBondContact O-N 2.94Å
337	H	90.7	Very high	92.9	Very high	131 Å²	131	45.9 Å²	45.9	61%	0.606	24%	0.24	S	C	*	.	S	Bend	trans	-91.3	149.8	174.9	-62.7	-21.6	0	0	0	111	T332 G333 D335	T332-H337 CarbonylContact C-O 3.55Å; T332-H337 WeakPolarHBondContact CA-O 3.45Å; G333-H337 PolarHBondContact N-O 2.93Å; D335-H337 PolarHBondContact O-N 3.35Å; D335-H337 PolarHBondContact OD1-N 2.89Å
338	L	93.9	Very high	92.8	Very high	53 Å²	53	44.7 Å²	44.7	28%	0.277	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-57.9	138.9	176.6	-70.1	169.8	0	0	0	111.5	T332 K340 K386	T332-L338 HydrophobicContact CG2-CD2 4.26Å; L338-K340 PolarHBondContact O-N 3.17Å; L338-K386 WeakPolarHBondContact CD1-O 3.17Å
339	N	95	Very high	92.5	Very high	11 Å²	11	48.9 Å²	48.9	6%	0.059	26%	0.262	C	S	.	.			trans	-64.9	100.6	178.5	-70.5	-38.7	0	0	0	110.8	G163 H299 R300 P301 C331 G333	G163-N339 PolarHBondContact O-OD1 3.48Å; H299-N339 PolarHBondContact O-ND2 2.69Å; R300-N339 HydrophobicContact CB-CB 4.17Å; R300-N339 HydrophobicContact CG-CB 3.83Å; P301-N339 WeakPolarHBondContact CD-O 3.2Å; C331-N339 PolarHBondContact O-N 2.73Å; C331-N339 PolarHBondContact O-ND2 3.34Å; G333-N339 WeakPolarHBondContact CA-OD1 3.22Å; G333-N339 PolarHBondContact N-OD1 2.88Å; G333-N339 VanDerWaalsContact N-OD1 3.15Å
340	K	95.4	Very high	92.2	Very high	76 Å²	76	45.6 Å²	45.6	33%	0.33	26%	0.261	S	S	.	.			trans	-42.8	130.7	174.2	-63.8	167.4	-169.9	171.2	0	110.9	R300 L338 V397 G399 D401	R300-K340 PolarHBondContact NE-O 3.39Å; R300-K340 PolarHBondContact NH2-O 3.37Å; L338-K340 PolarHBondContact O-N 3.17Å; K340-V397 HydrophobicContact CD-CG1 4.32Å; K340-G399 VanDerWaalsContact CB-O 3.28Å; K340-G399 WeakPolarHBondContact CB-O 3.28Å; K340-D401 IonicContact NZ-OD1 2.76Å; K340-D401 PolarHBondContact NZ-OD1 3.15Å
341	P	97.1	Very high	91.8	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.013	24%	0.242	C	C	.	.			trans	-55.6	140.6	-174.3	19	-32.8	0	0	0	113.8	P301 I303 I388 V397 I398 G399	P301-P341 HydrophobicContact CB-CB 4.12Å; P301-P341 WeakPolarHBondContact O-CA 3.33Å; I303-P341 HydrophobicContact CD1-CB 3.72Å; I303-P341 HydrophobicContact CD1-CG 3.85Å; I303-P341 HydrophobicContact CG1-CB 3.99Å; P341-I388 HydrophobicContact CB-CD1 4.47Å; P341-I388 HydrophobicContact CG-CD1 4.37Å; P341-I388 HydrophobicContact CG-CG2 4.23Å; P341-V397 WeakPolarHBondContact CD-O 3.37Å; P341-I398 HydrophobicContact CB-CD1 4.5Å; P341-I398 HydrophobicContact CG-CD1 3.92Å; P341-G399 PolarHBondContact O-N 2.81Å
342	I	97.9	Very high	91.3	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	154.6	159.3	54.2	167.7	0	0	0	110.1	V223 A226 L227 L298 P301 I302 I303	V223-I342 HydrophobicContact CG1-CD1 4.13Å; V223-I342 HydrophobicContact CG2-CD1 4.33Å; A226-I342 HydrophobicContact CB-CB 4.23Å; A226-I342 HydrophobicContact CB-CD1 4.34Å; A226-I342 HydrophobicContact CB-CG2 4.23Å; L227-I342 HydrophobicContact CD2-CD1 4.41Å; L227-I342 HydrophobicContact CD2-CG2 4.07Å; L298-I342 HydrophobicContact CD1-CD1 4.31Å; P301-I342 PolarHBondContact O-N 3.22Å; P301-I342 VanDerWaalsContact O-N 3.16Å; I302-I342 HydrophobicContact CB-CG1 4.32Å; I302-I342 HydrophobicContact CD1-CD1 4.32Å; I302-I342 HydrophobicContact CG1-CD1 4.05Å; I302-I342 HydrophobicContact CG1-CG1 3.9Å; I302-I342 HydrophobicContact CG2-CD1 4.45Å; I302-I342 HydrophobicContact CG2-CG1 4.22Å; I303-I342 PolarHBondContact N-O 2.99Å
343	C	97.8	Very high	91.2	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.007	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133	-178.9	-165.2	0	0	0	0	111.1	I303 L357 I398	I303-C343 WeakPolarHBondContact O-CA 3.48Å; C343-L357 HydrophobicContact CB-CB 4.13Å; C343-L357 PolarHBondContact O-N 3.23Å; C343-I398 HydrophobicContact CB-CG2 3.54Å
344	I	97.8	Very high	91.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	162.2	173.6	57.9	170.9	0	0	0	108.6	L219 A222 I291 I302 I303 L304 L305 Y354 I355	L219-I344 HydrophobicContact CD1-CD1 3.66Å; A222-I344 HydrophobicContact CB-CG2 4.07Å; I291-I344 HydrophobicContact CD1-CD1 4.41Å; I291-I344 HydrophobicContact CG2-CD1 4.25Å; I302-I344 HydrophobicContact CG2-CD1 3.94Å; I302-I344 HydrophobicContact CG2-CG1 3.97Å; I303-I344 WeakPolarHBondContact O-CG1 3.44Å; I303-I344 PolarHBondContact O-N 2.67Å; L304-I344 WeakPolarHBondContact CA-O 3.35Å; L304-I344 HydrophobicContact CB-CG1 4.26Å; L304-I344 HydrophobicContact CD1-CD1 4.12Å; L304-I344 HydrophobicContact CD1-CG1 3.91Å; L305-I344 PolarHBondContact N-O 3.01Å; I344-Y354 HydrophobicContact CD1-CD1 4.16Å; I344-I355 CarbonylContact C-O 3.6Å; I344-I355 VanDerWaalsContact CA-O 3.3Å; I344-I355 WeakPolarHBondContact CA-O 3.46Å
345	A	96.6	Very high	92.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	162.3	178.7	0	0	0	0	0	112.3	L190 L305 I355 L357	L190-A345 HydrophobicContact CD1-CB 3.62Å; L190-A345 HydrophobicContact CD2-CB 4.27Å; L305-A345 HydrophobicContact CB-CB 4.33Å; L305-A345 VanDerWaalsContact O-CA 3.26Å; L305-A345 WeakPolarHBondContact O-CA 3.25Å; A345-I355 HydrophobicContact CB-CG1 4.43Å; A345-I355 PolarHBondContact N-O 3.21Å; A345-I355 VanDerWaalsContact O-CG1 3.29Å; A345-I355 WeakPolarHBondContact O-CG1 3.22Å; A345-I355 PolarHBondContact O-N 2.71Å; A345-L357 HydrophobicContact CB-CD1 3.99Å; A345-L357 HydrophobicContact CB-CD2 4.03Å; A345-L357 HydrophobicContact CB-CG 3.94Å
346	W	94.5	Very high	92.9	Very high	14 Å²	14	35.4 Å²	35.4	5%	0.053	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	135.3	165	-65.5	114.8	0	0	0	111.2	Y189 L304 L305 Y317 S348 R351 Y354	Y189-W346 HydrophobicContact CE1-CB 4.41Å; L304-W346 HydrophobicContact CD2-CZ2 4.24Å; L305-W346 PolarHBondContact O-N 2.96Å; Y317-W346 PolarHBondContact O-NE1 2.77Å; W346-S348 VanDerWaalsContact C-N 3.35Å; W346-R351 HydrophobicContact CB-CG 4.39Å; W346-R351 HydrophobicContact CD2-CB 3.84Å; W346-R351 HydrophobicContact CD2-CG 4.05Å; W346-R351 VanDerWaalsContact CE3-C 3.42Å; W346-R351 HydrophobicContact CE3-CB 4.09Å; W346-R351 HydrophobicContact CG-CB 4.23Å; W346-R351 HydrophobicContact CG-CG 3.9Å; W346-R351 HydrophobicContact CH2-CB 4.39Å; W346-R351 WeakPolarHBondContact CH2-O 3.09Å; W346-R351 HydrophobicContact CZ2-CB 4.2Å; W346-R351 HydrophobicContact CZ3-CB 4.37Å; W346-R351 WeakPolarHBondContact CZ3-O 3.16Å; W346-Y354 HydrophobicContact CD2-CE1 4.3Å; W346-Y354 HydrophobicContact CE3-CD1 4.07Å; W346-Y354 HydrophobicContact CE3-CE1 4.03Å; W346-Y354 HydrophobicContact CE3-CG 4.47Å; W346-Y354 HydrophobicContact CH2-CD1 4.23Å; W346-Y354 HydrophobicContact CH2-CD2 4.49Å; W346-Y354 AromaticContact CH2-CE1 3.43Å; W346-Y354 HydrophobicContact CH2-CE1 3.43Å; W346-Y354 VanDerWaalsContact CH2-CE1 3.43Å; W346-Y354 AromaticContact CH2-CE2 3.76Å; W346-Y354 HydrophobicContact CH2-CE2 3.76Å; W346-Y354 AromaticContact CH2-CZ 3.16Å; W346-Y354 WeakPolarHBondContact CH2-OH 3.39Å; W346-Y354 AromaticContact CZ2-CE1 3.68Å; W346-Y354 HydrophobicContact CZ2-CE1 3.68Å; W346-Y354 AromaticContact CZ2-CZ 3.76Å; W346-Y354 AromaticContact CZ3-CD1 3.91Å; W346-Y354 HydrophobicContact CZ3-CD1 3.91Å; W346-Y354 HydrophobicContact CZ3-CD2 4.06Å; W346-Y354 AromaticContact CZ3-CE1 3.59Å; W346-Y354 HydrophobicContact CZ3-CE1 3.59Å; W346-Y354 AromaticContact CZ3-CE2 3.76Å; W346-Y354 HydrophobicContact CZ3-CE2 3.76Å; W346-Y354 HydrophobicContact CZ3-CG 4.14Å; W346-Y354 AromaticContact CZ3-CZ 3.52Å
347	S	92.2	Very high	93.4	Very high	8 Å²	8	33.1 Å²	33.1	6%	0.056	19%	0.185	C	C	.	.	S	Bend	trans	-77.6	-18	176.3	71.9	0	0	0	0	114.2	S186 H353	S186-S347 VanDerWaalsContact CA-O 3.25Å; S186-S347 WeakPolarHBondContact CA-O 3.41Å; S186-S347 PolarHBondContact N-O 3.16Å; S347-H353 PolarHBondContact N-O 2.85Å; S347-H353 VanDerWaalsContact N-O 3.1Å; S347-H353 PolarHBondContact OG-CD2 2.99Å
348	S	91.5	Very high	93.7	Very high	38 Å²	38	27.1 Å²	27.1	27%	0.266	16%	0.158	S	C	.	.	S	Bend	trans	-157.6	167	-176.6	77.2	0	0	0	0	112.6	Y189 W346 G350 R351	Y189-S348 VanDerWaalsContact CD1-CA 3.47Å; W346-S348 VanDerWaalsContact C-N 3.35Å; S348-G350 PolarHBondContact O-N 3.22Å; S348-G350 VanDerWaalsContact O-N 3.12Å; S348-G350 PolarHBondContact OG-N 3.06Å; S348-R351 PolarHBondContact O-N 3.31Å
349	S	87.9	Confident	93.7	Very high	92 Å²	92	24.9 Å²	24.9	64%	0.643	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-14.2	172.1	51.2	0	0	0	0	114.6	Y189 R351	Y189-S349 VanDerWaalsContact CZ-N 3.28Å; Y189-S349 WeakPolarHBondContact OH-CA 3.32Å; S349-R351 PolarHBondContact O-N 3.03Å
350	G	85.8	Confident	93.7	Very high	51 Å²	51	25.5 Å²	25.5	53%	0.526	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-16	171.6	0	0	0	0	0	113.8	S348 N352	S348-G350 PolarHBondContact O-N 3.22Å; S348-G350 VanDerWaalsContact O-N 3.12Å; S348-G350 PolarHBondContact OG-N 3.06Å; G350-N352 PolarHBondContact O-N 3.03Å; G350-N352 VanDerWaalsContact O-N 3.12Å
351	R	86.3	Confident	93.6	Very high	52 Å²	52	25.8 Å²	25.8	20%	0.196	15%	0.151	C	C	.	.			trans	46	45.5	174.7	-63.4	172.5	171.3	156.2	-15	113.4	D306 G310 S313 Y317 W346 S348 S349	D306-R351 IonicContact OD2-CZ 2.72Å; D306-R351 IonicContact OD2-NE 3.29Å; D306-R351 PolarHBondContact OD2-NE 2.59Å; D306-R351 IonicContact OD2-NH2 3.55Å; D306-R351 PolarHBondContact OD2-NH2 2.91Å; G310-R351 PolarHBondContact O-NH2 2.7Å; S313-R351 PolarHBondContact OG-NH2 2.83Å; Y317-R351 VanDerWaalsContact CD1-CD 3.5Å; Y317-R351 VanDerWaalsContact CD2-CZ 3.47Å; Y317-R351 VanDerWaalsContact CE2-NH1 3.34Å; Y317-R351 VanDerWaalsContact CG-CZ 3.5Å; W346-R351 HydrophobicContact CB-CG 4.39Å; W346-R351 HydrophobicContact CD2-CB 3.84Å; W346-R351 HydrophobicContact CD2-CG 4.05Å; W346-R351 VanDerWaalsContact CE3-C 3.42Å; W346-R351 HydrophobicContact CE3-CB 4.09Å; W346-R351 HydrophobicContact CG-CB 4.23Å; W346-R351 HydrophobicContact CG-CG 3.9Å; W346-R351 HydrophobicContact CH2-CB 4.39Å; W346-R351 WeakPolarHBondContact CH2-O 3.09Å; W346-R351 HydrophobicContact CZ2-CB 4.2Å; W346-R351 HydrophobicContact CZ3-CB 4.37Å; W346-R351 WeakPolarHBondContact CZ3-O 3.16Å; S348-R351 PolarHBondContact O-N 3.31Å; S349-R351 PolarHBondContact O-N 3.03Å
352	N	84.8	Confident	93.2	Very high	118 Å²	118	29.7 Å²	29.7	63%	0.631	19%	0.192	S	C	*	.			trans	-125.2	3.7	-175.1	64.6	-26.1	0	0	0	112.9	G350	G350-N352 PolarHBondContact O-N 3.03Å; G350-N352 VanDerWaalsContact O-N 3.12Å
353	H	90.3	Very high	92.8	Very high	29 Å²	29	31.9 Å²	31.9	13%	0.134	21%	0.21	C	C	.	.			trans	-148.6	123.9	-179.6	-175.8	72.9	0	0	0	111.3	V212 D213 G214 C218 S347	V212-H353 VanDerWaalsContact CG1-NE2 3.25Å; V212-H353 WeakPolarHBondContact CG1-NE2 3.46Å; V212-H353 PolarHBondContact O-NE2 3.29Å; D213-H353 PolarHBondContact O-NE2 2.9Å; G214-H353 VanDerWaalsContact CA-CE1 3.44Å; G214-H353 WeakPolarHBondContact CA-CE1 3.48Å; G214-H353 WeakPolarHBondContact CA-NE2 3.34Å; G214-H353 PolarHBondContact N-NE2 2.88Å; C218-H353 WeakPolarHBondContact CB-CE1 2.99Å; C218-H353 WeakPolarHBondContact CB-ND1 3.07Å; C218-H353 PolarHBondContact SG-CE1 3.48Å; S347-H353 PolarHBondContact N-O 2.85Å; S347-H353 VanDerWaalsContact N-O 3.1Å; S347-H353 PolarHBondContact OG-CD2 2.99Å
354	Y	94.6	Very high	92.4	Very high	12 Å²	12	35 Å²	35	5%	0.047	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	139.1	178.6	-65.6	-79.7	0	0	0	111.3	L219 L286 I291 L304 I344 W346	L219-Y354 HydrophobicContact CB-CD2 3.58Å; L219-Y354 HydrophobicContact CB-CE2 3.9Å; L219-Y354 HydrophobicContact CB-CG 4.2Å; L219-Y354 HydrophobicContact CD1-CD1 4.07Å; L219-Y354 HydrophobicContact CD1-CD2 4.03Å; L219-Y354 HydrophobicContact CD1-CE1 4.2Å; L219-Y354 HydrophobicContact CD1-CE2 4.16Å; L219-Y354 HydrophobicContact CD1-CG 3.97Å; L219-Y354 HydrophobicContact CD2-CE2 4.5Å; L219-Y354 HydrophobicContact CG-CD2 4.33Å; L219-Y354 HydrophobicContact CG-CE2 4.39Å; L286-Y354 PolarHBondContact O-OH 3.42Å; I291-Y354 HydrophobicContact CD1-CE1 3.82Å; L304-Y354 HydrophobicContact CD1-CD1 3.88Å; L304-Y354 HydrophobicContact CD1-CE1 3.81Å; L304-Y354 HydrophobicContact CD2-CE1 3.99Å; I344-Y354 HydrophobicContact CD1-CD1 4.16Å; W346-Y354 HydrophobicContact CD2-CE1 4.3Å; W346-Y354 HydrophobicContact CE3-CD1 4.07Å; W346-Y354 HydrophobicContact CE3-CE1 4.03Å; W346-Y354 HydrophobicContact CE3-CG 4.47Å; W346-Y354 HydrophobicContact CH2-CD1 4.23Å; W346-Y354 HydrophobicContact CH2-CD2 4.49Å; W346-Y354 AromaticContact CH2-CE1 3.43Å; W346-Y354 HydrophobicContact CH2-CE1 3.43Å; W346-Y354 VanDerWaalsContact CH2-CE1 3.43Å; W346-Y354 AromaticContact CH2-CE2 3.76Å; W346-Y354 HydrophobicContact CH2-CE2 3.76Å; W346-Y354 AromaticContact CH2-CZ 3.16Å; W346-Y354 WeakPolarHBondContact CH2-OH 3.39Å; W346-Y354 AromaticContact CZ2-CE1 3.68Å; W346-Y354 HydrophobicContact CZ2-CE1 3.68Å; W346-Y354 AromaticContact CZ2-CZ 3.76Å; W346-Y354 AromaticContact CZ3-CD1 3.91Å; W346-Y354 HydrophobicContact CZ3-CD1 3.91Å; W346-Y354 HydrophobicContact CZ3-CD2 4.06Å; W346-Y354 AromaticContact CZ3-CE1 3.59Å; W346-Y354 HydrophobicContact CZ3-CE1 3.59Å; W346-Y354 AromaticContact CZ3-CE2 3.76Å; W346-Y354 HydrophobicContact CZ3-CE2 3.76Å; W346-Y354 HydrophobicContact CZ3-CG 4.14Å; W346-Y354 AromaticContact CZ3-CZ 3.52Å
355	I	96.4	Very high	92.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.7	173.7	49.6	166.3	0	0	0	110.7	L190 P209 V212 I344 A345	L190-I355 HydrophobicContact CD1-CD1 4.05Å; P209-I355 HydrophobicContact CB-CD1 3.72Å; V212-I355 HydrophobicContact CB-CG2 4.44Å; I344-I355 CarbonylContact C-O 3.6Å; I344-I355 VanDerWaalsContact CA-O 3.3Å; I344-I355 WeakPolarHBondContact CA-O 3.46Å; A345-I355 HydrophobicContact CB-CG1 4.43Å; A345-I355 PolarHBondContact N-O 3.21Å; A345-I355 VanDerWaalsContact O-CG1 3.29Å; A345-I355 WeakPolarHBondContact O-CG1 3.22Å; A345-I355 PolarHBondContact O-N 2.71Å
356	P	97.5	Very high	92	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	143.3	175.2	33	-36.2	0	0	0	111.6	V210 V212 A222 R225 A226 V358	V210-P356 HydrophobicContact CB-CG 4Å; V210-P356 HydrophobicContact CG1-CG 3.94Å; V210-P356 PolarHBondContact N-O 2.87Å; V210-P356 WeakPolarHBondContact O-CD 3.31Å; V212-P356 VanDerWaalsContact CG2-CD 3.45Å; V212-P356 HydrophobicContact CG2-CG 4.23Å; A222-P356 HydrophobicContact CB-CB 4.39Å; A222-P356 WeakPolarHBondContact O-CB 3.39Å; R225-P356 HydrophobicContact CB-CB 4.48Å; R225-P356 HydrophobicContact CB-CG 3.93Å; A226-P356 HydrophobicContact CB-CB 4.13Å; P356-V358 HydrophobicContact CB-CG1 3.89Å; P356-V358 HydrophobicContact CG-CG1 4.37Å
357	L	97.4	Very high	92	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.031	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	110.9	165.7	-58.6	-167.8	0	0	0	108.2	L190 L207 I208 P209 L305 C343 A345	L190-L357 HydrophobicContact CD1-CD2 4.24Å; L207-L357 HydrophobicContact CD1-CB 4.1Å; L207-L357 HydrophobicContact CD2-CB 3.87Å; L207-L357 HydrophobicContact CD2-CD1 4.02Å; L207-L357 HydrophobicContact CG-CB 3.9Å; I208-L357 WeakPolarHBondContact O-CA 3.3Å; P209-L357 HydrophobicContact CB-CD2 3.72Å; L305-L357 HydrophobicContact CD1-CD1 3.95Å; C343-L357 HydrophobicContact CB-CB 4.13Å; C343-L357 PolarHBondContact O-N 3.23Å; A345-L357 HydrophobicContact CB-CD1 3.99Å; A345-L357 HydrophobicContact CB-CD2 4.03Å; A345-L357 HydrophobicContact CB-CG 3.94Å
358	V	96.5	Very high	92.2	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.03	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.1	-170.7	-53	0	0	0	0	112.3	F167 I169 L207 I208 V210 P356	F167-V358 HydrophobicContact CD1-CB 4.28Å; F167-V358 HydrophobicContact CD1-CG1 4.21Å; F167-V358 HydrophobicContact CD1-CG2 4.27Å; F167-V358 HydrophobicContact CE1-CG2 4.48Å; I169-V358 HydrophobicContact CB-CG2 4.37Å; I169-V358 HydrophobicContact CG2-CG2 4.28Å; L207-V358 WeakPolarHBondContact CA-O 3.44Å; I208-V358 HydrophobicContact CG1-CG2 4.07Å; I208-V358 PolarHBondContact N-O 3.45Å; I208-V358 PolarHBondContact O-N 3.27Å; V210-V358 HydrophobicContact CB-CG2 4.22Å; V210-V358 HydrophobicContact CG2-CG2 3.57Å; P356-V358 HydrophobicContact CB-CG1 3.89Å; P356-V358 HydrophobicContact CG-CG1 4.37Å
359	G	95.4	Very high	92.4	Very high	5 Å²	5	37.3 Å²	37.3	5%	0.052	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	157.5	177.2	0	0	0	0	0	112.7	L168 I169 C206	L168-G359 CarbonylContact C-O 3.49Å; L168-G359 VanDerWaalsContact CA-O 3.24Å; L168-G359 WeakPolarHBondContact CA-O 3.26Å; I169-G359 PolarHBondContact N-O 2.8Å; C206-G359 CarbonylContact O-C 3.55Å; C206-G359 VanDerWaalsContact O-CA 3.28Å; C206-G359 WeakPolarHBondContact O-CA 3.28Å
360	I	94.6	Very high	92.6	Very high	24 Å²	24	38 Å²	38	12%	0.123	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.2	171.6	-57	-179.1	0	0	0	109.9	I169 P171 V174 C206 I208 A363	I169-I360 HydrophobicContact CG2-CG1 4.1Å; P171-I360 HydrophobicContact CG-CG2 3.97Å; V174-I360 HydrophobicContact CG2-CD1 4.4Å; C206-I360 PolarHBondContact O-N 3.18Å; C206-I360 VanDerWaalsContact O-N 3.08Å; I208-I360 HydrophobicContact CG2-CD1 4.03Å; I208-I360 HydrophobicContact CG2-CG1 4.36Å; I360-A363 HydrophobicContact CB-CB 4.31Å; I360-A363 WeakPolarHBondContact O-CB 3.46Å; I360-A363 PolarHBondContact O-N 3.39Å
361	K	93	Very high	92.8	Very high	82 Å²	82	41.1 Å²	41.1	36%	0.357	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	136.7	-179.5	-161.7	-170	-176.5	177.6	0	110.7	L168 I169 E170 A363	L168-K361 HydrophobicContact CB-CB 3.89Å; L168-K361 HydrophobicContact CB-CG 4.25Å; I169-K361 WeakPolarHBondContact O-CB 3.43Å; I169-K361 PolarHBondContact O-N 2.78Å; E170-K361 VanDerWaalsContact CD-CD 3.44Å; E170-K361 WeakPolarHBondContact OE1-CD 3.4Å; E170-K361 WeakPolarHBondContact OE1-CE 3.35Å; E170-K361 IonicContact OE1-NZ 3.21Å; E170-K361 PolarHBondContact OE1-NZ 3.48Å; E170-K361 VanDerWaalsContact OE2-CD 3.23Å; E170-K361 WeakPolarHBondContact OE2-CD 3.29Å; E170-K361 IonicContact OE2-NZ 2.71Å; K361-A363 PolarHBondContact O-N 3.13Å
362	G	88.9	Confident	93.1	Very high	85 Å²	85	39 Å²	39	88%	0.876	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.6	-11.7	-174.8	0	0	0	0	0	114.6
363	A	89.4	Confident	93.5	Very high	47 Å²	47	34.4 Å²	34.4	39%	0.388	21%	0.212	S	C	.	.	S	Bend	trans	-81.6	170.5	165.7	0	0	0	0	0	111.2	I360 K361	I360-A363 HydrophobicContact CB-CB 4.31Å; I360-A363 WeakPolarHBondContact O-CB 3.46Å; I360-A363 PolarHBondContact O-N 3.39Å; K361-A363 PolarHBondContact O-N 3.13Å
364	A	89.6	Confident	93.7	Very high	67 Å²	67	33.7 Å²	33.7	55%	0.554	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-65.6	148.4	168.1	0	0	0	0	0	110.8
365	L	91.9	Very high	93.6	Very high	49 Å²	49	39.7 Å²	39.7	26%	0.257	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-60	131	175.7	-68	-178.7	0	0	0	110.2	L168 K367 V397 D401	L168-L365 HydrophobicContact CD1-CD2 4.3Å; L168-L365 HydrophobicContact CD2-CD2 4.36Å; L365-K367 PolarHBondContact O-N 3.42Å; L365-V397 HydrophobicContact CB-CG1 3.64Å; L365-V397 HydrophobicContact CD1-CG1 4.03Å; L365-V397 HydrophobicContact CG-CG1 4.49Å; L365-D401 HydrophobicContact CD1-CB 4.42Å; L365-D401 HydrophobicContact CD2-CB 4.43Å
366	P	93.6	Very high	93.5	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.013	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-64.9	134.8	-174.1	-23.2	34.1	0	0	0	113.2	C206 L207 I398	C206-P366 HydrophobicContact CB-CB 4.29Å; C206-P366 HydrophobicContact CB-CG 4.1Å; C206-P366 WeakPolarHBondContact O-CG 3.47Å; L207-P366 HydrophobicContact CB-CB 3.93Å; L207-P366 HydrophobicContact CB-CG 4.09Å; L207-P366 HydrophobicContact CD1-CB 3.9Å; L207-P366 HydrophobicContact CD1-CG 3.83Å; L207-P366 HydrophobicContact CG-CB 4.42Å; P366-I398 HydrophobicContact CB-CB 4.42Å; P366-I398 PolarHBondContact O-N 3.25Å
367	K	95	Very high	93.4	Very high	41 Å²	41	42.1 Å²	42.1	18%	0.178	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.1	173.3	-169.1	172	-175.2	175.2	0	111	N201 L365 E391 D393 C396	N201-K367 PolarHBondContact ND2-O 2.92Å; N201-K367 WeakPolarHBondContact OD1-CB 3.44Å; N201-K367 PolarHBondContact OD1-N 2.87Å; L365-K367 PolarHBondContact O-N 3.42Å; K367-E391 VanDerWaalsContact NZ-CB 3.32Å; K367-D393 WeakPolarHBondContact CE-OD1 3.24Å; K367-D393 VanDerWaalsContact CE-OD2 3.25Å; K367-D393 WeakPolarHBondContact CE-OD2 3.4Å; K367-D393 IonicContact NZ-OD1 3.24Å; K367-D393 PolarHBondContact NZ-OD1 3.37Å; K367-D393 IonicContact NZ-OD2 2.71Å; K367-D393 PolarHBondContact NZ-OD2 2.88Å; K367-C396 CarbonylContact C-O 3.54Å; K367-C396 WeakPolarHBondContact CA-O 3.41Å
368	L	96.2	Very high	93	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	118	167.5	-175.4	70.7	0	0	0	108.3	I197 I303 L305 L372 L373 G395 C396 I398	I197-L368 HydrophobicContact CD1-CD1 3.84Å; I197-L368 HydrophobicContact CG1-CD1 4Å; I303-L368 HydrophobicContact CD1-CD2 3.86Å; I303-L368 HydrophobicContact CG2-CD2 4.13Å; L305-L368 HydrophobicContact CD1-CD1 3.83Å; L305-L368 HydrophobicContact CD2-CD1 4.44Å; L305-L368 HydrophobicContact CD2-CD2 4.35Å; L368-L372 HydrophobicContact CD1-CB 3.73Å; L368-L372 HydrophobicContact CD1-CD1 4.48Å; L368-L372 HydrophobicContact CG-CB 4.33Å; L368-L373 HydrophobicContact CD2-CB 4.42Å; L368-L373 HydrophobicContact CD2-CD1 4.11Å; L368-G395 CarbonylContact O-C 3.51Å; L368-G395 WeakPolarHBondContact O-CA 3.47Å; L368-C396 PolarHBondContact N-O 2.87Å; L368-C396 PolarHBondContact O-N 3.43Å; L368-I398 HydrophobicContact CB-CD1 3.78Å; L368-I398 HydrophobicContact CB-CG1 3.85Å; L368-I398 HydrophobicContact CD2-CD1 4.27Å
369	P	94.5	Very high	92.9	Very high	16 Å²	16	43.7 Å²	43.7	10%	0.104	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-72.9	153	178.9	32.2	-37.2	0	0	0	111.6	A200 N371 L372 L373	A200-P369 HydrophobicContact CB-CB 3.91Å; A200-P369 HydrophobicContact CB-CG 3.82Å; P369-N371 VanDerWaalsContact CB-OD1 3.31Å; P369-N371 WeakPolarHBondContact CB-OD1 3.2Å; P369-N371 WeakPolarHBondContact CG-OD1 3.38Å; P369-N371 PolarHBondContact O-N 3.38Å; P369-N371 VanDerWaalsContact O-N 3.1Å; P369-L372 HydrophobicContact CG-CB 4.36Å; P369-L372 HydrophobicContact CG-CD1 3.9Å; P369-L372 HydrophobicContact CG-CG 4.05Å; P369-L372 PolarHBondContact O-N 3.01Å; P369-L373 PolarHBondContact O-N 3.01Å
370	M	92.1	Very high	92.8	Very high	105 Å²	105	47 Å²	47	52%	0.517	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-56	-31.8	-172.9	-175.6	59.6	-168.2	0	0	114.1	L372 L373	M370-L372 PolarHBondContact O-N 3.17Å; M370-L373 PolarHBondContact O-N 3.17Å; M370-L373 HydrophobicContact SD-CB 4.46Å; M370-L373 HydrophobicContact SD-CD2 4Å
371	N	90.6	Very high	92.8	Very high	117 Å²	117	50 Å²	50	63%	0.626	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-70.4	-12.1	178	69.2	-55.6	0	0	0	114.2	P369	P369-N371 VanDerWaalsContact CB-OD1 3.31Å; P369-N371 WeakPolarHBondContact CB-OD1 3.2Å; P369-N371 WeakPolarHBondContact CG-OD1 3.38Å; P369-N371 PolarHBondContact O-N 3.38Å; P369-N371 VanDerWaalsContact O-N 3.1Å
372	L	93.5	Very high	92.9	Very high	8 Å²	8	51.2 Å²	51.2	4%	0.042	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-112.8	-0.2	176.4	-58	-177.7	0	0	0	112.8	D196 I197 L305 L308 M311 L368 P369 M370 P374	D196-L372 HydrophobicContact CB-CD1 4.01Å; I197-L372 HydrophobicContact CD1-CD1 4.41Å; I197-L372 HydrophobicContact CG1-CD1 3.6Å; L305-L372 WeakPolarHBondContact CD2-O 3.5Å; L308-L372 HydrophobicContact CD2-CD2 3.55Å; M311-L372 HydrophobicContact CE-CD2 3.99Å; L368-L372 HydrophobicContact CD1-CB 3.73Å; L368-L372 HydrophobicContact CD1-CD1 4.48Å; L368-L372 HydrophobicContact CG-CB 4.33Å; P369-L372 HydrophobicContact CG-CB 4.36Å; P369-L372 HydrophobicContact CG-CD1 3.9Å; P369-L372 HydrophobicContact CG-CG 4.05Å; P369-L372 PolarHBondContact O-N 3.01Å; M370-L372 PolarHBondContact O-N 3.17Å; L372-P374 VanDerWaalsContact O-CD 3.24Å; L372-P374 WeakPolarHBondContact O-CD 3.26Å
373	L	93.5	Very high	93.2	Very high	22 Å²	22	49.1 Å²	49.1	12%	0.115	28%	0.275	C	S	.	.			trans	-77.8	113.4	175.3	-179.8	61.2	0	0	0	109.7	I303 L368 P369 M370 I384 L390	I303-L373 HydrophobicContact CD1-CD1 3.69Å; I303-L373 HydrophobicContact CG1-CD1 4.42Å; L368-L373 HydrophobicContact CD2-CB 4.42Å; L368-L373 HydrophobicContact CD2-CD1 4.11Å; P369-L373 PolarHBondContact O-N 3.01Å; M370-L373 PolarHBondContact O-N 3.17Å; M370-L373 HydrophobicContact SD-CB 4.46Å; M370-L373 HydrophobicContact SD-CD2 4Å; L373-I384 HydrophobicContact CD2-CG2 4.2Å; L373-L390 HydrophobicContact CD2-CD2 4.18Å
374	P	93.2	Very high	93.6	Very high	14 Å²	14	47.8 Å²	47.8	9%	0.091	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-70.8	158.1	-179.4	-17.1	32.6	0	0	0	111.8	I303 L305 T320 L372	I303-P374 HydrophobicContact CG2-CG 4.12Å; L305-P374 HydrophobicContact CD2-CG 3.75Å; T320-P374 WeakPolarHBondContact CB-O 3.5Å; T320-P374 PolarHBondContact OG1-O 2.8Å; L372-P374 VanDerWaalsContact O-CD 3.24Å; L372-P374 WeakPolarHBondContact O-CD 3.26Å
375	K	93.1	Very high	93.8	Very high	138 Å²	138	52.4 Å²	52.4	60%	0.6	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-57	151.9	172.7	-70.7	-177.1	-177.5	176.9	0	111.9	T320 Q381	T320-K375 PolarHBondContact N-O 3.19Å; K375-Q381 VanDerWaalsContact CB-OE1 3.29Å
376	A	95	Very high	94	Very high	9 Å²	9	54.7 Å²	54.7	7%	0.074	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-64.2	138.5	170.6	0	0	0	0	0	110.7	T320 L322 V379 Q381 I384	T320-A376 CarbonylContact O-C 3.5Å; T320-A376 VanDerWaalsContact O-CA 3.26Å; T320-A376 WeakPolarHBondContact O-CA 3.35Å; L322-A376 HydrophobicContact CD1-CB 4.23Å; A376-V379 HydrophobicContact CB-CG2 4.02Å; A376-Q381 PolarHBondContact O-NE2 2.91Å; A376-I384 HydrophobicContact CB-CD1 4.1Å; A376-I384 HydrophobicContact CB-CG1 3.97Å
377	W	94.1	Very high	94.2	Very high	41 Å²	41	55.3 Å²	55.3	16%	0.155	28%	0.279	C	S	.	.	S	Bend	trans	-107.4	137.2	177.9	-174.6	92.7	0	0	0	111.7	F256 N288 I289 F292 A319 T320 F321 V379	F256-W377 HydrophobicContact CD1-CH2 4.27Å; F256-W377 HydrophobicContact CE1-CE3 4.21Å; F256-W377 AromaticContact CE1-CH2 3.51Å; F256-W377 HydrophobicContact CE1-CH2 3.51Å; F256-W377 HydrophobicContact CE1-CZ2 4.19Å; F256-W377 AromaticContact CE1-CZ3 3.53Å; F256-W377 HydrophobicContact CE1-CZ3 3.53Å; F256-W377 HydrophobicContact CE2-CZ3 4.42Å; F256-W377 HydrophobicContact CZ-CE3 4.17Å; F256-W377 AromaticContact CZ-CH2 3.8Å; F256-W377 HydrophobicContact CZ-CH2 3.8Å; F256-W377 AromaticContact CZ-CZ3 3.4Å; F256-W377 HydrophobicContact CZ-CZ3 3.4Å; F256-W377 VanDerWaalsContact CZ-CZ3 3.4Å; N288-W377 HydrophobicContact CB-CD2 4.42Å; N288-W377 HydrophobicContact CB-CH2 4.35Å; N288-W377 HydrophobicContact CB-CZ2 3.94Å; I289-W377 HydrophobicContact CB-CH2 3.99Å; I289-W377 HydrophobicContact CD1-CH2 3.97Å; I289-W377 HydrophobicContact CD1-CZ3 4.04Å; F292-W377 HydrophobicContact CB-CE3 3.87Å; F292-W377 HydrophobicContact CB-CZ3 3.67Å; F292-W377 HydrophobicContact CD1-CZ3 4.33Å; F292-W377 HydrophobicContact CG-CE3 4.21Å; F292-W377 HydrophobicContact CG-CZ3 4.06Å; A319-W377 HydrophobicContact CB-CB 3.66Å; A319-W377 HydrophobicContact CB-CG 4.29Å; T320-W377 PolarHBondContact O-N 3.26Å; F321-W377 HydrophobicContact CD1-CB 4.05Å; F321-W377 HydrophobicContact CD1-CD2 4.3Å; F321-W377 AromaticContact CD1-CE3 3.91Å; F321-W377 HydrophobicContact CD1-CE3 3.91Å; F321-W377 HydrophobicContact CD1-CG 4.39Å; F321-W377 HydrophobicContact CE1-CB 3.81Å; F321-W377 AromaticContact CE1-CD2 3.69Å; F321-W377 HydrophobicContact CE1-CD2 3.69Å; F321-W377 AromaticContact CE1-CE3 3.64Å; F321-W377 HydrophobicContact CE1-CE3 3.64Å; F321-W377 AromaticContact CE1-CG 3.78Å; F321-W377 HydrophobicContact CE1-CG 3.78Å; F321-W377 HydrophobicContact CE1-CZ3 4.47Å; F321-W377 HydrophobicContact CZ-CB 4.46Å; F321-W377 HydrophobicContact CZ-CG 4.48Å; W377-V379 PolarHBondContact O-N 3.28Å; W377-V379 VanDerWaalsContact O-N 3.12Å
378	G	89.6	Confident	94.2	Very high	27 Å²	27	53.4 Å²	53.4	28%	0.278	27%	0.271	S	S	.	.	S	Bend	trans	68.8	-1.5	-179.5	0	0	0	0	0	116
379	V	93.3	Very high	94.1	Very high	18 Å²	18	60.6 Å²	60.6	11%	0.109	30%	0.302	C	S	.	.	S	Bend	trans	-144.8	160	-176.7	-58.8	0	0	0	0	112.3	F292 L322 A376 W377 L383	F292-V379 HydrophobicContact CE2-CG1 3.71Å; F292-V379 HydrophobicContact CZ-CG1 3.82Å; L322-V379 HydrophobicContact CB-CG2 4.26Å; L322-V379 HydrophobicContact CD1-CG2 4.03Å; L322-V379 HydrophobicContact CG-CG2 4.37Å; A376-V379 HydrophobicContact CB-CG2 4.02Å; W377-V379 PolarHBondContact O-N 3.28Å; W377-V379 VanDerWaalsContact O-N 3.12Å; V379-L383 HydrophobicContact CB-CD1 4.13Å; V379-L383 HydrophobicContact CG2-CD1 4.41Å
380	P	94.9	Very high	94.1	Very high	74 Å²	74	62 Å²	62	48%	0.481	31%	0.309	S	S	.	.			trans	-57.6	147.1	176.5	-26.6	36	0	0	0	114.4	D382 L383	P380-D382 WeakPolarHBondContact CB-OD1 3.28Å; P380-L383 HydrophobicContact CB-CG 4.43Å; P380-L383 WeakPolarHBondContact O-CB 3.2Å; P380-L383 PolarHBondContact O-N 3.34Å
381	Q	94.5	Very high	94.1	Very high	86 Å²	86	60.4 Å²	60.4	40%	0.402	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-73.3	-29.6	-171.4	-57.7	-60.8	-54.3	0	0	113.4	K375 A376 L383 I384	K375-Q381 VanDerWaalsContact CB-OE1 3.29Å; A376-Q381 PolarHBondContact O-NE2 2.91Å; Q381-L383 PolarHBondContact O-N 3.12Å; Q381-I384 WeakPolarHBondContact O-CB 3.42Å; Q381-I384 VanDerWaalsContact O-CG1 3.31Å; Q381-I384 WeakPolarHBondContact O-CG1 3.32Å; Q381-I384 PolarHBondContact O-N 3.44Å; Q381-I384 VanDerWaalsContact O-N 3.16Å
382	D	94.7	Very high	94.1	Very high	109 Å²	109	64.9 Å²	64.9	58%	0.583	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-58.5	-31.2	174.7	50.1	-74.7	0	0	0	112.6	P380 I384 K385	P380-D382 WeakPolarHBondContact CB-OD1 3.28Å; D382-I384 PolarHBondContact O-N 3.02Å; D382-I384 VanDerWaalsContact O-N 3.13Å; D382-K385 PolarHBondContact O-N 2.88Å; D382-K385 VanDerWaalsContact O-N 3.11Å
383	L	96.1	Very high	93.8	Very high	40 Å²	40	69.2 Å²	69.2	21%	0.209	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-63	-18.4	177	-62.2	-176.2	0	0	0	113.6	L322 V379 P380 Q381 K385 K386 Y387	L322-L383 HydrophobicContact CD1-CB 3.8Å; V379-L383 HydrophobicContact CB-CD1 4.13Å; V379-L383 HydrophobicContact CG2-CD1 4.41Å; P380-L383 HydrophobicContact CB-CG 4.43Å; P380-L383 WeakPolarHBondContact O-CB 3.2Å; P380-L383 PolarHBondContact O-N 3.34Å; Q381-L383 PolarHBondContact O-N 3.12Å; L383-K385 PolarHBondContact O-N 3.08Å; L383-K386 PolarHBondContact O-N 3.22Å; L383-Y387 HydrophobicContact CB-CD2 4.13Å; L383-Y387 HydrophobicContact CB-CE2 4.16Å; L383-Y387 HydrophobicContact CD1-CE2 4.4Å; L383-Y387 HydrophobicContact CD2-CE2 4.44Å; L383-Y387 WeakPolarHBondContact O-CD2 3.36Å; L383-Y387 PolarHBondContact O-N 3.37Å; L383-Y387 VanDerWaalsContact O-N 3.08Å
384	I	96.1	Very high	93.6	Very high	20 Å²	20	69 Å²	69	10%	0.103	34%	0.343	C	S	.	.	H	α-helix	trans	-52.7	-44.4	171.9	-67.2	175.1	0	0	0	109.8	L322 L373 A376 Q381 D382 K386 Y387 I388 L390	L322-I384 HydrophobicContact CD1-CG1 4.11Å; L373-I384 HydrophobicContact CD2-CG2 4.2Å; A376-I384 HydrophobicContact CB-CD1 4.1Å; A376-I384 HydrophobicContact CB-CG1 3.97Å; Q381-I384 WeakPolarHBondContact O-CB 3.42Å; Q381-I384 VanDerWaalsContact O-CG1 3.31Å; Q381-I384 WeakPolarHBondContact O-CG1 3.32Å; Q381-I384 PolarHBondContact O-N 3.44Å; Q381-I384 VanDerWaalsContact O-N 3.16Å; D382-I384 PolarHBondContact O-N 3.02Å; D382-I384 VanDerWaalsContact O-N 3.13Å; I384-K386 VanDerWaalsContact C-N 3.27Å; I384-K386 PolarHBondContact O-N 3.18Å; I384-Y387 PolarHBondContact O-N 3Å; I384-I388 HydrophobicContact CG2-CD1 4.47Å; I384-I388 WeakPolarHBondContact O-CA 3.45Å; I384-I388 WeakPolarHBondContact O-CB 3.3Å; I384-I388 PolarHBondContact O-N 2.91Å; I384-L390 HydrophobicContact CG2-CD2 4.41Å
385	K	94.9	Very high	93.5	Very high	164 Å²	164	68.3 Å²	68.3	71%	0.713	34%	0.339	S	S	*	.	H	α-helix	trans	-72.4	-16.6	179.4	-62.7	-176.3	178.9	-176.8	0	113.8	D382 L383 L390	D382-K385 PolarHBondContact O-N 2.88Å; D382-K385 VanDerWaalsContact O-N 3.11Å; L383-K385 PolarHBondContact O-N 3.08Å; K385-L390 HydrophobicContact CG-CD1 4.03Å
386	K	96.1	Very high	93.6	Very high	97 Å²	97	61.7 Å²	61.7	42%	0.422	31%	0.31	S	S	.	.	H	α-helix	trans	-84.8	-35.6	176.3	-172.2	174.4	-178.1	-177.8	0	112.3	A328 E329 L338 L383 I384	A328-K386 HydrophobicContact CB-CD 4.18Å; A328-K386 VanDerWaalsContact CB-CE 3.49Å; A328-K386 HydrophobicContact CB-CG 3.87Å; E329-K386 IonicContact OE1-NZ 2.69Å; E329-K386 PolarHBondContact OE1-NZ 3.24Å; L338-K386 WeakPolarHBondContact CD1-O 3.17Å; L383-K386 PolarHBondContact O-N 3.22Å; I384-K386 VanDerWaalsContact C-N 3.27Å; I384-K386 PolarHBondContact O-N 3.18Å
387	Y	96.7	Very high	93.7	Very high	14 Å²	14	62.7 Å²	62.7	6%	0.055	32%	0.315	C	S	.	.	H	α-helix	trans	-106.7	-18.5	-175.1	-65.1	-80.6	0	0	0	114.5	L322 P323 I326 A328 C331 L383 I384	L322-Y387 HydrophobicContact CB-CD2 4.25Å; L322-Y387 HydrophobicContact CD1-CD2 4.18Å; P323-Y387 HydrophobicContact CG-CD1 3.59Å; P323-Y387 HydrophobicContact CG-CE1 3.96Å; P323-Y387 HydrophobicContact CG-CG 4.23Å; I326-Y387 WeakPolarHBondContact O-CE1 3.45Å; I326-Y387 PolarHBondContact O-OH 3.21Å; I326-Y387 VanDerWaalsContact O-OH 3.08Å; A328-Y387 VanDerWaalsContact CA-CE1 3.42Å; A328-Y387 HydrophobicContact CB-CD1 3.67Å; A328-Y387 HydrophobicContact CB-CE1 3.43Å; A328-Y387 VanDerWaalsContact CB-CE1 3.43Å; A328-Y387 HydrophobicContact CB-CG 4.48Å; C331-Y387 HydrophobicContact CB-CD1 4.29Å; L383-Y387 HydrophobicContact CB-CD2 4.13Å; L383-Y387 HydrophobicContact CB-CE2 4.16Å; L383-Y387 HydrophobicContact CD1-CE2 4.4Å; L383-Y387 HydrophobicContact CD2-CE2 4.44Å; L383-Y387 WeakPolarHBondContact O-CD2 3.36Å; L383-Y387 PolarHBondContact O-N 3.37Å; L383-Y387 VanDerWaalsContact O-N 3.08Å; I384-Y387 PolarHBondContact O-N 3Å
388	I	95.9	Very high	93.7	Very high	2 Å²	2	61 Å²	61	1%	0.01	31%	0.309	C	S	.	.	S	Bend	trans	-120.7	122.8	176.5	-58.6	176.4	0	0	0	108.7	P301 T320 L322 P341 I384 L390 C396	P301-I388 HydrophobicContact CB-CD1 3.94Å; P301-I388 HydrophobicContact CB-CG1 3.84Å; P301-I388 HydrophobicContact CG-CD1 4.36Å; P301-I388 HydrophobicContact CG-CG1 3.71Å; T320-I388 HydrophobicContact CG2-CD1 3.77Å; L322-I388 HydrophobicContact CD2-CD1 3.94Å; L322-I388 HydrophobicContact CD2-CG1 4.16Å; P341-I388 HydrophobicContact CB-CD1 4.47Å; P341-I388 HydrophobicContact CG-CD1 4.37Å; P341-I388 HydrophobicContact CG-CG2 4.23Å; I384-I388 HydrophobicContact CG2-CD1 4.47Å; I384-I388 WeakPolarHBondContact O-CA 3.45Å; I384-I388 WeakPolarHBondContact O-CB 3.3Å; I384-I388 PolarHBondContact O-N 2.91Å; I388-L390 HydrophobicContact CG2-CD2 4.01Å; I388-L390 PolarHBondContact O-N 2.9Å; I388-C396 HydrophobicContact CG2-CB 3.63Å
389	K	94.3	Very high	93.6	Very high	152 Å²	152	60.2 Å²	60.2	66%	0.661	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-68.5	116.5	166.5	-174.7	-175.4	177	-170	0	108.7
390	L	94.3	Very high	93.2	Very high	45 Å²	45	59.6 Å²	59.6	24%	0.236	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-88.9	149.9	170.4	-55.9	-176.7	0	0	0	110.4	L373 I384 K385 I388 G395 C396	L373-L390 HydrophobicContact CD2-CD2 4.18Å; I384-L390 HydrophobicContact CG2-CD2 4.41Å; K385-L390 HydrophobicContact CG-CD1 4.03Å; I388-L390 HydrophobicContact CG2-CD2 4.01Å; I388-L390 PolarHBondContact O-N 2.9Å; L390-G395 CarbonylContact C-O 3.57Å; L390-G395 WeakPolarHBondContact CA-O 3.28Å; L390-C396 HydrophobicContact CD2-CB 4.01Å
391	E	92.5	Very high	92.5	Very high	71 Å²	71	60.7 Å²	60.7	33%	0.332	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-87.5	172.2	172.7	-60.2	-68.9	130.5	0	0	110.5	K367 D393 G394 G395 V397	K367-E391 VanDerWaalsContact NZ-CB 3.32Å; E391-D393 VanDerWaalsContact C-N 3.26Å; E391-D393 PolarHBondContact O-N 2.92Å; E391-G394 WeakPolarHBondContact O-CA 3.42Å; E391-G394 PolarHBondContact O-N 2.95Å; E391-G395 PolarHBondContact N-O 3.42Å; E391-V397 HydrophobicContact CG-CG2 4.28Å
392	E	89.3	Confident	92.1	Very high	211 Å²	211	60 Å²	60	99%	0.986	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-29.7	-174.4	-62.1	-179.7	163.7	0	0	114.6	G394	E392-G394 VanDerWaalsContact C-N 3.26Å; E392-G394 PolarHBondContact O-N 3.01Å
393	D	88.4	Confident	91.8	Very high	99 Å²	99	56.9 Å²	56.9	53%	0.529	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	8.4	174.5	63	1.2	0	0	0	113.5	K367 E391 G395	K367-D393 WeakPolarHBondContact CE-OD1 3.24Å; K367-D393 VanDerWaalsContact CE-OD2 3.25Å; K367-D393 WeakPolarHBondContact CE-OD2 3.4Å; K367-D393 IonicContact NZ-OD1 3.24Å; K367-D393 PolarHBondContact NZ-OD1 3.37Å; K367-D393 IonicContact NZ-OD2 2.71Å; K367-D393 PolarHBondContact NZ-OD2 2.88Å; E391-D393 VanDerWaalsContact C-N 3.26Å; E391-D393 PolarHBondContact O-N 2.92Å; D393-G395 PolarHBondContact O-N 3.12Å; D393-G395 PolarHBondContact OD1-N 2.64Å
394	G	88.5	Confident	91.5	Very high	17 Å²	17	56.4 Å²	56.4	18%	0.175	28%	0.278	C	S	.	.	S	Bend	trans	75.1	-2.7	-175.4	0	0	0	0	0	114.9	E391 E392	E391-G394 WeakPolarHBondContact O-CA 3.42Å; E391-G394 PolarHBondContact O-N 2.95Å; E392-G394 VanDerWaalsContact C-N 3.26Å; E392-G394 PolarHBondContact O-N 3.01Å
395	G	92.1	Very high	91.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.305	C	S	.	.			trans	-69.3	172.3	174.2	0	0	0	0	0	112.6	L368 L390 E391 D393	L368-G395 CarbonylContact O-C 3.51Å; L368-G395 WeakPolarHBondContact O-CA 3.47Å; L390-G395 CarbonylContact C-O 3.57Å; L390-G395 WeakPolarHBondContact CA-O 3.28Å; E391-G395 PolarHBondContact N-O 3.42Å; D393-G395 PolarHBondContact O-N 3.12Å; D393-G395 PolarHBondContact OD1-N 2.64Å
396	C	95.1	Very high	90.9	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	152.7	175	65.9	0	0	0	0	112.1	K367 L368 I388 L390	K367-C396 CarbonylContact C-O 3.54Å; K367-C396 WeakPolarHBondContact CA-O 3.41Å; L368-C396 PolarHBondContact N-O 2.87Å; L368-C396 PolarHBondContact O-N 3.43Å; I388-C396 HydrophobicContact CG2-CB 3.63Å; L390-C396 HydrophobicContact CD2-CB 4.01Å
397	V	95.4	Very high	90.7	Very high	30 Å²	30	60.4 Å²	60.4	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127.2	178.1	-177.2	0	0	0	0	110	K340 P341 L365 E391	K340-V397 HydrophobicContact CD-CG1 4.32Å; P341-V397 WeakPolarHBondContact CD-O 3.37Å; L365-V397 HydrophobicContact CB-CG1 3.64Å; L365-V397 HydrophobicContact CD1-CG1 4.03Å; L365-V397 HydrophobicContact CG-CG1 4.49Å; E391-V397 HydrophobicContact CG-CG2 4.28Å
398	I	95.3	Very high	90.5	Very high	4 Å²	4	63.3 Å²	63.3	2%	0.021	31%	0.311	C	S	.	.			trans	-92.4	145.4	-177.5	-55.9	-53.3	0	0	0	111.1	L207 I303 P341 C343 P366 L368 G400	L207-I398 HydrophobicContact CD1-CG2 4.1Å; I303-I398 HydrophobicContact CD1-CD1 3.91Å; P341-I398 HydrophobicContact CB-CD1 4.5Å; P341-I398 HydrophobicContact CG-CD1 3.92Å; C343-I398 HydrophobicContact CB-CG2 3.54Å; P366-I398 HydrophobicContact CB-CB 4.42Å; P366-I398 PolarHBondContact O-N 3.25Å; L368-I398 HydrophobicContact CB-CD1 3.78Å; L368-I398 HydrophobicContact CB-CG1 3.85Å; L368-I398 HydrophobicContact CD2-CD1 4.27Å; I398-G400 PolarHBondContact O-N 3.46Å
399	G	87.8	Confident	90.3	Very high	12 Å²	12	63.5 Å²	63.5	12%	0.124	31%	0.312	C	S	.	.	S	Bend	trans	71.8	-116.9	172.4	0	0	0	0	0	111.6	R300 K340 P341	R300-G399 PolarHBondContact NH2-O 3.12Å; K340-G399 VanDerWaalsContact CB-O 3.28Å; K340-G399 WeakPolarHBondContact CB-O 3.28Å; P341-G399 PolarHBondContact O-N 2.81Å
400	G	83.9	Confident	90.2	Very high	5 Å²	5	58.2 Å²	58.2	5%	0.052	29%	0.291	C	S	.	.			trans	154.7	172.5	-177.3	0	0	0	0	0	113.2	A166 I398	A166-G400 VanDerWaalsContact CB-N 3.28Å; I398-G400 PolarHBondContact O-N 3.46Å
401	D	79.8	Confident	90.2	Very high	96 Å²	96	61.3 Å²	61.3	51%	0.513	30%	0.299	S	S	.	.	S	Bend	trans	-93.5	-18.4	-175.6	46	-54	0	0	0	112.8	K340 L365 S403	K340-D401 IonicContact NZ-OD1 2.76Å; K340-D401 PolarHBondContact NZ-OD1 3.15Å; L365-D401 HydrophobicContact CD1-CB 4.42Å; L365-D401 HydrophobicContact CD2-CB 4.43Å; D401-S403 VanDerWaalsContact C-N 3.29Å; D401-S403 PolarHBondContact O-N 3.43Å
402	R	86.8	Confident	90.4	Very high	72 Å²	72	58.3 Å²	58.3	27%	0.272	29%	0.286	S	S	.	.			trans	-77.2	64.9	179.8	-66.9	173.3	173.6	-99.3	-13	112.8	D164 R165 A166 D335	D164-R402 WeakPolarHBondContact O-CB 3.12Å; D164-R402 VanDerWaalsContact O-CD 3.25Å; D164-R402 WeakPolarHBondContact O-CD 3.15Å; D164-R402 IonicContact OD2-CZ 3.95Å; D164-R402 IonicContact OD2-NE 2.73Å; D164-R402 IonicContact OD2-NH1 2.83Å; D164-R402 PolarHBondContact OD2-NH1 3.06Å; R165-R402 WeakPolarHBondContact CA-O 3.26Å; R165-R402 VanDerWaalsContact CD-O 3.27Å; R165-R402 WeakPolarHBondContact CD-O 3.36Å; A166-R402 PolarHBondContact N-O 3.4Å; D335-R402 VanDerWaalsContact CB-NH2 3.3Å; D335-R402 IonicContact OD1-NH2 3.75Å; D335-R402 IonicContact OD2-CZ 3.78Å; D335-R402 IonicContact OD2-NE 3.89Å; D335-R402 PolarHBondContact OD2-NE 3.45Å; D335-R402 IonicContact OD2-NH2 3.81Å; D335-R402 PolarHBondContact OD2-NH2 3.36Å
403	S	88.4	Confident	90.6	Very high	43 Å²	43	48.3 Å²	48.3	30%	0.301	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-65.8	158.9	172.1	59.3	0	0	0	0	112.8	R165 A166 D401	R165-S403 PolarHBondContact NH1-O 2.97Å; R165-S403 VanDerWaalsContact NH1-O 3.12Å; A166-S403 VanDerWaalsContact O-CA 3.26Å; A166-S403 WeakPolarHBondContact O-CA 3.32Å; D401-S403 VanDerWaalsContact C-N 3.29Å; D401-S403 PolarHBondContact O-N 3.43Å
404	L	90.1	Very high	90.9	Very high	31 Å²	31	45.7 Å²	45.7	16%	0.162	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-92.6	125.6	169	-169.5	64.1	0	0	0	108.1	V228 Y408 L409	V228-L404 HydrophobicContact CB-CD2 4.34Å; V228-L404 HydrophobicContact CG1-CB 4.32Å; V228-L404 HydrophobicContact CG1-CD2 3.83Å; L404-Y408 HydrophobicContact CD1-CD1 3.74Å; L404-Y408 HydrophobicContact CD1-CE1 4.13Å; L404-Y408 HydrophobicContact CD2-CD1 4.21Å; L404-Y408 HydrophobicContact CD2-CE1 4.42Å; L404-Y408 HydrophobicContact CG-CD1 4.03Å; L404-L409 HydrophobicContact CD2-CD1 4.39Å; L404-L409 HydrophobicContact CD2-CD2 3.72Å; L404-L409 HydrophobicContact CD2-CG 3.86Å; L404-L409 HydrophobicContact CG-CG 4.14Å
405	Q	90	Very high	91.3	Very high	140 Å²	140	45 Å²	45	65%	0.654	22%	0.223	S	C	*	.	P	Polyproline II helix	trans	-67.4	133.9	-172.6	-65.5	-179.6	-5.7	0	0	112.1	K407 Y408 L409	Q405-K407 PolarHBondContact O-N 2.93Å; Q405-Y408 WeakPolarHBondContact O-CA 3.49Å; Q405-Y408 WeakPolarHBondContact O-CB 3.3Å; Q405-Y408 PolarHBondContact O-N 2.79Å; Q405-L409 PolarHBondContact O-N 3.17Å
406	D	88.9	Confident	91.6	Very high	55 Å²	55	45 Å²	45	29%	0.294	22%	0.223	S	C	.	.	H	α-helix	trans	-56.8	-35.8	177	-60.5	-83.3	0	0	0	112.9	Y408 L409 L410	D406-Y408 PolarHBondContact O-N 2.79Å; D406-L409 PolarHBondContact O-N 3.17Å; D406-L410 WeakPolarHBondContact O-CB 3.42Å; D406-L410 VanDerWaalsContact O-CG 3.27Å; D406-L410 WeakPolarHBondContact O-CG 3.35Å; D406-L410 PolarHBondContact O-N 3.28Å
407	K	91.1	Very high	91.6	Very high	169 Å²	169	46.7 Å²	46.7	74%	0.735	23%	0.231	S	C	*	.	H	α-helix	trans	-62.4	-29.1	174.6	-172.6	175.3	-179.3	178.7	0	112.9	Q405 R411	Q405-K407 PolarHBondContact O-N 2.93Å; K407-R411 WeakPolarHBondContact O-CG 3.4Å
408	Y	92.6	Very high	91.7	Very high	75 Å²	75	50 Å²	50	29%	0.294	25%	0.245	S	C	.	.	H	α-helix	trans	-80.2	-45.7	172.3	176.4	-94.7	0	0	0	111.1	M138 L404 Q405 D406 L410 R411 L412	M138-Y408 HydrophobicContact CE-CD2 3.68Å; M138-Y408 HydrophobicContact CE-CE2 3.28Å; L404-Y408 HydrophobicContact CD1-CD1 3.74Å; L404-Y408 HydrophobicContact CD1-CE1 4.13Å; L404-Y408 HydrophobicContact CD2-CD1 4.21Å; L404-Y408 HydrophobicContact CD2-CE1 4.42Å; L404-Y408 HydrophobicContact CG-CD1 4.03Å; Q405-Y408 WeakPolarHBondContact O-CA 3.49Å; Q405-Y408 WeakPolarHBondContact O-CB 3.3Å; Q405-Y408 PolarHBondContact O-N 2.79Å; D406-Y408 PolarHBondContact O-N 2.79Å; Y408-L410 VanDerWaalsContact C-N 3.35Å; Y408-L410 PolarHBondContact O-N 3.41Å; Y408-R411 PolarHBondContact O-N 2.84Å; Y408-L412 HydrophobicContact CE1-CB 4.46Å; Y408-L412 HydrophobicContact CE1-CD2 4.09Å; Y408-L412 WeakPolarHBondContact O-CB 3.42Å; Y408-L412 PolarHBondContact O-N 3.34Å
409	L	92.3	Very high	91.8	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-56.8	-44.6	176.6	-83.3	168	0	0	0	112.6	L232 L404 Q405 D406 R411 L412 V413	L232-L409 HydrophobicContact CD1-CD2 3.85Å; L404-L409 HydrophobicContact CD2-CD1 4.39Å; L404-L409 HydrophobicContact CD2-CD2 3.72Å; L404-L409 HydrophobicContact CD2-CG 3.86Å; L404-L409 HydrophobicContact CG-CG 4.14Å; Q405-L409 PolarHBondContact O-N 3.17Å; D406-L409 PolarHBondContact O-N 3.17Å; L409-R411 PolarHBondContact O-N 3.48Å; L409-L412 PolarHBondContact O-N 2.84Å; L409-V413 WeakPolarHBondContact O-CB 3.28Å; L409-V413 WeakPolarHBondContact O-CG2 3.26Å; L409-V413 PolarHBondContact O-N 3.49Å
410	L	92.3	Very high	92.2	Very high	40 Å²	40	50.3 Å²	50.3	21%	0.209	24%	0.244	C	C	.	.	H	α-helix	trans	-67.5	-33.9	178.8	-69.7	169.2	0	0	0	112.8	M119 L121 D406 Y408 A414	M119-L410 HydrophobicContact CE-CD1 4.37Å; M119-L410 WeakPolarHBondContact O-CD2 3.28Å; L121-L410 HydrophobicContact CD1-CD2 3.99Å; L121-L410 HydrophobicContact CG-CD2 4.18Å; D406-L410 WeakPolarHBondContact O-CB 3.42Å; D406-L410 VanDerWaalsContact O-CG 3.27Å; D406-L410 WeakPolarHBondContact O-CG 3.35Å; D406-L410 PolarHBondContact O-N 3.28Å; Y408-L410 VanDerWaalsContact C-N 3.35Å; Y408-L410 PolarHBondContact O-N 3.41Å; L410-A414 WeakPolarHBondContact O-CB 3.13Å; L410-A414 PolarHBondContact O-N 3.35Å; L410-A414 VanDerWaalsContact O-N 3.1Å
411	R	94.5	Very high	92.8	Very high	110 Å²	110	52.7 Å²	52.7	42%	0.415	26%	0.255	S	S	.	.	H	α-helix	trans	-69.3	-45.1	171.8	-78.1	-179.7	64.7	-166.4	2.1	111.5	M138 K407 Y408 L409 V413 A414 A415	M138-R411 HydrophobicContact CE-CB 3.92Å; M138-R411 HydrophobicContact SD-CB 3.72Å; K407-R411 WeakPolarHBondContact O-CG 3.4Å; Y408-R411 PolarHBondContact O-N 2.84Å; L409-R411 PolarHBondContact O-N 3.48Å; R411-V413 VanDerWaalsContact C-N 3.33Å; R411-V413 PolarHBondContact O-N 2.69Å; R411-A414 PolarHBondContact O-N 2.77Å; R411-A415 PolarHBondContact O-N 3.07Å
412	L	95	Very high	93.5	Very high	8 Å²	8	55 Å²	55	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-59.4	-45.7	177.5	176.8	62.2	0	0	0	110.5	L133 M138 F233 Y408 L409 A415 M416	L133-L412 HydrophobicContact CD2-CD1 3.78Å; L133-L412 HydrophobicContact CD2-CD2 3.97Å; L133-L412 HydrophobicContact CD2-CG 3.83Å; M138-L412 HydrophobicContact CB-CD1 3.73Å; M138-L412 HydrophobicContact CE-CB 4.11Å; F233-L412 HydrophobicContact CZ-CD2 4.37Å; Y408-L412 HydrophobicContact CE1-CB 4.46Å; Y408-L412 HydrophobicContact CE1-CD2 4.09Å; Y408-L412 WeakPolarHBondContact O-CB 3.42Å; Y408-L412 PolarHBondContact O-N 3.34Å; L409-L412 PolarHBondContact O-N 2.84Å; L412-A415 PolarHBondContact O-N 3.43Å; L412-M416 HydrophobicContact CD1-CE 4.06Å; L412-M416 VanDerWaalsContact O-CG 3.29Å; L412-M416 WeakPolarHBondContact O-CG 3.31Å; L412-M416 PolarHBondContact O-N 2.89Å; L412-M416 VanDerWaalsContact O-N 3.13Å
413	V	95.3	Very high	93.9	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-49	176.4	164.8	0	0	0	0	111.6	L121 L129 L232 L409 R411 A415 M416 E417	L121-V413 HydrophobicContact CD1-CB 4.35Å; L121-V413 HydrophobicContact CD1-CG1 4.3Å; L121-V413 HydrophobicContact CD1-CG2 3.91Å; L121-V413 HydrophobicContact CD2-CG1 3.67Å; L129-V413 HydrophobicContact CD1-CB 4.47Å; L129-V413 HydrophobicContact CD1-CG1 3.64Å; L129-V413 HydrophobicContact CD1-CG2 4.47Å; L232-V413 HydrophobicContact CD1-CG2 3.85Å; L232-V413 HydrophobicContact CD2-CG2 3.91Å; L409-V413 WeakPolarHBondContact O-CB 3.28Å; L409-V413 WeakPolarHBondContact O-CG2 3.26Å; L409-V413 PolarHBondContact O-N 3.49Å; R411-V413 VanDerWaalsContact C-N 3.33Å; R411-V413 PolarHBondContact O-N 2.69Å; V413-A415 VanDerWaalsContact C-N 3.28Å; V413-A415 PolarHBondContact O-N 3.35Å; V413-M416 CarbonylContact O-C 3.58Å; V413-M416 WeakPolarHBondContact O-CA 3.48Å; V413-M416 PolarHBondContact O-N 3.2Å; V413-E417 HydrophobicContact CG1-CG 4.11Å; V413-E417 WeakPolarHBondContact O-CG 3.49Å; V413-E417 PolarHBondContact O-N 2.88Å
414	A	94.9	Very high	94.2	Very high	43 Å²	43	57.9 Å²	57.9	36%	0.355	28%	0.276	S	S	.	.	H	α-helix	trans	-56.2	-41.7	178	0	0	0	0	0	112.6	L410 R411 M416 E417 E418	L410-A414 WeakPolarHBondContact O-CB 3.13Å; L410-A414 PolarHBondContact O-N 3.35Å; L410-A414 VanDerWaalsContact O-N 3.1Å; R411-A414 PolarHBondContact O-N 2.77Å; A414-M416 VanDerWaalsContact C-N 3.29Å; A414-M416 PolarHBondContact O-N 2.86Å; A414-E417 WeakPolarHBondContact CA-OE2 3.41Å; A414-E417 WeakPolarHBondContact O-CB 3.41Å; A414-E417 PolarHBondContact O-N 2.81Å; A414-E418 PolarHBondContact O-N 2.68Å
415	A	96.6	Very high	94.4	Very high	2 Å²	2	58.1 Å²	58.1	2%	0.017	29%	0.287	C	S	.	.	H	α-helix	trans	-63.1	-32.2	174.6	0	0	0	0	0	113.1	M138 A145 R411 L412 V413 V419	M138-A415 HydrophobicContact CB-CB 4.43Å; M138-A415 HydrophobicContact CG-CB 4.29Å; M138-A415 HydrophobicContact SD-CB 4.42Å; A145-A415 HydrophobicContact CB-CB 4.08Å; A145-A415 VanDerWaalsContact CB-O 3.3Å; A145-A415 WeakPolarHBondContact CB-O 3.47Å; R411-A415 PolarHBondContact O-N 3.07Å; L412-A415 PolarHBondContact O-N 3.43Å; V413-A415 VanDerWaalsContact C-N 3.28Å; V413-A415 PolarHBondContact O-N 3.35Å; A415-V419 PolarHBondContact O-N 2.77Å
416	M	97.3	Very high	94.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-80.8	-27.6	174.6	-59.1	-62.2	123.5	0	0	112.8	L129 I132 L133 G137 A145 L412 V413 A414 E418 V419 F420	L129-M416 HydrophobicContact CD2-CB 4.04Å; I132-M416 HydrophobicContact CB-SD 4.42Å; I132-M416 HydrophobicContact CG2-CB 4.49Å; I132-M416 HydrophobicContact CG2-SD 3.7Å; L133-M416 HydrophobicContact CD2-CE 4.38Å; L133-M416 HydrophobicContact CD2-CG 3.53Å; L133-M416 HydrophobicContact CD2-SD 3.82Å; L133-M416 HydrophobicContact CG-CG 3.78Å; L133-M416 HydrophobicContact CG-SD 4.16Å; G137-M416 WeakPolarHBondContact O-CE 3.46Å; A145-M416 HydrophobicContact CB-CE 3.69Å; L412-M416 HydrophobicContact CD1-CE 4.06Å; L412-M416 VanDerWaalsContact O-CG 3.29Å; L412-M416 WeakPolarHBondContact O-CG 3.31Å; L412-M416 PolarHBondContact O-N 2.89Å; L412-M416 VanDerWaalsContact O-N 3.13Å; V413-M416 CarbonylContact O-C 3.58Å; V413-M416 WeakPolarHBondContact O-CA 3.48Å; V413-M416 PolarHBondContact O-N 3.2Å; A414-M416 VanDerWaalsContact C-N 3.29Å; A414-M416 PolarHBondContact O-N 2.86Å; M416-E418 VanDerWaalsContact C-N 3.35Å; M416-V419 PolarHBondContact O-N 2.95Å; M416-F420 WeakPolarHBondContact O-CB 3.45Å; M416-F420 PolarHBondContact O-N 2.79Å
417	E	96.4	Very high	95	Very high	36 Å²	36	50.8 Å²	50.8	17%	0.168	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-39.5	170.8	-68.5	178.8	121.6	0	0	110.9	H125 L129 V413 A414 F420 M421 H427 P428	H125-E417 IonicContact CD2-OE1 3.95Å; H125-E417 IonicContact CE1-OE1 3.37Å; H125-E417 PolarHBondContact CE1-OE1 2.69Å; H125-E417 IonicContact NE2-OE1 3.69Å; H125-E417 PolarHBondContact NE2-OE1 3.48Å; L129-E417 HydrophobicContact CD1-CG 3.95Å; L129-E417 HydrophobicContact CD2-CG 4.33Å; V413-E417 HydrophobicContact CG1-CG 4.11Å; V413-E417 WeakPolarHBondContact O-CG 3.49Å; V413-E417 PolarHBondContact O-N 2.88Å; A414-E417 WeakPolarHBondContact CA-OE2 3.41Å; A414-E417 WeakPolarHBondContact O-CB 3.41Å; A414-E417 PolarHBondContact O-N 2.81Å; E417-F420 PolarHBondContact O-N 3.17Å; E417-M421 VanDerWaalsContact O-CB 3.3Å; E417-M421 WeakPolarHBondContact O-CB 3.33Å; E417-M421 PolarHBondContact O-N 3.46Å; E417-H427 IonicContact OE1-CE1 2.64Å; E417-H427 PolarHBondContact OE1-CE1 3.31Å; E417-H427 IonicContact OE1-NE2 2.69Å; E417-P428 HydrophobicContact CB-CG 4.39Å; E417-P428 HydrophobicContact CG-CG 3.87Å
418	E	96.2	Very high	95.2	Very high	101 Å²	101	42.7 Å²	42.7	47%	0.472	22%	0.216	S	C	.	.	H	α-helix	trans	-56.3	-53.4	169.5	-69.2	176.7	169.9	0	0	111.2	A414 M416 F420 M421 D422	A414-E418 PolarHBondContact O-N 2.68Å; M416-E418 VanDerWaalsContact C-N 3.35Å; E418-F420 PolarHBondContact O-N 2.84Å; E418-M421 WeakPolarHBondContact O-CB 3.48Å; E418-M421 PolarHBondContact O-N 3.16Å; E418-D422 PolarHBondContact O-N 2.85Å
419	V	97.3	Very high	95.2	Very high	16 Å²	16	40.8 Å²	40.8	10%	0.097	21%	0.213	C	C	.	.	H	α-helix	trans	-65.4	-36.1	-179.8	176	0	0	0	0	112.7	I132 Y136 A145 A415 M416 K423	I132-V419 HydrophobicContact CG2-CB 3.93Å; I132-V419 HydrophobicContact CG2-CG1 3.54Å; Y136-V419 HydrophobicContact CD1-CG1 4.07Å; Y136-V419 HydrophobicContact CD1-CG2 3.98Å; Y136-V419 HydrophobicContact CD2-CG1 4.2Å; Y136-V419 HydrophobicContact CE1-CG1 3.76Å; Y136-V419 HydrophobicContact CE1-CG2 4.07Å; Y136-V419 HydrophobicContact CE2-CG1 3.92Å; Y136-V419 HydrophobicContact CG-CG1 4.28Å; A145-V419 HydrophobicContact CB-CG2 3.34Å; A415-V419 PolarHBondContact O-N 2.77Å; M416-V419 PolarHBondContact O-N 2.95Å; V419-K423 WeakPolarHBondContact O-CB 3.44Å; V419-K423 PolarHBondContact O-N 2.94Å
420	F	97.2	Very high	95.2	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-65	-43.3	174.5	-170.5	-77	0	0	0	110.5	L128 L129 I132 M416 E417 E418 K423 H424 I426 P428 V431 T453	L128-F420 HydrophobicContact CB-CE2 4.01Å; L128-F420 HydrophobicContact CB-CZ 4.4Å; L128-F420 HydrophobicContact CD2-CE2 4.34Å; L128-F420 HydrophobicContact CD2-CZ 4.16Å; L128-F420 WeakPolarHBondContact O-CD2 3.44Å; L128-F420 WeakPolarHBondContact O-CE2 3.23Å; L129-F420 HydrophobicContact CD2-CB 3.98Å; L129-F420 HydrophobicContact CD2-CD2 4.24Å; L129-F420 HydrophobicContact CD2-CG 4.34Å; I132-F420 HydrophobicContact CG1-CD2 4.27Å; M416-F420 WeakPolarHBondContact O-CB 3.45Å; M416-F420 PolarHBondContact O-N 2.79Å; E417-F420 PolarHBondContact O-N 3.17Å; E418-F420 PolarHBondContact O-N 2.84Å; F420-K423 PolarHBondContact O-N 3.28Å; F420-H424 HydrophobicContact CD1-CB 4.27Å; F420-H424 AromaticContact CD2-CD2 4Å; F420-H424 HydrophobicContact CE1-CB 4.06Å; F420-H424 WeakPolarHBondContact O-CB 3.44Å; F420-H424 PolarHBondContact O-CD2 2.81Å; F420-H424 PolarHBondContact O-N 3.33Å; F420-I426 VanDerWaalsContact CD1-O 3.25Å; F420-I426 WeakPolarHBondContact CD1-O 3.42Å; F420-I426 HydrophobicContact CE1-CG2 4.48Å; F420-I426 WeakPolarHBondContact CE1-O 3.43Å; F420-P428 HydrophobicContact CD1-CB 4.14Å; F420-P428 HydrophobicContact CD1-CG 4.23Å; F420-P428 HydrophobicContact CE1-CB 4.16Å; F420-P428 HydrophobicContact CG-CB 4.44Å; F420-P428 HydrophobicContact CG-CG 4.41Å; F420-P428 HydrophobicContact CZ-CB 4.48Å; F420-V431 HydrophobicContact CE1-CG2 4.28Å; F420-T453 HydrophobicContact CE1-CG2 4.18Å; F420-T453 HydrophobicContact CZ-CG2 3.77Å
421	M	95.6	Very high	95.3	Very high	55 Å²	55	38.7 Å²	38.7	27%	0.271	20%	0.202	S	C	.	.	H	α-helix	trans	-62.3	-45.6	175.8	-176.4	63.9	-169.2	0	0	111.7	E417 E418 G425 H427 D551	E417-M421 VanDerWaalsContact O-CB 3.3Å; E417-M421 WeakPolarHBondContact O-CB 3.33Å; E417-M421 PolarHBondContact O-N 3.46Å; E418-M421 WeakPolarHBondContact O-CB 3.48Å; E418-M421 PolarHBondContact O-N 3.16Å; M421-G425 WeakPolarHBondContact O-CA 3.48Å; M421-G425 PolarHBondContact O-N 3.27Å; M421-H427 HydrophobicContact SD-CB 4.25Å; M421-H427 PolarHBondContact SD-N 3.43Å; M421-D551 HydrophobicContact CE-CB 4.09Å
422	D	95.6	Very high	95.2	Very high	144 Å²	144	33.6 Å²	33.6	77%	0.77	18%	0.183	S	C	*	.	H	α-helix	trans	-62.1	-44.9	176.8	-76.8	-16.3	0	0	0	112.2	E418	E418-D422 PolarHBondContact O-N 2.85Å
423	K	95.1	Very high	94.9	Very high	127 Å²	127	33.9 Å²	33.9	55%	0.552	19%	0.185	S	C	*	.	H	α-helix	trans	-74.7	-39.3	-176.1	-177	-176.3	172.2	-158.2	0	112.9	I132 V419 F420	I132-K423 HydrophobicContact CD1-CD 3.92Å; V419-K423 WeakPolarHBondContact O-CB 3.44Å; V419-K423 PolarHBondContact O-N 2.94Å; F420-K423 PolarHBondContact O-N 3.28Å
424	H	94.5	Very high	94.7	Very high	48 Å²	48	33.9 Å²	33.9	22%	0.222	19%	0.185	C	C	.	.	H	α-helix	trans	-103.5	-21.6	-173.2	-64.7	-91.4	0	0	0	113.3	F420 I426 T453 K457	F420-H424 HydrophobicContact CD1-CB 4.27Å; F420-H424 AromaticContact CD2-CD2 4Å; F420-H424 HydrophobicContact CE1-CB 4.06Å; F420-H424 WeakPolarHBondContact O-CB 3.44Å; F420-H424 PolarHBondContact O-CD2 2.81Å; F420-H424 PolarHBondContact O-N 3.33Å; H424-I426 VanDerWaalsContact C-N 3.27Å; H424-I426 HydrophobicContact CB-CG2 4.13Å; H424-T453 HydrophobicContact CB-CG2 4.14Å; H424-K457 WeakPolarHBondContact O-CD 3.49Å; H424-K457 WeakPolarHBondContact O-CE 3.41Å; H424-K457 PolarHBondContact O-NZ 3.35Å
425	G	94.1	Very high	94.5	Very high	37 Å²	37	32.4 Å²	32.4	38%	0.381	17%	0.171	S	C	.	.	S	Bend	trans	74.9	15.1	-175.6	0	0	0	0	0	114	M421	M421-G425 WeakPolarHBondContact O-CA 3.48Å; M421-G425 PolarHBondContact O-N 3.27Å
426	I	95.9	Very high	93.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-149.1	139.8	-179.6	-171.9	167.9	0	0	0	110.3	F420 H424 L430 V431 T453 A456 K457 V460 G550	F420-I426 VanDerWaalsContact CD1-O 3.25Å; F420-I426 WeakPolarHBondContact CD1-O 3.42Å; F420-I426 HydrophobicContact CE1-CG2 4.48Å; F420-I426 WeakPolarHBondContact CE1-O 3.43Å; H424-I426 VanDerWaalsContact C-N 3.27Å; H424-I426 HydrophobicContact CB-CG2 4.13Å; I426-L430 HydrophobicContact CD1-CD2 4Å; I426-L430 HydrophobicContact CD1-CG 4.19Å; I426-L430 HydrophobicContact CG1-CB 4.34Å; I426-L430 HydrophobicContact CG1-CD2 4.08Å; I426-L430 HydrophobicContact CG1-CG 4.42Å; I426-V431 HydrophobicContact CD1-CG2 4.2Å; I426-V431 HydrophobicContact CG1-CG2 4.22Å; I426-V431 HydrophobicContact CG2-CG2 3.99Å; I426-T453 HydrophobicContact CG2-CG2 4.21Å; I426-A456 VanDerWaalsContact CD1-C 3.43Å; I426-A456 HydrophobicContact CD1-CB 3.52Å; I426-K457 HydrophobicContact CG2-CB 4.22Å; I426-V460 HydrophobicContact CD1-CG2 3.76Å; I426-V460 HydrophobicContact CG1-CG2 4.46Å; I426-G550 CarbonylContact C-O 3.51Å; I426-G550 WeakPolarHBondContact CA-O 3.16Å
427	H	95.6	Very high	93.3	Very high	40 Å²	40	33.2 Å²	33.2	19%	0.185	17%	0.174	C	C	.	.			trans	-78.8	137.7	-177.7	-165.9	-92.5	0	0	0	111.3	E417 M421 S429 L430 V431 G550	E417-H427 IonicContact OE1-CE1 2.64Å; E417-H427 PolarHBondContact OE1-CE1 3.31Å; E417-H427 IonicContact OE1-NE2 2.69Å; M421-H427 HydrophobicContact SD-CB 4.25Å; M421-H427 PolarHBondContact SD-N 3.43Å; H427-S429 PolarHBondContact ND1-N 2.93Å; H427-S429 PolarHBondContact ND1-OG 2.81Å; H427-S429 PolarHBondContact O-N 2.93Å; H427-S429 VanDerWaalsContact O-N 3.13Å; H427-L430 PolarHBondContact O-N 3.46Å; H427-V431 PolarHBondContact O-N 2.86Å; H427-G550 PolarHBondContact N-O 2.91Å
428	P	95.2	Very high	92.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.2	-26.7	-173.9	22.5	-33.2	0	0	0	113.3	L128 L129 E417 F420 L430 V431 A432	L128-P428 HydrophobicContact CB-CB 4.17Å; L128-P428 HydrophobicContact CD1-CB 3.74Å; L128-P428 WeakPolarHBondContact CD1-O 3.16Å; L129-P428 HydrophobicContact CD2-CG 4.14Å; E417-P428 HydrophobicContact CB-CG 4.39Å; E417-P428 HydrophobicContact CG-CG 3.87Å; F420-P428 HydrophobicContact CD1-CB 4.14Å; F420-P428 HydrophobicContact CD1-CG 4.23Å; F420-P428 HydrophobicContact CE1-CB 4.16Å; F420-P428 HydrophobicContact CG-CB 4.44Å; F420-P428 HydrophobicContact CG-CG 4.41Å; F420-P428 HydrophobicContact CZ-CB 4.48Å; P428-L430 VanDerWaalsContact C-N 3.32Å; P428-L430 PolarHBondContact O-N 2.92Å; P428-V431 PolarHBondContact O-N 3.08Å; P428-A432 PolarHBondContact O-N 2.89Å
429	S	91.6	Very high	92	Very high	35 Å²	35	31.6 Å²	31.6	25%	0.245	16%	0.163	C	C	.	.	H	α-helix	trans	-66	-31.2	174	68	0	0	0	0	113.3	H427 D433	H427-S429 PolarHBondContact ND1-N 2.93Å; H427-S429 PolarHBondContact ND1-OG 2.81Å; H427-S429 PolarHBondContact O-N 2.93Å; H427-S429 VanDerWaalsContact O-N 3.13Å; S429-D433 PolarHBondContact O-N 3.03Å
430	L	93.4	Very high	90.7	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-76.2	-34.1	174.7	-177.3	57.8	0	0	0	111.1	I426 H427 P428 A432 D433 V434 V460 L465 L474 V548 R549	I426-L430 HydrophobicContact CD1-CD2 4Å; I426-L430 HydrophobicContact CD1-CG 4.19Å; I426-L430 HydrophobicContact CG1-CB 4.34Å; I426-L430 HydrophobicContact CG1-CD2 4.08Å; I426-L430 HydrophobicContact CG1-CG 4.42Å; H427-L430 PolarHBondContact O-N 3.46Å; P428-L430 VanDerWaalsContact C-N 3.32Å; P428-L430 PolarHBondContact O-N 2.92Å; L430-A432 VanDerWaalsContact C-N 3.32Å; L430-D433 PolarHBondContact O-N 2.97Å; L430-V434 WeakPolarHBondContact O-CG2 3.02Å; L430-V434 PolarHBondContact O-N 3.46Å; L430-V460 HydrophobicContact CD2-CG2 3.74Å; L430-L465 HydrophobicContact CD1-CD1 4.34Å; L430-L465 HydrophobicContact CD2-CD1 4.36Å; L430-L465 HydrophobicContact CG-CD1 4.44Å; L430-L474 HydrophobicContact CD1-CD1 4.09Å; L430-L474 HydrophobicContact CD1-CD2 4.17Å; L430-V548 HydrophobicContact CD1-CG1 4.08Å; L430-V548 HydrophobicContact CD2-CG1 4.04Å; L430-R549 WeakPolarHBondContact CD2-O 3.4Å
431	V	94.9	Very high	88.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-39.9	170.3	-176.4	0	0	0	0	110.9	L128 F420 I426 H427 P428 V434 H435 V452 T453 A456	L128-V431 HydrophobicContact CD1-CB 3.93Å; L128-V431 HydrophobicContact CD1-CG1 3.99Å; L128-V431 HydrophobicContact CD2-CG1 3.89Å; F420-V431 HydrophobicContact CE1-CG2 4.28Å; I426-V431 HydrophobicContact CD1-CG2 4.2Å; I426-V431 HydrophobicContact CG1-CG2 4.22Å; I426-V431 HydrophobicContact CG2-CG2 3.99Å; H427-V431 PolarHBondContact O-N 2.86Å; P428-V431 PolarHBondContact O-N 3.08Å; V431-V434 PolarHBondContact O-N 3.47Å; V431-H435 PolarHBondContact O-N 3.02Å; V431-V452 HydrophobicContact CG1-CB 4.34Å; V431-V452 HydrophobicContact CG1-CG1 3.94Å; V431-T453 HydrophobicContact CG2-CG2 4.34Å; V431-A456 HydrophobicContact CG2-CB 4.2Å
432	A	91.6	Very high	86.9	Confident	2 Å²	2	44.3 Å²	44.3	2%	0.017	22%	0.218	C	C	.	.	H	α-helix	trans	-66.1	-39.8	174.5	0	0	0	0	0	113	L115 Y124 P428 L430 H435 Q436	L115-A432 HydrophobicContact CD2-CB 4.38Å; Y124-A432 HydrophobicContact CD1-CB 3.92Å; Y124-A432 HydrophobicContact CE1-CB 4.33Å; P428-A432 PolarHBondContact O-N 2.89Å; L430-A432 VanDerWaalsContact C-N 3.32Å; A432-H435 PolarHBondContact O-N 3.42Å; A432-Q436 PolarHBondContact O-N 3Å
433	D	89.3	Confident	84.8	Confident	14 Å²	14	40.2 Å²	40.2	8%	0.075	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-44.6	171.1	-80.3	4.2	0	0	0	110.7	S429 L430 H435 Q436 Y437 K467 L474	S429-D433 PolarHBondContact O-N 3.03Å; L430-D433 PolarHBondContact O-N 2.97Å; D433-H435 VanDerWaalsContact C-N 3.33Å; D433-H435 PolarHBondContact O-N 3.38Å; D433-Q436 WeakPolarHBondContact O-CB 3.43Å; D433-Q436 PolarHBondContact O-N 2.76Å; D433-Q436 VanDerWaalsContact O-N 3.15Å; D433-Y437 HydrophobicContact CB-CD2 4.28Å; D433-Y437 HydrophobicContact CB-CE2 4.39Å; D433-Y437 WeakPolarHBondContact O-CD2 3.48Å; D433-Y437 PolarHBondContact O-N 3.2Å; D433-K467 IonicContact OD2-NZ 2.73Å; D433-K467 PolarHBondContact OD2-NZ 3.27Å; D433-L474 HydrophobicContact CB-CD2 4.21Å
434	V	91.2	Very high	82.8	Confident	3 Å²	3	38 Å²	38	2%	0.018	21%	0.206	C	C	.	.	H	α-helix	trans	-59.1	-41.3	175.8	164.8	0	0	0	0	112.1	L430 V431 F438 Y439 V452 A456 L465 L474	L430-V434 WeakPolarHBondContact O-CG2 3.02Å; L430-V434 PolarHBondContact O-N 3.46Å; V431-V434 PolarHBondContact O-N 3.47Å; V434-F438 HydrophobicContact CB-CD2 4.45Å; V434-F438 HydrophobicContact CG1-CD2 3.99Å; V434-F438 HydrophobicContact CG1-CE2 4.49Å; V434-F438 HydrophobicContact CG2-CD2 4.41Å; V434-F438 HydrophobicContact CG2-CE2 4.1Å; V434-F438 PolarHBondContact O-N 3.24Å; V434-F438 VanDerWaalsContact O-N 3.09Å; V434-Y439 HydrophobicContact CG1-CD2 4.15Å; V434-Y439 HydrophobicContact CG1-CE2 4.02Å; V434-V452 HydrophobicContact CG1-CG1 3.93Å; V434-A456 HydrophobicContact CB-CB 4.01Å; V434-A456 HydrophobicContact CG1-CB 3.93Å; V434-A456 HydrophobicContact CG2-CB 3.81Å; V434-L465 HydrophobicContact CG2-CD1 3.94Å; V434-L465 HydrophobicContact CG2-CD2 4.48Å; V434-L474 HydrophobicContact CB-CD2 4.44Å; V434-L474 HydrophobicContact CG2-CD2 3.53Å
435	H	89.2	Confident	80.8	Confident	11 Å²	11	42.6 Å²	42.6	5%	0.051	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-47.1	173.2	-175.7	-131	0	0	0	111.8	E114 Y124 V431 A432 D433 R440 V452	E114-H435 IonicContact OE1-CE1 3.87Å; E114-H435 PolarHBondContact OE1-CE1 3.45Å; E114-H435 IonicContact OE2-CE1 4Å; Y124-H435 AromaticContact CD2-CE1 3.73Å; Y124-H435 AromaticContact CD2-ND1 3.45Å; Y124-H435 WeakPolarHBondContact CD2-ND1 3.48Å; Y124-H435 HydrophobicContact CE1-CB 3.82Å; Y124-H435 HydrophobicContact CE2-CB 4.27Å; Y124-H435 AromaticContact CE2-CE1 3.56Å; Y124-H435 AromaticContact CE2-CG 3.65Å; Y124-H435 AromaticContact CE2-ND1 3.29Å; Y124-H435 VanDerWaalsContact CE2-ND1 3.29Å; Y124-H435 WeakPolarHBondContact CE2-ND1 3.45Å; Y124-H435 AromaticContact CG-ND1 3.94Å; Y124-H435 AromaticContact CZ-CG 3.58Å; Y124-H435 AromaticContact CZ-ND1 3.66Å; V431-H435 PolarHBondContact O-N 3.02Å; A432-H435 PolarHBondContact O-N 3.42Å; D433-H435 VanDerWaalsContact C-N 3.33Å; D433-H435 PolarHBondContact O-N 3.38Å; H435-R440 PolarHBondContact O-N 3.23Å; H435-R440 VanDerWaalsContact O-N 3.17Å; H435-V452 HydrophobicContact CB-CG1 4.08Å
436	Q	84.9	Confident	79.4	Confident	7 Å²	7	43.7 Å²	43.7	3%	0.033	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-48.7	179.9	-172.6	-174.8	-21.7	0	0	112.1	P109 L115 A432 D433	P109-Q436 HydrophobicContact CG-CG 4.2Å; P109-Q436 PolarHBondContact O-NE2 2.91Å; L115-Q436 HydrophobicContact CD1-CB 3.62Å; L115-Q436 HydrophobicContact CD1-CG 3.75Å; A432-Q436 PolarHBondContact O-N 3Å; D433-Q436 WeakPolarHBondContact O-CB 3.43Å; D433-Q436 PolarHBondContact O-N 2.76Å; D433-Q436 VanDerWaalsContact O-N 3.15Å
437	Y	84.2	Confident	78.5	Confident	12 Å²	12	44.9 Å²	44.9	5%	0.047	25%	0.25	C	C	.	.	H	α-helix	trans	-88.5	-31.7	-166.9	-70.4	-70.2	0	0	0	114	A108 P109 D433 A473 L474 W539	A108-Y437 HydrophobicContact CB-CE1 3.99Å; P109-Y437 HydrophobicContact CG-CD1 4.08Å; P109-Y437 HydrophobicContact CG-CE1 4.32Å; D433-Y437 HydrophobicContact CB-CD2 4.28Å; D433-Y437 HydrophobicContact CB-CE2 4.39Å; D433-Y437 WeakPolarHBondContact O-CD2 3.48Å; D433-Y437 PolarHBondContact O-N 3.2Å; Y437-A473 HydrophobicContact CD1-CB 4.21Å; Y437-A473 HydrophobicContact CE1-CB 3.55Å; Y437-L474 HydrophobicContact CD2-CB 3.4Å; Y437-L474 HydrophobicContact CE2-CB 4.05Å; Y437-L474 HydrophobicContact CG-CB 3.9Å; Y437-W539 HydrophobicContact CD1-CD2 4.46Å; Y437-W539 AromaticContact CD1-CE2 3.67Å; Y437-W539 HydrophobicContact CD1-CH2 4.49Å; Y437-W539 AromaticContact CD1-CZ2 3.71Å; Y437-W539 HydrophobicContact CD1-CZ2 3.71Å; Y437-W539 AromaticContact CD1-NE1 3.66Å; Y437-W539 HydrophobicContact CG-CZ2 4.42Å; Y437-W539 VanDerWaalsContact O-CZ2 3.31Å; Y437-W539 WeakPolarHBondContact O-CZ2 3.5Å
438	F	84.9	Confident	77.9	Confident	41 Å²	41	46.2 Å²	46.2	18%	0.18	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-55	-174.4	-47.5	-34.9	0	0	0	112.4	V434 R441 L465 L474 E476	V434-F438 HydrophobicContact CB-CD2 4.45Å; V434-F438 HydrophobicContact CG1-CD2 3.99Å; V434-F438 HydrophobicContact CG1-CE2 4.49Å; V434-F438 HydrophobicContact CG2-CD2 4.41Å; V434-F438 HydrophobicContact CG2-CE2 4.1Å; V434-F438 PolarHBondContact O-N 3.24Å; V434-F438 VanDerWaalsContact O-N 3.09Å; F438-R441 PolarHBondContact O-N 2.75Å; F438-L465 HydrophobicContact CE2-CD2 3.61Å; F438-L465 HydrophobicContact CZ-CD2 4.09Å; F438-L474 HydrophobicContact CE2-CD2 3.81Å; F438-L474 HydrophobicContact CE2-CG 4.36Å; F438-L474 HydrophobicContact CZ-CB 4.26Å; F438-L474 HydrophobicContact CZ-CD2 3.78Å; F438-L474 HydrophobicContact CZ-CG 3.84Å; F438-E476 HydrophobicContact CE1-CB 4Å; F438-E476 HydrophobicContact CE2-CB 3.96Å; F438-E476 HydrophobicContact CZ-CB 3.64Å
439	Y	79.9	Confident	77.5	Confident	63 Å²	63	47.1 Å²	47.1	25%	0.247	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-70.9	-40.9	-172.4	-76.4	-84.7	0	0	0	113.9	V434 R441 T442 V447 V452 A455	V434-Y439 HydrophobicContact CG1-CD2 4.15Å; V434-Y439 HydrophobicContact CG1-CE2 4.02Å; Y439-R441 PolarHBondContact O-N 3.02Å; Y439-T442 PolarHBondContact O-N 2.96Å; Y439-T442 PolarHBondContact O-OG1 2.79Å; Y439-V447 HydrophobicContact CD1-CB 4.43Å; Y439-V447 HydrophobicContact CD1-CG1 3.79Å; Y439-V447 HydrophobicContact CD1-CG2 4.04Å; Y439-V447 HydrophobicContact CE1-CG1 3.94Å; Y439-V452 HydrophobicContact CD2-CG1 3.94Å; Y439-V452 HydrophobicContact CD2-CG2 4.13Å; Y439-V452 HydrophobicContact CE2-CB 4.45Å; Y439-V452 HydrophobicContact CE2-CG1 4.05Å; Y439-V452 HydrophobicContact CE2-CG2 4.3Å; Y439-V452 HydrophobicContact CG-CG2 4.25Å; Y439-A455 HydrophobicContact CE2-CB 4.26Å; Y439-A455 WeakPolarHBondContact OH-CB 3.46Å
440	R	70.3	Confident	77.4	Confident	92 Å²	92	49.9 Å²	49.9	35%	0.347	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-65	-18.5	175.7	-78.9	-66.7	-171.4	-166.4	-4.5	113.9	N112 E114 H435	N112-R440 PolarHBondContact ND2-NH2 2.68Å; E114-R440 IonicContact OE1-CZ 3.08Å; E114-R440 IonicContact OE1-NE 3.45Å; E114-R440 PolarHBondContact OE1-NE 2.98Å; E114-R440 IonicContact OE1-NH2 2.63Å; E114-R440 PolarHBondContact OE1-NH2 2.65Å; E114-R440 IonicContact OE2-CZ 3.77Å; E114-R440 IonicContact OE2-NH2 3.94Å; E114-R440 PolarHBondContact OE2-NH2 3.29Å; H435-R440 PolarHBondContact O-N 3.23Å; H435-R440 VanDerWaalsContact O-N 3.17Å
441	R	58.1	Low	77.2	Confident	153 Å²	153	55 Å²	55	58%	0.577	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-81.3	-23.1	-178	-156	179.8	-161.7	164.8	5.6	113.7	F438 Y439 G443 W539	F438-R441 PolarHBondContact O-N 2.75Å; Y439-R441 PolarHBondContact O-N 3.02Å; R441-G443 VanDerWaalsContact C-N 3.31Å; R441-W539 VanDerWaalsContact CZ-CH2 3.43Å; R441-W539 VanDerWaalsContact NH1-CH2 3.25Å
442	T	55.9	Low	77.1	Confident	99 Å²	99	55 Å²	55	61%	0.607	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-83.7	-5.3	179.6	56.8	0	0	0	0	113.4	Y439 V444	Y439-T442 PolarHBondContact O-N 2.96Å; Y439-T442 PolarHBondContact O-OG1 2.79Å; T442-V444 PolarHBondContact O-N 3.18Å; T442-V444 WeakPolarHBondContact OG1-CG2 3.38Å
443	G	51.4	Low	77.3	Confident	57 Å²	57	55.3 Å²	55.3	59%	0.588	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	3	-177.8	0	0	0	0	0	114.6	R441 I445	R441-G443 VanDerWaalsContact C-N 3.31Å; G443-I445 PolarHBondContact O-N 3.05Å
444	V	53.1	Low	77.5	Confident	80 Å²	80	57.5 Å²	57.5	49%	0.485	32%	0.317	S	S	.	.			trans	-71.7	123.3	177.5	-172.9	0	0	0	0	109.4	T442 V447	T442-V444 PolarHBondContact O-N 3.18Å; T442-V444 WeakPolarHBondContact OG1-CG2 3.38Å; V444-V447 HydrophobicContact CB-CG2 3.9Å; V444-V447 HydrophobicContact CG1-CG2 3.47Å; V444-V447 VanDerWaalsContact CG1-CG2 3.47Å
445	I	53.2	Low	77.6	Confident	145 Å²	145	58.8 Å²	58.8	74%	0.744	33%	0.327	S	S	*	.			trans	-107.1	136.2	177.3	-61	172.7	0	0	0	107.4	G443	G443-I445 PolarHBondContact O-N 3.05Å
446	G	64.4	Low	77.8	Confident	61 Å²	61	58.2 Å²	58.2	63%	0.629	33%	0.325	S	S	*	.			trans	87.7	17.7	178.5	0	0	0	0	0	115.8	Q448	G446-Q448 PolarHBondContact O-N 3.36Å
447	V	76.9	Confident	78.3	Confident	25 Å²	25	61.7 Å²	61.7	15%	0.152	34%	0.34	C	S	.	.			trans	-60	129.9	170.1	-171.5	0	0	0	0	109.3	Y439 V444 E451 V452	Y439-V447 HydrophobicContact CD1-CB 4.43Å; Y439-V447 HydrophobicContact CD1-CG1 3.79Å; Y439-V447 HydrophobicContact CD1-CG2 4.04Å; Y439-V447 HydrophobicContact CE1-CG1 3.94Å; V444-V447 HydrophobicContact CB-CG2 3.9Å; V444-V447 HydrophobicContact CG1-CG2 3.47Å; V444-V447 VanDerWaalsContact CG1-CG2 3.47Å; V447-E451 HydrophobicContact CG1-CB 4.29Å; V447-E451 WeakPolarHBondContact CG1-OE2 3.44Å; V447-V452 HydrophobicContact CB-CG2 4.39Å; V447-V452 HydrophobicContact CG1-CG2 3.62Å
448	Q	81.4	Confident	78.7	Confident	67 Å²	67	67.2 Å²	67.2	31%	0.313	36%	0.364	S	S	.	.			trans	-76.4	142.4	-175.1	-66.3	-65.4	-3.7	0	0	111.7	G446 E450 E451 V452	G446-Q448 PolarHBondContact O-N 3.36Å; Q448-E450 PolarHBondContact O-N 3.49Å; Q448-E450 VanDerWaalsContact O-N 3.12Å; Q448-E451 HydrophobicContact CB-CG 4.2Å; Q448-E451 PolarHBondContact N-OE2 3.07Å; Q448-E451 WeakPolarHBondContact O-CB 3.46Å; Q448-E451 PolarHBondContact O-N 3.16Å; Q448-V452 PolarHBondContact O-N 2.74Å
449	P	88.4	Confident	79.1	Confident	19 Å²	19	65.4 Å²	65.4	12%	0.123	36%	0.356	C	S	.	.	H	α-helix	trans	-55.9	-31.4	-179.1	-25.2	34.3	0	0	0	113.7	L128 T453	L128-P449 HydrophobicContact CD2-CB 3.84Å; P449-T453 VanDerWaalsContact O-CB 3.32Å; P449-T453 WeakPolarHBondContact O-CB 3.42Å; P449-T453 PolarHBondContact O-N 3.13Å; P449-T453 PolarHBondContact O-OG1 2.96Å
450	E	89.1	Confident	79.6	Confident	94 Å²	94	63.4 Å²	63.4	44%	0.439	35%	0.351	S	S	.	.	H	α-helix	trans	-63.8	-42.7	176.3	-71.4	61.8	-141.4	0	0	112	Q448 T453 A454	Q448-E450 PolarHBondContact O-N 3.49Å; Q448-E450 VanDerWaalsContact O-N 3.12Å; E450-T453 PolarHBondContact O-N 3.21Å; E450-A454 WeakPolarHBondContact O-CB 3.48Å; E450-A454 PolarHBondContact O-N 2.81Å
451	E	89.8	Confident	80.6	Confident	110 Å²	110	65.3 Å²	65.3	51%	0.514	37%	0.365	S	S	.	.	H	α-helix	trans	-65.7	-46.2	178.1	-62.5	177.8	157.5	0	0	110.6	V447 Q448 T453 A454 A455	V447-E451 HydrophobicContact CG1-CB 4.29Å; V447-E451 WeakPolarHBondContact CG1-OE2 3.44Å; Q448-E451 HydrophobicContact CB-CG 4.2Å; Q448-E451 PolarHBondContact N-OE2 3.07Å; Q448-E451 WeakPolarHBondContact O-CB 3.46Å; Q448-E451 PolarHBondContact O-N 3.16Å; E451-T453 VanDerWaalsContact C-N 3.3Å; E451-T453 PolarHBondContact O-N 3.1Å; E451-A454 PolarHBondContact O-N 3.16Å; E451-A455 WeakPolarHBondContact O-CB 3.36Å; E451-A455 PolarHBondContact O-N 3.19Å
452	V	92.3	Very high	82.1	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-62.5	-40.2	176.1	-172.7	0	0	0	0	110.5	V431 V434 H435 Y439 V447 Q448 A456	V431-V452 HydrophobicContact CG1-CB 4.34Å; V431-V452 HydrophobicContact CG1-CG1 3.94Å; V434-V452 HydrophobicContact CG1-CG1 3.93Å; H435-V452 HydrophobicContact CB-CG1 4.08Å; Y439-V452 HydrophobicContact CD2-CG1 3.94Å; Y439-V452 HydrophobicContact CD2-CG2 4.13Å; Y439-V452 HydrophobicContact CE2-CB 4.45Å; Y439-V452 HydrophobicContact CE2-CG1 4.05Å; Y439-V452 HydrophobicContact CE2-CG2 4.3Å; Y439-V452 HydrophobicContact CG-CG2 4.25Å; V447-V452 HydrophobicContact CB-CG2 4.39Å; V447-V452 HydrophobicContact CG1-CG2 3.62Å; Q448-V452 PolarHBondContact O-N 2.74Å; V452-A456 WeakPolarHBondContact O-CB 3.44Å; V452-A456 PolarHBondContact O-N 2.9Å
453	T	94.8	Very high	83.7	Confident	8 Å²	8	59.6 Å²	59.6	5%	0.049	34%	0.342	C	S	.	.	H	α-helix	trans	-63.5	-44.6	176.2	-59.3	0	0	0	0	111.6	F420 H424 I426 V431 P449 E450 E451 K457	F420-T453 HydrophobicContact CE1-CG2 4.18Å; F420-T453 HydrophobicContact CZ-CG2 3.77Å; H424-T453 HydrophobicContact CB-CG2 4.14Å; I426-T453 HydrophobicContact CG2-CG2 4.21Å; V431-T453 HydrophobicContact CG2-CG2 4.34Å; P449-T453 VanDerWaalsContact O-CB 3.32Å; P449-T453 WeakPolarHBondContact O-CB 3.42Å; P449-T453 PolarHBondContact O-N 3.13Å; P449-T453 PolarHBondContact O-OG1 2.96Å; E450-T453 PolarHBondContact O-N 3.21Å; E451-T453 VanDerWaalsContact C-N 3.3Å; E451-T453 PolarHBondContact O-N 3.1Å; T453-K457 VanDerWaalsContact O-CB 3.31Å; T453-K457 WeakPolarHBondContact O-CB 3.22Å; T453-K457 PolarHBondContact O-N 3.01Å
454	A	94.3	Very high	85.6	Confident	61 Å²	61	57.9 Å²	57.9	50%	0.504	32%	0.318	S	S	.	.	H	α-helix	trans	-65.3	-43.3	178.3	0	0	0	0	0	112.1	E450 E451 K458	E450-A454 WeakPolarHBondContact O-CB 3.48Å; E450-A454 PolarHBondContact O-N 2.81Å; E451-A454 PolarHBondContact O-N 3.16Å; A454-K458 WeakPolarHBondContact O-CB 3.34Å; A454-K458 PolarHBondContact O-N 3.03Å
455	A	92.4	Very high	87.6	Confident	29 Å²	29	54.1 Å²	54.1	24%	0.24	30%	0.295	C	S	.	.	H	α-helix	trans	-67.2	-42.5	176.7	0	0	0	0	0	112.5	Y439 E451 K458 A459	Y439-A455 HydrophobicContact CE2-CB 4.26Å; Y439-A455 WeakPolarHBondContact OH-CB 3.46Å; E451-A455 WeakPolarHBondContact O-CB 3.36Å; E451-A455 PolarHBondContact O-N 3.19Å; A455-K458 PolarHBondContact O-N 2.91Å; A455-A459 WeakPolarHBondContact O-CB 3.35Å; A455-A459 PolarHBondContact O-N 3.38Å
456	A	94.3	Very high	89.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.8	-47.6	174.9	0	0	0	0	0	111.2	I426 V431 V434 V452 K458 A459 V460	I426-A456 VanDerWaalsContact CD1-C 3.43Å; I426-A456 HydrophobicContact CD1-CB 3.52Å; V431-A456 HydrophobicContact CG2-CB 4.2Å; V434-A456 HydrophobicContact CB-CB 4.01Å; V434-A456 HydrophobicContact CG1-CB 3.93Å; V434-A456 HydrophobicContact CG2-CB 3.81Å; V452-A456 WeakPolarHBondContact O-CB 3.44Å; V452-A456 PolarHBondContact O-N 2.9Å; A456-K458 VanDerWaalsContact C-N 3.35Å; A456-K458 PolarHBondContact O-N 3.26Å; A456-A459 PolarHBondContact O-N 2.86Å; A456-V460 WeakPolarHBondContact O-CG2 3.3Å; A456-V460 PolarHBondContact O-N 3.2Å
457	K	94.8	Very high	90.7	Very high	80 Å²	80	46.5 Å²	46.5	35%	0.348	24%	0.239	S	C	.	.	H	α-helix	trans	-55.1	-49.2	174	-179.3	-177	-172.4	147	0	111.3	H424 I426 T453 V460 M461	H424-K457 WeakPolarHBondContact O-CD 3.49Å; H424-K457 WeakPolarHBondContact O-CE 3.41Å; H424-K457 PolarHBondContact O-NZ 3.35Å; I426-K457 HydrophobicContact CG2-CB 4.22Å; T453-K457 VanDerWaalsContact O-CB 3.31Å; T453-K457 WeakPolarHBondContact O-CB 3.22Å; T453-K457 PolarHBondContact O-N 3.01Å; K457-V460 PolarHBondContact O-N 3.24Å; K457-M461 HydrophobicContact CD-SD 4.47Å; K457-M461 HydrophobicContact CG-SD 4.03Å; K457-M461 WeakPolarHBondContact O-CG 3.41Å; K457-M461 PolarHBondContact O-N 3.1Å
458	K	93	Very high	91.1	Very high	128 Å²	128	45.4 Å²	45.4	56%	0.557	23%	0.233	S	C	*	.	H	α-helix	trans	-60.1	-46.7	177.9	-178.7	175.2	178.1	-177	0	111.4	A454 A455 A456 V460 M461 D462	A454-K458 WeakPolarHBondContact O-CB 3.34Å; A454-K458 PolarHBondContact O-N 3.03Å; A455-K458 PolarHBondContact O-N 2.91Å; A456-K458 VanDerWaalsContact C-N 3.35Å; A456-K458 PolarHBondContact O-N 3.26Å; K458-V460 VanDerWaalsContact C-N 3.28Å; K458-V460 PolarHBondContact O-N 3.08Å; K458-M461 PolarHBondContact O-N 3.47Å; K458-D462 WeakPolarHBondContact CG-OD2 3.37Å; K458-D462 VanDerWaalsContact O-CB 3.32Å; K458-D462 WeakPolarHBondContact O-CB 3.4Å; K458-D462 PolarHBondContact O-N 2.85Å
459	A	92.8	Very high	91.1	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.017	22%	0.223	C	C	.	.	H	α-helix	trans	-63.9	-29.3	179.3	0	0	0	0	0	113.9	A455 A456 N463 R464 L465 E476	A455-A459 WeakPolarHBondContact O-CB 3.35Å; A455-A459 PolarHBondContact O-N 3.38Å; A456-A459 PolarHBondContact O-N 2.86Å; A459-N463 PolarHBondContact O-N 3.38Å; A459-R464 PolarHBondContact O-N 2.65Å; A459-L465 HydrophobicContact CB-CD1 4.09Å; A459-L465 HydrophobicContact CB-CD2 3.58Å; A459-L465 HydrophobicContact CB-CG 3.63Å; A459-L465 PolarHBondContact O-N 2.86Å; A459-E476 WeakPolarHBondContact CB-OE1 3.44Å
460	V	91.8	Very high	90.4	Very high	22 Å²	22	44.5 Å²	44.5	13%	0.133	23%	0.228	C	C	.	.	H	α-helix	trans	-70.5	-50.5	168.9	171.7	0	0	0	0	111.4	I426 L430 A456 K457 K458 D462 N463 L465	I426-V460 HydrophobicContact CD1-CG2 3.76Å; I426-V460 HydrophobicContact CG1-CG2 4.46Å; L430-V460 HydrophobicContact CD2-CG2 3.74Å; A456-V460 WeakPolarHBondContact O-CG2 3.3Å; A456-V460 PolarHBondContact O-N 3.2Å; K457-V460 PolarHBondContact O-N 3.24Å; K458-V460 VanDerWaalsContact C-N 3.28Å; K458-V460 PolarHBondContact O-N 3.08Å; V460-D462 VanDerWaalsContact C-N 3.28Å; V460-D462 PolarHBondContact O-N 2.93Å; V460-N463 WeakPolarHBondContact O-CA 3.33Å; V460-N463 PolarHBondContact O-N 2.95Å; V460-L465 HydrophobicContact CG2-CD1 3.7Å
461	M	90.4	Very high	89.5	Confident	132 Å²	132	40.6 Å²	40.6	65%	0.65	21%	0.212	S	C	*	.	H	α-helix	trans	-59.5	-40.7	179.5	-70.7	177.2	64.6	0	0	111.7	K457 K458 N463	K457-M461 HydrophobicContact CD-SD 4.47Å; K457-M461 HydrophobicContact CG-SD 4.03Å; K457-M461 WeakPolarHBondContact O-CG 3.41Å; K457-M461 PolarHBondContact O-N 3.1Å; K458-M461 PolarHBondContact O-N 3.47Å; M461-N463 PolarHBondContact O-N 3.18Å; M461-N463 PolarHBondContact O-ND2 3.24Å
462	D	89.7	Confident	89	Confident	51 Å²	51	36.1 Å²	36.1	27%	0.273	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-0.9	174.2	-59.1	-19.2	0	0	0	112.9	K458 V460 R464 Y529	K458-D462 WeakPolarHBondContact CG-OD2 3.37Å; K458-D462 VanDerWaalsContact O-CB 3.32Å; K458-D462 WeakPolarHBondContact O-CB 3.4Å; K458-D462 PolarHBondContact O-N 2.85Å; V460-D462 VanDerWaalsContact C-N 3.28Å; V460-D462 PolarHBondContact O-N 2.93Å; D462-R464 HydrophobicContact CB-CB 4.48Å; D462-R464 HydrophobicContact CB-CG 3.59Å; D462-R464 WeakPolarHBondContact O-CG 3.38Å; D462-R464 PolarHBondContact O-N 2.91Å; D462-R464 VanDerWaalsContact O-N 3.14Å; D462-R464 IonicContact OD2-CZ 3.73Å; D462-R464 IonicContact OD2-NE 3.86Å; D462-R464 PolarHBondContact OD2-NE 2.98Å; D462-R464 IonicContact OD2-NH2 2.69Å; D462-Y529 HydrophobicContact CB-CD2 4.45Å; D462-Y529 WeakPolarHBondContact O-CB 3.4Å; D462-Y529 WeakPolarHBondContact O-CD2 2.96Å
463	N	90.3	Very high	88.6	Confident	80 Å²	80	36.1 Å²	36.1	43%	0.428	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	24.1	-174.8	-68.7	-94.7	0	0	0	115.5	A459 V460 M461	A459-N463 PolarHBondContact O-N 3.38Å; V460-N463 WeakPolarHBondContact O-CA 3.33Å; V460-N463 PolarHBondContact O-N 2.95Å; M461-N463 PolarHBondContact O-N 3.18Å; M461-N463 PolarHBondContact O-ND2 3.24Å
464	R	91.3	Very high	88.4	Confident	22 Å²	22	35.7 Å²	35.7	8%	0.083	19%	0.192	C	C	.	.			trans	-83.9	-23.4	-174.3	-61.7	-177.4	-52.5	95.5	10.4	113.1	A459 D462 H466 E476 L477 H478 Y529	A459-R464 PolarHBondContact O-N 2.65Å; D462-R464 HydrophobicContact CB-CB 4.48Å; D462-R464 HydrophobicContact CB-CG 3.59Å; D462-R464 WeakPolarHBondContact O-CG 3.38Å; D462-R464 PolarHBondContact O-N 2.91Å; D462-R464 VanDerWaalsContact O-N 3.14Å; D462-R464 IonicContact OD2-CZ 3.73Å; D462-R464 IonicContact OD2-NE 3.86Å; D462-R464 PolarHBondContact OD2-NE 2.98Å; D462-R464 IonicContact OD2-NH2 2.69Å; R464-H466 PolarHBondContact O-ND1 3.16Å; R464-E476 HydrophobicContact CB-CG 4.03Å; R464-E476 IonicContact CZ-OE1 2.8Å; R464-E476 IonicContact NH1-OE1 2.85Å; R464-E476 PolarHBondContact NH1-OE1 3.02Å; R464-E476 IonicContact NH1-OE2 3.21Å; R464-E476 IonicContact NH2-OE1 2.69Å; R464-E476 PolarHBondContact NH2-OE1 3Å; R464-E476 WeakPolarHBondContact O-CA 3.17Å; R464-L477 PolarHBondContact O-N 2.95Å; R464-H478 PolarHBondContact NH1-ND1 3.27Å; R464-Y529 VanDerWaalsContact CD-CZ 3.4Å; R464-Y529 HydrophobicContact CG-CD1 3.8Å; R464-Y529 HydrophobicContact CG-CD2 3.73Å; R464-Y529 HydrophobicContact CG-CE1 3.87Å; R464-Y529 HydrophobicContact CG-CE2 3.82Å; R464-Y529 HydrophobicContact CG-CG 3.72Å
465	L	93.4	Very high	88.1	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	127.6	-178.2	-60.8	-171	0	0	0	113.5	L430 V434 F438 A459 V460 L474 E476 K547 V548	L430-L465 HydrophobicContact CD1-CD1 4.34Å; L430-L465 HydrophobicContact CD2-CD1 4.36Å; L430-L465 HydrophobicContact CG-CD1 4.44Å; V434-L465 HydrophobicContact CG2-CD1 3.94Å; V434-L465 HydrophobicContact CG2-CD2 4.48Å; F438-L465 HydrophobicContact CE2-CD2 3.61Å; F438-L465 HydrophobicContact CZ-CD2 4.09Å; A459-L465 HydrophobicContact CB-CD1 4.09Å; A459-L465 HydrophobicContact CB-CD2 3.58Å; A459-L465 HydrophobicContact CB-CG 3.63Å; A459-L465 PolarHBondContact O-N 2.86Å; V460-L465 HydrophobicContact CG2-CD1 3.7Å; L465-L474 HydrophobicContact CD1-CD2 4.39Å; L465-L474 HydrophobicContact CD2-CD2 4.29Å; L465-E476 HydrophobicContact CD2-CB 4.35Å; L465-E476 HydrophobicContact CD2-CG 4.16Å; L465-K547 WeakPolarHBondContact O-CA 3.32Å; L465-V548 PolarHBondContact O-N 3.26Å; L465-V548 VanDerWaalsContact O-N 3.12Å
466	H	92.5	Very high	88	Confident	3 Å²	3	33.3 Å²	33.3	1%	0.014	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.9	177.4	-62.6	67.7	0	0	0	110.2	R464 S475 L534 V545 R546 K547	R464-H466 PolarHBondContact O-ND1 3.16Å; H466-S475 PolarHBondContact N-O 3.07Å; H466-S475 PolarHBondContact O-N 3.42Å; H466-S475 VanDerWaalsContact O-O 3.09Å; H466-L534 HydrophobicContact CB-CB 4.45Å; H466-L534 HydrophobicContact CB-CD2 4.16Å; H466-L534 PolarHBondContact NE2-N 3.34Å; H466-V545 HydrophobicContact CB-CB 4.48Å; H466-R546 CarbonylContact C-O 3.44Å; H466-R546 WeakPolarHBondContact CA-O 3.39Å; H466-K547 WeakPolarHBondContact NE2-CE 3.43Å; H466-K547 WeakPolarHBondContact NE2-CG 3.36Å
467	K	90.5	Very high	87.8	Confident	43 Å²	43	33.9 Å²	33.9	19%	0.187	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	136.4	174.1	-161.8	151.1	-175.1	165	0	110	D433 G472 L474 V545 R546 V548 I554	D433-K467 IonicContact OD2-NZ 2.73Å; D433-K467 PolarHBondContact OD2-NZ 3.27Å; K467-G472 WeakPolarHBondContact CE-O 3.41Å; K467-L474 HydrophobicContact CB-CD1 4.38Å; K467-V545 WeakPolarHBondContact O-CA 3.18Å; K467-R546 PolarHBondContact N-O 2.89Å; K467-R546 PolarHBondContact O-N 3.27Å; K467-V548 HydrophobicContact CB-CG2 3.62Å; K467-I554 HydrophobicContact CB-CD1 4.31Å; K467-I554 HydrophobicContact CD-CD1 4.23Å; K467-I554 HydrophobicContact CG-CD1 4.3Å
468	C	85.8	Confident	87.3	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.007	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	123.5	178.8	-177.6	0	0	0	0	111.2	L470 C471 G472 A473 C537 C540 S544 V545	C468-L470 VanDerWaalsContact C-N 3.27Å; C468-L470 PolarHBondContact O-N 2.79Å; C468-C471 VanDerWaalsContact SG-SG 3.62Å; C468-G472 VanDerWaalsContact O-CA 3.27Å; C468-G472 WeakPolarHBondContact O-CA 3.13Å; C468-G472 PolarHBondContact O-N 3.13Å; C468-A473 PolarHBondContact N-O 3.36Å; C468-C537 HydrophobicContact CB-CB 3.91Å; C468-C537 VanDerWaalsContact CB-SG 3.55Å; C468-C540 VanDerWaalsContact SG-SG 3.64Å; C468-S544 WeakPolarHBondContact CA-O 3.32Å; C468-V545 HydrophobicContact CB-CG1 3.91Å
469	L	81.2	Confident	87	Confident	21 Å²	21	29.7 Å²	29.7	11%	0.11	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-26.3	179.6	-53.8	-174.2	0	0	0	112.5	S544 R546 I554 Y556 D560	L469-S544 PolarHBondContact N-O 3.43Å; L469-R546 HydrophobicContact CD1-CG 3.95Å; L469-R546 HydrophobicContact CD2-CG 4.28Å; L469-R546 HydrophobicContact CG-CG 4.15Å; L469-I554 HydrophobicContact CD2-CD1 4.09Å; L469-I554 HydrophobicContact CD2-CG2 4.15Å; L469-Y556 HydrophobicContact CD1-CD1 4.37Å; L469-Y556 HydrophobicContact CD2-CD1 4.17Å; L469-Y556 HydrophobicContact CD2-CE1 3.75Å; L469-D560 HydrophobicContact CD1-CB 3.78Å; L469-D560 VanDerWaalsContact CD1-CG 3.46Å
470	L	73.9	Confident	86.8	Confident	46 Å²	46	31.2 Å²	31.2	24%	0.241	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-31.4	-176.9	-64.2	169.4	0	0	0	113.6	R99 C468	R99-L470 PolarHBondContact NH1-O 3.25Å; C468-L470 VanDerWaalsContact C-N 3.27Å; C468-L470 PolarHBondContact O-N 2.79Å
471	C	71.4	Confident	86.6	Confident	13 Å²	13	34.6 Å²	34.6	9%	0.088	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-2.7	-175.9	68.9	0	0	0	0	115.4	C468 A473 C540	C468-C471 VanDerWaalsContact SG-SG 3.62Å; C471-A473 PolarHBondContact O-N 2.84Å; C471-A473 VanDerWaalsContact SG-CB 3.55Å; C471-C540 HydrophobicContact CB-CB 4.2Å; C471-C540 PolarHBondContact SG-SG 3.13Å
472	G	78.8	Confident	86.6	Confident	15 Å²	15	34 Å²	34	16%	0.155	18%	0.181	C	C	.	.			trans	73.8	-5.8	-177.9	0	0	0	0	0	115.1	K467 C468	K467-G472 WeakPolarHBondContact CE-O 3.41Å; C468-G472 VanDerWaalsContact O-CA 3.27Å; C468-G472 WeakPolarHBondContact O-CA 3.13Å; C468-G472 PolarHBondContact O-N 3.13Å
473	A	83.3	Confident	86.8	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.			trans	-73.1	145	-173.8	0	0	0	0	0	113.5	A108 Y437 C468 C471 W539	A108-A473 HydrophobicContact CB-CB 4.42Å; Y437-A473 HydrophobicContact CD1-CB 4.21Å; Y437-A473 HydrophobicContact CE1-CB 3.55Å; C468-A473 PolarHBondContact N-O 3.36Å; C471-A473 PolarHBondContact O-N 2.84Å; C471-A473 VanDerWaalsContact SG-CB 3.55Å; A473-W539 HydrophobicContact CB-CB 4.17Å; A473-W539 VanDerWaalsContact CB-CD1 3.5Å; A473-W539 HydrophobicContact CB-CG 3.89Å
474	L	90.1	Very high	86.9	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133.4	171	-160.1	72.2	0	0	0	109.8	L430 D433 V434 Y437 F438 L465 K467 W539 V548	L430-L474 HydrophobicContact CD1-CD1 4.09Å; L430-L474 HydrophobicContact CD1-CD2 4.17Å; D433-L474 HydrophobicContact CB-CD2 4.21Å; V434-L474 HydrophobicContact CB-CD2 4.44Å; V434-L474 HydrophobicContact CG2-CD2 3.53Å; Y437-L474 HydrophobicContact CD2-CB 3.4Å; Y437-L474 HydrophobicContact CE2-CB 4.05Å; Y437-L474 HydrophobicContact CG-CB 3.9Å; F438-L474 HydrophobicContact CE2-CD2 3.81Å; F438-L474 HydrophobicContact CE2-CG 4.36Å; F438-L474 HydrophobicContact CZ-CB 4.26Å; F438-L474 HydrophobicContact CZ-CD2 3.78Å; F438-L474 HydrophobicContact CZ-CG 3.84Å; L465-L474 HydrophobicContact CD1-CD2 4.39Å; L465-L474 HydrophobicContact CD2-CD2 4.29Å; K467-L474 HydrophobicContact CB-CD1 4.38Å; L474-W539 PolarHBondContact O-NE1 3.3Å; L474-V548 HydrophobicContact CD1-CG2 4.03Å
475	S	89.6	Confident	87	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.9	174.3	-61.4	0	0	0	0	109.1	H466 L534 N538	H466-S475 PolarHBondContact N-O 3.07Å; H466-S475 PolarHBondContact O-N 3.42Å; H466-S475 VanDerWaalsContact O-O 3.09Å; S475-L534 VanDerWaalsContact CB-CD2 3.46Å; S475-N538 PolarHBondContact OG-N 2.69Å; S475-N538 VanDerWaalsContact OG-N 3.11Å
476	E	89.8	Confident	86.9	Confident	40 Å²	40	35.7 Å²	35.7	19%	0.187	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132	177.1	-169	-179.9	-141.4	0	0	109.2	F438 A459 R464 L465 H478 N538	F438-E476 HydrophobicContact CE1-CB 4Å; F438-E476 HydrophobicContact CE2-CB 3.96Å; F438-E476 HydrophobicContact CZ-CB 3.64Å; A459-E476 WeakPolarHBondContact CB-OE1 3.44Å; R464-E476 HydrophobicContact CB-CG 4.03Å; R464-E476 IonicContact CZ-OE1 2.8Å; R464-E476 IonicContact NH1-OE1 2.85Å; R464-E476 PolarHBondContact NH1-OE1 3.02Å; R464-E476 IonicContact NH1-OE2 3.21Å; R464-E476 IonicContact NH2-OE1 2.69Å; R464-E476 PolarHBondContact NH2-OE1 3Å; R464-E476 WeakPolarHBondContact O-CA 3.17Å; L465-E476 HydrophobicContact CD2-CB 4.35Å; L465-E476 HydrophobicContact CD2-CG 4.16Å; E476-H478 VanDerWaalsContact C-N 3.26Å; E476-H478 HydrophobicContact CG-CB 4.18Å; E476-H478 PolarHBondContact O-N 3.35Å; E476-H478 VanDerWaalsContact O-N 3.14Å; E476-N538 PolarHBondContact O-ND2 2.92Å
477	L	88.9	Confident	86.6	Confident	12 Å²	12	38.2 Å²	38.2	6%	0.063	22%	0.221	C	C	.	.			trans	-82.7	79	165.6	-173.9	57.9	0	0	0	108	R464 Y529 L534	R464-L477 PolarHBondContact O-N 2.95Å; L477-Y529 HydrophobicContact CD2-CD1 4.13Å; L477-Y529 HydrophobicContact CD2-CE1 4.41Å; L477-Y529 HydrophobicContact CG-CD1 4.29Å; L477-Y529 HydrophobicContact CG-CE1 4.13Å; L477-Y529 VanDerWaalsContact O-CE1 3.3Å; L477-Y529 WeakPolarHBondContact O-CE1 3.29Å; L477-L534 HydrophobicContact CD1-CD1 4.2Å
478	H	84.8	Confident	86.6	Confident	106 Å²	106	36.4 Å²	36.4	49%	0.491	21%	0.214	S	C	.	.			trans	-97.7	138.4	175.2	-175.1	83	0	0	0	110.8	R464 E476	R464-H478 PolarHBondContact NH1-ND1 3.27Å; E476-H478 VanDerWaalsContact C-N 3.26Å; E476-H478 HydrophobicContact CG-CB 4.18Å; E476-H478 PolarHBondContact O-N 3.35Å; E476-H478 VanDerWaalsContact O-N 3.14Å
479	V	86.3	Confident	87	Confident	14 Å²	14	43.1 Å²	43.1	9%	0.085	24%	0.243	C	C	.	.			trans	-128.5	123.4	176.3	-178.5	0	0	0	0	108.1	L484 L490 L514	V479-L484 HydrophobicContact CB-CD1 4.43Å; V479-L484 HydrophobicContact CG1-CD1 3.99Å; V479-L484 HydrophobicContact CG1-CD2 4.22Å; V479-L484 HydrophobicContact CG1-CG 4.06Å; V479-L490 HydrophobicContact CG1-CD1 3.86Å; V479-L514 HydrophobicContact CB-CD2 4.45Å; V479-L514 HydrophobicContact CG1-CD2 4.16Å; V479-L514 HydrophobicContact CG2-CD1 3.65Å; V479-L514 HydrophobicContact CG2-CD2 3.8Å; V479-L514 HydrophobicContact CG2-CG 4.34Å
480	P	88.4	Confident	87.5	Confident	34 Å²	34	42.4 Å²	42.4	22%	0.221	24%	0.24	C	C	.	.			trans	-61.6	133.7	-178.6	-23.8	34.3	0	0	0	112	E482 W483	P480-E482 WeakPolarHBondContact CB-OE1 3.45Å; P480-E482 WeakPolarHBondContact CB-OE2 3.28Å; P480-E482 PolarHBondContact O-N 2.94Å; P480-E482 VanDerWaalsContact O-N 3.17Å; P480-W483 HydrophobicContact CB-CG 4.41Å; P480-W483 HydrophobicContact CG-CD2 4.46Å; P480-W483 HydrophobicContact CG-CZ2 4.45Å; P480-W483 WeakPolarHBondContact O-CB 3.36Å; P480-W483 PolarHBondContact O-N 3.01Å
481	P	88.1	Confident	88.5	Confident	92 Å²	92	40.4 Å²	40.4	60%	0.597	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-55.8	-33.2	-178.2	-27.4	35.8	0	0	0	114	W483 L484 A485	P481-W483 PolarHBondContact O-N 2.92Å; P481-W483 VanDerWaalsContact O-N 3.17Å; P481-L484 PolarHBondContact O-N 3.13Å; P481-A485 PolarHBondContact O-N 3.4Å
482	E	91.6	Very high	89.5	Confident	120 Å²	120	43.3 Å²	43.3	56%	0.561	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-70.6	-6.3	179.4	78.2	-69.4	168.7	0	0	114	P480 G488	P480-E482 WeakPolarHBondContact CB-OE1 3.45Å; P480-E482 WeakPolarHBondContact CB-OE2 3.28Å; P480-E482 PolarHBondContact O-N 2.94Å; P480-E482 VanDerWaalsContact O-N 3.17Å; E482-G488 WeakPolarHBondContact O-CA 3.42Å
483	W	93	Very high	90.2	Very high	76 Å²	76	46.4 Å²	46.4	29%	0.288	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-87.1	-18.4	169.3	-66.2	24.9	0	0	0	112.5	P480 P481 G488 K489 L490 Y491	P480-W483 HydrophobicContact CB-CG 4.41Å; P480-W483 HydrophobicContact CG-CD2 4.46Å; P480-W483 HydrophobicContact CG-CZ2 4.45Å; P480-W483 WeakPolarHBondContact O-CB 3.36Å; P480-W483 PolarHBondContact O-N 3.01Å; P481-W483 PolarHBondContact O-N 2.92Å; P481-W483 VanDerWaalsContact O-N 3.17Å; W483-G488 CarbonylContact O-C 3.59Å; W483-K489 HydrophobicContact CD2-CD 4.23Å; W483-K489 HydrophobicContact CG-CB 4.48Å; W483-K489 PolarHBondContact O-N 2.86Å; W483-L490 HydrophobicContact CB-CD1 4.41Å; W483-L490 HydrophobicContact CB-CG 4.31Å; W483-L490 HydrophobicContact CE3-CD1 4.33Å; W483-L490 HydrophobicContact CE3-CG 4.34Å; W483-L490 WeakPolarHBondContact O-CB 3.29Å; W483-L490 PolarHBondContact O-N 2.92Å; W483-Y491 PolarHBondContact O-N 2.89Å
484	L	93.3	Very high	90.6	Very high	13 Å²	13	46.6 Å²	46.6	7%	0.068	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-20.1	-170.5	-63.2	166	0	0	0	113.2	V479 P481 L490 L514 L525 P527	V479-L484 HydrophobicContact CB-CD1 4.43Å; V479-L484 HydrophobicContact CG1-CD1 3.99Å; V479-L484 HydrophobicContact CG1-CD2 4.22Å; V479-L484 HydrophobicContact CG1-CG 4.06Å; P481-L484 PolarHBondContact O-N 3.13Å; L484-L490 HydrophobicContact CD2-CB 4.46Å; L484-L490 HydrophobicContact CD2-CD1 4.04Å; L484-L514 HydrophobicContact CD2-CD2 4.37Å; L484-L525 HydrophobicContact CB-CB 4.24Å; L484-L525 HydrophobicContact CD2-CB 3.85Å; L484-L525 PolarHBondContact O-N 3.12Å; L484-P527 HydrophobicContact CD1-CG 3.6Å; L484-P527 HydrophobicContact CD2-CG 4.06Å
485	A	93.3	Very high	90.7	Very high	31 Å²	31	51.1 Å²	51.1	26%	0.256	28%	0.277	S	S	.	.	S	Bend	trans	-81.9	168.7	173.2	0	0	0	0	0	112.5	P481 G487 G488 Y491 V524	P481-A485 PolarHBondContact O-N 3.4Å; A485-G487 PolarHBondContact O-N 2.92Å; A485-G488 WeakPolarHBondContact O-CA 3.45Å; A485-G488 PolarHBondContact O-N 3.36Å; A485-Y491 WeakPolarHBondContact O-CB 3.31Å; A485-V524 HydrophobicContact CB-CG1 4.25Å
486	P	90.5	Very high	90.7	Very high	69 Å²	69	55.6 Å²	55.6	45%	0.448	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	135.6	-179.2	-23.1	36.2	0	0	0	112.1	G488 Y491 D523	P486-G488 PolarHBondContact O-N 3.2Å; P486-Y491 HydrophobicContact CB-CD1 4.42Å; P486-Y491 HydrophobicContact CB-CE1 4Å; P486-Y491 HydrophobicContact CB-CE2 4.37Å; P486-Y491 HydrophobicContact CG-CD2 4.49Å; P486-Y491 HydrophobicContact CG-CE1 4.43Å; P486-Y491 HydrophobicContact CG-CE2 3.94Å; P486-D523 WeakPolarHBondContact CD-O 3.45Å; P486-D523 HydrophobicContact CG-CB 4.17Å; P486-D523 WeakPolarHBondContact CG-O 3.47Å; P486-D523 WeakPolarHBondContact CG-OD2 3.05Å
487	G	87.2	Confident	90.7	Very high	57 Å²	57	57.8 Å²	57.8	59%	0.588	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-15.3	-169.5	0	0	0	0	0	113.8	A485 N492	A485-G487 PolarHBondContact O-N 2.92Å; G487-N492 VanDerWaalsContact C-ND2 3.28Å; G487-N492 WeakPolarHBondContact CA-OD1 3.4Å; G487-N492 PolarHBondContact N-OD1 3.4Å; G487-N492 PolarHBondContact O-ND2 2.69Å
488	G	90.3	Very high	90.7	Very high	5 Å²	5	61.5 Å²	61.5	5%	0.052	34%	0.342	C	S	.	.	S	Bend	trans	-68.9	153.9	174.5	0	0	0	0	0	113.8	E482 W483 A485 P486 L490 Y491 N492	E482-G488 WeakPolarHBondContact O-CA 3.42Å; W483-G488 CarbonylContact O-C 3.59Å; A485-G488 WeakPolarHBondContact O-CA 3.45Å; A485-G488 PolarHBondContact O-N 3.36Å; P486-G488 PolarHBondContact O-N 3.2Å; G488-L490 PolarHBondContact O-N 2.68Å; G488-Y491 PolarHBondContact O-N 2.84Å; G488-N492 VanDerWaalsContact O-CB 3.32Å; G488-N492 WeakPolarHBondContact O-CB 3.31Å; G488-N492 PolarHBondContact O-N 2.85Å; G488-N492 PolarHBondContact O-ND2 3.27Å
489	K	92.8	Very high	90.8	Very high	141 Å²	141	58.4 Å²	58.4	61%	0.613	34%	0.338	S	S	*	.	H	α-helix	trans	-58.2	-45.7	-172.2	-66	178.2	-177	171.4	0	113.7	W483 L493	W483-K489 HydrophobicContact CD2-CD 4.23Å; W483-K489 HydrophobicContact CG-CB 4.48Å; W483-K489 PolarHBondContact O-N 2.86Å; K489-L493 VanDerWaalsContact O-CB 3.31Å; K489-L493 WeakPolarHBondContact O-CB 3.46Å; K489-L493 PolarHBondContact O-N 3.33Å; K489-L493 VanDerWaalsContact O-N 3.13Å
490	L	92.3	Very high	90.9	Very high	6 Å²	6	66 Å²	66	3%	0.031	37%	0.373	C	S	.	.	H	α-helix	trans	-79.7	-37.6	-176.8	-59.8	177.7	0	0	0	111.4	V479 W483 L484 G488 L493 A494 F509 L514 L525	V479-L490 HydrophobicContact CG1-CD1 3.86Å; W483-L490 HydrophobicContact CB-CD1 4.41Å; W483-L490 HydrophobicContact CB-CG 4.31Å; W483-L490 HydrophobicContact CE3-CD1 4.33Å; W483-L490 HydrophobicContact CE3-CG 4.34Å; W483-L490 WeakPolarHBondContact O-CB 3.29Å; W483-L490 PolarHBondContact O-N 2.92Å; L484-L490 HydrophobicContact CD2-CB 4.46Å; L484-L490 HydrophobicContact CD2-CD1 4.04Å; G488-L490 PolarHBondContact O-N 2.68Å; L490-L493 PolarHBondContact O-N 3.45Å; L490-A494 PolarHBondContact O-N 3.15Å; L490-F509 HydrophobicContact CB-CE1 4.04Å; L490-F509 HydrophobicContact CB-CE2 4.3Å; L490-F509 HydrophobicContact CB-CZ 3.89Å; L490-F509 HydrophobicContact CD2-CB 4.47Å; L490-F509 HydrophobicContact CD2-CD1 3.88Å; L490-F509 HydrophobicContact CD2-CE1 4.2Å; L490-F509 HydrophobicContact CD2-CG 4.09Å; L490-F509 WeakPolarHBondContact O-CE1 3.32Å; L490-F509 WeakPolarHBondContact O-CZ 3.37Å; L490-L514 HydrophobicContact CD1-CD2 3.72Å; L490-L525 HydrophobicContact CB-CD1 4.3Å
491	Y	94	Very high	91.1	Very high	4 Å²	4	65 Å²	65	2%	0.016	37%	0.365	C	S	.	.	H	α-helix	trans	-58	-52.2	172.2	-178	-77.7	0	0	0	111.4	W483 A485 P486 G488 L493 A494 K495 L501 Y518 D523 L525	W483-Y491 PolarHBondContact O-N 2.89Å; A485-Y491 WeakPolarHBondContact O-CB 3.31Å; P486-Y491 HydrophobicContact CB-CD1 4.42Å; P486-Y491 HydrophobicContact CB-CE1 4Å; P486-Y491 HydrophobicContact CB-CE2 4.37Å; P486-Y491 HydrophobicContact CG-CD2 4.49Å; P486-Y491 HydrophobicContact CG-CE1 4.43Å; P486-Y491 HydrophobicContact CG-CE2 3.94Å; G488-Y491 PolarHBondContact O-N 2.84Å; Y491-L493 VanDerWaalsContact C-N 3.31Å; Y491-L493 PolarHBondContact O-N 2.67Å; Y491-A494 PolarHBondContact O-N 2.91Å; Y491-K495 HydrophobicContact CD1-CD 4.3Å; Y491-K495 HydrophobicContact CE1-CD 3.5Å; Y491-K495 VanDerWaalsContact CE1-CD 3.5Å; Y491-K495 WeakPolarHBondContact O-CB 3.26Å; Y491-K495 PolarHBondContact O-N 3.33Å; Y491-K495 PolarHBondContact OH-NZ 2.97Å; Y491-L501 HydrophobicContact CD2-CD1 3.9Å; Y491-L501 HydrophobicContact CE1-CD1 4.46Å; Y491-L501 HydrophobicContact CE2-CD1 3.6Å; Y491-L501 HydrophobicContact CG-CD1 4.45Å; Y491-Y518 HydrophobicContact CE2-CE2 4.22Å; Y491-D523 WeakPolarHBondContact CE2-O 3.38Å; Y491-D523 WeakPolarHBondContact CE2-OD1 3.44Å; Y491-D523 VanDerWaalsContact CZ-OD1 3.27Å; Y491-D523 PolarHBondContact OH-OD1 3.32Å; Y491-D523 PolarHBondContact OH-OD2 3.33Å; Y491-L525 HydrophobicContact CD2-CG 4.45Å
492	N	93.3	Very high	91.1	Very high	74 Å²	74	67.6 Å²	67.6	40%	0.396	36%	0.363	S	S	.	.	H	α-helix	trans	-62.9	-38.8	179.1	-67.8	-11.9	0	0	0	111.4	G487 G488 K495 S496	G487-N492 VanDerWaalsContact C-ND2 3.28Å; G487-N492 WeakPolarHBondContact CA-OD1 3.4Å; G487-N492 PolarHBondContact N-OD1 3.4Å; G487-N492 PolarHBondContact O-ND2 2.69Å; G488-N492 VanDerWaalsContact O-CB 3.32Å; G488-N492 WeakPolarHBondContact O-CB 3.31Å; G488-N492 PolarHBondContact O-N 2.85Å; G488-N492 PolarHBondContact O-ND2 3.27Å; N492-K495 PolarHBondContact O-N 2.93Å; N492-S496 VanDerWaalsContact O-CB 3.32Å; N492-S496 WeakPolarHBondContact O-CB 3.28Å; N492-S496 PolarHBondContact O-N 2.99Å; N492-S496 PolarHBondContact O-OG 3.3Å
493	L	92.5	Very high	91.1	Very high	81 Å²	81	65.9 Å²	65.9	42%	0.424	36%	0.361	S	S	.	.	H	α-helix	trans	-60.5	-54.4	175.5	179.4	55.7	0	0	0	110.8	K489 L490 Y491 K495 S496 T497 F509	K489-L493 VanDerWaalsContact O-CB 3.31Å; K489-L493 WeakPolarHBondContact O-CB 3.46Å; K489-L493 PolarHBondContact O-N 3.33Å; K489-L493 VanDerWaalsContact O-N 3.13Å; L490-L493 PolarHBondContact O-N 3.45Å; Y491-L493 VanDerWaalsContact C-N 3.31Å; Y491-L493 PolarHBondContact O-N 2.67Å; L493-K495 VanDerWaalsContact C-N 3.3Å; L493-K495 PolarHBondContact O-N 3.19Å; L493-S496 PolarHBondContact O-N 3.04Å; L493-S496 VanDerWaalsContact O-N 3.13Å; L493-S496 PolarHBondContact O-OG 2.93Å; L493-T497 PolarHBondContact O-N 3.38Å; L493-T497 PolarHBondContact O-OG1 3.04Å; L493-F509 HydrophobicContact CB-CE1 4.28Å; L493-F509 HydrophobicContact CD2-CD1 3.88Å; L493-F509 HydrophobicContact CD2-CE1 4.13Å; L493-F509 HydrophobicContact CG-CD1 4.4Å; L493-F509 HydrophobicContact CG-CE1 4.2Å
494	A	92.3	Very high	90.8	Very high	3 Å²	3	67.5 Å²	67.5	3%	0.025	38%	0.376	C	S	.	.	H	α-helix	trans	-56.7	-41.6	177.1	0	0	0	0	0	112.9	L490 Y491 T497 H498 L501 Y507 F509 L525	L490-A494 PolarHBondContact O-N 3.15Å; Y491-A494 PolarHBondContact O-N 2.91Å; A494-T497 PolarHBondContact O-N 3.14Å; A494-H498 WeakPolarHBondContact O-CB 3.23Å; A494-H498 PolarHBondContact O-N 3.07Å; A494-L501 HydrophobicContact CB-CD2 3.78Å; A494-Y507 HydrophobicContact CB-CD1 3.71Å; A494-Y507 HydrophobicContact CB-CE1 4.26Å; A494-Y507 HydrophobicContact CB-CG 4.27Å; A494-F509 HydrophobicContact CB-CE1 4.22Å; A494-F509 HydrophobicContact CB-CZ 3.92Å; A494-L525 HydrophobicContact CB-CD1 4.26Å
495	K	92	Very high	90.6	Very high	96 Å²	96	70.4 Å²	70.4	42%	0.417	39%	0.388	S	S	.	.	H	α-helix	trans	-68.1	-35.6	178.5	-163	164.2	-171.5	164.8	0	112.3	Y491 N492 L493 G499 L501	Y491-K495 HydrophobicContact CD1-CD 4.3Å; Y491-K495 HydrophobicContact CE1-CD 3.5Å; Y491-K495 VanDerWaalsContact CE1-CD 3.5Å; Y491-K495 WeakPolarHBondContact O-CB 3.26Å; Y491-K495 PolarHBondContact O-N 3.33Å; Y491-K495 PolarHBondContact OH-NZ 2.97Å; N492-K495 PolarHBondContact O-N 2.93Å; L493-K495 VanDerWaalsContact C-N 3.3Å; L493-K495 PolarHBondContact O-N 3.19Å; K495-G499 WeakPolarHBondContact CA-O 3.22Å; K495-G499 WeakPolarHBondContact CG-O 3.26Å; K495-G499 VanDerWaalsContact O-CA 3.22Å; K495-G499 WeakPolarHBondContact O-CA 3.12Å; K495-G499 PolarHBondContact O-N 3.19Å; K495-L501 HydrophobicContact CB-CD2 4.47Å
496	S	90.9	Very high	90.6	Very high	93 Å²	93	72.8 Å²	72.8	65%	0.65	40%	0.396	S	S	*	.	H	α-helix	trans	-73.3	-37.8	175.1	72.5	0	0	0	0	113	N492 L493	N492-S496 VanDerWaalsContact O-CB 3.32Å; N492-S496 WeakPolarHBondContact O-CB 3.28Å; N492-S496 PolarHBondContact O-N 2.99Å; N492-S496 PolarHBondContact O-OG 3.3Å; L493-S496 PolarHBondContact O-N 3.04Å; L493-S496 VanDerWaalsContact O-N 3.13Å; L493-S496 PolarHBondContact O-OG 2.93Å
497	T	89.9	Confident	90.7	Very high	87 Å²	87	69.7 Å²	69.7	53%	0.534	38%	0.375	S	S	.	.	H	α-helix	trans	-80.4	-23	-178.6	-50	0	0	0	0	113.4	L493 A494	L493-T497 PolarHBondContact O-N 3.38Å; L493-T497 PolarHBondContact O-OG1 3.04Å; A494-T497 PolarHBondContact O-N 3.14Å
498	H	87.7	Confident	90.8	Very high	90 Å²	90	70.7 Å²	70.7	42%	0.417	37%	0.374	S	S	.	.	H	α-helix	trans	-131.8	0.5	-173.4	-59.4	-47.2	0	0	0	115.7	A494 K505 Y507	A494-H498 WeakPolarHBondContact O-CB 3.23Å; A494-H498 PolarHBondContact O-N 3.07Å; H498-K505 PolarHBondContact CD2-NZ 3.15Å; H498-K505 PolarHBondContact CE1-NZ 3.39Å; H498-K505 VanDerWaalsContact CE1-NZ 3.26Å; H498-K505 VanDerWaalsContact CG-NZ 3.25Å; H498-K505 PolarHBondContact ND1-NZ 3.41Å; H498-K505 VanDerWaalsContact ND1-NZ 3.17Å; H498-K505 PolarHBondContact NE2-NZ 3.28Å; H498-Y507 HydrophobicContact CB-CE1 4.14Å; H498-Y507 AromaticContact CD2-CD1 3.52Å; H498-Y507 AromaticContact CD2-CE1 3.53Å
499	G	87.5	Confident	90.9	Very high	40 Å²	40	71 Å²	71	41%	0.412	37%	0.373	S	S	.	.	S	Bend	trans	72.6	-130.2	-175.4	0	0	0	0	0	111.7	K495 L501	K495-G499 WeakPolarHBondContact CA-O 3.22Å; K495-G499 WeakPolarHBondContact CG-O 3.26Å; K495-G499 VanDerWaalsContact O-CA 3.22Å; K495-G499 WeakPolarHBondContact O-CA 3.12Å; K495-G499 PolarHBondContact O-N 3.19Å; G499-L501 PolarHBondContact O-N 3.45Å
500	Q	88.5	Confident	90.5	Very high	174 Å²	174	68.9 Å²	68.9	81%	0.813	37%	0.374	S	S	*	.	S	Bend	trans	-68.3	130.9	-178.7	-169	169.1	5.3	0	0	111.4
501	L	91.4	Very high	90	Very high	12 Å²	12	76.8 Å²	76.8	6%	0.063	42%	0.416	C	S	.	.			trans	-71.6	143.6	177.8	-57.5	-178.5	0	0	0	110.8	Y491 A494 K495 G499 Y507 Y518 L525	Y491-L501 HydrophobicContact CD2-CD1 3.9Å; Y491-L501 HydrophobicContact CE1-CD1 4.46Å; Y491-L501 HydrophobicContact CE2-CD1 3.6Å; Y491-L501 HydrophobicContact CG-CD1 4.45Å; A494-L501 HydrophobicContact CB-CD2 3.78Å; K495-L501 HydrophobicContact CB-CD2 4.47Å; G499-L501 PolarHBondContact O-N 3.45Å; L501-Y507 WeakPolarHBondContact CA-OH 3.45Å; L501-Y507 HydrophobicContact CD2-CD1 4.35Å; L501-Y507 HydrophobicContact CD2-CE1 3.67Å; L501-Y507 HydrophobicContact CD2-CE2 4.48Å; L501-Y518 HydrophobicContact CB-CD1 3.66Å; L501-Y518 HydrophobicContact CB-CD2 3.82Å; L501-Y518 HydrophobicContact CB-CE1 3.79Å; L501-Y518 HydrophobicContact CB-CE2 3.96Å; L501-Y518 HydrophobicContact CB-CG 3.67Å; L501-Y518 HydrophobicContact CD1-CD2 3.7Å; L501-Y518 HydrophobicContact CD1-CE2 3.84Å; L501-Y518 HydrophobicContact CD1-CG 4.33Å; L501-Y518 HydrophobicContact CG-CD2 4.42Å; L501-L525 HydrophobicContact CD1-CD2 4.25Å
502	R	89.9	Confident	89.5	Confident	147 Å²	147	79.2 Å²	79.2	56%	0.555	43%	0.429	S	S	*	.			trans	-129.7	142	-176.2	-66.3	171.4	55.9	140.6	-3.9	110.5	D504 K505 Y507	R502-D504 VanDerWaalsContact C-N 3.31Å; R502-D504 VanDerWaalsContact CB-OD1 3.26Å; R502-D504 WeakPolarHBondContact CB-OD1 3.25Å; R502-D504 IonicContact CZ-OD1 2.66Å; R502-D504 IonicContact CZ-OD2 3.49Å; R502-D504 IonicContact NE-OD1 3.74Å; R502-D504 PolarHBondContact NE-OD1 2.94Å; R502-D504 IonicContact NE-OD2 3.76Å; R502-D504 IonicContact NH2-OD1 2.69Å; R502-D504 PolarHBondContact NH2-OD1 3.09Å; R502-D504 IonicContact NH2-OD2 3.05Å; R502-D504 PolarHBondContact NH2-OD2 3.02Å; R502-D504 PolarHBondContact O-N 3.07Å; R502-K505 HydrophobicContact CB-CB 4.49Å; R502-Y507 PolarHBondContact N-OH 2.89Å
503	T	89.6	Confident	89.2	Confident	85 Å²	85	78 Å²	78	52%	0.521	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-23	-178.9	53	0	0	0	0	113.4	K505 Y518 S520	T503-K505 VanDerWaalsContact C-N 3.32Å; T503-Y518 HydrophobicContact CG2-CD1 4.26Å; T503-Y518 WeakPolarHBondContact CG2-O 3.13Å; T503-S520 VanDerWaalsContact CG2-OG 3.29Å; T503-S520 WeakPolarHBondContact CG2-OG 3.49Å
504	D	88.4	Confident	89.1	Confident	110 Å²	110	74.2 Å²	74.2	59%	0.588	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	7.5	-178.7	72.5	-35.6	0	0	0	114	R502	R502-D504 VanDerWaalsContact C-N 3.31Å; R502-D504 VanDerWaalsContact CB-OD1 3.26Å; R502-D504 WeakPolarHBondContact CB-OD1 3.25Å; R502-D504 IonicContact CZ-OD1 2.66Å; R502-D504 IonicContact CZ-OD2 3.49Å; R502-D504 IonicContact NE-OD1 3.74Å; R502-D504 PolarHBondContact NE-OD1 2.94Å; R502-D504 IonicContact NE-OD2 3.76Å; R502-D504 IonicContact NH2-OD1 2.69Å; R502-D504 PolarHBondContact NH2-OD1 3.09Å; R502-D504 IonicContact NH2-OD2 3.05Å; R502-D504 PolarHBondContact NH2-OD2 3.02Å; R502-D504 PolarHBondContact O-N 3.07Å
505	K	89	Confident	89.1	Confident	74 Å²	74	75.1 Å²	75.1	32%	0.322	41%	0.408	S	S	.	.			trans	-125	135.8	-176	-175	178	175.2	-171.8	0	112	H498 R502 T503 Y507	H498-K505 PolarHBondContact CD2-NZ 3.15Å; H498-K505 PolarHBondContact CE1-NZ 3.39Å; H498-K505 VanDerWaalsContact CE1-NZ 3.26Å; H498-K505 VanDerWaalsContact CG-NZ 3.25Å; H498-K505 PolarHBondContact ND1-NZ 3.41Å; H498-K505 VanDerWaalsContact ND1-NZ 3.17Å; H498-K505 PolarHBondContact NE2-NZ 3.28Å; R502-K505 HydrophobicContact CB-CB 4.49Å; T503-K505 VanDerWaalsContact C-N 3.32Å; K505-Y507 HydrophobicContact CB-CE2 4.12Å; K505-Y507 HydrophobicContact CD-CE1 4.19Å; K505-Y507 HydrophobicContact CG-CE2 4.31Å; K505-Y507 VanDerWaalsContact O-CD2 3.3Å; K505-Y507 WeakPolarHBondContact O-CD2 3.44Å; K505-Y507 WeakPolarHBondContact O-CE2 3.43Å
506	N	91.8	Very high	89.1	Confident	81 Å²	81	70.5 Å²	70.5	43%	0.433	39%	0.388	S	S	.	.			trans	-88.8	138.6	166.7	-72.6	-4.4	0	0	0	111.3	V515 C516 L531	N506-V515 HydrophobicContact CB-CG1 3.93Å; N506-C516 CarbonylContact C-O 3.6Å; N506-C516 WeakPolarHBondContact CA-O 3.48Å; N506-L531 VanDerWaalsContact ND2-CD1 3.32Å; N506-L531 WeakPolarHBondContact ND2-CD1 3.47Å
507	Y	92.8	Very high	89.3	Confident	3 Å²	3	68 Å²	68	1%	0.012	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	116.1	-176.9	-65.5	-87.7	0	0	0	108.6	A494 H498 L501 R502 K505 V515 C516 L525	A494-Y507 HydrophobicContact CB-CD1 3.71Å; A494-Y507 HydrophobicContact CB-CE1 4.26Å; A494-Y507 HydrophobicContact CB-CG 4.27Å; H498-Y507 HydrophobicContact CB-CE1 4.14Å; H498-Y507 AromaticContact CD2-CD1 3.52Å; H498-Y507 AromaticContact CD2-CE1 3.53Å; L501-Y507 WeakPolarHBondContact CA-OH 3.45Å; L501-Y507 HydrophobicContact CD2-CD1 4.35Å; L501-Y507 HydrophobicContact CD2-CE1 3.67Å; L501-Y507 HydrophobicContact CD2-CE2 4.48Å; R502-Y507 PolarHBondContact N-OH 2.89Å; K505-Y507 HydrophobicContact CB-CE2 4.12Å; K505-Y507 HydrophobicContact CD-CE1 4.19Å; K505-Y507 HydrophobicContact CG-CE2 4.31Å; K505-Y507 VanDerWaalsContact O-CD2 3.3Å; K505-Y507 WeakPolarHBondContact O-CD2 3.44Å; K505-Y507 WeakPolarHBondContact O-CE2 3.43Å; Y507-V515 CarbonylContact O-C 3.51Å; Y507-V515 WeakPolarHBondContact O-CA 3.41Å; Y507-C516 PolarHBondContact N-O 3.42Å; Y507-C516 PolarHBondContact O-N 3.26Å; Y507-L525 HydrophobicContact CD2-CD2 4.17Å; Y507-L525 HydrophobicContact CG-CD2 4.43Å
508	S	91	Very high	89.5	Confident	79 Å²	79	65.4 Å²	65.4	55%	0.552	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	135.5	-177.9	-176.3	0	0	0	0	111.2
509	F	90.7	Very high	89.7	Confident	11 Å²	11	62.6 Å²	62.6	5%	0.048	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	81.6	178.8	-55.1	-80.5	0	0	0	109.3	L490 L493 A494 L511 N512 N513 L514 C516 L525	L490-F509 HydrophobicContact CB-CE1 4.04Å; L490-F509 HydrophobicContact CB-CE2 4.3Å; L490-F509 HydrophobicContact CB-CZ 3.89Å; L490-F509 HydrophobicContact CD2-CB 4.47Å; L490-F509 HydrophobicContact CD2-CD1 3.88Å; L490-F509 HydrophobicContact CD2-CE1 4.2Å; L490-F509 HydrophobicContact CD2-CG 4.09Å; L490-F509 WeakPolarHBondContact O-CE1 3.32Å; L490-F509 WeakPolarHBondContact O-CZ 3.37Å; L493-F509 HydrophobicContact CB-CE1 4.28Å; L493-F509 HydrophobicContact CD2-CD1 3.88Å; L493-F509 HydrophobicContact CD2-CE1 4.13Å; L493-F509 HydrophobicContact CG-CD1 4.4Å; L493-F509 HydrophobicContact CG-CE1 4.2Å; A494-F509 HydrophobicContact CB-CE1 4.22Å; A494-F509 HydrophobicContact CB-CZ 3.92Å; F509-L511 VanDerWaalsContact C-N 3.3Å; F509-L511 PolarHBondContact O-N 2.9Å; F509-N512 HydrophobicContact CB-CB 4.15Å; F509-N512 CarbonylContact O-C 3.52Å; F509-N512 PolarHBondContact O-N 3.15Å; F509-N513 PolarHBondContact O-N 3.2Å; F509-L514 HydrophobicContact CB-CB 4.35Å; F509-L514 HydrophobicContact CD2-CB 4.38Å; F509-L514 HydrophobicContact CD2-CD2 4.43Å; F509-L514 PolarHBondContact N-O 3.25Å; F509-L514 PolarHBondContact O-N 3.28Å; F509-C516 HydrophobicContact CE2-CB 4.23Å; F509-L525 HydrophobicContact CE2-CD1 4.01Å; F509-L525 HydrophobicContact CZ-CD1 3.65Å
510	P	84.4	Confident	89.9	Confident	97 Å²	97	64.1 Å²	64.1	63%	0.63	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-56.9	-38.8	-173	-28.3	36.3	0	0	0	113.9	N512 N513	P510-N512 PolarHBondContact O-N 3.18Å; P510-N512 VanDerWaalsContact O-N 3.17Å; P510-N513 PolarHBondContact O-N 2.87Å; P510-N513 PolarHBondContact O-OD1 2.91Å
511	L	82.4	Confident	90.1	Very high	172 Å²	172	62.2 Å²	62.2	90%	0.901	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-65.2	-16.6	177.6	-60.9	177.8	0	0	0	114.1	F509	F509-L511 VanDerWaalsContact C-N 3.3Å; F509-L511 PolarHBondContact O-N 2.9Å
512	N	83.7	Confident	90	Very high	55 Å²	55	68.7 Å²	68.7	29%	0.294	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-110.8	-0.9	175.4	-62.2	96.5	0	0	0	112.1	F509 P510 L514	F509-N512 HydrophobicContact CB-CB 4.15Å; F509-N512 CarbonylContact O-C 3.52Å; F509-N512 PolarHBondContact O-N 3.15Å; P510-N512 PolarHBondContact O-N 3.18Å; P510-N512 VanDerWaalsContact O-N 3.17Å; N512-L514 HydrophobicContact CB-CB 4.15Å; N512-L514 PolarHBondContact O-N 3.16Å
513	N	86	Confident	90.1	Very high	48 Å²	48	64.3 Å²	64.3	26%	0.257	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	30.7	-173	-36.6	-81.1	0	0	0	114	F509 P510 S532 N533 T535	F509-N513 PolarHBondContact O-N 3.2Å; P510-N513 PolarHBondContact O-N 2.87Å; P510-N513 PolarHBondContact O-OD1 2.91Å; N513-S532 WeakPolarHBondContact O-CB 3.27Å; N513-N533 WeakPolarHBondContact CB-O 3.45Å; N513-N533 PolarHBondContact O-N 2.94Å; N513-T535 HydrophobicContact CB-CG2 4.26Å; N513-T535 PolarHBondContact ND2-OG1 3.3Å; N513-T535 WeakPolarHBondContact OD1-CB 3.24Å; N513-T535 WeakPolarHBondContact OD1-CG2 3.45Å; N513-T535 PolarHBondContact OD1-OG1 3.41Å
514	L	91	Very high	90.3	Very high	1 Å²	1	62 Å²	62	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.7	-168	-160.5	75	0	0	0	111.3	V479 L484 L490 F509 N512 C516 P527 Y529	V479-L514 HydrophobicContact CB-CD2 4.45Å; V479-L514 HydrophobicContact CG1-CD2 4.16Å; V479-L514 HydrophobicContact CG2-CD1 3.65Å; V479-L514 HydrophobicContact CG2-CD2 3.8Å; V479-L514 HydrophobicContact CG2-CG 4.34Å; L484-L514 HydrophobicContact CD2-CD2 4.37Å; L490-L514 HydrophobicContact CD1-CD2 3.72Å; F509-L514 HydrophobicContact CB-CB 4.35Å; F509-L514 HydrophobicContact CD2-CB 4.38Å; F509-L514 HydrophobicContact CD2-CD2 4.43Å; F509-L514 PolarHBondContact N-O 3.25Å; F509-L514 PolarHBondContact O-N 3.28Å; N512-L514 HydrophobicContact CB-CB 4.15Å; N512-L514 PolarHBondContact O-N 3.16Å; L514-C516 VanDerWaalsContact CD2-SG 3.51Å; L514-P527 HydrophobicContact CD1-CB 4.05Å; L514-P527 HydrophobicContact CD2-CB 4.48Å; L514-P527 HydrophobicContact CD2-CG 4.4Å; L514-P527 HydrophobicContact CG-CB 4.38Å; L514-Y529 HydrophobicContact CD1-CD1 4.36Å; L514-Y529 HydrophobicContact CD1-CE1 3.84Å
515	V	92.1	Very high	90.6	Very high	22 Å²	22	56.9 Å²	56.9	13%	0.133	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.4	166.1	-176.9	0	0	0	0	107.8	N506 Y507 P527 D528 L531 S532	N506-V515 HydrophobicContact CB-CG1 3.93Å; Y507-V515 CarbonylContact O-C 3.51Å; Y507-V515 WeakPolarHBondContact O-CA 3.41Å; V515-P527 CarbonylContact O-C 3.52Å; V515-P527 WeakPolarHBondContact O-CA 3.5Å; V515-D528 PolarHBondContact O-N 3.3Å; V515-L531 HydrophobicContact CB-CB 3.99Å; V515-L531 HydrophobicContact CG1-CB 4.18Å; V515-L531 HydrophobicContact CG1-CD1 4.11Å; V515-L531 HydrophobicContact CG2-CB 4.06Å; V515-S532 PolarHBondContact N-OG 3.03Å; V515-S532 PolarHBondContact O-OG 2.92Å
516	C	93.3	Very high	90.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.7	175.9	-57.6	0	0	0	0	111.4	N506 Y507 F509 L514 L525 V526	N506-C516 CarbonylContact C-O 3.6Å; N506-C516 WeakPolarHBondContact CA-O 3.48Å; Y507-C516 PolarHBondContact N-O 3.42Å; Y507-C516 PolarHBondContact O-N 3.26Å; F509-C516 HydrophobicContact CE2-CB 4.23Å; L514-C516 VanDerWaalsContact CD2-SG 3.51Å; C516-L525 HydrophobicContact CB-CB 4.01Å; C516-L525 HydrophobicContact CB-CD2 4.3Å; C516-V526 CarbonylContact C-O 3.58Å; C516-V526 WeakPolarHBondContact CA-O 3.45Å; C516-V526 WeakPolarHBondContact CB-O 3.48Å
517	S	93.6	Very high	90.7	Very high	39 Å²	39	53.5 Å²	53.5	27%	0.273	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	179.2	155.5	61.8	0	0	0	0	109.6	L525 V526	S517-L525 WeakPolarHBondContact O-CA 3.33Å; S517-V526 PolarHBondContact N-O 3.12Å; S517-V526 PolarHBondContact O-N 3.49Å; S517-V526 PolarHBondContact OG-O 3.26Å
518	Y	94.4	Very high	90.6	Very high	33 Å²	33	56 Å²	56	13%	0.129	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.9	176.7	169.7	-113.9	0	0	0	110.3	Y491 L501 T503 D523 V524 L525	Y491-Y518 HydrophobicContact CE2-CE2 4.22Å; L501-Y518 HydrophobicContact CB-CD1 3.66Å; L501-Y518 HydrophobicContact CB-CD2 3.82Å; L501-Y518 HydrophobicContact CB-CE1 3.79Å; L501-Y518 HydrophobicContact CB-CE2 3.96Å; L501-Y518 HydrophobicContact CB-CG 3.67Å; L501-Y518 HydrophobicContact CD1-CD2 3.7Å; L501-Y518 HydrophobicContact CD1-CE2 3.84Å; L501-Y518 HydrophobicContact CD1-CG 4.33Å; L501-Y518 HydrophobicContact CG-CD2 4.42Å; T503-Y518 HydrophobicContact CG2-CD1 4.26Å; T503-Y518 WeakPolarHBondContact CG2-O 3.13Å; Y518-D523 WeakPolarHBondContact CE2-OD1 3.48Å; Y518-D523 PolarHBondContact OH-OD1 3.49Å; Y518-V524 WeakPolarHBondContact CD2-O 3.47Å; Y518-L525 HydrophobicContact CD2-CD2 4.48Å
519	D	92.6	Very high	90.4	Very high	32 Å²	32	53.8 Å²	53.8	17%	0.171	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	103.9	172.8	179	-17.5	0	0	0	108.9	V521 K522 D523 V524 V526	D519-V521 VanDerWaalsContact C-N 3.26Å; D519-V521 PolarHBondContact O-N 2.89Å; D519-V521 WeakPolarHBondContact OD1-CA 3.42Å; D519-V521 WeakPolarHBondContact OD1-CB 3.42Å; D519-V521 PolarHBondContact OD1-N 3.15Å; D519-K522 PolarHBondContact O-N 3.21Å; D519-K522 PolarHBondContact OD1-N 3.12Å; D519-K522 VanDerWaalsContact OD1-N 3.08Å; D519-K522 WeakPolarHBondContact OD2-CD 3.19Å; D519-K522 WeakPolarHBondContact OD2-CG 3.41Å; D519-K522 IonicContact OD2-NZ 3.89Å; D519-K522 PolarHBondContact OD2-NZ 2.78Å; D519-D523 WeakPolarHBondContact O-CA 3.12Å; D519-D523 PolarHBondContact O-N 2.68Å; D519-V524 HydrophobicContact CB-CG2 4.18Å; D519-V524 PolarHBondContact N-O 2.81Å; D519-V524 PolarHBondContact O-N 3.28Å; D519-V526 HydrophobicContact CB-CG2 3.75Å
520	S	91.2	Very high	90.1	Very high	71 Å²	71	55.5 Å²	55.5	50%	0.497	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-9.8	-180	62.4	0	0	0	0	114.7	T503	T503-S520 VanDerWaalsContact CG2-OG 3.29Å; T503-S520 WeakPolarHBondContact CG2-OG 3.49Å
521	V	91.8	Very high	90.1	Very high	135 Å²	135	55.4 Å²	55.4	82%	0.818	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-32.9	176.7	-175.8	0	0	0	0	110.1	D519	D519-V521 VanDerWaalsContact C-N 3.26Å; D519-V521 PolarHBondContact O-N 2.89Å; D519-V521 WeakPolarHBondContact OD1-CA 3.42Å; D519-V521 WeakPolarHBondContact OD1-CB 3.42Å; D519-V521 PolarHBondContact OD1-N 3.15Å
522	K	90.3	Very high	90.4	Very high	148 Å²	148	47.2 Å²	47.2	64%	0.643	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-9.6	177	-58.5	-172.2	-163.7	88.5	0	114.3	D519 V524	D519-K522 PolarHBondContact O-N 3.21Å; D519-K522 PolarHBondContact OD1-N 3.12Å; D519-K522 VanDerWaalsContact OD1-N 3.08Å; D519-K522 WeakPolarHBondContact OD2-CD 3.19Å; D519-K522 WeakPolarHBondContact OD2-CG 3.41Å; D519-K522 IonicContact OD2-NZ 3.89Å; D519-K522 PolarHBondContact OD2-NZ 2.78Å; K522-V524 HydrophobicContact CB-CG1 4.33Å; K522-V524 HydrophobicContact CB-CG2 3.97Å
523	D	92.4	Very high	90.4	Very high	55 Å²	55	48.8 Å²	48.8	29%	0.294	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	48.1	-169.6	-167.6	14.4	0	0	0	112.6	P486 Y491 Y518 D519	P486-D523 WeakPolarHBondContact CD-O 3.45Å; P486-D523 HydrophobicContact CG-CB 4.17Å; P486-D523 WeakPolarHBondContact CG-O 3.47Å; P486-D523 WeakPolarHBondContact CG-OD2 3.05Å; Y491-D523 WeakPolarHBondContact CE2-O 3.38Å; Y491-D523 WeakPolarHBondContact CE2-OD1 3.44Å; Y491-D523 VanDerWaalsContact CZ-OD1 3.27Å; Y491-D523 PolarHBondContact OH-OD1 3.32Å; Y491-D523 PolarHBondContact OH-OD2 3.33Å; Y518-D523 WeakPolarHBondContact CE2-OD1 3.48Å; Y518-D523 PolarHBondContact OH-OD1 3.49Å; D519-D523 WeakPolarHBondContact O-CA 3.12Å; D519-D523 PolarHBondContact O-N 2.68Å
524	V	93.9	Very high	90.4	Very high	36 Å²	36	47.4 Å²	47.4	22%	0.218	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	151.9	179	-55.7	0	0	0	0	112.5	A485 Y518 D519 K522 V526	A485-V524 HydrophobicContact CB-CG1 4.25Å; Y518-V524 WeakPolarHBondContact CD2-O 3.47Å; D519-V524 HydrophobicContact CB-CG2 4.18Å; D519-V524 PolarHBondContact N-O 2.81Å; D519-V524 PolarHBondContact O-N 3.28Å; K522-V524 HydrophobicContact CB-CG1 4.33Å; K522-V524 HydrophobicContact CB-CG2 3.97Å; V524-V526 HydrophobicContact CG2-CG2 4.07Å
525	L	93.8	Very high	90	Very high	3 Å²	3	51 Å²	51	2%	0.016	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	133.7	162.1	-68.9	179.2	0	0	0	110	L484 L490 Y491 A494 L501 Y507 F509 C516 S517 Y518	L484-L525 HydrophobicContact CB-CB 4.24Å; L484-L525 HydrophobicContact CD2-CB 3.85Å; L484-L525 PolarHBondContact O-N 3.12Å; L490-L525 HydrophobicContact CB-CD1 4.3Å; Y491-L525 HydrophobicContact CD2-CG 4.45Å; A494-L525 HydrophobicContact CB-CD1 4.26Å; L501-L525 HydrophobicContact CD1-CD2 4.25Å; Y507-L525 HydrophobicContact CD2-CD2 4.17Å; Y507-L525 HydrophobicContact CG-CD2 4.43Å; F509-L525 HydrophobicContact CE2-CD1 4.01Å; F509-L525 HydrophobicContact CZ-CD1 3.65Å; C516-L525 HydrophobicContact CB-CB 4.01Å; C516-L525 HydrophobicContact CB-CD2 4.3Å; S517-L525 WeakPolarHBondContact O-CA 3.33Å; Y518-L525 HydrophobicContact CD2-CD2 4.48Å
526	V	91.8	Very high	89.6	Confident	59 Å²	59	51.4 Å²	51.4	36%	0.358	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114	177.1	-179.2	0	0	0	0	108.4	C516 S517 D519 V524 D528	C516-V526 CarbonylContact C-O 3.58Å; C516-V526 WeakPolarHBondContact CA-O 3.45Å; C516-V526 WeakPolarHBondContact CB-O 3.48Å; S517-V526 PolarHBondContact N-O 3.12Å; S517-V526 PolarHBondContact O-N 3.49Å; S517-V526 PolarHBondContact OG-O 3.26Å; D519-V526 HydrophobicContact CB-CG2 3.75Å; V524-V526 HydrophobicContact CG2-CG2 4.07Å; V526-D528 PolarHBondContact O-N 3.19Å
527	P	91.6	Very high	89.2	Confident	25 Å²	25	51.4 Å²	51.4	16%	0.162	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	128.8	-179.6	-23.1	34.1	0	0	0	113.2	L484 L514 V515 Y529	L484-P527 HydrophobicContact CD1-CG 3.6Å; L484-P527 HydrophobicContact CD2-CG 4.06Å; L514-P527 HydrophobicContact CD1-CB 4.05Å; L514-P527 HydrophobicContact CD2-CB 4.48Å; L514-P527 HydrophobicContact CD2-CG 4.4Å; L514-P527 HydrophobicContact CG-CB 4.38Å; V515-P527 CarbonylContact O-C 3.52Å; V515-P527 WeakPolarHBondContact O-CA 3.5Å; P527-Y529 HydrophobicContact CB-CD1 4.44Å; P527-Y529 HydrophobicContact CB-CD2 4.09Å; P527-Y529 HydrophobicContact CB-CE1 3.99Å; P527-Y529 HydrophobicContact CB-CE2 3.59Å; P527-Y529 HydrophobicContact CB-CG 4.5Å; P527-Y529 HydrophobicContact CG-CE2 4.2Å; P527-Y529 PolarHBondContact O-N 2.88Å
528	D	89.8	Confident	88.7	Confident	56 Å²	56	52.8 Å²	52.8	30%	0.299	30%	0.303	S	S	.	.			trans	-89.3	94.7	166.9	-175	-28.5	0	0	0	108.3	V515 V526 G530 L531 S532	V515-D528 PolarHBondContact O-N 3.3Å; V526-D528 PolarHBondContact O-N 3.19Å; D528-G530 PolarHBondContact O-N 3.08Å; D528-G530 VanDerWaalsContact OD1-CA 3.26Å; D528-G530 WeakPolarHBondContact OD1-CA 3.47Å; D528-G530 PolarHBondContact OD1-N 3.35Å; D528-L531 HydrophobicContact CB-CB 4.37Å; D528-L531 HydrophobicContact CB-CD1 4.48Å; D528-L531 PolarHBondContact O-N 2.93Å; D528-L531 PolarHBondContact OD1-N 3.06Å; D528-L531 VanDerWaalsContact OD2-CD1 3.32Å; D528-L531 WeakPolarHBondContact OD2-CD1 3.35Å; D528-L531 WeakPolarHBondContact OD2-CG 3.31Å; D528-S532 WeakPolarHBondContact O-CB 3.26Å; D528-S532 PolarHBondContact O-N 3.47Å; D528-S532 PolarHBondContact O-OG 3.34Å
529	Y	88	Confident	87.8	Confident	31 Å²	31	51.9 Å²	51.9	12%	0.122	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-1.4	176.1	-63.2	-69.9	0	0	0	113.9	D462 R464 L477 L514 P527 K547	D462-Y529 HydrophobicContact CB-CD2 4.45Å; D462-Y529 WeakPolarHBondContact O-CB 3.4Å; D462-Y529 WeakPolarHBondContact O-CD2 2.96Å; R464-Y529 VanDerWaalsContact CD-CZ 3.4Å; R464-Y529 HydrophobicContact CG-CD1 3.8Å; R464-Y529 HydrophobicContact CG-CD2 3.73Å; R464-Y529 HydrophobicContact CG-CE1 3.87Å; R464-Y529 HydrophobicContact CG-CE2 3.82Å; R464-Y529 HydrophobicContact CG-CG 3.72Å; L477-Y529 HydrophobicContact CD2-CD1 4.13Å; L477-Y529 HydrophobicContact CD2-CE1 4.41Å; L477-Y529 HydrophobicContact CG-CD1 4.29Å; L477-Y529 HydrophobicContact CG-CE1 4.13Å; L477-Y529 VanDerWaalsContact O-CE1 3.3Å; L477-Y529 WeakPolarHBondContact O-CE1 3.29Å; L514-Y529 HydrophobicContact CD1-CD1 4.36Å; L514-Y529 HydrophobicContact CD1-CE1 3.84Å; P527-Y529 HydrophobicContact CB-CD1 4.44Å; P527-Y529 HydrophobicContact CB-CD2 4.09Å; P527-Y529 HydrophobicContact CB-CE1 3.99Å; P527-Y529 HydrophobicContact CB-CE2 3.59Å; P527-Y529 HydrophobicContact CB-CG 4.5Å; P527-Y529 HydrophobicContact CG-CE2 4.2Å; P527-Y529 PolarHBondContact O-N 2.88Å; Y529-K547 PolarHBondContact O-NZ 3.24Å
530	G	84.5	Confident	86.7	Confident	47 Å²	47	52.6 Å²	52.6	49%	0.485	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-50.9	162.8	0	0	0	0	0	110	D528 K547	D528-G530 PolarHBondContact O-N 3.08Å; D528-G530 VanDerWaalsContact OD1-CA 3.26Å; D528-G530 WeakPolarHBondContact OD1-CA 3.47Å; D528-G530 PolarHBondContact OD1-N 3.35Å; G530-K547 PolarHBondContact O-NZ 3.02Å; G530-K547 VanDerWaalsContact O-NZ 3.16Å
531	L	85.1	Confident	86	Confident	95 Å²	95	55.8 Å²	55.8	50%	0.497	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-27.8	179.1	-61.8	179.8	0	0	0	114.1	N506 V515 D528	N506-L531 VanDerWaalsContact ND2-CD1 3.32Å; N506-L531 WeakPolarHBondContact ND2-CD1 3.47Å; V515-L531 HydrophobicContact CB-CB 3.99Å; V515-L531 HydrophobicContact CG1-CB 4.18Å; V515-L531 HydrophobicContact CG1-CD1 4.11Å; V515-L531 HydrophobicContact CG2-CB 4.06Å; D528-L531 HydrophobicContact CB-CB 4.37Å; D528-L531 HydrophobicContact CB-CD1 4.48Å; D528-L531 PolarHBondContact O-N 2.93Å; D528-L531 PolarHBondContact OD1-N 3.06Å; D528-L531 VanDerWaalsContact OD2-CD1 3.32Å; D528-L531 WeakPolarHBondContact OD2-CD1 3.35Å; D528-L531 WeakPolarHBondContact OD2-CG 3.31Å
532	S	87.6	Confident	85.1	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.007	28%	0.282	C	S	.	.			trans	-75.9	145	173.2	-48.6	0	0	0	0	111.3	N513 V515 D528 K547	N513-S532 WeakPolarHBondContact O-CB 3.27Å; V515-S532 PolarHBondContact N-OG 3.03Å; V515-S532 PolarHBondContact O-OG 2.92Å; D528-S532 WeakPolarHBondContact O-CB 3.26Å; D528-S532 PolarHBondContact O-N 3.47Å; D528-S532 PolarHBondContact O-OG 3.34Å; S532-K547 WeakPolarHBondContact O-CE 3.39Å; S532-K547 PolarHBondContact O-NZ 3.42Å
533	N	83.8	Confident	84.7	Confident	88 Å²	88	47.6 Å²	47.6	47%	0.471	28%	0.279	S	S	.	.			trans	-141.8	136.4	176.8	-73.1	-52	0	0	0	109.8	N513 K547	N513-N533 WeakPolarHBondContact CB-O 3.45Å; N513-N533 PolarHBondContact O-N 2.94Å; N533-K547 WeakPolarHBondContact OD1-CE 3.21Å; N533-K547 PolarHBondContact OD1-NZ 2.95Å
534	L	86.3	Confident	84.2	Confident	19 Å²	19	45.2 Å²	45.2	10%	0.099	27%	0.267	C	S	.	.			trans	-69.4	132.1	170.6	-172	67.6	0	0	0	109.6	H466 S475 L477 A536 V545	H466-L534 HydrophobicContact CB-CB 4.45Å; H466-L534 HydrophobicContact CB-CD2 4.16Å; H466-L534 PolarHBondContact NE2-N 3.34Å; S475-L534 VanDerWaalsContact CB-CD2 3.46Å; L477-L534 HydrophobicContact CD1-CD1 4.2Å; L534-A536 WeakPolarHBondContact CD2-O 3.39Å; L534-A536 VanDerWaalsContact CG-O 3.27Å; L534-A536 WeakPolarHBondContact CG-O 3.5Å; L534-V545 HydrophobicContact CB-CG2 4.25Å; L534-V545 HydrophobicContact CD2-CG2 4.49Å; L534-V545 HydrophobicContact CG-CG2 4.32Å; L534-V545 WeakPolarHBondContact O-CG2 3.3Å
535	T	82.6	Confident	84	Confident	75 Å²	75	43.8 Å²	43.8	46%	0.46	26%	0.258	S	S	.	.			trans	-99	-16.9	-177.9	48.8	0	0	0	0	114.5	N513 T543	N513-T535 HydrophobicContact CB-CG2 4.26Å; N513-T535 PolarHBondContact ND2-OG1 3.3Å; N513-T535 WeakPolarHBondContact OD1-CB 3.24Å; N513-T535 WeakPolarHBondContact OD1-CG2 3.45Å; N513-T535 PolarHBondContact OD1-OG1 3.41Å; T535-T543 WeakPolarHBondContact O-CA 3.37Å
536	A	84.4	Confident	83.9	Confident	31 Å²	31	45.7 Å²	45.7	26%	0.256	27%	0.266	S	S	.	.	S	Bend	trans	-147.5	145.5	178.7	0	0	0	0	0	111.1	L534	L534-A536 WeakPolarHBondContact CD2-O 3.39Å; L534-A536 VanDerWaalsContact CG-O 3.27Å; L534-A536 WeakPolarHBondContact CG-O 3.5Å
537	C	83.8	Confident	83.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.255	C	S	.	.			trans	-66.6	136	178.5	-179.9	0	0	0	0	112.7	C468 W539 H541 G542 V545	C468-C537 HydrophobicContact CB-CB 3.91Å; C468-C537 VanDerWaalsContact CB-SG 3.55Å; C537-W539 PolarHBondContact O-N 3.15Å; C537-H541 VanDerWaalsContact O-CA 3.26Å; C537-H541 WeakPolarHBondContact O-CA 3.42Å; C537-H541 PolarHBondContact O-N 2.84Å; C537-G542 PolarHBondContact N-O 3.19Å; C537-V545 HydrophobicContact CB-CG1 3.77Å
538	N	83.1	Confident	83.9	Confident	68 Å²	68	43.6 Å²	43.6	36%	0.364	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	10.7	179	-62.2	-3.5	0	0	0	114.1	S475 E476	S475-N538 PolarHBondContact OG-N 2.69Å; S475-N538 VanDerWaalsContact OG-N 3.11Å; E476-N538 PolarHBondContact O-ND2 2.92Å
539	W	75.3	Confident	84.1	Confident	14 Å²	14	47.9 Å²	47.9	5%	0.053	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	-52.3	-175.4	-59.7	97.2	0	0	0	113.1	P109 Y437 R441 A473 L474 C537	P109-W539 HydrophobicContact CB-CH2 4.44Å; P109-W539 HydrophobicContact CB-CZ3 4.48Å; P109-W539 HydrophobicContact CG-CH2 3.81Å; P109-W539 HydrophobicContact CG-CZ2 4.4Å; P109-W539 HydrophobicContact CG-CZ3 4.13Å; Y437-W539 HydrophobicContact CD1-CD2 4.46Å; Y437-W539 AromaticContact CD1-CE2 3.67Å; Y437-W539 HydrophobicContact CD1-CH2 4.49Å; Y437-W539 AromaticContact CD1-CZ2 3.71Å; Y437-W539 HydrophobicContact CD1-CZ2 3.71Å; Y437-W539 AromaticContact CD1-NE1 3.66Å; Y437-W539 HydrophobicContact CG-CZ2 4.42Å; Y437-W539 VanDerWaalsContact O-CZ2 3.31Å; Y437-W539 WeakPolarHBondContact O-CZ2 3.5Å; R441-W539 VanDerWaalsContact CZ-CH2 3.43Å; R441-W539 VanDerWaalsContact NH1-CH2 3.25Å; A473-W539 HydrophobicContact CB-CB 4.17Å; A473-W539 VanDerWaalsContact CB-CD1 3.5Å; A473-W539 HydrophobicContact CB-CG 3.89Å; L474-W539 PolarHBondContact O-NE1 3.3Å; C537-W539 PolarHBondContact O-N 3.15Å
540	C	69.8	Low	84.2	Confident	48 Å²	48	47 Å²	47	32%	0.324	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-0.2	179.8	69.7	0	0	0	0	114	C468 C471 G542	C468-C540 VanDerWaalsContact SG-SG 3.64Å; C471-C540 HydrophobicContact CB-CB 4.2Å; C471-C540 PolarHBondContact SG-SG 3.13Å; C540-G542 PolarHBondContact O-N 3.06Å
541	H	77	Confident	84.5	Confident	137 Å²	137	48.4 Å²	48.4	63%	0.634	26%	0.259	S	S	*	.			trans	55.4	4.9	-173.8	-56.6	-65.1	0	0	0	116.3	C537	C537-H541 VanDerWaalsContact O-CA 3.26Å; C537-H541 WeakPolarHBondContact O-CA 3.42Å; C537-H541 PolarHBondContact O-N 2.84Å
542	G	72.7	Confident	84.6	Confident	16 Å²	16	45.1 Å²	45.1	17%	0.165	25%	0.247	C	C	.	.			trans	-67.7	143.6	174.7	0	0	0	0	0	112.8	C537 C540	C537-G542 PolarHBondContact N-O 3.19Å; C540-G542 PolarHBondContact O-N 3.06Å
543	T	80.6	Confident	84.7	Confident	95 Å²	95	47.2 Å²	47.2	58%	0.583	26%	0.262	S	S	*	.	S	Bend	trans	-81.2	-20.5	-170.2	50.2	0	0	0	0	114.7	T535 V545	T535-T543 WeakPolarHBondContact O-CA 3.37Å; T543-V545 VanDerWaalsContact C-N 3.27Å; T543-V545 PolarHBondContact O-N 2.91Å
544	S	83.2	Confident	85.1	Confident	5 Å²	5	44 Å²	44	4%	0.035	25%	0.245	C	C	.	.			trans	-75	77.5	177.2	-43.5	0	0	0	0	111.2	C468 L469 G669	C468-S544 WeakPolarHBondContact CA-O 3.32Å; L469-S544 PolarHBondContact N-O 3.43Å; S544-G669 PolarHBondContact OG-O 2.76Å
545	V	88.6	Confident	85.3	Confident	6 Å²	6	45.7 Å²	45.7	4%	0.036	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	142.4	171.6	-68.7	0	0	0	0	110.7	H466 K467 C468 L534 C537 T543	H466-V545 HydrophobicContact CB-CB 4.48Å; K467-V545 WeakPolarHBondContact O-CA 3.18Å; C468-V545 HydrophobicContact CB-CG1 3.91Å; L534-V545 HydrophobicContact CB-CG2 4.25Å; L534-V545 HydrophobicContact CD2-CG2 4.49Å; L534-V545 HydrophobicContact CG-CG2 4.32Å; L534-V545 WeakPolarHBondContact O-CG2 3.3Å; C537-V545 HydrophobicContact CB-CG1 3.77Å; T543-V545 VanDerWaalsContact C-N 3.27Å; T543-V545 PolarHBondContact O-N 2.91Å
546	R	91.7	Very high	85.7	Confident	44 Å²	44	43.9 Å²	43.9	17%	0.166	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146	-174.3	-62.9	-60.5	173.1	-112.7	5.1	111.4	H466 K467 L469 I554 D560	H466-R546 CarbonylContact C-O 3.44Å; H466-R546 WeakPolarHBondContact CA-O 3.39Å; K467-R546 PolarHBondContact N-O 2.89Å; K467-R546 PolarHBondContact O-N 3.27Å; L469-R546 HydrophobicContact CD1-CG 3.95Å; L469-R546 HydrophobicContact CD2-CG 4.28Å; L469-R546 HydrophobicContact CG-CG 4.15Å; R546-I554 HydrophobicContact CB-CG2 3.48Å; R546-I554 VanDerWaalsContact CB-CG2 3.48Å; R546-I554 HydrophobicContact CG-CG2 4.2Å; R546-D560 VanDerWaalsContact CD-OD2 3.3Å; R546-D560 WeakPolarHBondContact CD-OD2 3.44Å; R546-D560 WeakPolarHBondContact CG-OD2 3.48Å; R546-D560 IonicContact CZ-OD1 2.84Å; R546-D560 VanDerWaalsContact CZ-OD1 3.27Å; R546-D560 IonicContact CZ-OD2 3.48Å; R546-D560 VanDerWaalsContact NE-CG 3.29Å; R546-D560 IonicContact NE-OD1 3.78Å; R546-D560 PolarHBondContact NE-OD1 3.36Å; R546-D560 IonicContact NE-OD2 3.62Å; R546-D560 PolarHBondContact NE-OD2 2.87Å; R546-D560 IonicContact NH2-OD1 3.7Å; R546-D560 PolarHBondContact NH2-OD1 3.45Å; R546-D560 IonicContact NH2-OD2 2.69Å
547	K	92.4	Very high	85.9	Confident	29 Å²	29	47 Å²	47	13%	0.126	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	150.2	179.4	-71.9	-179.9	179.4	174	0	111.1	L465 H466 Y529 G530 S532 N533 V555	L465-K547 WeakPolarHBondContact O-CA 3.32Å; H466-K547 WeakPolarHBondContact NE2-CE 3.43Å; H466-K547 WeakPolarHBondContact NE2-CG 3.36Å; Y529-K547 PolarHBondContact O-NZ 3.24Å; G530-K547 PolarHBondContact O-NZ 3.02Å; G530-K547 VanDerWaalsContact O-NZ 3.16Å; S532-K547 WeakPolarHBondContact O-CE 3.39Å; S532-K547 PolarHBondContact O-NZ 3.42Å; N533-K547 WeakPolarHBondContact OD1-CE 3.21Å; N533-K547 PolarHBondContact OD1-NZ 2.95Å; K547-V555 HydrophobicContact CB-CB 4.44Å; K547-V555 HydrophobicContact CB-CG2 4.42Å; K547-V555 PolarHBondContact O-N 3.34Å
548	V	92.8	Very high	86.2	Confident	10 Å²	10	50.7 Å²	50.7	6%	0.061	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-115.8	134.6	-177.3	-164.2	0	0	0	0	110.1	L430 L465 K467 L474 S553	L430-V548 HydrophobicContact CD1-CG1 4.08Å; L430-V548 HydrophobicContact CD2-CG1 4.04Å; L465-V548 PolarHBondContact O-N 3.26Å; L465-V548 VanDerWaalsContact O-N 3.12Å; K467-V548 HydrophobicContact CB-CG2 3.62Å; L474-V548 HydrophobicContact CD1-CG2 4.03Å; V548-S553 WeakPolarHBondContact CA-O 3.33Å; V548-S553 WeakPolarHBondContact CG1-O 3.4Å
549	R	92.3	Very high	86.2	Confident	146 Å²	146	47.5 Å²	47.5	55%	0.551	26%	0.255	S	S	*	.			trans	-84.5	167.2	174.4	-66.2	-176.5	-173.6	-88.5	-0.2	111.1	L430 D551 G552 S553 V555	L430-R549 WeakPolarHBondContact CD2-O 3.4Å; R549-D551 VanDerWaalsContact C-N 3.26Å; R549-D551 WeakPolarHBondContact CB-OD1 3.32Å; R549-D551 PolarHBondContact O-N 3.26Å; R549-G552 PolarHBondContact O-N 3.42Å; R549-S553 WeakPolarHBondContact CD-OG 3.31Å; R549-S553 PolarHBondContact N-O 3.41Å; R549-V555 HydrophobicContact CG-CG2 3.91Å
550	G	90.4	Very high	86.7	Confident	12 Å²	12	47 Å²	47	12%	0.124	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.5	-178.7	0	0	0	0	0	114.3	I426 H427 G552	I426-G550 CarbonylContact C-O 3.51Å; I426-G550 WeakPolarHBondContact CA-O 3.16Å; H427-G550 PolarHBondContact N-O 2.91Å; G550-G552 PolarHBondContact O-N 2.92Å
551	D	90.4	Very high	87.3	Confident	78 Å²	78	47.8 Å²	47.8	42%	0.417	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-4.4	173.5	62	-2.4	0	0	0	113.9	M421 R549 S553	M421-D551 HydrophobicContact CE-CB 4.09Å; R549-D551 VanDerWaalsContact C-N 3.26Å; R549-D551 WeakPolarHBondContact CB-OD1 3.32Å; R549-D551 PolarHBondContact O-N 3.26Å; D551-S553 VanDerWaalsContact C-N 3.31Å; D551-S553 VanDerWaalsContact CG-OG 3.24Å; D551-S553 VanDerWaalsContact OD1-CB 3.24Å; D551-S553 WeakPolarHBondContact OD1-CB 3.18Å; D551-S553 PolarHBondContact OD1-N 2.71Å; D551-S553 PolarHBondContact OD1-OG 3.05Å; D551-S553 PolarHBondContact OD2-OG 3.29Å; D551-S553 VanDerWaalsContact OD2-OG 3.11Å
552	G	87.6	Confident	87.7	Confident	25 Å²	25	41.3 Å²	41.3	26%	0.258	22%	0.22	S	C	.	.	S	Bend	trans	82.8	1.1	-173.7	0	0	0	0	0	114.3	R549 G550	R549-G552 PolarHBondContact O-N 3.42Å; G550-G552 PolarHBondContact O-N 2.92Å
553	S	90.1	Very high	87.8	Confident	45 Å²	45	45.4 Å²	45.4	32%	0.315	24%	0.238	S	C	.	.			trans	-71.1	148.5	175.3	70.4	0	0	0	0	111.6	V548 R549 D551	V548-S553 WeakPolarHBondContact CA-O 3.33Å; V548-S553 WeakPolarHBondContact CG1-O 3.4Å; R549-S553 WeakPolarHBondContact CD-OG 3.31Å; R549-S553 PolarHBondContact N-O 3.41Å; D551-S553 VanDerWaalsContact C-N 3.31Å; D551-S553 VanDerWaalsContact CG-OG 3.24Å; D551-S553 VanDerWaalsContact OD1-CB 3.24Å; D551-S553 WeakPolarHBondContact OD1-CB 3.18Å; D551-S553 PolarHBondContact OD1-N 2.71Å; D551-S553 PolarHBondContact OD1-OG 3.05Å; D551-S553 PolarHBondContact OD2-OG 3.29Å; D551-S553 VanDerWaalsContact OD2-OG 3.11Å
554	I	91.3	Very high	87.7	Confident	21 Å²	21	43 Å²	43	11%	0.108	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-95.8	133	-176.9	-57.8	179.1	0	0	0	109	K467 L469 R546 Y556	K467-I554 HydrophobicContact CB-CD1 4.31Å; K467-I554 HydrophobicContact CD-CD1 4.23Å; K467-I554 HydrophobicContact CG-CD1 4.3Å; L469-I554 HydrophobicContact CD2-CD1 4.09Å; L469-I554 HydrophobicContact CD2-CG2 4.15Å; R546-I554 HydrophobicContact CB-CG2 3.48Å; R546-I554 VanDerWaalsContact CB-CG2 3.48Å; R546-I554 HydrophobicContact CG-CG2 4.2Å; I554-Y556 VanDerWaalsContact C-N 3.27Å; I554-Y556 HydrophobicContact CB-CD1 4.35Å; I554-Y556 HydrophobicContact CB-CD2 4.37Å; I554-Y556 HydrophobicContact CB-CE1 4.06Å; I554-Y556 HydrophobicContact CB-CE2 4.08Å; I554-Y556 HydrophobicContact CD1-CE1 4.29Å; I554-Y556 HydrophobicContact CG2-CD1 3.89Å; I554-Y556 HydrophobicContact CG2-CE1 3.91Å; I554-Y556 HydrophobicContact CG2-CG 4.27Å; I554-Y556 WeakPolarHBondContact O-CD2 3.2Å; I554-Y556 PolarHBondContact O-N 3.16Å
555	V	91	Very high	87.2	Confident	54 Å²	54	48.8 Å²	48.8	33%	0.327	25%	0.246	S	C	.	.			trans	-80.2	80.2	171.1	-172.7	0	0	0	0	108.5	K547 R549	K547-V555 HydrophobicContact CB-CB 4.44Å; K547-V555 HydrophobicContact CB-CG2 4.42Å; K547-V555 PolarHBondContact O-N 3.34Å; R549-V555 HydrophobicContact CG-CG2 3.91Å
556	Y	90.3	Very high	86.5	Confident	37 Å²	37	49.4 Å²	49.4	15%	0.145	25%	0.25	C	S	.	.			trans	-65.7	157.5	175.6	-62.3	-70.1	0	0	0	112.3	L469 I554 D560 T562 N563 F578	L469-Y556 HydrophobicContact CD1-CD1 4.37Å; L469-Y556 HydrophobicContact CD2-CD1 4.17Å; L469-Y556 HydrophobicContact CD2-CE1 3.75Å; I554-Y556 VanDerWaalsContact C-N 3.27Å; I554-Y556 HydrophobicContact CB-CD1 4.35Å; I554-Y556 HydrophobicContact CB-CD2 4.37Å; I554-Y556 HydrophobicContact CB-CE1 4.06Å; I554-Y556 HydrophobicContact CB-CE2 4.08Å; I554-Y556 HydrophobicContact CD1-CE1 4.29Å; I554-Y556 HydrophobicContact CG2-CD1 3.89Å; I554-Y556 HydrophobicContact CG2-CE1 3.91Å; I554-Y556 HydrophobicContact CG2-CG 4.27Å; I554-Y556 WeakPolarHBondContact O-CD2 3.2Å; I554-Y556 PolarHBondContact O-N 3.16Å; Y556-D560 VanDerWaalsContact CA-OD2 3.26Å; Y556-D560 WeakPolarHBondContact CA-OD2 3.45Å; Y556-D560 HydrophobicContact CD1-CB 3.82Å; Y556-D560 HydrophobicContact CG-CB 4.42Å; Y556-T562 HydrophobicContact CD1-CG2 4.4Å; Y556-T562 HydrophobicContact CD2-CG2 4.37Å; Y556-T562 HydrophobicContact CE1-CG2 4.09Å; Y556-T562 HydrophobicContact CE2-CG2 4.06Å; Y556-T562 WeakPolarHBondContact OH-CB 3.44Å; Y556-N563 PolarHBondContact OH-N 3.44Å; Y556-F578 VanDerWaalsContact CB-CG 3.41Å; Y556-F578 HydrophobicContact CD2-CB 4.44Å; Y556-F578 AromaticContact CD2-CD2 3.89Å; Y556-F578 HydrophobicContact CD2-CD2 3.89Å; Y556-F578 HydrophobicContact CD2-CE2 4.39Å; Y556-F578 HydrophobicContact CD2-CG 4.25Å; Y556-F578 HydrophobicContact CG-CB 4.09Å; Y556-F578 HydrophobicContact CG-CD2 4.21Å; Y556-F578 HydrophobicContact CG-CG 4.09Å
557	L	89.4	Confident	85.3	Confident	98 Å²	98	53.4 Å²	53.4	51%	0.513	28%	0.28	S	S	.	.			trans	-114.1	158.8	169	-58.6	180	0	0	0	110	G559 D560	L557-G559 PolarHBondContact O-N 2.92Å; L557-D560 PolarHBondContact N-OD2 3.17Å; L557-D560 VanDerWaalsContact O-CB 3.24Å; L557-D560 WeakPolarHBondContact O-CB 3.3Å; L557-D560 PolarHBondContact O-N 2.93Å
558	D	89.4	Confident	84.1	Confident	77 Å²	77	53.7 Å²	53.7	41%	0.412	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	125.9	178.4	-68.8	-15.9	0	0	0	111.1	F578 W579 D580	D558-F578 WeakPolarHBondContact CA-O 3.27Å; D558-W579 HydrophobicContact CB-CD2 3.83Å; D558-W579 HydrophobicContact CB-CE3 3.93Å; D558-W579 HydrophobicContact CB-CG 4.3Å; D558-W579 HydrophobicContact CB-CH2 4.36Å; D558-W579 HydrophobicContact CB-CZ2 4.26Å; D558-W579 HydrophobicContact CB-CZ3 4.2Å; D558-W579 VanDerWaalsContact OD1-CA 3.29Å; D558-W579 WeakPolarHBondContact OD1-CA 3.14Å; D558-D580 PolarHBondContact OD1-N 3.44Å
559	G	84.3	Confident	83.1	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.01	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.3	-11.2	-174.2	0	0	0	0	0	115.1	L557 R561 F578 A670	L557-G559 PolarHBondContact O-N 2.92Å; G559-R561 PolarHBondContact O-N 2.78Å; G559-F578 PolarHBondContact N-O 2.88Å; G559-A670 WeakPolarHBondContact O-CB 3.48Å
560	D	84.9	Confident	82.2	Confident	4 Å²	4	51 Å²	51	2%	0.021	29%	0.293	C	S	.	.			trans	-62	128.9	176.9	-82.4	-14.5	0	0	0	111.9	L469 R546 Y556 L557 T562 H577 F578	L469-D560 HydrophobicContact CD1-CB 3.78Å; L469-D560 VanDerWaalsContact CD1-CG 3.46Å; R546-D560 VanDerWaalsContact CD-OD2 3.3Å; R546-D560 WeakPolarHBondContact CD-OD2 3.44Å; R546-D560 WeakPolarHBondContact CG-OD2 3.48Å; R546-D560 IonicContact CZ-OD1 2.84Å; R546-D560 VanDerWaalsContact CZ-OD1 3.27Å; R546-D560 IonicContact CZ-OD2 3.48Å; R546-D560 VanDerWaalsContact NE-CG 3.29Å; R546-D560 IonicContact NE-OD1 3.78Å; R546-D560 PolarHBondContact NE-OD1 3.36Å; R546-D560 IonicContact NE-OD2 3.62Å; R546-D560 PolarHBondContact NE-OD2 2.87Å; R546-D560 IonicContact NH2-OD1 3.7Å; R546-D560 PolarHBondContact NH2-OD1 3.45Å; R546-D560 IonicContact NH2-OD2 2.69Å; Y556-D560 VanDerWaalsContact CA-OD2 3.26Å; Y556-D560 WeakPolarHBondContact CA-OD2 3.45Å; Y556-D560 HydrophobicContact CD1-CB 3.82Å; Y556-D560 HydrophobicContact CG-CB 4.42Å; L557-D560 PolarHBondContact N-OD2 3.17Å; L557-D560 VanDerWaalsContact O-CB 3.24Å; L557-D560 WeakPolarHBondContact O-CB 3.3Å; L557-D560 PolarHBondContact O-N 2.93Å; D560-T562 PolarHBondContact O-N 2.7Å; D560-H577 CarbonylContact O-C 3.59Å; D560-H577 VanDerWaalsContact O-CA 3.25Å; D560-H577 WeakPolarHBondContact O-CA 3.37Å; D560-F578 HydrophobicContact CB-CB 4.38Å; D560-F578 PolarHBondContact O-N 3.4Å
561	R	83.8	Confident	81.2	Confident	64 Å²	64	51.4 Å²	51.4	24%	0.242	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	129.1	162.6	172.1	178.3	155.5	-168.3	-4.7	110.4	G559 F575 K576	G559-R561 PolarHBondContact O-N 2.78Å; R561-F575 HydrophobicContact CG-CB 3.73Å; R561-F575 HydrophobicContact CG-CG 4.36Å; R561-F575 VanDerWaalsContact NE-CG 3.29Å; R561-F575 VanDerWaalsContact NH2-CZ 3.27Å; R561-K576 WeakPolarHBondContact CA-O 3.47Å
562	T	83.8	Confident	79.8	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	176.3	177.5	87.2	0	0	0	0	112	Y556 D560 S564 F575 K576 F578 E583	Y556-T562 HydrophobicContact CD1-CG2 4.4Å; Y556-T562 HydrophobicContact CD2-CG2 4.37Å; Y556-T562 HydrophobicContact CE1-CG2 4.09Å; Y556-T562 HydrophobicContact CE2-CG2 4.06Å; Y556-T562 WeakPolarHBondContact OH-CB 3.44Å; D560-T562 PolarHBondContact O-N 2.7Å; T562-S564 VanDerWaalsContact C-N 3.3Å; T562-S564 PolarHBondContact OG1-N 3.42Å; T562-S564 VanDerWaalsContact OG1-N 3.17Å; T562-F575 WeakPolarHBondContact O-CD1 3.37Å; T562-K576 PolarHBondContact N-O 2.8Å; T562-F578 HydrophobicContact CG2-CB 3.84Å; T562-E583 WeakPolarHBondContact CB-OE1 3.26Å; T562-E583 HydrophobicContact CG2-CG 4.22Å; T562-E583 WeakPolarHBondContact CG2-OE1 3.15Å; T562-E583 PolarHBondContact OG1-OE1 3.18Å
563	N	75.4	Confident	78.6	Confident	101 Å²	101	51.4 Å²	51.4	54%	0.54	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-12.3	174.4	-63.5	-39.2	0	0	0	113.4	Y556	Y556-N563 PolarHBondContact OH-N 3.44Å
564	S	78.4	Confident	77.5	Confident	44 Å²	44	50.3 Å²	50.3	31%	0.308	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	135.2	179.2	-67.2	0	0	0	0	111.1	T562 F575 K576 E583	T562-S564 VanDerWaalsContact C-N 3.3Å; T562-S564 PolarHBondContact OG1-N 3.42Å; T562-S564 VanDerWaalsContact OG1-N 3.17Å; S564-F575 CarbonylContact O-C 2.98Å; S564-F575 VanDerWaalsContact O-CA 3.29Å; S564-F575 WeakPolarHBondContact O-CA 3.25Å; S564-K576 PolarHBondContact O-N 3.04Å; S564-E583 WeakPolarHBondContact CB-OE2 3.46Å; S564-E583 VanDerWaalsContact OG-CD 3.26Å; S564-E583 PolarHBondContact OG-OE1 3.32Å; S564-E583 VanDerWaalsContact OG-OE1 3.11Å; S564-E583 PolarHBondContact OG-OE2 3.43Å
565	R	72.4	Confident	76.9	Confident	128 Å²	128	51.2 Å²	51.2	48%	0.483	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	135.6	173.1	-65.2	-179	65.7	160.4	1.8	109.6
566	S	74.9	Confident	76.7	Confident	18 Å²	18	50.5 Å²	50.5	13%	0.126	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-82.5	142.5	159.9	177.3	0	0	0	0	109	G568 G574 D585	S566-G568 PolarHBondContact OG-N 3.36Å; S566-G568 PolarHBondContact OG-O 3.27Å; S566-G574 PolarHBondContact N-O 2.78Å; S566-G574 VanDerWaalsContact N-O 3.13Å; S566-D585 WeakPolarHBondContact OG-CB 3.44Å; S566-D585 PolarHBondContact OG-OD1 2.96Å; S566-D585 VanDerWaalsContact OG-OD1 3.13Å
567	T	66.8	Low	76.6	Confident	128 Å²	128	48.9 Å²	48.9	79%	0.785	29%	0.291	S	S	*	.	S	Bend	trans	-106.6	6.6	173.8	51.8	0	0	0	0	112.7
568	G	65.9	Low	76.6	Confident	36 Å²	36	46.3 Å²	46.3	37%	0.371	28%	0.276	S	S	.	.	S	Bend	trans	-168.7	-148.2	-176.1	0	0	0	0	0	112.2	S566	S566-G568 PolarHBondContact OG-N 3.36Å; S566-G568 PolarHBondContact OG-O 3.27Å
569	G	71.4	Confident	76.7	Confident	35 Å²	35	43.6 Å²	43.6	36%	0.361	26%	0.26	S	S	.	.			trans	74.9	171.3	-177.5	0	0	0	0	0	114.9	N586 Y611	G569-N586 WeakPolarHBondContact CA-OD1 3.23Å; G569-Y611 WeakPolarHBondContact CA-O 3.3Å
570	K	73.5	Confident	76.9	Confident	64 Å²	64	48.3 Å²	48.3	28%	0.278	29%	0.285	S	S	.	.	S	Bend	trans	-95.9	-13.1	177.3	-69.4	-170.9	176.1	-167.6	0	113.9	G572 N586 Y611 P659 D660 D661 Y662	K570-G572 PolarHBondContact O-N 2.95Å; K570-N586 PolarHBondContact N-OD1 2.9Å; K570-Y611 HydrophobicContact CD-CD2 3.68Å; K570-Y611 HydrophobicContact CD-CE2 3.93Å; K570-Y611 HydrophobicContact CD-CG 4.01Å; K570-Y611 HydrophobicContact CG-CD2 4.23Å; K570-Y611 HydrophobicContact CG-CG 4.2Å; K570-P659 PolarHBondContact NZ-O 2.9Å; K570-D660 PolarHBondContact NZ-O 3.04Å; K570-D661 PolarHBondContact NZ-O 3.41Å; K570-Y662 HydrophobicContact CB-CD1 3.63Å; K570-Y662 HydrophobicContact CB-CD2 4.4Å; K570-Y662 HydrophobicContact CB-CE1 3.97Å; K570-Y662 HydrophobicContact CB-CG 3.86Å; K570-Y662 VanDerWaalsContact CD-CB 3.41Å; K570-Y662 HydrophobicContact CD-CD1 4.31Å; K570-Y662 HydrophobicContact CD-CD2 4.32Å; K570-Y662 HydrophobicContact CD-CG 3.79Å
571	C	71.1	Confident	76.9	Confident	20 Å²	20	51 Å²	51	14%	0.135	31%	0.313	C	S	.	.			trans	-66.2	-19.6	-174.2	-168.2	0	0	0	0	114.6	C573 H577 N586 Y662	C571-C573 PolarHBondContact O-N 3.47Å; C571-H577 PolarHBondContact SG-CE1 3.5Å; C571-N586 PolarHBondContact N-OD1 2.99Å; C571-Y662 HydrophobicContact CB-CE1 4.34Å
572	G	61.2	Low	77.2	Confident	64 Å²	64	53.1 Å²	53.1	66%	0.66	32%	0.324	S	S	*	.			trans	71.6	-21.3	168.3	0	0	0	0	0	116.6	K570 G574	K570-G572 PolarHBondContact O-N 2.95Å; G572-G574 PolarHBondContact O-N 3.45Å
573	C	62.3	Low	77.5	Confident	39 Å²	39	56.2 Å²	56.2	26%	0.264	34%	0.338	S	S	.	.	S	Bend	trans	-64.5	-17	-175.7	83.6	0	0	0	0	114.3	C571 F575 H577	C571-C573 PolarHBondContact O-N 3.47Å; C573-F575 WeakPolarHBondContact O-CD2 3.33Å; C573-F575 PolarHBondContact SG-N 3.48Å; C573-F575 PolarHBondContact SG-O 3.33Å; C573-F575 VanDerWaalsContact SG-O 3.4Å; C573-H577 PolarHBondContact SG-CE1 3.22Å; C573-H577 PolarHBondContact SG-NE2 2.87Å; C573-H577 VanDerWaalsContact SG-NE2 3.41Å
574	G	67.1	Low	78.2	Confident	23 Å²	23	52.3 Å²	52.3	24%	0.237	32%	0.316	C	S	.	.	S	Bend	trans	87.2	2.7	177.6	0	0	0	0	0	115.6	S566 G572	S566-G574 PolarHBondContact N-O 2.78Å; S566-G574 VanDerWaalsContact N-O 3.13Å; G572-G574 PolarHBondContact O-N 3.45Å
575	F	77.8	Confident	78.5	Confident	39 Å²	39	50.3 Å²	50.3	17%	0.171	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	160.4	-176.3	-69	-100.1	0	0	0	110.3	R561 T562 S564 C573 H577	R561-F575 HydrophobicContact CG-CB 3.73Å; R561-F575 HydrophobicContact CG-CG 4.36Å; R561-F575 VanDerWaalsContact NE-CG 3.29Å; R561-F575 VanDerWaalsContact NH2-CZ 3.27Å; T562-F575 WeakPolarHBondContact O-CD1 3.37Å; S564-F575 CarbonylContact O-C 2.98Å; S564-F575 VanDerWaalsContact O-CA 3.29Å; S564-F575 WeakPolarHBondContact O-CA 3.25Å; C573-F575 WeakPolarHBondContact O-CD2 3.33Å; C573-F575 PolarHBondContact SG-N 3.48Å; C573-F575 PolarHBondContact SG-O 3.33Å; C573-F575 VanDerWaalsContact SG-O 3.4Å; F575-H577 PolarHBondContact O-CE1 2.95Å
576	K	86.9	Confident	79.1	Confident	39 Å²	39	44.2 Å²	44.2	17%	0.17	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	163.5	172.8	-69.3	-175.6	174.7	-82.5	0	111.7	R561 T562 S564 E583 Y584 D585	R561-K576 WeakPolarHBondContact CA-O 3.47Å; T562-K576 PolarHBondContact N-O 2.8Å; S564-K576 PolarHBondContact O-N 3.04Å; K576-E583 HydrophobicContact CB-CB 4.06Å; K576-E583 HydrophobicContact CD-CB 3.76Å; K576-Y584 CarbonylContact C-O 3.51Å; K576-Y584 WeakPolarHBondContact CA-O 3.29Å; K576-Y584 VanDerWaalsContact CB-O 3.26Å; K576-Y584 WeakPolarHBondContact CB-O 3.45Å; K576-D585 WeakPolarHBondContact CE-OD1 3.48Å; K576-D585 IonicContact NZ-OD1 2.68Å; K576-D585 PolarHBondContact NZ-OD1 3.04Å; K576-D585 IonicContact NZ-OD2 3.57Å
577	H	87.6	Confident	79.6	Confident	3 Å²	3	43.4 Å²	43.4	1%	0.014	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140	177.5	-53.5	83.9	0	0	0	109.9	D560 C571 C573 F575 E583 Y584 L587	D560-H577 CarbonylContact O-C 3.59Å; D560-H577 VanDerWaalsContact O-CA 3.25Å; D560-H577 WeakPolarHBondContact O-CA 3.37Å; C571-H577 PolarHBondContact SG-CE1 3.5Å; C573-H577 PolarHBondContact SG-CE1 3.22Å; C573-H577 PolarHBondContact SG-NE2 2.87Å; C573-H577 VanDerWaalsContact SG-NE2 3.41Å; F575-H577 PolarHBondContact O-CE1 2.95Å; H577-E583 CarbonylContact O-C 3.56Å; H577-E583 WeakPolarHBondContact O-CA 3.5Å; H577-Y584 PolarHBondContact N-O 3.23Å; H577-Y584 PolarHBondContact O-N 2.84Å; H577-L587 HydrophobicContact CB-CD2 3.72Å; H577-L587 HydrophobicContact CB-CG 4.33Å
578	F	90.8	Very high	80.6	Confident	44 Å²	44	37.3 Å²	37.3	19%	0.193	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	137.4	178.1	-173.3	-95.9	0	0	0	111	Y556 D558 G559 D560 T562 K582	Y556-F578 VanDerWaalsContact CB-CG 3.41Å; Y556-F578 HydrophobicContact CD2-CB 4.44Å; Y556-F578 AromaticContact CD2-CD2 3.89Å; Y556-F578 HydrophobicContact CD2-CD2 3.89Å; Y556-F578 HydrophobicContact CD2-CE2 4.39Å; Y556-F578 HydrophobicContact CD2-CG 4.25Å; Y556-F578 HydrophobicContact CG-CB 4.09Å; Y556-F578 HydrophobicContact CG-CD2 4.21Å; Y556-F578 HydrophobicContact CG-CG 4.09Å; D558-F578 WeakPolarHBondContact CA-O 3.27Å; G559-F578 PolarHBondContact N-O 2.88Å; D560-F578 HydrophobicContact CB-CB 4.38Å; D560-F578 PolarHBondContact O-N 3.4Å; T562-F578 HydrophobicContact CG2-CB 3.84Å; F578-K582 CarbonylContact C-O 3.54Å; F578-K582 WeakPolarHBondContact CA-O 3.4Å
579	W	91.3	Very high	81.7	Confident	20 Å²	20	37.4 Å²	37.4	8%	0.076	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	136.7	172.4	-155.9	-74.3	0	0	0	112.6	D558 G581 K582 Y584 P588 Y607 F609 V665 I667	D558-W579 HydrophobicContact CB-CD2 3.83Å; D558-W579 HydrophobicContact CB-CE3 3.93Å; D558-W579 HydrophobicContact CB-CG 4.3Å; D558-W579 HydrophobicContact CB-CH2 4.36Å; D558-W579 HydrophobicContact CB-CZ2 4.26Å; D558-W579 HydrophobicContact CB-CZ3 4.2Å; D558-W579 VanDerWaalsContact OD1-CA 3.29Å; D558-W579 WeakPolarHBondContact OD1-CA 3.14Å; W579-G581 PolarHBondContact O-N 2.84Å; W579-K582 PolarHBondContact N-O 3.37Å; W579-K582 PolarHBondContact O-N 2.82Å; W579-Y584 HydrophobicContact CB-CD2 3.8Å; W579-Y584 HydrophobicContact CB-CE2 3.79Å; W579-P588 HydrophobicContact CD2-CG 3.91Å; W579-P588 HydrophobicContact CE3-CG 3.65Å; W579-P588 HydrophobicContact CH2-CG 3.58Å; W579-P588 HydrophobicContact CZ2-CG 3.85Å; W579-P588 HydrophobicContact CZ3-CG 3.47Å; W579-P588 VanDerWaalsContact CZ3-CG 3.47Å; W579-Y607 AromaticContact CH2-CD1 3.69Å; W579-Y607 HydrophobicContact CH2-CD1 3.69Å; W579-Y607 AromaticContact CH2-CE1 3.76Å; W579-Y607 HydrophobicContact CH2-CE1 3.76Å; W579-Y607 HydrophobicContact CH2-CG 4.24Å; W579-Y607 AromaticContact CZ2-CD1 3.4Å; W579-Y607 HydrophobicContact CZ2-CD1 3.4Å; W579-Y607 VanDerWaalsContact CZ2-CD1 3.4Å; W579-Y607 AromaticContact CZ2-CD2 3.81Å; W579-Y607 HydrophobicContact CZ2-CD2 3.81Å; W579-Y607 AromaticContact CZ2-CE1 3.66Å; W579-Y607 HydrophobicContact CZ2-CE1 3.66Å; W579-Y607 HydrophobicContact CZ2-CE2 4.04Å; W579-Y607 AromaticContact CZ2-CG 3.48Å; W579-Y607 HydrophobicContact CZ2-CG 3.48Å; W579-Y607 VanDerWaalsContact CZ2-CG 3.48Å; W579-Y607 AromaticContact CZ2-CZ 3.96Å; W579-F609 HydrophobicContact CB-CE1 4.46Å; W579-F609 HydrophobicContact CB-CE2 4.41Å; W579-F609 HydrophobicContact CB-CZ 3.64Å; W579-F609 AromaticContact CD1-CE2 3.92Å; W579-F609 AromaticContact CD1-CZ 3.88Å; W579-F609 HydrophobicContact CD2-CE2 4.44Å; W579-F609 AromaticContact CD2-CZ 3.82Å; W579-F609 HydrophobicContact CD2-CZ 3.82Å; W579-F609 HydrophobicContact CE3-CZ 4.31Å; W579-F609 HydrophobicContact CG-CE2 4.01Å; W579-F609 AromaticContact CG-CZ 3.49Å; W579-F609 HydrophobicContact CG-CZ 3.49Å; W579-F609 VanDerWaalsContact CG-CZ 3.49Å; W579-V665 HydrophobicContact CH2-CG1 4.39Å; W579-V665 HydrophobicContact CH2-CG2 4.1Å; W579-V665 HydrophobicContact CZ3-CG2 3.84Å; W579-I667 HydrophobicContact CH2-CD1 3.66Å; W579-I667 HydrophobicContact CZ3-CD1 3.46Å; W579-I667 VanDerWaalsContact CZ3-CD1 3.46Å
580	D	87	Confident	82.4	Confident	101 Å²	101	37.9 Å²	37.9	54%	0.54	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	39.4	175.1	-164.5	25.8	0	0	0	112.6	D558 K627	D558-D580 PolarHBondContact OD1-N 3.44Å; D580-K627 IonicContact OD2-NZ 3.81Å; D580-K627 PolarHBondContact OD2-NZ 2.87Å; D580-K627 VanDerWaalsContact OD2-NZ 3.13Å
581	G	86.5	Confident	83	Confident	60 Å²	60	36.1 Å²	36.1	62%	0.619	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.9	8.9	-179.7	0	0	0	0	0	116.8	W579	W579-G581 PolarHBondContact O-N 2.84Å
582	K	89.3	Confident	83.7	Confident	109 Å²	109	39.7 Å²	39.7	47%	0.474	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	168	-175.8	-62.1	-179.2	-179	-176.7	0	112.7	F578 W579 Y584 L617	F578-K582 CarbonylContact C-O 3.54Å; F578-K582 WeakPolarHBondContact CA-O 3.4Å; W579-K582 PolarHBondContact N-O 3.37Å; W579-K582 PolarHBondContact O-N 2.82Å; K582-Y584 HydrophobicContact CB-CD2 4.32Å; K582-Y584 HydrophobicContact CB-CE2 3.69Å; K582-L617 HydrophobicContact CD-CD2 4.14Å
583	E	90.4	Very high	84.9	Confident	65 Å²	65	36.7 Å²	36.7	30%	0.304	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.1	173.6	-60	-165.2	132.3	0	0	112	T562 S564 K576 H577	T562-E583 WeakPolarHBondContact CB-OE1 3.26Å; T562-E583 HydrophobicContact CG2-CG 4.22Å; T562-E583 WeakPolarHBondContact CG2-OE1 3.15Å; T562-E583 PolarHBondContact OG1-OE1 3.18Å; S564-E583 WeakPolarHBondContact CB-OE2 3.46Å; S564-E583 VanDerWaalsContact OG-CD 3.26Å; S564-E583 PolarHBondContact OG-OE1 3.32Å; S564-E583 VanDerWaalsContact OG-OE1 3.11Å; S564-E583 PolarHBondContact OG-OE2 3.43Å; K576-E583 HydrophobicContact CB-CB 4.06Å; K576-E583 HydrophobicContact CD-CB 3.76Å; H577-E583 CarbonylContact O-C 3.56Å; H577-E583 WeakPolarHBondContact O-CA 3.5Å
584	Y	89.2	Confident	85.9	Confident	19 Å²	19	38.6 Å²	38.6	8%	0.075	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	147.7	-177.8	-67.6	-93.1	0	0	0	111.5	K576 H577 W579 K582 N586 F609 E612 L617	K576-Y584 CarbonylContact C-O 3.51Å; K576-Y584 WeakPolarHBondContact CA-O 3.29Å; K576-Y584 VanDerWaalsContact CB-O 3.26Å; K576-Y584 WeakPolarHBondContact CB-O 3.45Å; H577-Y584 PolarHBondContact N-O 3.23Å; H577-Y584 PolarHBondContact O-N 2.84Å; W579-Y584 HydrophobicContact CB-CD2 3.8Å; W579-Y584 HydrophobicContact CB-CE2 3.79Å; K582-Y584 HydrophobicContact CB-CD2 4.32Å; K582-Y584 HydrophobicContact CB-CE2 3.69Å; Y584-N586 VanDerWaalsContact C-N 3.25Å; Y584-N586 VanDerWaalsContact CB-O 3.27Å; Y584-N586 WeakPolarHBondContact CB-O 3.36Å; Y584-F609 HydrophobicContact CD1-CB 4.26Å; Y584-F609 AromaticContact CD1-CD1 3.24Å; Y584-F609 HydrophobicContact CD1-CD1 3.24Å; Y584-F609 HydrophobicContact CD1-CD2 4.33Å; Y584-F609 AromaticContact CD1-CE1 3.52Å; Y584-F609 HydrophobicContact CD1-CE1 3.52Å; Y584-F609 AromaticContact CD1-CG 3.68Å; Y584-F609 HydrophobicContact CD1-CG 3.68Å; Y584-F609 HydrophobicContact CD1-CZ 4.19Å; Y584-F609 HydrophobicContact CD2-CD1 4.28Å; Y584-F609 AromaticContact CD2-CE1 3.68Å; Y584-F609 HydrophobicContact CD2-CE1 3.68Å; Y584-F609 AromaticContact CD2-CZ 3.85Å; Y584-F609 HydrophobicContact CD2-CZ 3.85Å; Y584-F609 HydrophobicContact CE1-CB 4.12Å; Y584-F609 AromaticContact CE1-CD1 3.63Å; Y584-F609 HydrophobicContact CE1-CD1 3.63Å; Y584-F609 AromaticContact CE1-CD2 3.85Å; Y584-F609 HydrophobicContact CE1-CD2 3.85Å; Y584-F609 AromaticContact CE1-CE1 3.95Å; Y584-F609 HydrophobicContact CE1-CE1 3.95Å; Y584-F609 HydrophobicContact CE1-CE2 4.16Å; Y584-F609 AromaticContact CE1-CG 3.57Å; Y584-F609 HydrophobicContact CE1-CG 3.57Å; Y584-F609 HydrophobicContact CE1-CZ 4.2Å; Y584-F609 HydrophobicContact CE2-CE1 4.11Å; Y584-F609 HydrophobicContact CE2-CE2 4.19Å; Y584-F609 AromaticContact CE2-CZ 3.89Å; Y584-F609 HydrophobicContact CE2-CZ 3.89Å; Y584-F609 AromaticContact CG-CD1 3.59Å; Y584-F609 HydrophobicContact CG-CD1 3.59Å; Y584-F609 AromaticContact CG-CE1 3.36Å; Y584-F609 HydrophobicContact CG-CE1 3.36Å; Y584-F609 HydrophobicContact CG-CG 4.38Å; Y584-F609 HydrophobicContact CG-CZ 4Å; Y584-F609 AromaticContact CZ-CE2 3.97Å; Y584-E612 VanDerWaalsContact CA-OE2 3.3Å; Y584-E612 WeakPolarHBondContact CA-OE2 3.49Å; Y584-E612 HydrophobicContact CD1-CG 4.17Å; Y584-L617 HydrophobicContact CD1-CB 3.97Å; Y584-L617 HydrophobicContact CD1-CD1 4.35Å; Y584-L617 HydrophobicContact CE1-CB 3.81Å; Y584-L617 HydrophobicContact CE1-CD2 4.22Å; Y584-L617 HydrophobicContact CE1-CG 4.44Å; Y584-L617 WeakPolarHBondContact CE1-O 3.12Å
585	D	84.6	Confident	86.7	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.011	21%	0.213	C	C	.	.	S	Bend	trans	-68.9	-28.4	172.2	-64.4	-31	0	0	0	111.7	S566 K576 E612 S613	S566-D585 WeakPolarHBondContact OG-CB 3.44Å; S566-D585 PolarHBondContact OG-OD1 2.96Å; S566-D585 VanDerWaalsContact OG-OD1 3.13Å; K576-D585 WeakPolarHBondContact CE-OD1 3.48Å; K576-D585 IonicContact NZ-OD1 2.68Å; K576-D585 PolarHBondContact NZ-OD1 3.04Å; K576-D585 IonicContact NZ-OD2 3.57Å; D585-E612 PolarHBondContact N-OE1 3.31Å; D585-E612 PolarHBondContact N-OE2 3.29Å; D585-S613 WeakPolarHBondContact OD2-CB 3.38Å; D585-S613 PolarHBondContact OD2-N 3.43Å; D585-S613 PolarHBondContact OD2-OG 2.86Å
586	N	84.6	Confident	86.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-117.2	158.5	-178.3	-56.4	-82	0	0	0	112.1	G569 K570 C571 Y584 Q610 Y611 E612 Y662	G569-N586 WeakPolarHBondContact CA-OD1 3.23Å; K570-N586 PolarHBondContact N-OD1 2.9Å; C571-N586 PolarHBondContact N-OD1 2.99Å; Y584-N586 VanDerWaalsContact C-N 3.25Å; Y584-N586 VanDerWaalsContact CB-O 3.27Å; Y584-N586 WeakPolarHBondContact CB-O 3.36Å; N586-Q610 PolarHBondContact ND2-O 3.35Å; N586-Y611 VanDerWaalsContact ND2-C 3.26Å; N586-Y611 PolarHBondContact ND2-O 3.45Å; N586-E612 VanDerWaalsContact CB-OE1 3.3Å; N586-E612 WeakPolarHBondContact CB-OE1 3.43Å; N586-E612 PolarHBondContact N-OE1 2.96Å; N586-E612 PolarHBondContact ND2-OE1 3.43Å; N586-Y662 HydrophobicContact CB-CE2 4.2Å
587	L	86.6	Confident	86.5	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.01	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-80.5	147.8	159.7	-72.9	172.2	0	0	0	108.3	H577 Y662 P664 V665 A670	H577-L587 HydrophobicContact CB-CD2 3.72Å; H577-L587 HydrophobicContact CB-CG 4.33Å; L587-Y662 PolarHBondContact N-OH 2.86Å; L587-Y662 VanDerWaalsContact N-OH 3.11Å; L587-Y662 PolarHBondContact O-OH 3.4Å; L587-P664 HydrophobicContact CB-CB 3.64Å; L587-P664 HydrophobicContact CD1-CB 4.4Å; L587-V665 HydrophobicContact CB-CG2 4.05Å; L587-V665 HydrophobicContact CD2-CG2 4.4Å; L587-A670 HydrophobicContact CD1-CB 4.27Å
588	P	88.6	Confident	85.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-69.5	152.6	178	28.2	-31.7	0	0	0	111.1	W579 Y607 W608 F609 P664 V665	W579-P588 HydrophobicContact CD2-CG 3.91Å; W579-P588 HydrophobicContact CE3-CG 3.65Å; W579-P588 HydrophobicContact CH2-CG 3.58Å; W579-P588 HydrophobicContact CZ2-CG 3.85Å; W579-P588 HydrophobicContact CZ3-CG 3.47Å; W579-P588 VanDerWaalsContact CZ3-CG 3.47Å; P588-Y607 HydrophobicContact CG-CD1 4.13Å; P588-Y607 HydrophobicContact CG-CG 4.49Å; P588-W608 CarbonylContact C-O 3.36Å; P588-W608 VanDerWaalsContact CA-O 3.3Å; P588-W608 WeakPolarHBondContact CA-O 3.2Å; P588-F609 HydrophobicContact CB-CD1 4.16Å; P588-F609 HydrophobicContact CB-CD2 4.07Å; P588-F609 HydrophobicContact CB-CE1 3.87Å; P588-F609 HydrophobicContact CB-CE2 3.77Å; P588-F609 HydrophobicContact CB-CG 4.25Å; P588-F609 HydrophobicContact CB-CZ 3.66Å; P588-F609 HydrophobicContact CG-CE1 4Å; P588-F609 HydrophobicContact CG-CE2 4.06Å; P588-F609 HydrophobicContact CG-CZ 3.6Å; P588-P664 CarbonylContact O-C 3.55Å; P588-P664 WeakPolarHBondContact O-CA 3.39Å; P588-V665 HydrophobicContact CG-CG1 4.32Å; P588-V665 HydrophobicContact CG-CG2 3.98Å; P588-V665 WeakPolarHBondContact O-CG1 3.1Å; P588-V665 WeakPolarHBondContact O-CG2 3.48Å; P588-V665 PolarHBondContact O-N 2.91Å
589	E	87.7	Confident	85.1	Confident	37 Å²	37	47.8 Å²	47.8	17%	0.173	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	139.8	160.8	-54.8	-165.2	113.7	0	0	108.8	Y607 W608 Y662 T663	E589-Y607 WeakPolarHBondContact O-CA 3.16Å; E589-W608 PolarHBondContact N-O 2.9Å; E589-W608 PolarHBondContact O-N 3.47Å; E589-Y662 HydrophobicContact CG-CD2 4.36Å; E589-T663 PolarHBondContact OE1-N 3.41Å; E589-T663 PolarHBondContact OE1-OG1 2.88Å
590	A	86.8	Confident	84.6	Confident	46 Å²	46	53.9 Å²	53.9	38%	0.38	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131	176.5	0	0	0	0	0	112	T605 V606 Y607 V665	A590-T605 HydrophobicContact CB-CG2 3.82Å; A590-V606 WeakPolarHBondContact CA-O 3.23Å; A590-Y607 HydrophobicContact CB-CD1 3.95Å; A590-Y607 HydrophobicContact CB-CE1 3.98Å; A590-V665 HydrophobicContact CB-CG1 3.36Å
591	F	84.8	Confident	84.5	Confident	27 Å²	27	53.3 Å²	53.3	12%	0.118	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	138.4	171.7	47.5	-95.8	0	0	0	112	I593 V606 W608 I650 Q653 T654	F591-I593 HydrophobicContact CD2-CG2 4.33Å; F591-I593 HydrophobicContact CE2-CG2 4.43Å; F591-V606 HydrophobicContact CD2-CB 3.93Å; F591-V606 HydrophobicContact CE1-CG1 4.5Å; F591-V606 HydrophobicContact CE2-CB 3.55Å; F591-V606 HydrophobicContact CE2-CG1 3.71Å; F591-V606 HydrophobicContact CE2-CG2 4.12Å; F591-V606 HydrophobicContact CZ-CB 4.02Å; F591-V606 HydrophobicContact CZ-CG1 3.69Å; F591-V606 PolarHBondContact N-O 3.28Å; F591-V606 VanDerWaalsContact N-O 3.08Å; F591-V606 PolarHBondContact O-N 3.31Å; F591-W608 HydrophobicContact CE1-CB 3.58Å; F591-W608 HydrophobicContact CE1-CG 4.02Å; F591-W608 HydrophobicContact CZ-CB 4.07Å; F591-W608 HydrophobicContact CZ-CE3 4.43Å; F591-W608 HydrophobicContact CZ-CG 4.36Å; F591-I650 HydrophobicContact CE2-CG2 4.23Å; F591-I650 HydrophobicContact CZ-CG2 4.05Å; F591-Q653 HydrophobicContact CD2-CB 4.01Å; F591-Q653 HydrophobicContact CE2-CB 4.17Å; F591-Q653 HydrophobicContact CG-CB 4.37Å; F591-T654 HydrophobicContact CE1-CG2 3.64Å; F591-T654 HydrophobicContact CZ-CG2 3.53Å
592	P	86	Confident	84.4	Confident	95 Å²	95	51.4 Å²	51.4	62%	0.617	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	129.1	175.2	30.3	-33.2	0	0	0	110.6	E604 Q653	P592-E604 WeakPolarHBondContact CA-O 3.42Å; P592-Q653 PolarHBondContact O-NE2 2.77Å
593	I	86.1	Confident	84.3	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	151.1	164.8	56.8	173.3	0	0	0	110	F591 L595 R603 E604 V606 L628 T649	F591-I593 HydrophobicContact CD2-CG2 4.33Å; F591-I593 HydrophobicContact CE2-CG2 4.43Å; I593-L595 HydrophobicContact CB-CD2 4.46Å; I593-L595 HydrophobicContact CD1-CD1 3.82Å; I593-L595 HydrophobicContact CD1-CD2 3.96Å; I593-L595 HydrophobicContact CD1-CG 3.78Å; I593-L595 HydrophobicContact CG1-CG 4.34Å; I593-R603 WeakPolarHBondContact O-CA 3.11Å; I593-E604 HydrophobicContact CD1-CB 4.35Å; I593-E604 HydrophobicContact CG1-CB 4.06Å; I593-E604 VanDerWaalsContact CG1-O 3.27Å; I593-E604 WeakPolarHBondContact CG1-O 3.28Å; I593-E604 PolarHBondContact N-O 2.92Å; I593-E604 PolarHBondContact O-N 2.96Å; I593-V606 HydrophobicContact CB-CG2 4.5Å; I593-V606 HydrophobicContact CD1-CG2 3.68Å; I593-V606 HydrophobicContact CG1-CG2 3.94Å; I593-V606 HydrophobicContact CG2-CG2 3.8Å; I593-L628 HydrophobicContact CD1-CD1 3.51Å; I593-L628 HydrophobicContact CD1-CD2 3.88Å; I593-L628 HydrophobicContact CD1-CG 4.26Å; I593-T649 HydrophobicContact CG2-CG2 4.16Å
594	T	83.6	Confident	84.1	Confident	79 Å²	79	55.3 Å²	55.3	49%	0.485	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.1	161.4	-59.9	0	0	0	0	107.7	V601 V602 R603	T594-V601 HydrophobicContact CG2-CG1 3.67Å; T594-V602 CarbonylContact C-O 3.22Å; T594-V602 WeakPolarHBondContact CA-O 2.98Å; T594-R603 HydrophobicContact CG2-CG 4.32Å
595	L	84.3	Confident	84	Confident	8 Å²	8	57.3 Å²	57.3	4%	0.042	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.7	179.1	-59.9	-172.5	0	0	0	109.5	I593 V601 V602 L628 F633 V646	I593-L595 HydrophobicContact CB-CD2 4.46Å; I593-L595 HydrophobicContact CD1-CD1 3.82Å; I593-L595 HydrophobicContact CD1-CD2 3.96Å; I593-L595 HydrophobicContact CD1-CG 3.78Å; I593-L595 HydrophobicContact CG1-CG 4.34Å; L595-V601 CarbonylContact O-C 3.58Å; L595-V601 WeakPolarHBondContact O-CA 3.32Å; L595-V602 HydrophobicContact CB-CB 4.49Å; L595-V602 PolarHBondContact N-O 2.94Å; L595-V602 PolarHBondContact O-N 3.14Å; L595-L628 HydrophobicContact CD1-CB 4.37Å; L595-F633 HydrophobicContact CB-CE2 4.16Å; L595-F633 HydrophobicContact CB-CZ 4.34Å; L595-F633 HydrophobicContact CD1-CE2 4.29Å; L595-V646 HydrophobicContact CD1-CG1 4.46Å; L595-V646 HydrophobicContact CD1-CG2 3.98Å; L595-V646 HydrophobicContact CD2-CB 4.49Å; L595-V646 HydrophobicContact CD2-CG1 4.3Å; L595-V646 HydrophobicContact CD2-CG2 3.84Å
596	E	80.8	Confident	84.1	Confident	113 Å²	113	57.5 Å²	57.5	53%	0.528	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	120.5	179.9	-179	-175.8	-170.2	0	0	109.6	R600 V601 K645	E596-R600 WeakPolarHBondContact CA-O 3.09Å; E596-V601 HydrophobicContact CB-CG2 4.46Å; E596-V601 HydrophobicContact CG-CG2 4.14Å; E596-K645 PolarHBondContact O-NZ 2.89Å
597	W	79.3	Confident	84.3	Confident	64 Å²	64	62.4 Å²	62.4	24%	0.242	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	138.3	177.3	-169.6	-104.1	0	0	0	110	G599 R600 F633 E636 S639 I641 L642	W597-G599 PolarHBondContact O-N 3.44Å; W597-G599 VanDerWaalsContact O-N 3.15Å; W597-R600 PolarHBondContact N-O 3Å; W597-R600 VanDerWaalsContact N-O 3.12Å; W597-R600 WeakPolarHBondContact O-CB 3.46Å; W597-R600 PolarHBondContact O-N 3.48Å; W597-F633 HydrophobicContact CB-CD1 4.22Å; W597-F633 HydrophobicContact CB-CE1 3.74Å; W597-F633 HydrophobicContact CB-CZ 4.12Å; W597-E636 PolarHBondContact NE1-OE2 2.89Å; W597-S639 WeakPolarHBondContact CZ2-OG 3.21Å; W597-I641 HydrophobicContact CH2-CB 4.26Å; W597-I641 HydrophobicContact CH2-CG2 4.05Å; W597-I641 HydrophobicContact CZ3-CG2 4.23Å; W597-L642 HydrophobicContact CB-CD1 3.97Å; W597-L642 HydrophobicContact CD2-CB 4.11Å; W597-L642 HydrophobicContact CD2-CD1 3.81Å; W597-L642 HydrophobicContact CD2-CD2 4.11Å; W597-L642 HydrophobicContact CD2-CG 4.22Å; W597-L642 HydrophobicContact CE3-CB 4.1Å; W597-L642 HydrophobicContact CE3-CD1 3.78Å; W597-L642 HydrophobicContact CE3-CG 4.41Å; W597-L642 HydrophobicContact CG-CD1 3.92Å; W597-L642 HydrophobicContact CG-CD2 3.98Å; W597-L642 HydrophobicContact CG-CG 4.44Å; W597-L642 HydrophobicContact CH2-CB 4.08Å; W597-L642 HydrophobicContact CZ2-CB 4.1Å; W597-L642 HydrophobicContact CZ3-CB 4.08Å
598	G	74.3	Confident	84.4	Confident	82 Å²	82	63.2 Å²	63.2	85%	0.845	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	28.7	177.6	0	0	0	0	0	115.5	R600	G598-R600 PolarHBondContact O-N 3.23Å
599	G	76.3	Confident	84.4	Confident	75 Å²	75	63.7 Å²	63.7	77%	0.773	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	2.1	-173.5	0	0	0	0	0	114.9	W597	W597-G599 PolarHBondContact O-N 3.44Å; W597-G599 VanDerWaalsContact O-N 3.15Å
600	R	80.4	Confident	84.3	Confident	148 Å²	148	65 Å²	65	56%	0.558	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	122.5	175.7	-160	-175.7	-156.2	-162.2	10.1	109.5	E596 W597 G598 H632 F633	E596-R600 WeakPolarHBondContact CA-O 3.09Å; W597-R600 PolarHBondContact N-O 3Å; W597-R600 VanDerWaalsContact N-O 3.12Å; W597-R600 WeakPolarHBondContact O-CB 3.46Å; W597-R600 PolarHBondContact O-N 3.48Å; G598-R600 PolarHBondContact O-N 3.23Å; R600-H632 PolarHBondContact NH1-O 3.22Å; R600-F633 HydrophobicContact CB-CE1 4.31Å
601	V	84	Confident	84.1	Confident	88 Å²	88	66.1 Å²	66.1	53%	0.533	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.4	175.6	-178	0	0	0	0	109.6	T594 L595 E596	T594-V601 HydrophobicContact CG2-CG1 3.67Å; L595-V601 CarbonylContact O-C 3.58Å; L595-V601 WeakPolarHBondContact O-CA 3.32Å; E596-V601 HydrophobicContact CB-CG2 4.46Å; E596-V601 HydrophobicContact CG-CG2 4.14Å
602	V	85.4	Confident	84.2	Confident	21 Å²	21	65.5 Å²	65.5	13%	0.127	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	135.9	179.7	176.9	0	0	0	0	108.6	T594 L595 H632 F633	T594-V602 CarbonylContact C-O 3.22Å; T594-V602 WeakPolarHBondContact CA-O 2.98Å; L595-V602 HydrophobicContact CB-CB 4.49Å; L595-V602 PolarHBondContact N-O 2.94Å; L595-V602 PolarHBondContact O-N 3.14Å; V602-H632 HydrophobicContact CG1-CB 4.09Å; V602-H632 WeakPolarHBondContact CG1-ND1 3.43Å; V602-H632 HydrophobicContact CG2-CB 4.29Å; V602-F633 HydrophobicContact CG2-CE2 4.42Å; V602-F633 HydrophobicContact CG2-CZ 3.94Å
603	R	85.9	Confident	84.1	Confident	205 Å²	205	64.2 Å²	64.2	77%	0.774	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.1	168.9	-65.9	-178.8	179.5	166.4	1.4	108.4	I593 T594	I593-R603 WeakPolarHBondContact O-CA 3.11Å; T594-R603 HydrophobicContact CG2-CG 4.32Å
604	E	86.4	Confident	84	Confident	50 Å²	50	68 Å²	68	23%	0.234	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	150.5	-175.8	-175.3	66.4	-168.4	0	0	108.6	P592 I593 L628 K631 H632	P592-E604 WeakPolarHBondContact CA-O 3.42Å; I593-E604 HydrophobicContact CD1-CB 4.35Å; I593-E604 HydrophobicContact CG1-CB 4.06Å; I593-E604 VanDerWaalsContact CG1-O 3.27Å; I593-E604 WeakPolarHBondContact CG1-O 3.28Å; I593-E604 PolarHBondContact N-O 2.92Å; I593-E604 PolarHBondContact O-N 2.96Å; E604-L628 HydrophobicContact CB-CD2 4.43Å; E604-L628 HydrophobicContact CG-CD2 3.68Å; E604-K631 IonicContact OE1-NZ 2.78Å; E604-K631 PolarHBondContact OE1-NZ 2.99Å; E604-K631 IonicContact OE2-NZ 2.68Å; E604-H632 VanDerWaalsContact CD-NE2 3.34Å; E604-H632 IonicContact OE1-NE2 3.15Å; E604-H632 IonicContact OE2-CE1 2.8Å; E604-H632 PolarHBondContact OE2-CE1 2.96Å; E604-H632 IonicContact OE2-NE2 2.7Å; E604-H632 PolarHBondContact OE2-NE2 3.36Å
605	T	87.8	Confident	84	Confident	62 Å²	62	69 Å²	69	38%	0.38	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	125.3	174.1	-59.8	0	0	0	0	109.5	A590 Y607	A590-T605 HydrophobicContact CB-CG2 3.82Å; T605-Y607 HydrophobicContact CG2-CE1 4.09Å; T605-Y607 HydrophobicContact CG2-CE2 4.48Å
606	V	87.2	Confident	84.1	Confident	5 Å²	5	72.9 Å²	72.9	3%	0.03	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	130.8	171.3	176.9	0	0	0	0	109	A590 F591 I593 V624 L628	A590-V606 WeakPolarHBondContact CA-O 3.23Å; F591-V606 HydrophobicContact CD2-CB 3.93Å; F591-V606 HydrophobicContact CE1-CG1 4.5Å; F591-V606 HydrophobicContact CE2-CB 3.55Å; F591-V606 HydrophobicContact CE2-CG1 3.71Å; F591-V606 HydrophobicContact CE2-CG2 4.12Å; F591-V606 HydrophobicContact CZ-CB 4.02Å; F591-V606 HydrophobicContact CZ-CG1 3.69Å; F591-V606 PolarHBondContact N-O 3.28Å; F591-V606 VanDerWaalsContact N-O 3.08Å; F591-V606 PolarHBondContact O-N 3.31Å; I593-V606 HydrophobicContact CB-CG2 4.5Å; I593-V606 HydrophobicContact CD1-CG2 3.68Å; I593-V606 HydrophobicContact CG1-CG2 3.94Å; I593-V606 HydrophobicContact CG2-CG2 3.8Å; V606-V624 HydrophobicContact CG1-CG1 3.76Å; V606-L628 HydrophobicContact CG2-CD1 3.94Å
607	Y	88.9	Confident	84.4	Confident	104 Å²	104	68.8 Å²	68.8	41%	0.408	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	125.5	168.9	-59.5	-73.8	0	0	0	108.9	W579 P588 E589 A590 T605 V665	W579-Y607 AromaticContact CH2-CD1 3.69Å; W579-Y607 HydrophobicContact CH2-CD1 3.69Å; W579-Y607 AromaticContact CH2-CE1 3.76Å; W579-Y607 HydrophobicContact CH2-CE1 3.76Å; W579-Y607 HydrophobicContact CH2-CG 4.24Å; W579-Y607 AromaticContact CZ2-CD1 3.4Å; W579-Y607 HydrophobicContact CZ2-CD1 3.4Å; W579-Y607 VanDerWaalsContact CZ2-CD1 3.4Å; W579-Y607 AromaticContact CZ2-CD2 3.81Å; W579-Y607 HydrophobicContact CZ2-CD2 3.81Å; W579-Y607 AromaticContact CZ2-CE1 3.66Å; W579-Y607 HydrophobicContact CZ2-CE1 3.66Å; W579-Y607 HydrophobicContact CZ2-CE2 4.04Å; W579-Y607 AromaticContact CZ2-CG 3.48Å; W579-Y607 HydrophobicContact CZ2-CG 3.48Å; W579-Y607 VanDerWaalsContact CZ2-CG 3.48Å; W579-Y607 AromaticContact CZ2-CZ 3.96Å; P588-Y607 HydrophobicContact CG-CD1 4.13Å; P588-Y607 HydrophobicContact CG-CG 4.49Å; E589-Y607 WeakPolarHBondContact O-CA 3.16Å; A590-Y607 HydrophobicContact CB-CD1 3.95Å; A590-Y607 HydrophobicContact CB-CE1 3.98Å; T605-Y607 HydrophobicContact CG2-CE1 4.09Å; T605-Y607 HydrophobicContact CG2-CE2 4.48Å; Y607-V665 HydrophobicContact CD1-CG1 3.81Å; Y607-V665 HydrophobicContact CE1-CG1 3.8Å
608	W	89.1	Confident	84.8	Confident	18 Å²	18	68.1 Å²	68.1	7%	0.068	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	114.3	-169.9	-174.5	-97.5	0	0	0	111.3	P588 E589 F591 S619 V621 I650 T654	P588-W608 CarbonylContact C-O 3.36Å; P588-W608 VanDerWaalsContact CA-O 3.3Å; P588-W608 WeakPolarHBondContact CA-O 3.2Å; E589-W608 PolarHBondContact N-O 2.9Å; E589-W608 PolarHBondContact O-N 3.47Å; F591-W608 HydrophobicContact CE1-CB 3.58Å; F591-W608 HydrophobicContact CE1-CG 4.02Å; F591-W608 HydrophobicContact CZ-CB 4.07Å; F591-W608 HydrophobicContact CZ-CE3 4.43Å; F591-W608 HydrophobicContact CZ-CG 4.36Å; W608-S619 WeakPolarHBondContact CH2-O 3.21Å; W608-S619 WeakPolarHBondContact CZ2-O 3.27Å; W608-V621 HydrophobicContact CH2-CB 4.05Å; W608-V621 HydrophobicContact CZ3-CB 4.25Å; W608-I650 HydrophobicContact CE3-CG2 4.12Å; W608-I650 HydrophobicContact CZ3-CG2 3.85Å; W608-T654 HydrophobicContact CD2-CG2 3.72Å; W608-T654 HydrophobicContact CE3-CG2 4.2Å; W608-T654 HydrophobicContact CG-CG2 4Å; W608-T654 HydrophobicContact CZ2-CG2 4.16Å
609	F	88.6	Confident	85.5	Confident	11 Å²	11	65.4 Å²	65.4	5%	0.048	35%	0.351	C	S	.	.			trans	-92.5	129.4	177.5	-72	-83.7	0	0	0	110.8	W579 Y584 P588 N618 S619	W579-F609 HydrophobicContact CB-CE1 4.46Å; W579-F609 HydrophobicContact CB-CE2 4.41Å; W579-F609 HydrophobicContact CB-CZ 3.64Å; W579-F609 AromaticContact CD1-CE2 3.92Å; W579-F609 AromaticContact CD1-CZ 3.88Å; W579-F609 HydrophobicContact CD2-CE2 4.44Å; W579-F609 AromaticContact CD2-CZ 3.82Å; W579-F609 HydrophobicContact CD2-CZ 3.82Å; W579-F609 HydrophobicContact CE3-CZ 4.31Å; W579-F609 HydrophobicContact CG-CE2 4.01Å; W579-F609 AromaticContact CG-CZ 3.49Å; W579-F609 HydrophobicContact CG-CZ 3.49Å; W579-F609 VanDerWaalsContact CG-CZ 3.49Å; Y584-F609 HydrophobicContact CD1-CB 4.26Å; Y584-F609 AromaticContact CD1-CD1 3.24Å; Y584-F609 HydrophobicContact CD1-CD1 3.24Å; Y584-F609 HydrophobicContact CD1-CD2 4.33Å; Y584-F609 AromaticContact CD1-CE1 3.52Å; Y584-F609 HydrophobicContact CD1-CE1 3.52Å; Y584-F609 AromaticContact CD1-CG 3.68Å; Y584-F609 HydrophobicContact CD1-CG 3.68Å; Y584-F609 HydrophobicContact CD1-CZ 4.19Å; Y584-F609 HydrophobicContact CD2-CD1 4.28Å; Y584-F609 AromaticContact CD2-CE1 3.68Å; Y584-F609 HydrophobicContact CD2-CE1 3.68Å; Y584-F609 AromaticContact CD2-CZ 3.85Å; Y584-F609 HydrophobicContact CD2-CZ 3.85Å; Y584-F609 HydrophobicContact CE1-CB 4.12Å; Y584-F609 AromaticContact CE1-CD1 3.63Å; Y584-F609 HydrophobicContact CE1-CD1 3.63Å; Y584-F609 AromaticContact CE1-CD2 3.85Å; Y584-F609 HydrophobicContact CE1-CD2 3.85Å; Y584-F609 AromaticContact CE1-CE1 3.95Å; Y584-F609 HydrophobicContact CE1-CE1 3.95Å; Y584-F609 HydrophobicContact CE1-CE2 4.16Å; Y584-F609 AromaticContact CE1-CG 3.57Å; Y584-F609 HydrophobicContact CE1-CG 3.57Å; Y584-F609 HydrophobicContact CE1-CZ 4.2Å; Y584-F609 HydrophobicContact CE2-CE1 4.11Å; Y584-F609 HydrophobicContact CE2-CE2 4.19Å; Y584-F609 AromaticContact CE2-CZ 3.89Å; Y584-F609 HydrophobicContact CE2-CZ 3.89Å; Y584-F609 AromaticContact CG-CD1 3.59Å; Y584-F609 HydrophobicContact CG-CD1 3.59Å; Y584-F609 AromaticContact CG-CE1 3.36Å; Y584-F609 HydrophobicContact CG-CE1 3.36Å; Y584-F609 HydrophobicContact CG-CG 4.38Å; Y584-F609 HydrophobicContact CG-CZ 4Å; Y584-F609 AromaticContact CZ-CE2 3.97Å; P588-F609 HydrophobicContact CB-CD1 4.16Å; P588-F609 HydrophobicContact CB-CD2 4.07Å; P588-F609 HydrophobicContact CB-CE1 3.87Å; P588-F609 HydrophobicContact CB-CE2 3.77Å; P588-F609 HydrophobicContact CB-CG 4.25Å; P588-F609 HydrophobicContact CB-CZ 3.66Å; P588-F609 HydrophobicContact CG-CE1 4Å; P588-F609 HydrophobicContact CG-CE2 4.06Å; P588-F609 HydrophobicContact CG-CZ 3.6Å; F609-N618 CarbonylContact O-C 3.51Å; F609-N618 WeakPolarHBondContact O-CA 3.48Å; F609-S619 PolarHBondContact N-OG 3.05Å; F609-S619 PolarHBondContact O-N 2.91Å
610	Q	83.7	Confident	86.1	Confident	64 Å²	64	64.2 Å²	64.2	30%	0.299	33%	0.327	S	S	.	.			trans	-149	155.8	177.5	-164.6	163.8	-41.2	0	0	109.9	N586 E612 N618	N586-Q610 PolarHBondContact ND2-O 3.35Å; Q610-E612 VanDerWaalsContact C-N 3.34Å; Q610-N618 VanDerWaalsContact C-OD1 3.3Å; Q610-N618 WeakPolarHBondContact CA-OD1 3.41Å
611	Y	84	Confident	86.4	Confident	70 Å²	70	57.3 Å²	57.3	28%	0.275	30%	0.302	S	S	.	.	S	Bend	trans	69.5	25.3	-179	-39.6	-75.5	0	0	0	114.5	G569 K570 N586 N618 P659 Y662	G569-Y611 WeakPolarHBondContact CA-O 3.3Å; K570-Y611 HydrophobicContact CD-CD2 3.68Å; K570-Y611 HydrophobicContact CD-CE2 3.93Å; K570-Y611 HydrophobicContact CD-CG 4.01Å; K570-Y611 HydrophobicContact CG-CD2 4.23Å; K570-Y611 HydrophobicContact CG-CG 4.2Å; N586-Y611 VanDerWaalsContact ND2-C 3.26Å; N586-Y611 PolarHBondContact ND2-O 3.45Å; Y611-N618 PolarHBondContact N-OD1 3.23Å; Y611-P659 PolarHBondContact OH-O 3.18Å; Y611-Y662 HydrophobicContact CD2-CD2 4.45Å
612	E	86.1	Confident	86.4	Confident	14 Å²	14	55.9 Å²	55.9	7%	0.065	29%	0.287	C	S	.	.			trans	-69.9	142.5	171.8	-66.4	-62.5	114.5	0	0	112.1	Y584 D585 N586 Q610 D614 L617 N618	Y584-E612 VanDerWaalsContact CA-OE2 3.3Å; Y584-E612 WeakPolarHBondContact CA-OE2 3.49Å; Y584-E612 HydrophobicContact CD1-CG 4.17Å; D585-E612 PolarHBondContact N-OE1 3.31Å; D585-E612 PolarHBondContact N-OE2 3.29Å; N586-E612 VanDerWaalsContact CB-OE1 3.3Å; N586-E612 WeakPolarHBondContact CB-OE1 3.43Å; N586-E612 PolarHBondContact N-OE1 2.96Å; N586-E612 PolarHBondContact ND2-OE1 3.43Å; Q610-E612 VanDerWaalsContact C-N 3.34Å; E612-D614 VanDerWaalsContact C-N 3.33Å; E612-D614 WeakPolarHBondContact CB-O 3.27Å; E612-L617 HydrophobicContact CB-CB 4.01Å; E612-L617 HydrophobicContact CG-CB 3.79Å; E612-N618 PolarHBondContact N-OD1 2.79Å; E612-N618 VanDerWaalsContact N-OD1 3.14Å
613	S	83.8	Confident	86.4	Confident	67 Å²	67	59.1 Å²	59.1	47%	0.469	30%	0.304	S	S	.	.	S	Bend	trans	-67.9	-35.5	175.3	-47.4	0	0	0	0	111.7	D585	D585-S613 WeakPolarHBondContact OD2-CB 3.38Å; D585-S613 PolarHBondContact OD2-N 3.43Å; D585-S613 PolarHBondContact OD2-OG 2.86Å
614	D	84.6	Confident	86.4	Confident	81 Å²	81	50.5 Å²	50.5	43%	0.433	27%	0.274	S	S	.	.	S	Bend	trans	-85.2	110.8	165.7	-175.5	-20.5	0	0	0	109	E612 S616 L617	E612-D614 VanDerWaalsContact C-N 3.33Å; E612-D614 WeakPolarHBondContact CB-O 3.27Å; D614-S616 PolarHBondContact O-N 3.39Å; D614-S616 VanDerWaalsContact O-N 3.08Å; D614-S616 VanDerWaalsContact OD1-CB 3.3Å; D614-S616 WeakPolarHBondContact OD1-CB 3.46Å; D614-S616 PolarHBondContact OD1-N 3.13Å; D614-S616 PolarHBondContact OD1-OG 2.71Å; D614-S616 PolarHBondContact OD2-OG 3.17Å; D614-L617 HydrophobicContact CB-CD1 4.09Å; D614-L617 HydrophobicContact CB-CG 4.09Å; D614-L617 PolarHBondContact O-N 3.12Å; D614-L617 VanDerWaalsContact O-N 3.09Å
615	S	84.4	Confident	86.3	Confident	100 Å²	100	48.1 Å²	48.1	70%	0.699	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-60.7	-21.8	-177.6	63.6	0	0	0	0	114.3	L617 N618	S615-L617 VanDerWaalsContact C-N 3.31Å; S615-L617 PolarHBondContact O-N 2.78Å; S615-N618 VanDerWaalsContact CA-ND2 3.33Å; S615-N618 WeakPolarHBondContact CA-ND2 3.35Å; S615-N618 PolarHBondContact O-ND2 3.17Å
616	S	85.9	Confident	86.2	Confident	89 Å²	89	48.8 Å²	48.8	62%	0.622	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-76.9	-12	178.4	74.5	0	0	0	0	114.5	D614	D614-S616 PolarHBondContact O-N 3.39Å; D614-S616 VanDerWaalsContact O-N 3.08Å; D614-S616 VanDerWaalsContact OD1-CB 3.3Å; D614-S616 WeakPolarHBondContact OD1-CB 3.46Å; D614-S616 PolarHBondContact OD1-N 3.13Å; D614-S616 PolarHBondContact OD1-OG 2.71Å; D614-S616 PolarHBondContact OD2-OG 3.17Å
617	L	86.8	Confident	86.1	Confident	27 Å²	27	55 Å²	55	14%	0.141	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-85.6	-20.1	174.7	-66.3	-178.5	0	0	0	113	K582 Y584 E612 D614 S615	K582-L617 HydrophobicContact CD-CD2 4.14Å; Y584-L617 HydrophobicContact CD1-CB 3.97Å; Y584-L617 HydrophobicContact CD1-CD1 4.35Å; Y584-L617 HydrophobicContact CE1-CB 3.81Å; Y584-L617 HydrophobicContact CE1-CD2 4.22Å; Y584-L617 HydrophobicContact CE1-CG 4.44Å; Y584-L617 WeakPolarHBondContact CE1-O 3.12Å; E612-L617 HydrophobicContact CB-CB 4.01Å; E612-L617 HydrophobicContact CG-CB 3.79Å; D614-L617 HydrophobicContact CB-CD1 4.09Å; D614-L617 HydrophobicContact CB-CG 4.09Å; D614-L617 PolarHBondContact O-N 3.12Å; D614-L617 VanDerWaalsContact O-N 3.09Å; S615-L617 VanDerWaalsContact C-N 3.31Å; S615-L617 PolarHBondContact O-N 2.78Å
618	N	87.8	Confident	85.9	Confident	50 Å²	50	50.7 Å²	50.7	27%	0.267	27%	0.273	S	S	.	.	S	Bend	trans	-62.6	144.1	176.1	-58.4	-78.2	0	0	0	111.2	F609 Q610 Y611 E612 S615 N620	F609-N618 CarbonylContact O-C 3.51Å; F609-N618 WeakPolarHBondContact O-CA 3.48Å; Q610-N618 VanDerWaalsContact C-OD1 3.3Å; Q610-N618 WeakPolarHBondContact CA-OD1 3.41Å; Y611-N618 PolarHBondContact N-OD1 3.23Å; E612-N618 PolarHBondContact N-OD1 2.79Å; E612-N618 VanDerWaalsContact N-OD1 3.14Å; S615-N618 VanDerWaalsContact CA-ND2 3.33Å; S615-N618 WeakPolarHBondContact CA-ND2 3.35Å; S615-N618 PolarHBondContact O-ND2 3.17Å; N618-N620 PolarHBondContact O-N 2.7Å
619	S	88.2	Confident	85.7	Confident	24 Å²	24	50 Å²	50	17%	0.168	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-65.6	121.3	-177.3	-72.6	0	0	0	0	112.4	W608 F609	W608-S619 WeakPolarHBondContact CH2-O 3.21Å; W608-S619 WeakPolarHBondContact CZ2-O 3.27Å; F609-S619 PolarHBondContact N-OG 3.05Å; F609-S619 PolarHBondContact O-N 2.91Å
620	N	88.9	Confident	85.5	Confident	50 Å²	50	52.5 Å²	52.5	27%	0.267	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-83.3	123.9	167.5	178.7	4.2	0	0	0	110.1	N618 Y622 D623 V624	N618-N620 PolarHBondContact O-N 2.7Å; N620-Y622 VanDerWaalsContact C-N 3.27Å; N620-Y622 PolarHBondContact O-N 3.28Å; N620-Y622 PolarHBondContact OD1-N 3.17Å; N620-Y622 VanDerWaalsContact OD1-N 3.12Å; N620-D623 HydrophobicContact CB-CB 4.16Å; N620-D623 VanDerWaalsContact CB-OD2 3.25Å; N620-D623 WeakPolarHBondContact CB-OD2 3.43Å; N620-D623 VanDerWaalsContact ND2-CG 3.27Å; N620-D623 PolarHBondContact ND2-OD2 3.11Å; N620-D623 PolarHBondContact O-N 2.94Å; N620-V624 WeakPolarHBondContact O-CG2 3.32Å; N620-V624 PolarHBondContact O-N 3.03Å
621	V	86.4	Confident	85.6	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.024	30%	0.299	C	S	.	.	H	α-helix	trans	-61.3	-33.2	-178.1	68.9	0	0	0	0	113.5	W608 A625 V647 I650 L651	W608-V621 HydrophobicContact CH2-CB 4.05Å; W608-V621 HydrophobicContact CZ3-CB 4.25Å; V621-A625 WeakPolarHBondContact O-CB 3.26Å; V621-A625 PolarHBondContact O-N 2.95Å; V621-V647 HydrophobicContact CG1-CG1 4.02Å; V621-V647 HydrophobicContact CG2-CB 4.28Å; V621-V647 HydrophobicContact CG2-CG1 3.97Å; V621-V647 HydrophobicContact CG2-CG2 4.3Å; V621-I650 HydrophobicContact CG2-CB 3.76Å; V621-I650 HydrophobicContact CG2-CD1 4.19Å; V621-I650 HydrophobicContact CG2-CG2 3.68Å; V621-L651 HydrophobicContact CB-CD2 4.33Å; V621-L651 HydrophobicContact CG1-CD2 4.19Å; V621-L651 HydrophobicContact CG1-CG 4.5Å; V621-L651 HydrophobicContact CG2-CD2 4.21Å; V621-L651 HydrophobicContact CG2-CG 4.11Å
622	Y	84.2	Confident	85.6	Confident	58 Å²	58	53.7 Å²	53.7	23%	0.227	29%	0.293	C	S	.	.	H	α-helix	trans	-72.5	-40.6	178.6	-69.2	-76.8	0	0	0	111.8	N620 A625 M626 V647 A723	N620-Y622 VanDerWaalsContact C-N 3.27Å; N620-Y622 PolarHBondContact O-N 3.28Å; N620-Y622 PolarHBondContact OD1-N 3.17Å; N620-Y622 VanDerWaalsContact OD1-N 3.12Å; Y622-A625 PolarHBondContact O-N 3.33Å; Y622-M626 VanDerWaalsContact O-CB 3.3Å; Y622-M626 WeakPolarHBondContact O-CB 3.46Å; Y622-M626 PolarHBondContact O-N 2.77Å; Y622-V647 HydrophobicContact CD1-CG2 3.66Å; Y622-V647 HydrophobicContact CE1-CG1 4.15Å; Y622-V647 HydrophobicContact CE1-CG2 3.89Å; Y622-V647 HydrophobicContact CG-CG2 4.36Å; Y622-A723 HydrophobicContact CD2-CB 4.34Å; Y622-A723 HydrophobicContact CE2-CB 4.18Å
623	D	85.3	Confident	85.5	Confident	89 Å²	89	53.6 Å²	53.6	48%	0.476	29%	0.292	S	S	.	.	H	α-helix	trans	-68.8	-40.2	178.5	-61.6	-32.5	0	0	0	111.3	N620 M626 K627	N620-D623 HydrophobicContact CB-CB 4.16Å; N620-D623 VanDerWaalsContact CB-OD2 3.25Å; N620-D623 WeakPolarHBondContact CB-OD2 3.43Å; N620-D623 VanDerWaalsContact ND2-CG 3.27Å; N620-D623 PolarHBondContact ND2-OD2 3.11Å; N620-D623 PolarHBondContact O-N 2.94Å; D623-M626 PolarHBondContact O-N 3.31Å; D623-K627 WeakPolarHBondContact O-CB 3.42Å; D623-K627 WeakPolarHBondContact O-CG 3.3Å; D623-K627 PolarHBondContact O-N 2.82Å
624	V	86.3	Confident	84.9	Confident	24 Å²	24	55.3 Å²	55.3	15%	0.145	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-48.2	172.9	174.3	0	0	0	0	110.4	V606 N620 M626 K627 L628 I650	V606-V624 HydrophobicContact CG1-CG1 3.76Å; N620-V624 WeakPolarHBondContact O-CG2 3.32Å; N620-V624 PolarHBondContact O-N 3.03Å; V624-M626 VanDerWaalsContact C-N 3.34Å; V624-M626 PolarHBondContact O-N 2.86Å; V624-K627 PolarHBondContact O-N 2.81Å; V624-L628 HydrophobicContact CG1-CD1 3.92Å; V624-L628 WeakPolarHBondContact O-CD1 3.44Å; V624-L628 VanDerWaalsContact O-CG 3.23Å; V624-L628 WeakPolarHBondContact O-CG 3.27Å; V624-L628 PolarHBondContact O-N 2.9Å; V624-I650 HydrophobicContact CB-CD1 4.42Å; V624-I650 HydrophobicContact CG1-CD1 3.85Å
625	A	85.1	Confident	84.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.9	-42.2	176.7	0	0	0	0	0	112.5	V621 Y622 L628 V629 V643 V646 V647 I650	V621-A625 WeakPolarHBondContact O-CB 3.26Å; V621-A625 PolarHBondContact O-N 2.95Å; Y622-A625 PolarHBondContact O-N 3.33Å; A625-L628 PolarHBondContact O-N 3.39Å; A625-V629 WeakPolarHBondContact O-CG2 3.18Å; A625-V629 PolarHBondContact O-N 2.83Å; A625-V643 HydrophobicContact CB-CG1 4.26Å; A625-V646 HydrophobicContact CB-CB 4.01Å; A625-V646 HydrophobicContact CB-CG1 3.64Å; A625-V647 HydrophobicContact CB-CG2 3.55Å; A625-I650 HydrophobicContact CB-CD1 4.27Å
626	M	84.2	Confident	83.4	Confident	75 Å²	75	54.1 Å²	54.1	37%	0.369	30%	0.302	S	S	.	.	H	α-helix	trans	-67.4	-42.6	178.6	-166.8	64.2	73.8	0	0	112	Y622 D623 V624 L628 V629 T630 F637 V643	Y622-M626 VanDerWaalsContact O-CB 3.3Å; Y622-M626 WeakPolarHBondContact O-CB 3.46Å; Y622-M626 PolarHBondContact O-N 2.77Å; D623-M626 PolarHBondContact O-N 3.31Å; V624-M626 VanDerWaalsContact C-N 3.34Å; V624-M626 PolarHBondContact O-N 2.86Å; M626-L628 VanDerWaalsContact C-N 3.32Å; M626-L628 PolarHBondContact O-N 3.05Å; M626-V629 PolarHBondContact O-N 3.21Å; M626-T630 VanDerWaalsContact O-CB 3.3Å; M626-T630 WeakPolarHBondContact O-CB 3.34Å; M626-T630 PolarHBondContact O-N 3.43Å; M626-T630 PolarHBondContact O-OG1 2.92Å; M626-F637 HydrophobicContact SD-CE2 4.27Å; M626-V643 HydrophobicContact CE-CG1 4.42Å; M626-V643 HydrophobicContact CE-CG2 4.05Å; M626-V643 HydrophobicContact SD-CG2 4.26Å
627	K	85.3	Confident	81.8	Confident	136 Å²	136	55.6 Å²	55.6	59%	0.591	30%	0.297	S	S	*	.	H	α-helix	trans	-55.2	-47	171.6	-82.6	-172.8	172.7	-168.4	0	110.8	D580 D623 V624 K631	D580-K627 IonicContact OD2-NZ 3.81Å; D580-K627 PolarHBondContact OD2-NZ 2.87Å; D580-K627 VanDerWaalsContact OD2-NZ 3.13Å; D623-K627 WeakPolarHBondContact O-CB 3.42Å; D623-K627 WeakPolarHBondContact O-CG 3.3Å; D623-K627 PolarHBondContact O-N 2.82Å; V624-K627 PolarHBondContact O-N 2.81Å; K627-K631 VanDerWaalsContact O-CB 3.26Å; K627-K631 WeakPolarHBondContact O-CB 3.33Å; K627-K631 PolarHBondContact O-N 3.14Å
628	L	85.8	Confident	80.4	Confident	14 Å²	14	57.6 Å²	57.6	7%	0.073	32%	0.324	C	S	.	.	H	α-helix	trans	-64.6	-48.2	-179.8	-69.7	163.6	0	0	0	113	I593 L595 E604 V606 V624 A625 M626 T630 K631 H632 V646 I650	I593-L628 HydrophobicContact CD1-CD1 3.51Å; I593-L628 HydrophobicContact CD1-CD2 3.88Å; I593-L628 HydrophobicContact CD1-CG 4.26Å; L595-L628 HydrophobicContact CD1-CB 4.37Å; E604-L628 HydrophobicContact CB-CD2 4.43Å; E604-L628 HydrophobicContact CG-CD2 3.68Å; V606-L628 HydrophobicContact CG2-CD1 3.94Å; V624-L628 HydrophobicContact CG1-CD1 3.92Å; V624-L628 WeakPolarHBondContact O-CD1 3.44Å; V624-L628 VanDerWaalsContact O-CG 3.23Å; V624-L628 WeakPolarHBondContact O-CG 3.27Å; V624-L628 PolarHBondContact O-N 2.9Å; A625-L628 PolarHBondContact O-N 3.39Å; M626-L628 VanDerWaalsContact C-N 3.32Å; M626-L628 PolarHBondContact O-N 3.05Å; L628-T630 VanDerWaalsContact C-N 3.34Å; L628-T630 PolarHBondContact O-N 2.83Å; L628-K631 PolarHBondContact O-N 3.39Å; L628-H632 PolarHBondContact O-CD2 3.25Å; L628-H632 VanDerWaalsContact O-CD2 3.31Å; L628-H632 PolarHBondContact O-N 3.12Å; L628-H632 VanDerWaalsContact O-N 3.08Å; L628-V646 HydrophobicContact CD1-CG1 3.95Å; L628-I650 HydrophobicContact CD1-CD1 4.02Å
629	V	84.1	Confident	79.5	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.018	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-46	177.7	171.6	0	0	0	0	110.3	A625 M626 K631 H632 F633 L642 V643 V646	A625-V629 WeakPolarHBondContact O-CG2 3.18Å; A625-V629 PolarHBondContact O-N 2.83Å; M626-V629 PolarHBondContact O-N 3.21Å; V629-K631 PolarHBondContact O-N 2.84Å; V629-H632 PolarHBondContact O-N 2.84Å; V629-F633 CarbonylContact O-C 3.56Å; V629-F633 WeakPolarHBondContact O-CA 2.91Å; V629-F633 WeakPolarHBondContact O-CB 3.49Å; V629-F633 PolarHBondContact O-N 3.4Å; V629-L642 HydrophobicContact CG1-CD2 3.8Å; V629-L642 HydrophobicContact CG1-CG 4.28Å; V629-L642 HydrophobicContact CG2-CD2 4.2Å; V629-L642 HydrophobicContact CG2-CG 3.89Å; V629-V643 HydrophobicContact CG2-CG2 4.23Å; V629-V646 HydrophobicContact CG2-CG2 3.89Å
630	T	83.7	Confident	78.8	Confident	63 Å²	63	61.6 Å²	61.6	39%	0.387	34%	0.341	S	S	.	.	H	α-helix	trans	-62	-40.7	178.3	-52.7	0	0	0	0	112.3	M626 L628 F637	M626-T630 VanDerWaalsContact O-CB 3.3Å; M626-T630 WeakPolarHBondContact O-CB 3.34Å; M626-T630 PolarHBondContact O-N 3.43Å; M626-T630 PolarHBondContact O-OG1 2.92Å; L628-T630 VanDerWaalsContact C-N 3.34Å; L628-T630 PolarHBondContact O-N 2.83Å; T630-F637 HydrophobicContact CG2-CE2 4.44Å
631	K	86.4	Confident	78.2	Confident	129 Å²	129	65.4 Å²	65.4	56%	0.561	36%	0.36	S	S	*	.	H	α-helix	trans	-68.5	-41.1	-178.9	179.2	178.3	169.6	-174.1	0	113.2	E604 K627 L628 V629	E604-K631 IonicContact OE1-NZ 2.78Å; E604-K631 PolarHBondContact OE1-NZ 2.99Å; E604-K631 IonicContact OE2-NZ 2.68Å; K627-K631 VanDerWaalsContact O-CB 3.26Å; K627-K631 WeakPolarHBondContact O-CB 3.33Å; K627-K631 PolarHBondContact O-N 3.14Å; L628-K631 PolarHBondContact O-N 3.39Å; V629-K631 PolarHBondContact O-N 2.84Å
632	H	84.1	Confident	77.9	Confident	30 Å²	30	65.3 Å²	65.3	14%	0.139	36%	0.359	C	S	.	.	H	α-helix	trans	-109.8	-19.2	-168.6	-61.7	-83.1	0	0	0	114.8	R600 V602 E604 L628 V629	R600-H632 PolarHBondContact NH1-O 3.22Å; V602-H632 HydrophobicContact CG1-CB 4.09Å; V602-H632 WeakPolarHBondContact CG1-ND1 3.43Å; V602-H632 HydrophobicContact CG2-CB 4.29Å; E604-H632 VanDerWaalsContact CD-NE2 3.34Å; E604-H632 IonicContact OE1-NE2 3.15Å; E604-H632 IonicContact OE2-CE1 2.8Å; E604-H632 PolarHBondContact OE2-CE1 2.96Å; E604-H632 IonicContact OE2-NE2 2.7Å; E604-H632 PolarHBondContact OE2-NE2 3.36Å; L628-H632 PolarHBondContact O-CD2 3.25Å; L628-H632 VanDerWaalsContact O-CD2 3.31Å; L628-H632 PolarHBondContact O-N 3.12Å; L628-H632 VanDerWaalsContact O-N 3.08Å; V629-H632 PolarHBondContact O-N 2.84Å
633	F	83.4	Confident	77.7	Confident	13 Å²	13	63.2 Å²	63.2	6%	0.057	35%	0.353	C	S	.	.			trans	-126.7	51.6	177.3	-54.7	-86.9	0	0	0	111.8	L595 W597 R600 V602 V629 G635 E636 L642	L595-F633 HydrophobicContact CB-CE2 4.16Å; L595-F633 HydrophobicContact CB-CZ 4.34Å; L595-F633 HydrophobicContact CD1-CE2 4.29Å; W597-F633 HydrophobicContact CB-CD1 4.22Å; W597-F633 HydrophobicContact CB-CE1 3.74Å; W597-F633 HydrophobicContact CB-CZ 4.12Å; R600-F633 HydrophobicContact CB-CE1 4.31Å; V602-F633 HydrophobicContact CG2-CE2 4.42Å; V602-F633 HydrophobicContact CG2-CZ 3.94Å; V629-F633 CarbonylContact O-C 3.56Å; V629-F633 WeakPolarHBondContact O-CA 2.91Å; V629-F633 WeakPolarHBondContact O-CB 3.49Å; V629-F633 PolarHBondContact O-N 3.4Å; F633-G635 PolarHBondContact O-N 3.31Å; F633-E636 HydrophobicContact CB-CB 4.12Å; F633-E636 HydrophobicContact CB-CG 4Å; F633-E636 PolarHBondContact O-N 3.12Å; F633-L642 HydrophobicContact CB-CD2 4.29Å; F633-L642 HydrophobicContact CD2-CD2 4.4Å; F633-L642 HydrophobicContact CG-CD2 4.26Å
634	P	72.6	Confident	77.5	Confident	102 Å²	102	62.9 Å²	62.9	66%	0.662	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	111.3	179.1	27.7	-35.2	0	0	0	110.4
635	G	68	Low	77.3	Confident	72 Å²	72	66.2 Å²	66.2	74%	0.742	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	130.2	-31.8	-171.8	0	0	0	0	0	113	F633 F637	F633-G635 PolarHBondContact O-N 3.31Å; G635-F637 PolarHBondContact O-N 2.95Å; G635-F637 VanDerWaalsContact O-N 3.11Å
636	E	68.7	Low	77.2	Confident	84 Å²	84	66.3 Å²	66.3	39%	0.393	36%	0.361	S	S	.	.			trans	-81.6	21.7	176.8	-61.6	-69.6	132.3	0	0	112.8	W597 F633 G638 S639 L642	W597-E636 PolarHBondContact NE1-OE2 2.89Å; F633-E636 HydrophobicContact CB-CB 4.12Å; F633-E636 HydrophobicContact CB-CG 4Å; F633-E636 PolarHBondContact O-N 3.12Å; E636-G638 PolarHBondContact O-N 2.9Å; E636-S639 VanDerWaalsContact O-CB 3.29Å; E636-S639 WeakPolarHBondContact O-CB 3.38Å; E636-S639 PolarHBondContact O-N 2.77Å; E636-L642 HydrophobicContact CB-CD2 3.99Å; E636-L642 HydrophobicContact CG-CD2 4.4Å
637	F	51.5	Low	77.3	Confident	121 Å²	121	62.9 Å²	62.9	53%	0.531	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	116.4	-171.6	-160.4	-93.2	0	0	0	110.1	M626 T630 G635	M626-F637 HydrophobicContact SD-CE2 4.27Å; T630-F637 HydrophobicContact CG2-CE2 4.44Å; G635-F637 PolarHBondContact O-N 2.95Å; G635-F637 VanDerWaalsContact O-N 3.11Å
638	G	57.6	Low	77.2	Confident	68 Å²	68	62.7 Å²	62.7	70%	0.701	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.5	-2.4	-170.1	0	0	0	0	0	115	E636 E640	E636-G638 PolarHBondContact O-N 2.9Å; G638-E640 VanDerWaalsContact C-N 3.32Å; G638-E640 PolarHBondContact O-N 3Å
639	S	70.1	Confident	77.1	Confident	25 Å²	25	64 Å²	64	18%	0.175	35%	0.354	C	S	.	.			trans	-70.6	84.9	169.9	-175.4	0	0	0	0	111	W597 E636 I641 L642 V643	W597-S639 WeakPolarHBondContact CZ2-OG 3.21Å; E636-S639 VanDerWaalsContact O-CB 3.29Å; E636-S639 WeakPolarHBondContact O-CB 3.38Å; E636-S639 PolarHBondContact O-N 2.77Å; S639-I641 PolarHBondContact O-N 2.88Å; S639-L642 PolarHBondContact O-N 2.93Å; S639-L642 VanDerWaalsContact O-N 3.07Å; S639-L642 WeakPolarHBondContact OG-CB 3.3Å; S639-V643 PolarHBondContact O-N 3.46Å
640	E	72.3	Confident	77.1	Confident	133 Å²	133	63.9 Å²	63.9	62%	0.621	35%	0.354	S	S	*	.	H	α-helix	trans	-54.4	-39.3	178.6	-175.8	178.8	-173.5	0	0	111.4	G638 L642 V643 Q644	G638-E640 VanDerWaalsContact C-N 3.32Å; G638-E640 PolarHBondContact O-N 3Å; E640-L642 VanDerWaalsContact C-N 3.34Å; E640-L642 PolarHBondContact O-N 3.12Å; E640-V643 PolarHBondContact O-N 3.48Å; E640-Q644 HydrophobicContact CG-CG 3.97Å; E640-Q644 WeakPolarHBondContact O-CB 3.08Å; E640-Q644 WeakPolarHBondContact O-CG 3.33Å; E640-Q644 PolarHBondContact O-N 3.22Å
641	I	77.8	Confident	77.1	Confident	130 Å²	130	64.2 Å²	64.2	67%	0.667	35%	0.353	S	S	*	.	H	α-helix	trans	-60.6	-41.8	178.6	-59	174.2	0	0	0	111.3	W597 S639 K645	W597-I641 HydrophobicContact CH2-CB 4.26Å; W597-I641 HydrophobicContact CH2-CG2 4.05Å; W597-I641 HydrophobicContact CZ3-CG2 4.23Å; S639-I641 PolarHBondContact O-N 2.88Å; I641-K645 WeakPolarHBondContact O-CB 3.49Å; I641-K645 PolarHBondContact O-N 3.09Å
642	L	78.9	Confident	76.8	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-67.1	-46.4	175.6	174.2	56.1	0	0	0	110.9	W597 V629 F633 E636 S639 E640 Q644 K645 V646	W597-L642 HydrophobicContact CB-CD1 3.97Å; W597-L642 HydrophobicContact CD2-CB 4.11Å; W597-L642 HydrophobicContact CD2-CD1 3.81Å; W597-L642 HydrophobicContact CD2-CD2 4.11Å; W597-L642 HydrophobicContact CD2-CG 4.22Å; W597-L642 HydrophobicContact CE3-CB 4.1Å; W597-L642 HydrophobicContact CE3-CD1 3.78Å; W597-L642 HydrophobicContact CE3-CG 4.41Å; W597-L642 HydrophobicContact CG-CD1 3.92Å; W597-L642 HydrophobicContact CG-CD2 3.98Å; W597-L642 HydrophobicContact CG-CG 4.44Å; W597-L642 HydrophobicContact CH2-CB 4.08Å; W597-L642 HydrophobicContact CZ2-CB 4.1Å; W597-L642 HydrophobicContact CZ3-CB 4.08Å; V629-L642 HydrophobicContact CG1-CD2 3.8Å; V629-L642 HydrophobicContact CG1-CG 4.28Å; V629-L642 HydrophobicContact CG2-CD2 4.2Å; V629-L642 HydrophobicContact CG2-CG 3.89Å; F633-L642 HydrophobicContact CB-CD2 4.29Å; F633-L642 HydrophobicContact CD2-CD2 4.4Å; F633-L642 HydrophobicContact CG-CD2 4.26Å; E636-L642 HydrophobicContact CB-CD2 3.99Å; E636-L642 HydrophobicContact CG-CD2 4.4Å; S639-L642 PolarHBondContact O-N 2.93Å; S639-L642 VanDerWaalsContact O-N 3.07Å; S639-L642 WeakPolarHBondContact OG-CB 3.3Å; E640-L642 VanDerWaalsContact C-N 3.34Å; E640-L642 PolarHBondContact O-N 3.12Å; L642-Q644 PolarHBondContact O-N 3.44Å; L642-K645 WeakPolarHBondContact O-CB 3.48Å; L642-K645 PolarHBondContact O-N 2.87Å; L642-V646 HydrophobicContact CD1-CG2 4.23Å; L642-V646 WeakPolarHBondContact O-CG2 3.4Å; L642-V646 PolarHBondContact O-N 2.9Å
643	V	81.6	Confident	76.5	Confident	14 Å²	14	64.8 Å²	64.8	9%	0.085	36%	0.357	C	S	.	.	H	α-helix	trans	-60.2	-46.3	178	177.6	0	0	0	0	110.9	A625 M626 V629 S639 E640 K645 V646 V647	A625-V643 HydrophobicContact CB-CG1 4.26Å; M626-V643 HydrophobicContact CE-CG1 4.42Å; M626-V643 HydrophobicContact CE-CG2 4.05Å; M626-V643 HydrophobicContact SD-CG2 4.26Å; V629-V643 HydrophobicContact CG2-CG2 4.23Å; S639-V643 PolarHBondContact O-N 3.46Å; E640-V643 PolarHBondContact O-N 3.48Å; V643-K645 VanDerWaalsContact C-N 3.34Å; V643-K645 PolarHBondContact O-N 2.91Å; V643-V646 PolarHBondContact O-N 3.19Å; V643-V646 VanDerWaalsContact O-N 3.17Å; V643-V647 HydrophobicContact CG1-CG2 4.27Å; V643-V647 WeakPolarHBondContact O-CB 3.43Å; V643-V647 VanDerWaalsContact O-CG2 3.3Å; V643-V647 WeakPolarHBondContact O-CG2 3.41Å; V643-V647 PolarHBondContact O-N 3.14Å
644	Q	81	Confident	76.1	Confident	82 Å²	82	66.1 Å²	66.1	38%	0.383	37%	0.366	S	S	.	.	H	α-helix	trans	-62.4	-37.4	176.4	-67.7	-70.7	0.1	0	0	112.2	E640 L642 V647 H648	E640-Q644 HydrophobicContact CG-CG 3.97Å; E640-Q644 WeakPolarHBondContact O-CB 3.08Å; E640-Q644 WeakPolarHBondContact O-CG 3.33Å; E640-Q644 PolarHBondContact O-N 3.22Å; L642-Q644 PolarHBondContact O-N 3.44Å; Q644-V647 PolarHBondContact O-N 2.68Å; Q644-H648 WeakPolarHBondContact O-CB 3.5Å; Q644-H648 PolarHBondContact O-N 2.84Å
645	K	82.2	Confident	76	Confident	95 Å²	95	65 Å²	65	41%	0.413	37%	0.366	S	S	.	.	H	α-helix	trans	-62.1	-43.2	172.9	-172.9	-178.1	179.8	-175.5	0	111.5	E596 I641 L642 V643 T649	E596-K645 PolarHBondContact O-NZ 2.89Å; I641-K645 WeakPolarHBondContact O-CB 3.49Å; I641-K645 PolarHBondContact O-N 3.09Å; L642-K645 WeakPolarHBondContact O-CB 3.48Å; L642-K645 PolarHBondContact O-N 2.87Å; V643-K645 VanDerWaalsContact C-N 3.34Å; V643-K645 PolarHBondContact O-N 2.91Å; K645-T649 PolarHBondContact O-N 3.12Å; K645-T649 VanDerWaalsContact O-N 3.16Å; K645-T649 PolarHBondContact O-OG1 3.17Å
646	V	83.1	Confident	75.4	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.012	36%	0.36	C	S	.	.	H	α-helix	trans	-66.8	-46.1	176.3	178.9	0	0	0	0	111.2	L595 A625 L628 V629 L642 V643 H648 T649 I650	L595-V646 HydrophobicContact CD1-CG1 4.46Å; L595-V646 HydrophobicContact CD1-CG2 3.98Å; L595-V646 HydrophobicContact CD2-CB 4.49Å; L595-V646 HydrophobicContact CD2-CG1 4.3Å; L595-V646 HydrophobicContact CD2-CG2 3.84Å; A625-V646 HydrophobicContact CB-CB 4.01Å; A625-V646 HydrophobicContact CB-CG1 3.64Å; L628-V646 HydrophobicContact CD1-CG1 3.95Å; V629-V646 HydrophobicContact CG2-CG2 3.89Å; L642-V646 HydrophobicContact CD1-CG2 4.23Å; L642-V646 WeakPolarHBondContact O-CG2 3.4Å; L642-V646 PolarHBondContact O-N 2.9Å; V643-V646 PolarHBondContact O-N 3.19Å; V643-V646 VanDerWaalsContact O-N 3.17Å; V646-H648 VanDerWaalsContact C-N 3.34Å; V646-H648 PolarHBondContact O-N 3.34Å; V646-T649 PolarHBondContact O-N 2.99Å; V646-I650 HydrophobicContact CG1-CD1 3.85Å; V646-I650 HydrophobicContact CG1-CG1 4.47Å; V646-I650 WeakPolarHBondContact O-CG1 3.45Å; V646-I650 PolarHBondContact O-N 3.1Å
647	V	84.9	Confident	74.6	Confident	3 Å²	3	72.7 Å²	72.7	2%	0.018	38%	0.378	C	S	.	.	H	α-helix	trans	-56.4	-46.3	176	166.5	0	0	0	0	111.2	V621 Y622 A625 V643 Q644 T649 I650 L651	V621-V647 HydrophobicContact CG1-CG1 4.02Å; V621-V647 HydrophobicContact CG2-CB 4.28Å; V621-V647 HydrophobicContact CG2-CG1 3.97Å; V621-V647 HydrophobicContact CG2-CG2 4.3Å; Y622-V647 HydrophobicContact CD1-CG2 3.66Å; Y622-V647 HydrophobicContact CE1-CG1 4.15Å; Y622-V647 HydrophobicContact CE1-CG2 3.89Å; Y622-V647 HydrophobicContact CG-CG2 4.36Å; A625-V647 HydrophobicContact CB-CG2 3.55Å; V643-V647 HydrophobicContact CG1-CG2 4.27Å; V643-V647 WeakPolarHBondContact O-CB 3.43Å; V643-V647 VanDerWaalsContact O-CG2 3.3Å; V643-V647 WeakPolarHBondContact O-CG2 3.41Å; V643-V647 PolarHBondContact O-N 3.14Å; Q644-V647 PolarHBondContact O-N 2.68Å; V647-T649 PolarHBondContact O-N 3.24Å; V647-I650 PolarHBondContact O-N 2.74Å; V647-L651 HydrophobicContact CG1-CD1 3.93Å; V647-L651 HydrophobicContact CG1-CG 4.29Å; V647-L651 WeakPolarHBondContact O-CB 3.46Å; V647-L651 WeakPolarHBondContact O-CG 3.49Å; V647-L651 PolarHBondContact O-N 2.8Å
648	H	83.6	Confident	74.7	Confident	132 Å²	132	72.5 Å²	72.5	61%	0.611	38%	0.382	S	S	*	.	H	α-helix	trans	-64	-39.7	178.8	-171	-81.8	0	0	0	112.3	Q644 V646 H652	Q644-H648 WeakPolarHBondContact O-CB 3.5Å; Q644-H648 PolarHBondContact O-N 2.84Å; V646-H648 VanDerWaalsContact C-N 3.34Å; V646-H648 PolarHBondContact O-N 3.34Å; H648-H652 VanDerWaalsContact O-CB 3.3Å; H648-H652 WeakPolarHBondContact O-CB 3.49Å; H648-H652 PolarHBondContact O-N 2.81Å
649	T	83.6	Confident	74.7	Confident	42 Å²	42	73.5 Å²	73.5	26%	0.258	38%	0.376	S	S	.	.	H	α-helix	trans	-61.8	-47.1	174.6	-66	0	0	0	0	111.8	I593 K645 V646 V647 H652 Q653	I593-T649 HydrophobicContact CG2-CG2 4.16Å; K645-T649 PolarHBondContact O-N 3.12Å; K645-T649 VanDerWaalsContact O-N 3.16Å; K645-T649 PolarHBondContact O-OG1 3.17Å; V646-T649 PolarHBondContact O-N 2.99Å; V647-T649 PolarHBondContact O-N 3.24Å; T649-H652 PolarHBondContact O-N 3.25Å; T649-Q653 PolarHBondContact O-N 3.26Å
650	I	83.7	Confident	74	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-62.8	-50.7	178.1	-63.6	163.7	0	0	0	110.3	F591 W608 V621 V624 A625 L628 V646 V647 H652 Q653 T654	F591-I650 HydrophobicContact CE2-CG2 4.23Å; F591-I650 HydrophobicContact CZ-CG2 4.05Å; W608-I650 HydrophobicContact CE3-CG2 4.12Å; W608-I650 HydrophobicContact CZ3-CG2 3.85Å; V621-I650 HydrophobicContact CG2-CB 3.76Å; V621-I650 HydrophobicContact CG2-CD1 4.19Å; V621-I650 HydrophobicContact CG2-CG2 3.68Å; V624-I650 HydrophobicContact CB-CD1 4.42Å; V624-I650 HydrophobicContact CG1-CD1 3.85Å; A625-I650 HydrophobicContact CB-CD1 4.27Å; L628-I650 HydrophobicContact CD1-CD1 4.02Å; V646-I650 HydrophobicContact CG1-CD1 3.85Å; V646-I650 HydrophobicContact CG1-CG1 4.47Å; V646-I650 WeakPolarHBondContact O-CG1 3.45Å; V646-I650 PolarHBondContact O-N 3.1Å; V647-I650 PolarHBondContact O-N 2.74Å; I650-H652 PolarHBondContact O-N 3.41Å; I650-Q653 PolarHBondContact O-N 2.76Å; I650-T654 HydrophobicContact CG2-CG2 4.2Å; I650-T654 PolarHBondContact O-N 2.9Å; I650-T654 PolarHBondContact O-OG1 2.85Å
651	L	83.8	Confident	73.6	Confident	70 Å²	70	76.9 Å²	76.9	37%	0.366	40%	0.397	S	S	.	.	H	α-helix	trans	-57.8	-34.9	178.2	-72.6	-180	0	0	0	112.8	V621 V647 Q653 A655	V621-L651 HydrophobicContact CB-CD2 4.33Å; V621-L651 HydrophobicContact CG1-CD2 4.19Å; V621-L651 HydrophobicContact CG1-CG 4.5Å; V621-L651 HydrophobicContact CG2-CD2 4.21Å; V621-L651 HydrophobicContact CG2-CG 4.11Å; V647-L651 HydrophobicContact CG1-CD1 3.93Å; V647-L651 HydrophobicContact CG1-CG 4.29Å; V647-L651 WeakPolarHBondContact O-CB 3.46Å; V647-L651 WeakPolarHBondContact O-CG 3.49Å; V647-L651 PolarHBondContact O-N 2.8Å; L651-Q653 VanDerWaalsContact C-N 3.35Å; L651-A655 WeakPolarHBondContact O-CB 3.45Å; L651-A655 PolarHBondContact O-N 2.89Å; L651-A655 VanDerWaalsContact O-N 3.08Å
652	H	81	Confident	73.3	Confident	110 Å²	110	72.8 Å²	72.8	51%	0.509	37%	0.373	S	S	.	.	H	α-helix	trans	-73	-26.1	177.4	174.9	-109.1	0	0	0	113.1	H648 T649 I650	H648-H652 VanDerWaalsContact O-CB 3.3Å; H648-H652 WeakPolarHBondContact O-CB 3.49Å; H648-H652 PolarHBondContact O-N 2.81Å; T649-H652 PolarHBondContact O-N 3.25Å; I650-H652 PolarHBondContact O-N 3.41Å
653	Q	76.6	Confident	73.1	Confident	61 Å²	61	77.4 Å²	77.4	29%	0.285	40%	0.401	S	S	.	.	H	α-helix	trans	-80.2	-44.5	173	-72.5	177.8	-49.2	0	0	111.4	F591 P592 T649 I650 L651 A655	F591-Q653 HydrophobicContact CD2-CB 4.01Å; F591-Q653 HydrophobicContact CE2-CB 4.17Å; F591-Q653 HydrophobicContact CG-CB 4.37Å; P592-Q653 PolarHBondContact O-NE2 2.77Å; T649-Q653 PolarHBondContact O-N 3.26Å; I650-Q653 PolarHBondContact O-N 2.76Å; L651-Q653 VanDerWaalsContact C-N 3.35Å; Q653-A655 VanDerWaalsContact C-N 3.25Å; Q653-A655 PolarHBondContact O-N 3.24Å
654	T	76.2	Confident	73	Confident	40 Å²	40	78.7 Å²	78.7	25%	0.245	41%	0.41	C	S	.	.	H	α-helix	trans	-75.2	-6.4	178.4	62.3	0	0	0	0	114.5	F591 W608 I650 K656	F591-T654 HydrophobicContact CE1-CG2 3.64Å; F591-T654 HydrophobicContact CZ-CG2 3.53Å; W608-T654 HydrophobicContact CD2-CG2 3.72Å; W608-T654 HydrophobicContact CE3-CG2 4.2Å; W608-T654 HydrophobicContact CG-CG2 4Å; W608-T654 HydrophobicContact CZ2-CG2 4.16Å; I650-T654 HydrophobicContact CG2-CG2 4.2Å; I650-T654 PolarHBondContact O-N 2.9Å; I650-T654 PolarHBondContact O-OG1 2.85Å; T654-K656 VanDerWaalsContact C-N 3.3Å; T654-K656 PolarHBondContact O-N 2.97Å
655	A	70.7	Confident	72.9	Confident	80 Å²	80	75.4 Å²	75.4	66%	0.661	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	8.1	175.7	0	0	0	0	0	114.9	L651 Q653	L651-A655 WeakPolarHBondContact O-CB 3.45Å; L651-A655 PolarHBondContact O-N 2.89Å; L651-A655 VanDerWaalsContact O-N 3.08Å; Q653-A655 VanDerWaalsContact C-N 3.25Å; Q653-A655 PolarHBondContact O-N 3.24Å
656	K	55.6	Low	72.2	Confident	143 Å²	143	78.1 Å²	78.1	62%	0.622	42%	0.415	S	S	*	.			trans	-120.2	135.7	177	-60.7	175.7	-172.2	175.8	0	108.4	T654	T654-K656 VanDerWaalsContact C-N 3.3Å; T654-K656 PolarHBondContact O-N 2.97Å
657	K	51.6	Low	71.3	Confident	174 Å²	174	80.2 Å²	80.2	76%	0.757	43%	0.426	S	S	*	.	S	Bend	cis	-159.3	138.4	-9.1	-155.8	-176.5	-174.7	-171.5	0	106
658	N	53.3	Low	69.5	Low	116 Å²	116	87.2 Å²	87.2	62%	0.62	46%	0.463	S	S	*	.			trans	61.5	145.3	-161	-57.8	-35.4	0	0	0	114	D660 D661	N658-D660 VanDerWaalsContact C-N 3.31Å; N658-D661 WeakPolarHBondContact CB-OD2 3.4Å; N658-D661 PolarHBondContact ND2-OD2 3.45Å
659	P	56.8	Low	67.7	Low	90 Å²	90	81.9 Å²	81.9	58%	0.584	44%	0.444	S	S	*	.	S	Bend	trans	-80.7	-11.9	173.1	34.5	-35.7	0	0	0	113.2	K570 Y611	K570-P659 PolarHBondContact NZ-O 2.9Å; Y611-P659 PolarHBondContact OH-O 3.18Å
660	D	57	Low	65.7	Low	137 Å²	137	80.4 Å²	80.4	73%	0.733	44%	0.436	S	S	*	.	S	Bend	trans	-92.4	-32.3	-175.8	-60.7	-55.8	0	0	0	112.9	K570 N658	K570-D660 PolarHBondContact NZ-O 3.04Å; N658-D660 VanDerWaalsContact C-N 3.31Å
661	D	63.6	Low	63.8	Low	92 Å²	92	84.1 Å²	84.1	49%	0.492	45%	0.453	S	S	.	.			trans	-56.5	141.7	171.3	-75.4	-57.6	0	0	0	110.8	K570 N658	K570-D661 PolarHBondContact NZ-O 3.41Å; N658-D661 WeakPolarHBondContact CB-OD2 3.4Å; N658-D661 PolarHBondContact ND2-OD2 3.45Å
662	Y	71.4	Confident	61.4	Low	43 Å²	43	84 Å²	84	17%	0.169	46%	0.462	C	S	.	.			trans	-155.9	120	177.4	162	-107.8	0	0	0	108.2	K570 C571 N586 L587 E589 Y611 P664	K570-Y662 HydrophobicContact CB-CD1 3.63Å; K570-Y662 HydrophobicContact CB-CD2 4.4Å; K570-Y662 HydrophobicContact CB-CE1 3.97Å; K570-Y662 HydrophobicContact CB-CG 3.86Å; K570-Y662 VanDerWaalsContact CD-CB 3.41Å; K570-Y662 HydrophobicContact CD-CD1 4.31Å; K570-Y662 HydrophobicContact CD-CD2 4.32Å; K570-Y662 HydrophobicContact CD-CG 3.79Å; C571-Y662 HydrophobicContact CB-CE1 4.34Å; N586-Y662 HydrophobicContact CB-CE2 4.2Å; L587-Y662 PolarHBondContact N-OH 2.86Å; L587-Y662 VanDerWaalsContact N-OH 3.11Å; L587-Y662 PolarHBondContact O-OH 3.4Å; E589-Y662 HydrophobicContact CG-CD2 4.36Å; Y611-Y662 HydrophobicContact CD2-CD2 4.45Å; Y662-P664 HydrophobicContact CD1-CG 4.4Å; Y662-P664 HydrophobicContact CE1-CB 4.22Å; Y662-P664 HydrophobicContact CE1-CG 3.77Å; Y662-P664 HydrophobicContact CE2-CB 4.26Å; Y662-P664 WeakPolarHBondContact O-CD 3.43Å
663	T	75	Confident	59	Low	99 Å²	99	86.4 Å²	86.4	61%	0.607	47%	0.473	S	S	*	.			trans	-128.1	75.3	-167.8	39.3	0	0	0	0	109.8	E589	E589-T663 PolarHBondContact OE1-N 3.41Å; E589-T663 PolarHBondContact OE1-OG1 2.88Å
664	P	78.4	Confident	56.8	Low	42 Å²	42	94.4 Å²	94.4	27%	0.273	50%	0.501	S	S	.	.	B	Isolated β-bridge	trans	-65.1	160.2	-178.4	26.9	-34.4	0	0	0	112.3	L587 P588 Y662 N666	L587-P664 HydrophobicContact CB-CB 3.64Å; L587-P664 HydrophobicContact CD1-CB 4.4Å; P588-P664 CarbonylContact O-C 3.55Å; P588-P664 WeakPolarHBondContact O-CA 3.39Å; Y662-P664 HydrophobicContact CD1-CG 4.4Å; Y662-P664 HydrophobicContact CE1-CB 4.22Å; Y662-P664 HydrophobicContact CE1-CG 3.77Å; Y662-P664 HydrophobicContact CE2-CB 4.26Å; Y662-P664 WeakPolarHBondContact O-CD 3.43Å; P664-N666 PolarHBondContact O-N 3.46Å
665	V	79.2	Confident	54.5	Low	13 Å²	13	98.8 Å²	98.8	8%	0.079	53%	0.527	C	S	.	.			trans	-48.4	130.4	167.1	-77	0	0	0	0	112	W579 L587 P588 A590 Y607 I667	W579-V665 HydrophobicContact CH2-CG1 4.39Å; W579-V665 HydrophobicContact CH2-CG2 4.1Å; W579-V665 HydrophobicContact CZ3-CG2 3.84Å; L587-V665 HydrophobicContact CB-CG2 4.05Å; L587-V665 HydrophobicContact CD2-CG2 4.4Å; P588-V665 HydrophobicContact CG-CG1 4.32Å; P588-V665 HydrophobicContact CG-CG2 3.98Å; P588-V665 WeakPolarHBondContact O-CG1 3.1Å; P588-V665 WeakPolarHBondContact O-CG2 3.48Å; P588-V665 PolarHBondContact O-N 2.91Å; A590-V665 HydrophobicContact CB-CG1 3.36Å; Y607-V665 HydrophobicContact CD1-CG1 3.81Å; Y607-V665 HydrophobicContact CE1-CG1 3.8Å; V665-I667 HydrophobicContact CB-CD1 4.07Å; V665-I667 HydrophobicContact CB-CG1 4.03Å; V665-I667 HydrophobicContact CG2-CD1 3.63Å; V665-I667 HydrophobicContact CG2-CG1 4.03Å; V665-I667 PolarHBondContact O-N 2.84Å
666	N	67.1	Low	52.4	Low	151 Å²	151	97.8 Å²	97.8	81%	0.807	53%	0.525	S	S	*	.			trans	-83.5	111.4	164.6	-168.5	18.6	0	0	0	108.4	P664	P664-N666 PolarHBondContact O-N 3.46Å
667	I	63.7	Low	51	Low	47 Å²	47	97.6 Å²	97.6	24%	0.241	53%	0.531	C	S	.	.			trans	-125.7	127.2	179.1	-67.3	175.8	0	0	0	108.8	W579 V665 G669 A670	W579-I667 HydrophobicContact CH2-CD1 3.66Å; W579-I667 HydrophobicContact CZ3-CD1 3.46Å; W579-I667 VanDerWaalsContact CZ3-CD1 3.46Å; V665-I667 HydrophobicContact CB-CD1 4.07Å; V665-I667 HydrophobicContact CB-CG1 4.03Å; V665-I667 HydrophobicContact CG2-CD1 3.63Å; V665-I667 HydrophobicContact CG2-CG1 4.03Å; V665-I667 PolarHBondContact O-N 2.84Å; I667-G669 PolarHBondContact O-N 3.41Å; I667-G669 VanDerWaalsContact O-N 3.1Å; I667-A670 HydrophobicContact CB-CB 3.87Å; I667-A670 HydrophobicContact CG2-CB 4.15Å; I667-A670 WeakPolarHBondContact O-CB 3.08Å; I667-A670 PolarHBondContact O-N 2.85Å
668	D	47.1	Very low	50	Low	150 Å²	150	96 Å²	96	80%	0.802	54%	0.535	S	S	*	.	B	Isolated β-bridge	trans	-58	114.1	176.1	-77.7	-52.2	0	0	0	111.1
669	G	47.3	Very low	48.7	Very low	20 Å²	20	100.1 Å²	100.1	21%	0.206	55%	0.551	C	S	.	*	T	Hydrogen-bonded Turn	trans	95.3	-9.7	179.8	0	0	0	0	0	115.8	S544 I667	S544-G669 PolarHBondContact OG-O 2.76Å; I667-G669 PolarHBondContact O-N 3.41Å; I667-G669 VanDerWaalsContact O-N 3.1Å
670	A	41.8	Very low	47.3	Very low	11 Å²	11	99.2 Å²	99.2	9%	0.091	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	-73.8	-38.1	167.7	0	0	0	0	0	111.1	G559 L587 I667	G559-A670 WeakPolarHBondContact O-CB 3.48Å; L587-A670 HydrophobicContact CD1-CB 4.27Å; I667-A670 HydrophobicContact CB-CB 3.87Å; I667-A670 HydrophobicContact CG2-CB 4.15Å; I667-A670 WeakPolarHBondContact O-CB 3.08Å; I667-A670 PolarHBondContact O-N 2.85Å
671	H	42.1	Very low	45.7	Very low	78 Å²	78	101.4 Å²	101.4	36%	0.361	56%	0.564	S	S	.	*	B	Isolated β-bridge	trans	-121	141.5	167	-63.5	-39.1	0	0	0	109.9
672	A	34.7	Very low	43.9	Very low	68 Å²	68	106.1 Å²	106.1	56%	0.562	58%	0.583	S	S	*	*			trans	-64.9	137.5	163.9	0	0	0	0	0	108.4	R674	A672-R674 PolarHBondContact O-N 2.85Å
673	Q	30.5	Very low	41.7	Very low	159 Å²	159	109.1 Å²	109.1	74%	0.743	61%	0.61	S	S	*	*			trans	-48.8	125.8	-160.8	-66.2	172.4	-39.7	0	0	114.9	V675	Q673-V675 HydrophobicContact CB-CG2 3.77Å; Q673-V675 PolarHBondContact O-N 2.64Å; Q673-V675 VanDerWaalsContact O-N 3.13Å
674	R	30.8	Very low	39.4	Very low	229 Å²	229	112.2 Å²	112.2	86%	0.864	62%	0.618	S	S	*	*			trans	-70.2	96.5	147.4	-79.2	-174.5	173.9	170.2	0.9	108	A672 G676	A672-R674 PolarHBondContact O-N 2.85Å; R674-G676 PolarHBondContact O-N 3.39Å
675	V	27.2	Very low	36.9	Very low	132 Å²	132	116 Å²	116	80%	0.8	65%	0.645	S	S	*	*			trans	-77.7	89.9	174.1	-176.7	0	0	0	0	109	Q673	Q673-V675 HydrophobicContact CB-CG2 3.77Å; Q673-V675 PolarHBondContact O-N 2.64Å; Q673-V675 VanDerWaalsContact O-N 3.13Å
676	G	27	Very low	34.5	Very low	59 Å²	59	122.1 Å²	122.1	61%	0.608	67%	0.673	S	S	*	*			trans	-179.3	116.2	175.6	0	0	0	0	0	112.2	R674	R674-G676 PolarHBondContact O-N 3.39Å
677	D	26.5	Very low	32.6	Very low	139 Å²	139	121.8 Å²	121.8	74%	0.743	67%	0.67	S	S	*	*			trans	54.9	103.1	175.4	-59.2	-16.3	0	0	0	116.5
678	V	29	Very low	31.4	Very low	141 Å²	141	124.5 Å²	124.5	86%	0.855	69%	0.691	S	S	*	*				-167.8	109.9	103.7	164.4	0	0	0	0	109.7
679	Q	26.3	Very low	30.4	Very low	203 Å²	203	124.2 Å²	124.2	95%	0.949	70%	0.695	S	S	*	*			trans	-139.2	136.9	141.4	-73.8	-176	-11.5	0	0	104.8
680	G	27.1	Very low	29.3	Very low	71 Å²	71	132.6 Å²	132.6	73%	0.732	73%	0.726	S	S	*	*			cis	167.8	145.7	-4.3	0	0	0	0	0	106.8
681	Q	24.2	Very low	28.8	Very low	183 Å²	183	139.1 Å²	139.1	86%	0.855	76%	0.758	S	S	*	*			trans	-145.4	97.7	177.2	-163.7	168	10.3	0	0	112.3
682	E	25.8	Very low	28	Very low	190 Å²	190	142.9 Å²	142.9	89%	0.888	78%	0.779	S	S	*	*			trans	-74.1	153	157.6	-63.1	-177.6	128.7	0	0	109.9
683	S	25.1	Very low	27.8	Very low	107 Å²	107	147 Å²	147	75%	0.748	79%	0.791	S	S	*	*			trans	-157.7	123.7	157.4	-74.8	0	0	0	0	108.4
684	E	26.5	Very low	27.7	Very low	164 Å²	164	145.6 Å²	145.6	77%	0.766	79%	0.793	S	S	*	*			trans	-70.5	153.9	-178.9	-62.3	-177.3	81	0	0	112.8	Q686	E684-Q686 PolarHBondContact OE1-NE2 3.45Å
685	S	25.8	Very low	27.5	Very low	122 Å²	122	138.1 Å²	138.1	85%	0.853	79%	0.787	S	S	*	*			trans	-153.3	146.6	148.2	51.4	0	0	0	0	110.1
686	Q	28	Very low	27.6	Very low	141 Å²	141	141.4 Å²	141.4	66%	0.659	79%	0.794	S	S	*	*			trans	-136.9	155.5	-165	-58.4	-167.3	19.5	0	0	110.8	E684	E684-Q686 PolarHBondContact OE1-NE2 3.45Å
687	L	28.4	Very low	27.8	Very low	143 Å²	143	148 Å²	148	75%	0.749	81%	0.805	S	S	*	*			cis	-140.8	-60.3	2.5	-141.4	171.4	0	0	0	113.8
688	P	39.1	Very low	27.9	Very low	105 Å²	105	147.2 Å²	147.2	68%	0.682	81%	0.806	S	S	*	*			trans	-133.5	143.1	-145	38.3	-20.7	0	0	0	118.2
689	T	24.5	Very low	28	Very low	143 Å²	143	150.2 Å²	150.2	88%	0.877	81%	0.808	S	S	*	*			trans	-148.1	119	140.6	-0.2	0	0	0	0	114.6
690	K	25.3	Very low	28.4	Very low	196 Å²	196	146.5 Å²	146.5	85%	0.852	80%	0.799	S	S	*	*			trans	2.8	127.9	160.7	-64.5	179.4	177	178.8	0	120.6
691	I	30.1	Very low	28.3	Very low	149 Å²	149	151.3 Å²	151.3	76%	0.764	81%	0.807	S	S	*	*			trans	-57.3	141.5	152.8	-60.2	159.7	0	0	0	110.7	L693	I691-L693 HydrophobicContact CG2-CD1 4.15Å; I691-L693 HydrophobicContact CG2-CG 4.05Å
692	I	27.2	Very low	28.7	Very low	157 Å²	157	150.8 Å²	150.8	81%	0.805	80%	0.804	S	S	*	*			trans	-131.6	133.1	154.2	-63.5	-178.9	0	0	0	108.1
693	L	29.3	Very low	29.3	Very low	155 Å²	155	151.3 Å²	151.3	81%	0.812	80%	0.804	S	S	*	*			trans	-124.8	116	-178.9	-89.2	166.7	0	0	0	111.5	I691	I691-L693 HydrophobicContact CG2-CD1 4.15Å; I691-L693 HydrophobicContact CG2-CG 4.05Å
694	T	28.5	Very low	29.9	Very low	129 Å²	129	153.8 Å²	153.8	79%	0.791	80%	0.803	S	S	*	*			trans	-148.3	125.6	161.5	48.1	0	0	0	0	105.1
695	G	26.1	Very low	30.5	Very low	72 Å²	72	155 Å²	155	74%	0.742	81%	0.809	S	S	*	*				90.4	121.7	54.6	0	0	0	0	0	108
696	Q	29	Very low	31.1	Very low	201 Å²	201	157.6 Å²	157.6	94%	0.939	81%	0.812	S	S	*	*			cis	-146.2	-165.8	18.1	-63.8	-179.2	-19.1	0	0	113.1
697	K	31.8	Very low	31.7	Very low	196 Å²	196	157.4 Å²	157.4	85%	0.852	82%	0.816	S	S	*	*			trans	-62.6	165.2	-177	-53.5	169.1	-177.5	175.1	0	112.1
698	T	29.8	Very low	32.6	Very low	123 Å²	123	153.9 Å²	153.9	76%	0.755	80%	0.797	S	S	*	*				-166.4	168.8	51.4	55.9	0	0	0	0	114.8
699	K	30.1	Very low	33.3	Very low	204 Å²	204	152 Å²	152	89%	0.887	79%	0.785	S	S	*	*			trans	77.7	116.8	160.9	-71.3	-173.6	177.1	-177.4	0	119.6
700	T	34.4	Very low	34.4	Very low	126 Å²	126	153.8 Å²	153.8	77%	0.773	78%	0.781	S	S	*	*			trans	-82.1	145.5	161.1	45.1	0	0	0	0	111.4
701	L	25.8	Very low	35.6	Very low	172 Å²	172	149 Å²	149	90%	0.901	77%	0.768	S	S	*	*			trans	-131.6	155	160.8	-77.8	173.1	0	0	0	109.3
702	H	33.2	Very low	36.7	Very low	171 Å²	171	145.1 Å²	145.1	79%	0.792	75%	0.747	S	S	*	*			trans	-89.9	163	-165.9	-84.3	-119.8	0	0	0	114.1	E704	H702-E704 VanDerWaalsContact C-N 3.32Å; H702-E704 PolarHBondContact O-N 2.75Å
703	K	37.1	Very low	37.9	Very low	202 Å²	202	144.9 Å²	144.9	88%	0.878	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	1.6	-162.5	-165	177.7	172.3	-172.4	0	115.4
704	E	38.7	Very low	38.8	Very low	159 Å²	159	141.3 Å²	141.3	74%	0.743	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	-7.2	-156.2	-63.7	-178.2	163.2	0	0	116	H702 N707	H702-E704 VanDerWaalsContact C-N 3.32Å; H702-E704 PolarHBondContact O-N 2.75Å; E704-N707 PolarHBondContact O-ND2 2.91Å
705	E	37.5	Very low	39.9	Very low	189 Å²	189	139.6 Å²	139.6	88%	0.883	71%	0.706	S	S	*	*	S	Bend	trans	-92.3	-9	-177.8	-65.9	-166.8	144.3	0	0	115.2	N707	E705-N707 VanDerWaalsContact C-N 3.26Å; E705-N707 PolarHBondContact O-N 3.14Å
706	L	39.8	Very low	41	Very low	176 Å²	176	141.5 Å²	141.5	92%	0.921	70%	0.695	S	S	*	*			trans	-85	58.4	-180	-69.7	177	0	0	0	113.1	M708	L706-M708 PolarHBondContact O-N 3.27Å
707	N	40.7	Very low	42.2	Very low	138 Å²	138	137.6 Å²	137.6	74%	0.738	68%	0.677	S	S	*	*			trans	-93.8	86.1	176.4	-92.1	-58.3	0	0	0	112.7	E704 E705	E704-N707 PolarHBondContact O-ND2 2.91Å; E705-N707 VanDerWaalsContact C-N 3.26Å; E705-N707 PolarHBondContact O-N 3.14Å
708	M	47.6	Very low	43.1	Very low	69 Å²	69	131.9 Å²	131.9	34%	0.34	66%	0.656	S	S	.	*			trans	45.1	101.4	158.2	-58.4	-62.5	-61.5	0	0	117.4	L706 E712 R713	L706-M708 PolarHBondContact O-N 3.27Å; M708-E712 WeakPolarHBondContact CA-OE2 3.4Å; M708-E712 HydrophobicContact CE-CG 4.39Å; M708-R713 HydrophobicContact CB-CG 4.44Å; M708-R713 HydrophobicContact CE-CG 3.57Å
709	S	53.7	Low	44.2	Very low	64 Å²	64	129.9 Å²	129.9	45%	0.448	64%	0.64	S	S	.	*			trans	-62.7	148.1	166.3	178.2	0	0	0	0	111.6	T711 E712 R713	S709-T711 VanDerWaalsContact C-N 3.26Å; S709-T711 PolarHBondContact O-N 2.94Å; S709-T711 PolarHBondContact OG-N 3.46Å; S709-E712 PolarHBondContact N-OE2 3.39Å; S709-E712 WeakPolarHBondContact O-CB 3.27Å; S709-E712 PolarHBondContact O-N 2.8Å; S709-R713 PolarHBondContact O-N 3.22Å
710	K	47.3	Very low	45.2	Very low	182 Å²	182	124.4 Å²	124.4	79%	0.791	62%	0.624	S	S	*	*	H	α-helix	trans	-59.6	-40.1	172.7	-76.6	-174.8	176.8	179	0	111.3	E712 R713 T714	K710-E712 VanDerWaalsContact C-N 3.3Å; K710-E712 PolarHBondContact O-N 3.06Å; K710-R713 PolarHBondContact O-N 3.21Å; K710-T714 PolarHBondContact O-N 2.83Å; K710-T714 PolarHBondContact O-OG1 3.37Å
711	T	50.3	Low	46.1	Very low	94 Å²	94	123.5 Å²	123.5	58%	0.577	61%	0.611	S	S	*	*	H	α-helix	trans	-62	-39.2	177.8	-42.5	0	0	0	0	111.7	S709 T714 I715	S709-T711 VanDerWaalsContact C-N 3.26Å; S709-T711 PolarHBondContact O-N 2.94Å; S709-T711 PolarHBondContact OG-N 3.46Å; T711-T714 PolarHBondContact O-N 2.79Å; T711-I715 HydrophobicContact CG2-CD1 4.01Å; T711-I715 VanDerWaalsContact O-CG1 3.3Å; T711-I715 WeakPolarHBondContact O-CG1 3.44Å; T711-I715 PolarHBondContact O-N 3Å
712	E	52	Low	47.2	Very low	69 Å²	69	120.9 Å²	120.9	32%	0.322	59%	0.594	S	S	.	*	H	α-helix	trans	-66.2	-43.3	-179.5	-179.1	177.3	-153.2	0	0	111.6	M708 S709 K710 T714 I715 Q716	M708-E712 WeakPolarHBondContact CA-OE2 3.4Å; M708-E712 HydrophobicContact CE-CG 4.39Å; S709-E712 PolarHBondContact N-OE2 3.39Å; S709-E712 WeakPolarHBondContact O-CB 3.27Å; S709-E712 PolarHBondContact O-N 2.8Å; K710-E712 VanDerWaalsContact C-N 3.3Å; K710-E712 PolarHBondContact O-N 3.06Å; E712-T714 PolarHBondContact O-N 2.91Å; E712-I715 PolarHBondContact O-N 3.13Å; E712-Q716 WeakPolarHBondContact O-CB 3.18Å; E712-Q716 PolarHBondContact O-N 3.27Å
713	R	53.2	Low	47.8	Very low	151 Å²	151	113.5 Å²	113.5	57%	0.57	56%	0.563	S	S	*	*	H	α-helix	trans	-59.3	-45.7	171.4	-67	-175.7	-175.4	-170.2	2.1	112	M708 S709 K710 I715 Q716 Q717	M708-R713 HydrophobicContact CB-CG 4.44Å; M708-R713 HydrophobicContact CE-CG 3.57Å; S709-R713 PolarHBondContact O-N 3.22Å; K710-R713 PolarHBondContact O-N 3.21Å; R713-I715 PolarHBondContact O-N 3.04Å; R713-Q716 PolarHBondContact O-N 3.35Å; R713-Q717 WeakPolarHBondContact O-CB 3.14Å; R713-Q717 PolarHBondContact O-N 3.48Å
714	T	49.2	Very low	48.4	Very low	81 Å²	81	106.8 Å²	106.8	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-65.5	-36.7	179.2	-55.4	0	0	0	0	112.3	K710 T711 E712 N718	K710-T714 PolarHBondContact O-N 2.83Å; K710-T714 PolarHBondContact O-OG1 3.37Å; T711-T714 PolarHBondContact O-N 2.79Å; E712-T714 PolarHBondContact O-N 2.91Å; T714-N718 WeakPolarHBondContact O-CB 3.35Å; T714-N718 PolarHBondContact O-N 2.82Å; T714-N718 VanDerWaalsContact O-N 3.11Å; T714-N718 PolarHBondContact O-ND2 3.25Å
715	I	51.4	Low	49.2	Very low	92 Å²	92	102.3 Å²	102.3	47%	0.472	52%	0.524	S	S	.	.	H	α-helix	trans	-67.3	-49	174.9	-72.3	166.7	0	0	0	110.6	T711 E712 R713 Q717 N718 I719	T711-I715 HydrophobicContact CG2-CD1 4.01Å; T711-I715 VanDerWaalsContact O-CG1 3.3Å; T711-I715 WeakPolarHBondContact O-CG1 3.44Å; T711-I715 PolarHBondContact O-N 3Å; E712-I715 PolarHBondContact O-N 3.13Å; R713-I715 PolarHBondContact O-N 3.04Å; I715-Q717 VanDerWaalsContact C-N 3.29Å; I715-Q717 PolarHBondContact O-N 3.31Å; I715-N718 PolarHBondContact O-N 3.37Å; I715-I719 HydrophobicContact CG2-CD1 3.61Å; I715-I719 HydrophobicContact CG2-CG1 4.39Å; I715-I719 WeakPolarHBondContact O-CG1 3.49Å; I715-I719 PolarHBondContact O-N 2.94Å
716	Q	48.8	Very low	50.1	Low	112 Å²	112	99 Å²	99	52%	0.523	51%	0.51	S	S	.	.	H	α-helix	trans	-58.8	-41.1	179.3	-169.7	176.5	18.7	0	0	111.9	E712 R713 T720	E712-Q716 WeakPolarHBondContact O-CB 3.18Å; E712-Q716 PolarHBondContact O-N 3.27Å; R713-Q716 PolarHBondContact O-N 3.35Å; Q716-T720 WeakPolarHBondContact O-CB 3.45Å; Q716-T720 PolarHBondContact O-N 3.22Å; Q716-T720 VanDerWaalsContact O-N 3.1Å; Q716-T720 PolarHBondContact O-OG1 3.44Å
717	Q	53.3	Low	50.5	Low	119 Å²	119	95.9 Å²	95.9	56%	0.556	49%	0.491	S	S	*	.	H	α-helix	trans	-65.5	-49.4	177.1	-174.6	172.1	-7.3	0	0	112	R713 I715 I719 T720 E721	R713-Q717 WeakPolarHBondContact O-CB 3.14Å; R713-Q717 PolarHBondContact O-N 3.48Å; I715-Q717 VanDerWaalsContact C-N 3.29Å; I715-Q717 PolarHBondContact O-N 3.31Å; Q717-I719 VanDerWaalsContact C-N 3.34Å; Q717-I719 PolarHBondContact O-N 2.86Å; Q717-T720 PolarHBondContact O-N 2.87Å; Q717-E721 VanDerWaalsContact CG-OE1 3.27Å; Q717-E721 WeakPolarHBondContact CG-OE1 3.27Å; Q717-E721 PolarHBondContact NE2-OE1 3.12Å; Q717-E721 WeakPolarHBondContact O-CG 3.48Å; Q717-E721 PolarHBondContact O-N 3.5Å
718	N	52	Low	51.1	Low	77 Å²	77	96.4 Å²	96.4	41%	0.412	49%	0.487	S	S	.	.	H	α-helix	trans	-60	-40.5	178.1	-85.2	-79.3	0	0	0	112.9	T714 I715 E721 Q722	T714-N718 WeakPolarHBondContact O-CB 3.35Å; T714-N718 PolarHBondContact O-N 2.82Å; T714-N718 VanDerWaalsContact O-N 3.11Å; T714-N718 PolarHBondContact O-ND2 3.25Å; I715-N718 PolarHBondContact O-N 3.37Å; N718-E721 PolarHBondContact O-N 3.21Å; N718-Q722 WeakPolarHBondContact O-CG 3.27Å; N718-Q722 PolarHBondContact O-N 3.24Å
719	I	52.7	Low	51.2	Low	80 Å²	80	101.2 Å²	101.2	41%	0.41	50%	0.501	S	S	.	.	H	α-helix	trans	-64.1	-43.7	177.4	-69.7	170.6	0	0	0	110.6	I715 Q717 E721 Q722 A723	I715-I719 HydrophobicContact CG2-CD1 3.61Å; I715-I719 HydrophobicContact CG2-CG1 4.39Å; I715-I719 WeakPolarHBondContact O-CG1 3.49Å; I715-I719 PolarHBondContact O-N 2.94Å; Q717-I719 VanDerWaalsContact C-N 3.34Å; Q717-I719 PolarHBondContact O-N 2.86Å; I719-E721 PolarHBondContact O-N 3.1Å; I719-Q722 PolarHBondContact O-N 2.85Å; I719-A723 WeakPolarHBondContact O-CB 3.38Å; I719-A723 PolarHBondContact O-N 3.34Å
720	T	51.2	Low	51	Low	90 Å²	90	105.5 Å²	105.5	55%	0.552	51%	0.512	S	S	*	.	H	α-helix	trans	-60.7	-45	178.7	-55.3	0	0	0	0	111.4	Q716 Q717	Q716-T720 WeakPolarHBondContact O-CB 3.45Å; Q716-T720 PolarHBondContact O-N 3.22Å; Q716-T720 VanDerWaalsContact O-N 3.1Å; Q716-T720 PolarHBondContact O-OG1 3.44Å; Q717-T720 PolarHBondContact O-N 2.87Å
721	E	53.1	Low	51.1	Low	107 Å²	107	101 Å²	101	50%	0.5	50%	0.5	S	S	.	.	H	α-helix	trans	-66.1	-45.4	179.4	-69.3	173.5	-160.7	0	0	111.6	Q717 N718 I719 S724	Q717-E721 VanDerWaalsContact CG-OE1 3.27Å; Q717-E721 WeakPolarHBondContact CG-OE1 3.27Å; Q717-E721 PolarHBondContact NE2-OE1 3.12Å; Q717-E721 WeakPolarHBondContact O-CG 3.48Å; Q717-E721 PolarHBondContact O-N 3.5Å; N718-E721 PolarHBondContact O-N 3.21Å; I719-E721 PolarHBondContact O-N 3.1Å; E721-S724 PolarHBondContact O-OG 2.79Å
722	Q	47.8	Very low	50.8	Low	117 Å²	117	102.7 Å²	102.7	55%	0.547	50%	0.501	S	S	.	.	H	α-helix	trans	-72.4	-32.3	-178.2	-68.8	-171.4	25.6	0	0	114.4	N718 I719 S724 V725 M726	N718-Q722 WeakPolarHBondContact O-CG 3.27Å; N718-Q722 PolarHBondContact O-N 3.24Å; I719-Q722 PolarHBondContact O-N 2.85Å; Q722-S724 VanDerWaalsContact C-N 3.31Å; Q722-S724 PolarHBondContact O-N 3.25Å; Q722-V725 PolarHBondContact O-N 3Å; Q722-V725 VanDerWaalsContact O-N 3.12Å; Q722-M726 PolarHBondContact O-N 3.41Å
723	A	46.1	Very low	50.5	Low	16 Å²	16	105.9 Å²	105.9	13%	0.132	51%	0.514	C	S	.	.	H	α-helix	trans	-56.8	-43.5	-177.8	0	0	0	0	0	112.6	Y622 I719 V725 M726 Q727	Y622-A723 HydrophobicContact CD2-CB 4.34Å; Y622-A723 HydrophobicContact CE2-CB 4.18Å; I719-A723 WeakPolarHBondContact O-CB 3.38Å; I719-A723 PolarHBondContact O-N 3.34Å; A723-V725 VanDerWaalsContact C-N 3.3Å; A723-V725 PolarHBondContact O-N 3.43Å; A723-M726 PolarHBondContact O-N 2.69Å; A723-Q727 PolarHBondContact O-N 3.02Å
724	S	50.6	Low	50.1	Low	60 Å²	60	104 Å²	104	42%	0.42	51%	0.514	S	S	.	.	H	α-helix	trans	-61.6	-36.3	178.6	74.2	0	0	0	0	113.1	E721 Q722 K728	E721-S724 PolarHBondContact O-OG 2.79Å; Q722-S724 VanDerWaalsContact C-N 3.31Å; Q722-S724 PolarHBondContact O-N 3.25Å; S724-K728 WeakPolarHBondContact O-CG 3.48Å; S724-K728 PolarHBondContact O-N 3.19Å
725	V	54.9	Low	49.9	Very low	66 Å²	66	107.8 Å²	107.8	40%	0.4	52%	0.524	S	S	.	.	H	α-helix	trans	-75.8	-39.4	179.8	-179.4	0	0	0	0	110.7	Q722 A723 R729	Q722-V725 PolarHBondContact O-N 3Å; Q722-V725 VanDerWaalsContact O-N 3.12Å; A723-V725 VanDerWaalsContact C-N 3.3Å; A723-V725 PolarHBondContact O-N 3.43Å; V725-R729 HydrophobicContact CG1-CG 4.42Å; V725-R729 WeakPolarHBondContact O-CB 3.35Å; V725-R729 WeakPolarHBondContact O-CG 3.29Å; V725-R729 PolarHBondContact O-N 2.66Å
726	M	56.3	Low	49.6	Very low	118 Å²	118	110.5 Å²	110.5	58%	0.581	53%	0.534	S	S	*	.	H	α-helix	trans	-68.5	-39.4	178.4	-70	-171.2	74.2	0	0	112.6	Q722 A723 K730	Q722-M726 PolarHBondContact O-N 3.41Å; A723-M726 PolarHBondContact O-N 2.69Å; M726-K730 PolarHBondContact O-N 2.82Å; M726-K730 VanDerWaalsContact O-N 3.14Å
727	Q	48.7	Very low	49.3	Very low	111 Å²	111	112.6 Å²	112.6	52%	0.519	54%	0.544	S	S	.	.	H	α-helix	trans	-60.8	-53.4	173.3	-75.4	-178.7	-21.3	0	0	111.1	A723 R729 K730 T731	A723-Q727 PolarHBondContact O-N 3.02Å; Q727-R729 PolarHBondContact O-N 2.87Å; Q727-K730 PolarHBondContact O-N 2.93Å; Q727-K730 VanDerWaalsContact O-N 3.15Å; Q727-T731 PolarHBondContact O-N 3.39Å; Q727-T731 VanDerWaalsContact O-N 3.12Å; Q727-T731 PolarHBondContact O-OG1 2.88Å
728	K	52.2	Low	48.9	Very low	150 Å²	150	115.3 Å²	115.3	65%	0.652	56%	0.557	S	S	*	*	H	α-helix	trans	-56.2	-48.5	178.3	-74.1	177.6	178.4	176.7	0	112.5	S724 K730 T731 E732	S724-K728 WeakPolarHBondContact O-CG 3.48Å; S724-K728 PolarHBondContact O-N 3.19Å; K728-K730 VanDerWaalsContact C-N 3.28Å; K728-K730 PolarHBondContact O-N 3.19Å; K728-T731 PolarHBondContact O-N 2.76Å; K728-E732 PolarHBondContact O-N 3.29Å
729	R	50.9	Low	48.4	Very low	170 Å²	170	120.9 Å²	120.9	64%	0.642	58%	0.577	S	S	*	*	H	α-helix	trans	-60	-33.3	178.6	-78.3	178.7	171.2	175.5	-2.6	113.5	V725 Q727 K733	V725-R729 HydrophobicContact CG1-CG 4.42Å; V725-R729 WeakPolarHBondContact O-CB 3.35Å; V725-R729 WeakPolarHBondContact O-CG 3.29Å; V725-R729 PolarHBondContact O-N 2.66Å; Q727-R729 PolarHBondContact O-N 2.87Å; R729-K733 WeakPolarHBondContact O-CG 3.39Å; R729-K733 PolarHBondContact O-N 2.91Å
730	K	49.2	Very low	47.3	Very low	154 Å²	154	120.6 Å²	120.6	67%	0.67	59%	0.594	S	S	*	*	H	α-helix	trans	-75.1	-37.4	178.2	-156.1	172	-175.1	-179.2	0	111.6	M726 Q727 K728 L734	M726-K730 PolarHBondContact O-N 2.82Å; M726-K730 VanDerWaalsContact O-N 3.14Å; Q727-K730 PolarHBondContact O-N 2.93Å; Q727-K730 VanDerWaalsContact O-N 3.15Å; K728-K730 VanDerWaalsContact C-N 3.28Å; K728-K730 PolarHBondContact O-N 3.19Å; K730-L734 PolarHBondContact O-N 2.85Å
731	T	48.8	Very low	46.3	Very low	88 Å²	88	125.6 Å²	125.6	54%	0.54	61%	0.611	S	S	.	*	H	α-helix	trans	-68.3	-34.8	173.9	-52.7	0	0	0	0	112.8	Q727 K728	Q727-T731 PolarHBondContact O-N 3.39Å; Q727-T731 VanDerWaalsContact O-N 3.12Å; Q727-T731 PolarHBondContact O-OG1 2.88Å; K728-T731 PolarHBondContact O-N 2.76Å
732	E	45.4	Very low	45.4	Very low	129 Å²	129	126.4 Å²	126.4	60%	0.603	63%	0.626	S	S	*	*	H	α-helix	trans	-72.3	-39.3	176.6	-73.1	-174.2	145.3	0	0	113.3	K728 L734 K735 Q736	K728-E732 PolarHBondContact O-N 3.29Å; E732-L734 VanDerWaalsContact C-N 3.32Å; E732-L734 PolarHBondContact O-N 3.46Å; E732-K735 WeakPolarHBondContact O-CB 3.36Å; E732-K735 PolarHBondContact O-N 3.45Å; E732-Q736 PolarHBondContact O-N 3.47Å; E732-Q736 VanDerWaalsContact O-N 3.13Å
733	K	44.5	Very low	44.7	Very low	136 Å²	136	132 Å²	132	59%	0.591	64%	0.642	S	S	*	*	H	α-helix	trans	-57.4	-44.5	175.1	-80.5	-170	171.2	-164.2	0	112.4	R729 K735 Q736 E737	R729-K733 WeakPolarHBondContact O-CG 3.39Å; R729-K733 PolarHBondContact O-N 2.91Å; K733-K735 PolarHBondContact O-N 3.41Å; K733-Q736 PolarHBondContact O-N 3.22Å; K733-E737 PolarHBondContact O-N 2.57Å; K733-E737 VanDerWaalsContact O-N 3.08Å
734	L	46.2	Very low	43.8	Very low	111 Å²	111	137.5 Å²	137.5	58%	0.581	67%	0.674	S	S	*	*	H	α-helix	trans	-61.8	-22.8	175.7	-78.8	163.2	0	0	0	113.7	K730 E732	K730-L734 PolarHBondContact O-N 2.85Å; E732-L734 VanDerWaalsContact C-N 3.32Å; E732-L734 PolarHBondContact O-N 3.46Å
735	K	43.4	Very low	42.6	Very low	161 Å²	161	141 Å²	141	70%	0.7	69%	0.693	S	S	*	*	H	α-helix	trans	-84.4	-24.4	171.7	-75	-174.1	174.8	-179.5	0	113.7	E732 K733	E732-K735 WeakPolarHBondContact O-CB 3.36Å; E732-K735 PolarHBondContact O-N 3.45Å; K733-K735 PolarHBondContact O-N 3.41Å
736	Q	45.7	Very low	41.4	Very low	148 Å²	148	142.9 Å²	142.9	69%	0.692	71%	0.709	S	S	*	*	H	α-helix	trans	-79.2	-36	175.3	-77.4	-175.5	-33.2	0	0	112.3	E732 K733 Q738 K739	E732-Q736 PolarHBondContact O-N 3.47Å; E732-Q736 VanDerWaalsContact O-N 3.13Å; K733-Q736 PolarHBondContact O-N 3.22Å; Q736-Q738 PolarHBondContact O-N 2.86Å; Q736-Q738 VanDerWaalsContact O-N 3.11Å; Q736-K739 PolarHBondContact O-N 2.9Å
737	E	41.3	Very low	40.4	Very low	156 Å²	156	143 Å²	143	73%	0.729	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-12.9	-179	-71.4	171.8	171.3	0	0	113.9	K733	K733-E737 PolarHBondContact O-N 2.57Å; K733-E737 VanDerWaalsContact O-N 3.08Å
738	Q	45.3	Very low	39.2	Very low	176 Å²	176	143 Å²	143	82%	0.822	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	5.3	170.5	-67.6	-169.8	-9.6	0	0	114.6	Q736	Q736-Q738 PolarHBondContact O-N 2.86Å; Q736-Q738 VanDerWaalsContact O-N 3.11Å
739	K	42.6	Very low	38	Very low	194 Å²	194	142 Å²	142	84%	0.843	74%	0.738	S	S	*	*	S	Bend	trans	-134.4	77.9	-179	-90.3	-171.2	171.9	-179.9	0	113.7	Q736	Q736-K739 PolarHBondContact O-N 2.9Å
740	G	29.7	Very low	36.7	Very low	74 Å²	74	141 Å²	141	76%	0.763	74%	0.743	S	S	*	*			trans	172.4	100.5	159.7	0	0	0	0	0	117.7
741	Q	29.6	Very low	35.7	Very low	195 Å²	195	144 Å²	144	91%	0.911	75%	0.75	S	S	*	*			trans	-158	159	135	-101.2	-171.7	2.8	0	0	108.6
742	P	34.5	Very low	34.5	Very low	125 Å²	125	146.7 Å²	146.7	81%	0.812	76%	0.762	S	S	*	*			trans	-116	174.4	-137.9	15.5	7.5	0	0	0	117.6
743	R	33.3	Very low	33.5	Very low	235 Å²	235	144.4 Å²	144.4	89%	0.887	77%	0.772	S	S	*	*			trans	-59.8	161.1	169.5	-61.6	170.5	168.9	165.7	-6.5	111.3
744	T	27.1	Very low	33.2	Very low	130 Å²	130	143.5 Å²	143.5	80%	0.798	78%	0.78	S	S	*	*			cis	-153.6	-177.3	50	46.2	0	0	0	0	110.4
745	V	25.3	Very low	32.3	Very low	134 Å²	134	143.6 Å²	143.6	81%	0.812	79%	0.79	S	S	*	*			cis	-148.4	160.4	23.7	-176.5	0	0	0	0	109.4
746	S	29.1	Very low	31.6	Very low	106 Å²	106	141.2 Å²	141.2	74%	0.741	79%	0.794	S	S	*	*			trans	-109.1	154.4	172.9	-46.5	0	0	0	0	111.9
747	P	35	Very low	31.3	Very low	120 Å²	120	138.7 Å²	138.7	78%	0.779	80%	0.799	S	S	*	*				-149.1	138.4	91.3	36.6	-18.5	0	0	0	117.9
748	S	23.6	Very low	30.8	Very low	110 Å²	110	137.8 Å²	137.8	77%	0.769	81%	0.806	S	S	*	*			trans	47.2	117.3	135.1	-50.1	0	0	0	0	122.8
749	T	26.8	Very low	30	Very low	131 Å²	131	133.4 Å²	133.4	80%	0.804	80%	0.8	S	S	*	*				-164	114.1	126.1	8	0	0	0	0	114.2
750	I	25.4	Very low	29.7	Very low	148 Å²	148	130.5 Å²	130.5	76%	0.759	80%	0.799	S	S	*	*			trans	53.4	124.7	132.2	-57.3	177	0	0	0	121.8
751	R	26.7	Very low	29.8	Very low	216 Å²	216	132.6 Å²	132.6	82%	0.815	80%	0.799	S	S	*	*			trans	77.8	115.7	153.1	-82.5	179.3	166.3	173.1	-1.6	122.8
752	D	24.5	Very low	29.5	Very low	146 Å²	146	129 Å²	129	78%	0.781	79%	0.791	S	S	*	*				40.3	127.1	112.1	-48.2	-23.4	0	0	0	120.9
753	G	23.7	Very low	29.1	Very low	80 Å²	80	132.2 Å²	132.2	83%	0.825	79%	0.791	S	S	*	*			trans	-151.9	104.3	159.5	0	0	0	0	0	112.2
754	P	37.7	Very low	28.8	Very low	118 Å²	118	125.5 Å²	125.5	77%	0.766	79%	0.786	S	S	*	*			trans	-107.6	147.2	175.5	36.3	-29.3	0	0	0	114.1
755	S	27.2	Very low	29.1	Very low	112 Å²	112	124.4 Å²	124.4	78%	0.783	78%	0.782	S	S	*	*			trans	75.9	150.3	159.3	-159.5	0	0	0	0	120.4
756	S	30.1	Very low	29.2	Very low	111 Å²	111	129.5 Å²	129.5	78%	0.776	79%	0.788	S	S	*	*			trans	80.8	120.3	155.3	-51.4	0	0	0	0	119.1
757	A	38.9	Very low	29.2	Very low	96 Å²	96	129.4 Å²	129.4	79%	0.793	79%	0.787	S	S	*	*			trans	-80.7	157.8	169.8	0	0	0	0	0	112.1
758	P	31.7	Very low	29.3	Very low	137 Å²	137	129.1 Å²	129.1	89%	0.89	79%	0.785	S	S	*	*				-144.6	-156.8	107.2	38.9	-22.4	0	0	0	113.7
759	A	27.4	Very low	29.7	Very low	84 Å²	84	130.4 Å²	130.4	69%	0.694	79%	0.789	S	S	*	*			trans	-101.7	156.8	-161.1	0	0	0	0	0	117.1
760	T	36	Very low	30.5	Very low	133 Å²	133	130 Å²	130	82%	0.816	79%	0.786	S	S	*	*			trans	28.9	128.1	153.3	56.8	0	0	0	0	120.6
761	P	33.4	Very low	31.5	Very low	117 Å²	117	127 Å²	127	76%	0.76	78%	0.779	S	S	*	*				-151	139.4	108.3	35.8	-18	0	0	0	118.7
762	T	22.8	Very low	33	Very low	121 Å²	121	124.9 Å²	124.9	74%	0.742	78%	0.775	S	S	*	*				60.4	115.3	120.9	-47.5	0	0	0	0	124
763	K	25.9	Very low	35.2	Very low	191 Å²	191	123.2 Å²	123.2	83%	0.83	76%	0.763	S	S	*	*			trans	73.5	119	144.1	-75.6	175.9	-177.2	178.1	0	123.9
764	A	27.6	Very low	37.9	Very low	94 Å²	94	121.4 Å²	121.4	78%	0.777	73%	0.732	S	S	*	*				69.9	165.7	122.8	0	0	0	0	0	120
765	P	32	Very low	40	Very low	108 Å²	108	120.5 Å²	120.5	70%	0.701	72%	0.716	S	S	*	*			cis	-124	164.8	-2.5	41	-27.8	0	0	0	115.5
766	Y	28.3	Very low	42.8	Very low	240 Å²	240	115.1 Å²	115.1	94%	0.941	68%	0.679	S	S	*	*			trans	-143.9	135.9	150.4	-114.1	-86.1	0	0	0	109.7
767	S	27.7	Very low	45.5	Very low	104 Å²	104	113.8 Å²	113.8	73%	0.727	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-96	153.7	-174	-62.4	0	0	0	0	112
768	P	38.3	Very low	47.9	Very low	114 Å²	114	109.2 Å²	109.2	74%	0.74	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-85.1	140.3	-165.1	32.6	-35.9	0	0	0	114.3
769	T	32.6	Very low	50.4	Low	138 Å²	138	104.6 Å²	104.6	85%	0.847	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-80.3	135.9	153.7	43.6	0	0	0	0	109.4	S771	T769-S771 PolarHBondContact O-N 3.21Å
770	T	42.7	Very low	53.2	Low	122 Å²	122	100.8 Å²	100.8	75%	0.748	56%	0.556	S	S	*	*			trans	-89.3	92.7	-159.5	46.1	0	0	0	0	114.1
771	S	46.1	Very low	55.3	Low	86 Å²	86	98.6 Å²	98.6	60%	0.601	54%	0.54	S	S	*	.			trans	-80.1	128.2	148	54.3	0	0	0	0	109.2	T769	T769-S771 PolarHBondContact O-N 3.21Å
772	K	58.9	Low	57.5	Low	170 Å²	170	97.1 Å²	97.1	74%	0.739	53%	0.525	S	S	*	.			trans	-86.6	3.1	178.2	-66.1	-175.4	179.3	178.9	0	113.1	S792	K772-S792 VanDerWaalsContact C-OG 3.31Å; K772-S792 PolarHBondContact O-N 2.8Å; K772-S792 PolarHBondContact O-OG 3.45Å
773	E	69.8	Low	59.6	Low	111 Å²	111	93.6 Å²	93.6	52%	0.519	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	132.3	-166.9	-68.1	173.9	-171.5	0	0	111.3	T789 L790	E773-T789 HydrophobicContact CB-CG2 3.91Å; E773-T789 HydrophobicContact CG-CG2 4.28Å; E773-L790 CarbonylContact C-O 3.41Å; E773-L790 VanDerWaalsContact CA-O 3.24Å; E773-L790 WeakPolarHBondContact CA-O 3.07Å
774	K	79.9	Confident	62.4	Low	43 Å²	43	90 Å²	90	19%	0.187	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.5	177	-61.2	173.4	179.2	177.3	0	108.1	L790 L839	K774-L790 PolarHBondContact N-O 2.63Å; K774-L790 PolarHBondContact O-N 2.93Å; K774-L839 WeakPolarHBondContact CD-O 3.49Å; K774-L839 VanDerWaalsContact CE-O 3.3Å; K774-L839 WeakPolarHBondContact CE-O 3.42Å; K774-L839 PolarHBondContact NZ-O 2.79Å
775	K	82.3	Confident	65.2	Low	98 Å²	98	90.2 Å²	90.2	43%	0.426	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130.4	172.2	-61.8	-165.2	174.5	-171.4	0	109.4	M787 T789 H841 G842	K775-M787 HydrophobicContact CB-CE 4.06Å; K775-T789 WeakPolarHBondContact CE-OG1 3.24Å; K775-T789 HydrophobicContact CG-CG2 4.05Å; K775-H841 PolarHBondContact N-ND1 2.91Å; K775-G842 PolarHBondContact O-N 2.76Å
776	I	87.1	Confident	67.7	Low	0 Å²	0	86.6 Å²	86.6	0%	0	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148.5	-179.6	53.5	159.6	0	0	0	110	I778 M787 V788 L790 L799 D843 I845	I776-I778 HydrophobicContact CD1-CD1 3.78Å; I776-I778 HydrophobicContact CD1-CG1 3.79Å; I776-I778 HydrophobicContact CG1-CG1 4.27Å; I776-M787 CarbonylContact O-C 3.6Å; I776-M787 WeakPolarHBondContact O-CA 3.17Å; I776-V788 HydrophobicContact CD1-CB 4.5Å; I776-V788 HydrophobicContact CG1-CB 4.2Å; I776-V788 WeakPolarHBondContact CG1-O 3.29Å; I776-V788 PolarHBondContact N-O 3.41Å; I776-V788 PolarHBondContact O-N 3.36Å; I776-L790 HydrophobicContact CD1-CD1 3.63Å; I776-L790 HydrophobicContact CD1-CG 4.07Å; I776-L790 HydrophobicContact CG1-CD1 4.14Å; I776-L790 HydrophobicContact CG1-CG 4.21Å; I776-L799 HydrophobicContact CD1-CD1 4.14Å; I776-D843 WeakPolarHBondContact CA-O 3.5Å; I776-D843 HydrophobicContact CG2-CB 4.15Å; I776-I845 HydrophobicContact CD1-CD1 3.54Å; I776-I845 HydrophobicContact CD1-CG1 4.48Å
777	R	85.1	Confident	70.4	Confident	82 Å²	82	80.1 Å²	80.1	31%	0.309	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	115	172.2	-169.4	168.2	175.8	161.1	-4.8	108.6	M787 D843 R844 I845	R777-M787 HydrophobicContact CB-SD 3.53Å; R777-M787 VanDerWaalsContact CB-SD 3.53Å; R777-M787 HydrophobicContact CG-SD 3.83Å; R777-D843 PolarHBondContact N-O 3.02Å; R777-R844 HydrophobicContact CB-CG 4.4Å; R777-R844 WeakPolarHBondContact O-CA 3.48Å; R777-I845 PolarHBondContact O-N 2.79Å
778	I	89.7	Confident	73	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	128	175.4	-54.8	-168.3	0	0	0	108.4	I776 Q785 S786 V788 I803 F807 I845 I847	I776-I778 HydrophobicContact CD1-CD1 3.78Å; I776-I778 HydrophobicContact CD1-CG1 3.79Å; I776-I778 HydrophobicContact CG1-CG1 4.27Å; I778-Q785 CarbonylContact O-C 3.59Å; I778-Q785 VanDerWaalsContact O-CA 3.24Å; I778-Q785 WeakPolarHBondContact O-CA 3.45Å; I778-S786 PolarHBondContact N-O 2.91Å; I778-S786 PolarHBondContact O-N 3.01Å; I778-V788 HydrophobicContact CD1-CB 3.97Å; I778-V788 HydrophobicContact CD1-CG2 3.61Å; I778-V788 HydrophobicContact CG1-CB 4.4Å; I778-V788 HydrophobicContact CG1-CG2 4.1Å; I778-I803 HydrophobicContact CD1-CD1 4.4Å; I778-I803 HydrophobicContact CD1-CG1 3.73Å; I778-F807 HydrophobicContact CB-CE2 3.9Å; I778-F807 HydrophobicContact CB-CZ 3.99Å; I778-F807 HydrophobicContact CG2-CD2 4.49Å; I778-F807 HydrophobicContact CG2-CE2 3.58Å; I778-F807 HydrophobicContact CG2-CZ 3.86Å; I778-I845 WeakPolarHBondContact CA-O 3.43Å; I778-I847 HydrophobicContact CG2-CD1 3.33Å; I778-I847 HydrophobicContact CG2-CG1 3.8Å
779	T	85.8	Confident	75.2	Confident	40 Å²	40	73.2 Å²	73.2	25%	0.245	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.7	176.1	-64.6	0	0	0	0	108.7	Q785 I845 T846 I847	T779-Q785 HydrophobicContact CG2-CG 4.16Å; T779-I845 PolarHBondContact N-O 2.89Å; T779-T846 CarbonylContact O-C 3.35Å; T779-T846 VanDerWaalsContact O-CA 3.24Å; T779-T846 WeakPolarHBondContact O-CA 3.47Å; T779-I847 PolarHBondContact O-N 3.4Å
780	T	85.5	Confident	77.5	Confident	4 Å²	4	67 Å²	67	3%	0.025	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	156.7	177.1	53.3	0	0	0	0	111.1	D782 G783 R784 F807 I809 I847	T780-D782 PolarHBondContact O-N 3.44Å; T780-D782 PolarHBondContact OG1-OD1 3.21Å; T780-G783 PolarHBondContact O-N 2.83Å; T780-R784 PolarHBondContact N-O 2.86Å; T780-R784 WeakPolarHBondContact OG1-CA 3.15Å; T780-R784 WeakPolarHBondContact OG1-CB 3.36Å; T780-R784 PolarHBondContact OG1-N 2.75Å; T780-R784 VanDerWaalsContact OG1-N 3.13Å; T780-R784 PolarHBondContact OG1-O 3.5Å; T780-F807 HydrophobicContact CG2-CD1 3.86Å; T780-F807 HydrophobicContact CG2-CE1 4.09Å; T780-F807 HydrophobicContact CG2-CG 4.13Å; T780-I809 HydrophobicContact CG2-CD1 3.76Å; T780-I847 CarbonylContact C-O 3.44Å; T780-I847 WeakPolarHBondContact CA-O 3.34Å; T780-I847 HydrophobicContact CG2-CB 4.2Å
781	N	80.9	Confident	79.4	Confident	88 Å²	88	67.8 Å²	67.8	47%	0.471	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-12	179.3	66.3	-23.6	0	0	0	114.5	G783 I847 E848 I849	N781-G783 VanDerWaalsContact C-N 3.35Å; N781-I847 PolarHBondContact N-O 3.1Å; N781-I847 PolarHBondContact OD1-O 2.89Å; N781-E848 HydrophobicContact CB-CG 4.36Å; N781-I849 PolarHBondContact ND2-N 3.1Å; N781-I849 WeakPolarHBondContact OD1-CB 3.43Å; N781-I849 WeakPolarHBondContact OD1-CG1 3.47Å; N781-I849 PolarHBondContact OD1-N 3.36Å
782	D	77.6	Confident	80.6	Confident	85 Å²	85	66.2 Å²	66.2	46%	0.455	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	4.8	168.7	75.4	10.2	0	0	0	113.9	T780 R784 I849	T780-D782 PolarHBondContact O-N 3.44Å; T780-D782 PolarHBondContact OG1-OD1 3.21Å; D782-R784 WeakPolarHBondContact OD1-CG 3.31Å; D782-R784 IonicContact OD1-CZ 2.65Å; D782-R784 PolarHBondContact OD1-N 3.24Å; D782-R784 IonicContact OD1-NE 2.65Å; D782-R784 PolarHBondContact OD1-NE 3.06Å; D782-R784 IonicContact OD1-NH2 4Å; D782-R784 IonicContact OD2-CZ 3.9Å; D782-R784 VanDerWaalsContact OD2-CZ 3.26Å; D782-R784 IonicContact OD2-NE 3.02Å; D782-R784 PolarHBondContact OD2-NE 2.9Å; D782-R784 IonicContact OD2-NH2 2.7Å; D782-R784 PolarHBondContact OD2-NH2 3.38Å; D782-I849 HydrophobicContact CB-CD1 4.48Å; D782-I849 WeakPolarHBondContact OD2-CD1 3.39Å
783	G	68.8	Low	81.5	Confident	47 Å²	47	62 Å²	62	49%	0.485	32%	0.323	S	S	.	.	S	Bend	trans	96.1	-8.5	172.3	0	0	0	0	0	115.4	T780 N781 Q785	T780-G783 PolarHBondContact O-N 2.83Å; N781-G783 VanDerWaalsContact C-N 3.35Å; G783-Q785 WeakPolarHBondContact O-CG 3.32Å
784	R	84.1	Confident	82.1	Confident	115 Å²	115	57.2 Å²	57.2	43%	0.434	30%	0.301	S	S	.	.			trans	-70.2	141.9	177.2	-62.6	179.5	-82.3	164.1	-10.9	111.3	T780 D782 F807	T780-R784 PolarHBondContact N-O 2.86Å; T780-R784 WeakPolarHBondContact OG1-CA 3.15Å; T780-R784 WeakPolarHBondContact OG1-CB 3.36Å; T780-R784 PolarHBondContact OG1-N 2.75Å; T780-R784 VanDerWaalsContact OG1-N 3.13Å; T780-R784 PolarHBondContact OG1-O 3.5Å; D782-R784 WeakPolarHBondContact OD1-CG 3.31Å; D782-R784 IonicContact OD1-CZ 2.65Å; D782-R784 PolarHBondContact OD1-N 3.24Å; D782-R784 IonicContact OD1-NE 2.65Å; D782-R784 PolarHBondContact OD1-NE 3.06Å; D782-R784 IonicContact OD1-NH2 4Å; D782-R784 IonicContact OD2-CZ 3.9Å; D782-R784 VanDerWaalsContact OD2-CZ 3.26Å; D782-R784 IonicContact OD2-NE 3.02Å; D782-R784 PolarHBondContact OD2-NE 2.9Å; D782-R784 IonicContact OD2-NH2 2.7Å; D782-R784 PolarHBondContact OD2-NH2 3.38Å; R784-F807 HydrophobicContact CB-CD1 4.18Å; R784-F807 HydrophobicContact CB-CE1 4.2Å; R784-F807 PolarHBondContact NH1-O 2.97Å
785	Q	86.9	Confident	82.4	Confident	100 Å²	100	56.1 Å²	56.1	47%	0.467	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	143.9	-174.5	-41.4	-174.9	28.4	0	0	111.5	I778 T779 G783	I778-Q785 CarbonylContact O-C 3.59Å; I778-Q785 VanDerWaalsContact O-CA 3.24Å; I778-Q785 WeakPolarHBondContact O-CA 3.45Å; T779-Q785 HydrophobicContact CG2-CG 4.16Å; G783-Q785 WeakPolarHBondContact O-CG 3.32Å
786	S	83.6	Confident	82.6	Confident	32 Å²	32	52.2 Å²	52.2	22%	0.224	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	162.4	171.5	-169	0	0	0	0	112.7	I778 E806	I778-S786 PolarHBondContact N-O 2.91Å; I778-S786 PolarHBondContact O-N 3.01Å; S786-E806 VanDerWaalsContact CB-OE1 3.29Å; S786-E806 WeakPolarHBondContact CB-OE1 3.3Å; S786-E806 PolarHBondContact OG-OE1 2.81Å
787	M	85.1	Confident	82.4	Confident	103 Å²	103	57.2 Å²	57.2	51%	0.507	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	86	179.3	-77.3	-61.6	-48.9	0	0	110.8	K775 I776 R777	K775-M787 HydrophobicContact CB-CE 4.06Å; I776-M787 CarbonylContact O-C 3.6Å; I776-M787 WeakPolarHBondContact O-CA 3.17Å; R777-M787 HydrophobicContact CB-SD 3.53Å; R777-M787 VanDerWaalsContact CB-SD 3.53Å; R777-M787 HydrophobicContact CG-SD 3.83Å
788	V	82.9	Confident	82.3	Confident	9 Å²	9	57.6 Å²	57.6	6%	0.055	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	135	-177.5	-179.1	0	0	0	0	110.7	I776 I778 L790 S802 E806	I776-V788 HydrophobicContact CD1-CB 4.5Å; I776-V788 HydrophobicContact CG1-CB 4.2Å; I776-V788 WeakPolarHBondContact CG1-O 3.29Å; I776-V788 PolarHBondContact N-O 3.41Å; I776-V788 PolarHBondContact O-N 3.36Å; I778-V788 HydrophobicContact CD1-CB 3.97Å; I778-V788 HydrophobicContact CD1-CG2 3.61Å; I778-V788 HydrophobicContact CG1-CB 4.4Å; I778-V788 HydrophobicContact CG1-CG2 4.1Å; V788-L790 HydrophobicContact CG1-CD2 3.6Å; V788-L790 HydrophobicContact CG1-CG 4.38Å; V788-S802 WeakPolarHBondContact CG1-OG 3.43Å; V788-E806 HydrophobicContact CG2-CG 4.09Å
789	T	83.9	Confident	82.1	Confident	64 Å²	64	57.6 Å²	57.6	39%	0.393	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	107.7	176	-56.4	0	0	0	0	109.6	E773 K775	E773-T789 HydrophobicContact CB-CG2 3.91Å; E773-T789 HydrophobicContact CG-CG2 4.28Å; K775-T789 WeakPolarHBondContact CE-OG1 3.24Å; K775-T789 HydrophobicContact CG-CG2 4.05Å
790	L	81.8	Confident	82.2	Confident	8 Å²	8	57.1 Å²	57.1	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	158.9	179.4	-52.8	179.7	0	0	0	111.1	E773 K774 I776 V788 T794 L799 L839	E773-L790 CarbonylContact C-O 3.41Å; E773-L790 VanDerWaalsContact CA-O 3.24Å; E773-L790 WeakPolarHBondContact CA-O 3.07Å; K774-L790 PolarHBondContact N-O 2.63Å; K774-L790 PolarHBondContact O-N 2.93Å; I776-L790 HydrophobicContact CD1-CD1 3.63Å; I776-L790 HydrophobicContact CD1-CG 4.07Å; I776-L790 HydrophobicContact CG1-CD1 4.14Å; I776-L790 HydrophobicContact CG1-CG 4.21Å; V788-L790 HydrophobicContact CG1-CD2 3.6Å; V788-L790 HydrophobicContact CG1-CG 4.38Å; L790-T794 HydrophobicContact CB-CG2 4.42Å; L790-T794 HydrophobicContact CD1-CG2 4.39Å; L790-T794 HydrophobicContact CD2-CG2 4.26Å; L790-L799 HydrophobicContact CD1-CD1 3.96Å; L790-L799 HydrophobicContact CD2-CD1 4.08Å; L790-L839 HydrophobicContact CD1-CD1 4.33Å
791	K	81.2	Confident	82.1	Confident	139 Å²	139	61.8 Å²	61.8	60%	0.604	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	152.4	168.2	-66.1	171.9	-175.1	168.4	0	109.4	S793 T794	K791-S793 PolarHBondContact O-N 3.48Å; K791-T794 PolarHBondContact N-OG1 2.97Å; K791-T794 WeakPolarHBondContact O-CB 3.48Å; K791-T794 PolarHBondContact O-N 3.01Å; K791-T794 PolarHBondContact O-OG1 2.78Å
792	S	71.8	Confident	82.2	Confident	52 Å²	52	59.1 Å²	59.1	36%	0.364	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.1	178.9	-64.4	0	0	0	0	114.4	K772	K772-S792 VanDerWaalsContact C-OG 3.31Å; K772-S792 PolarHBondContact O-N 2.8Å; K772-S792 PolarHBondContact O-OG 3.45Å
793	S	78.1	Confident	82.6	Confident	82 Å²	82	55 Å²	55	57%	0.573	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	8.7	177.9	63.9	0	0	0	0	115	K791 T795	K791-S793 PolarHBondContact O-N 3.48Å; S793-T795 PolarHBondContact O-N 2.64Å
794	T	83.1	Confident	83.4	Confident	10 Å²	10	53.8 Å²	53.8	6%	0.061	28%	0.276	C	S	.	.			trans	-62.7	130.1	-172.8	-78.6	0	0	0	0	112.6	L790 K791 E798 L799 P836 V837	L790-T794 HydrophobicContact CB-CG2 4.42Å; L790-T794 HydrophobicContact CD1-CG2 4.39Å; L790-T794 HydrophobicContact CD2-CG2 4.26Å; K791-T794 PolarHBondContact N-OG1 2.97Å; K791-T794 WeakPolarHBondContact O-CB 3.48Å; K791-T794 PolarHBondContact O-N 3.01Å; K791-T794 PolarHBondContact O-OG1 2.78Å; T794-E798 VanDerWaalsContact CA-OE2 3.3Å; T794-E798 WeakPolarHBondContact CA-OE2 3.47Å; T794-E798 HydrophobicContact CG2-CB 3.81Å; T794-E798 PolarHBondContact OG1-OE2 3.11Å; T794-L799 HydrophobicContact CG2-CB 4.25Å; T794-P836 CarbonylContact O-C 3.47Å; T794-P836 VanDerWaalsContact O-CA 3.24Å; T794-P836 WeakPolarHBondContact O-CA 3.39Å; T794-V837 WeakPolarHBondContact O-CG2 3.36Å; T794-V837 PolarHBondContact O-N 3.16Å
795	T	85.9	Confident	83.4	Confident	20 Å²	20	56.6 Å²	56.6	12%	0.123	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-84.3	171.3	179.8	65.7	0	0	0	0	112.4	S793 F797 E798 L799	S793-T795 PolarHBondContact O-N 2.64Å; T795-F797 PolarHBondContact O-N 2.87Å; T795-E798 PolarHBondContact N-OE2 2.97Å; T795-E798 PolarHBondContact O-N 2.87Å; T795-E798 WeakPolarHBondContact OG1-CG 3.42Å; T795-E798 PolarHBondContact OG1-N 2.91Å; T795-L799 PolarHBondContact O-N 2.85Å
796	F	85.3	Confident	83.3	Confident	16 Å²	16	56.3 Å²	56.3	7%	0.07	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-45.9	177.8	-178.7	-91.6	0	0	0	112.6	L799 Q800 I816 L825 P827 P828 V837	F796-L799 WeakPolarHBondContact O-CB 3.39Å; F796-L799 PolarHBondContact O-N 3.03Å; F796-Q800 WeakPolarHBondContact O-CB 3.35Å; F796-Q800 PolarHBondContact O-N 3.1Å; F796-I816 HydrophobicContact CE2-CD1 4.35Å; F796-I816 HydrophobicContact CZ-CD1 4.39Å; F796-L825 HydrophobicContact CD2-CD2 3.86Å; F796-L825 HydrophobicContact CD2-CG 3.93Å; F796-L825 HydrophobicContact CE2-CB 4.39Å; F796-L825 HydrophobicContact CE2-CD2 3.97Å; F796-L825 HydrophobicContact CE2-CG 3.85Å; F796-L825 VanDerWaalsContact CE2-O 3.26Å; F796-L825 WeakPolarHBondContact CE2-O 3.41Å; F796-P827 HydrophobicContact CD1-CB 4.07Å; F796-P827 HydrophobicContact CE1-CB 3.72Å; F796-P827 HydrophobicContact CZ-CB 4.17Å; F796-P828 HydrophobicContact CB-CG 4.2Å; F796-V837 HydrophobicContact CB-CG1 4.21Å
797	F	82.9	Confident	83.3	Confident	106 Å²	106	55.3 Å²	55.3	47%	0.465	28%	0.277	S	S	.	.	H	α-helix	trans	-68.9	-37.6	-179.6	-65.9	-71.7	0	0	0	112.4	T795 L799 Q800 E801 P828 E833	T795-F797 PolarHBondContact O-N 2.87Å; F797-L799 VanDerWaalsContact C-N 3.33Å; F797-L799 PolarHBondContact O-N 2.88Å; F797-Q800 PolarHBondContact O-N 3.08Å; F797-E801 WeakPolarHBondContact O-CB 3.41Å; F797-E801 PolarHBondContact O-N 2.81Å; F797-P828 HydrophobicContact CE2-CG 4.13Å; F797-E833 HydrophobicContact CE2-CG 4.29Å
798	E	83.1	Confident	83.2	Confident	90 Å²	90	57.2 Å²	57.2	42%	0.421	29%	0.289	S	S	.	.	H	α-helix	trans	-62.7	-38	172.8	-75.5	175.1	-159.6	0	0	112.3	T794 T795 S802	T794-E798 VanDerWaalsContact CA-OE2 3.3Å; T794-E798 WeakPolarHBondContact CA-OE2 3.47Å; T794-E798 HydrophobicContact CG2-CB 3.81Å; T794-E798 PolarHBondContact OG1-OE2 3.11Å; T795-E798 PolarHBondContact N-OE2 2.97Å; T795-E798 PolarHBondContact O-N 2.87Å; T795-E798 WeakPolarHBondContact OG1-CG 3.42Å; T795-E798 PolarHBondContact OG1-N 2.91Å; E798-S802 WeakPolarHBondContact O-CB 3.23Å; E798-S802 PolarHBondContact O-N 3Å
799	L	86.4	Confident	83.2	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-48.3	172.7	173.1	60.3	0	0	0	111.1	I776 L790 T794 T795 F796 F797 E801 S802 I803 L825 V837 L839	I776-L799 HydrophobicContact CD1-CD1 4.14Å; L790-L799 HydrophobicContact CD1-CD1 3.96Å; L790-L799 HydrophobicContact CD2-CD1 4.08Å; T794-L799 HydrophobicContact CG2-CB 4.25Å; T795-L799 PolarHBondContact O-N 2.85Å; F796-L799 WeakPolarHBondContact O-CB 3.39Å; F796-L799 PolarHBondContact O-N 3.03Å; F797-L799 VanDerWaalsContact C-N 3.33Å; F797-L799 PolarHBondContact O-N 2.88Å; L799-E801 VanDerWaalsContact C-N 3.32Å; L799-E801 PolarHBondContact O-N 2.89Å; L799-S802 WeakPolarHBondContact O-CB 3.46Å; L799-S802 PolarHBondContact O-N 2.93Å; L799-I803 HydrophobicContact CD1-CD1 3.88Å; L799-I803 HydrophobicContact CD1-CG1 4.29Å; L799-I803 HydrophobicContact CG-CD1 3.85Å; L799-I803 WeakPolarHBondContact O-CD1 3.49Å; L799-I803 WeakPolarHBondContact O-CG1 3.26Å; L799-I803 PolarHBondContact O-N 3.35Å; L799-L825 HydrophobicContact CD2-CD2 4.06Å; L799-V837 HydrophobicContact CB-CG1 4.45Å; L799-V837 HydrophobicContact CD2-CB 4.49Å; L799-V837 HydrophobicContact CD2-CG1 4.09Å; L799-V837 HydrophobicContact CD2-CG2 4.33Å; L799-L839 HydrophobicContact CD2-CD1 3.79Å
800	Q	86.6	Confident	83	Confident	29 Å²	29	56.3 Å²	56.3	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-37.3	-179.6	-156	-179.6	15.9	0	0	112.1	F796 F797 A804 P811 Q814 I816	F796-Q800 WeakPolarHBondContact O-CB 3.35Å; F796-Q800 PolarHBondContact O-N 3.1Å; F797-Q800 PolarHBondContact O-N 3.08Å; Q800-A804 WeakPolarHBondContact O-CB 3.41Å; Q800-A804 PolarHBondContact O-N 2.81Å; Q800-P811 HydrophobicContact CG-CB 3.91Å; Q800-P811 PolarHBondContact NE2-O 2.84Å; Q800-Q814 PolarHBondContact O-NE2 3.22Å; Q800-Q814 PolarHBondContact O-OE1 2.95Å; Q800-I816 HydrophobicContact CG-CD1 4.48Å
801	E	83.2	Confident	83	Confident	103 Å²	103	58.5 Å²	58.5	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-70.8	-40.1	173.4	-155.2	-145.1	142.6	0	0	111.8	F797 L799 I803 A804 R805	F797-E801 WeakPolarHBondContact O-CB 3.41Å; F797-E801 PolarHBondContact O-N 2.81Å; L799-E801 VanDerWaalsContact C-N 3.32Å; L799-E801 PolarHBondContact O-N 2.89Å; E801-I803 VanDerWaalsContact C-N 3.3Å; E801-I803 PolarHBondContact O-N 2.87Å; E801-A804 WeakPolarHBondContact O-CB 3.47Å; E801-A804 PolarHBondContact O-N 2.87Å; E801-A804 VanDerWaalsContact O-N 3.17Å; E801-R805 WeakPolarHBondContact O-CB 3.49Å; E801-R805 PolarHBondContact O-N 2.87Å; E801-R805 IonicContact OE1-CZ 3.1Å; E801-R805 IonicContact OE1-NE 2.84Å; E801-R805 IonicContact OE1-NH2 3.03Å; E801-R805 PolarHBondContact OE1-NH2 3.34Å; E801-R805 IonicContact OE2-NH2 3.87Å
802	S	83.8	Confident	82.8	Confident	31 Å²	31	60.2 Å²	60.2	22%	0.217	30%	0.303	C	S	.	.	H	α-helix	trans	-62.1	-38.2	174.9	-168.2	0	0	0	0	111.9	V788 E798 L799 E806	V788-S802 WeakPolarHBondContact CG1-OG 3.43Å; E798-S802 WeakPolarHBondContact O-CB 3.23Å; E798-S802 PolarHBondContact O-N 3Å; L799-S802 WeakPolarHBondContact O-CB 3.46Å; L799-S802 PolarHBondContact O-N 2.93Å; S802-E806 VanDerWaalsContact O-CB 3.28Å; S802-E806 WeakPolarHBondContact O-CB 3.17Å; S802-E806 PolarHBondContact O-N 3.38Å
803	I	86.9	Confident	83.3	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.9	-44.3	172.7	-69	155.3	0	0	0	110.7	I778 L799 E801 R805 E806 F807 Q814 I816 I847	I778-I803 HydrophobicContact CD1-CD1 4.4Å; I778-I803 HydrophobicContact CD1-CG1 3.73Å; L799-I803 HydrophobicContact CD1-CD1 3.88Å; L799-I803 HydrophobicContact CD1-CG1 4.29Å; L799-I803 HydrophobicContact CG-CD1 3.85Å; L799-I803 WeakPolarHBondContact O-CD1 3.49Å; L799-I803 WeakPolarHBondContact O-CG1 3.26Å; L799-I803 PolarHBondContact O-N 3.35Å; E801-I803 VanDerWaalsContact C-N 3.3Å; E801-I803 PolarHBondContact O-N 2.87Å; I803-R805 VanDerWaalsContact C-N 3.26Å; I803-R805 PolarHBondContact O-N 2.87Å; I803-E806 PolarHBondContact O-N 2.83Å; I803-F807 HydrophobicContact CG2-CD2 4.25Å; I803-F807 PolarHBondContact O-N 3.13Å; I803-Q814 HydrophobicContact CG2-CG 4.06Å; I803-Q814 VanDerWaalsContact CG2-OE1 3.3Å; I803-I816 HydrophobicContact CD1-CD1 3.55Å; I803-I816 HydrophobicContact CD1-CG1 4.08Å; I803-I847 HydrophobicContact CB-CD1 4.18Å; I803-I847 HydrophobicContact CD1-CD1 3.48Å; I803-I847 VanDerWaalsContact CD1-CD1 3.48Å; I803-I847 HydrophobicContact CG1-CD1 3.63Å; I803-I847 HydrophobicContact CG2-CD1 3.43Å; I803-I847 VanDerWaalsContact CG2-CD1 3.43Å
804	A	85.1	Confident	83.6	Confident	20 Å²	20	55.8 Å²	55.8	17%	0.165	27%	0.268	C	S	.	.	H	α-helix	trans	-60.1	-40.7	179.7	0	0	0	0	0	111.4	Q800 E801 N808 I809 P811	Q800-A804 WeakPolarHBondContact O-CB 3.41Å; Q800-A804 PolarHBondContact O-N 2.81Å; E801-A804 WeakPolarHBondContact O-CB 3.47Å; E801-A804 PolarHBondContact O-N 2.87Å; E801-A804 VanDerWaalsContact O-N 3.17Å; A804-N808 WeakPolarHBondContact O-CA 3.46Å; A804-N808 PolarHBondContact O-N 2.93Å; A804-I809 VanDerWaalsContact CA-O 3.25Å; A804-I809 WeakPolarHBondContact CA-O 3.24Å; A804-I809 VanDerWaalsContact CB-O 3.3Å; A804-I809 WeakPolarHBondContact CB-O 3.29Å; A804-P811 HydrophobicContact CB-CG 4.29Å
805	R	84.3	Confident	83.8	Confident	175 Å²	175	55.5 Å²	55.5	66%	0.66	27%	0.267	S	S	*	.	H	α-helix	trans	-70.9	-37.6	178.5	-161.8	-175.6	-59.9	166	0.6	113.3	E801 I803	E801-R805 WeakPolarHBondContact O-CB 3.49Å; E801-R805 PolarHBondContact O-N 2.87Å; E801-R805 IonicContact OE1-CZ 3.1Å; E801-R805 IonicContact OE1-NE 2.84Å; E801-R805 IonicContact OE1-NH2 3.03Å; E801-R805 PolarHBondContact OE1-NH2 3.34Å; E801-R805 IonicContact OE2-NH2 3.87Å; I803-R805 VanDerWaalsContact C-N 3.26Å; I803-R805 PolarHBondContact O-N 2.87Å
806	E	84.8	Confident	83.9	Confident	94 Å²	94	54.7 Å²	54.7	44%	0.439	26%	0.262	S	S	.	.	H	α-helix	trans	-77.6	-40	-177.4	-170.8	71.5	-173.3	0	0	112.8	S786 V788 S802 I803	S786-E806 VanDerWaalsContact CB-OE1 3.29Å; S786-E806 WeakPolarHBondContact CB-OE1 3.3Å; S786-E806 PolarHBondContact OG-OE1 2.81Å; V788-E806 HydrophobicContact CG2-CG 4.09Å; S802-E806 VanDerWaalsContact O-CB 3.28Å; S802-E806 WeakPolarHBondContact O-CB 3.17Å; S802-E806 PolarHBondContact O-N 3.38Å; I803-E806 PolarHBondContact O-N 2.83Å
807	F	83.4	Confident	83.9	Confident	11 Å²	11	56.5 Å²	56.5	5%	0.048	27%	0.268	C	S	.	.	H	α-helix	trans	-112.6	-3.7	-171.7	-64.6	-84.9	0	0	0	114.7	I778 T780 R784 I803 I809	I778-F807 HydrophobicContact CB-CE2 3.9Å; I778-F807 HydrophobicContact CB-CZ 3.99Å; I778-F807 HydrophobicContact CG2-CD2 4.49Å; I778-F807 HydrophobicContact CG2-CE2 3.58Å; I778-F807 HydrophobicContact CG2-CZ 3.86Å; T780-F807 HydrophobicContact CG2-CD1 3.86Å; T780-F807 HydrophobicContact CG2-CE1 4.09Å; T780-F807 HydrophobicContact CG2-CG 4.13Å; R784-F807 HydrophobicContact CB-CD1 4.18Å; R784-F807 HydrophobicContact CB-CE1 4.2Å; R784-F807 PolarHBondContact NH1-O 2.97Å; I803-F807 HydrophobicContact CG2-CD2 4.25Å; I803-F807 PolarHBondContact O-N 3.13Å; F807-I809 VanDerWaalsContact C-N 3.3Å; F807-I809 HydrophobicContact CB-CD1 3.55Å; F807-I809 HydrophobicContact CB-CG1 3.88Å; F807-I809 HydrophobicContact CG-CD1 4.31Å; F807-I809 PolarHBondContact O-N 2.82Å
808	N	82	Confident	83.9	Confident	142 Å²	142	54.6 Å²	54.6	76%	0.759	26%	0.258	S	S	*	.			trans	57.3	36.3	-171.7	-67.2	-68.4	0	0	0	113.9	A804	A804-N808 WeakPolarHBondContact O-CA 3.46Å; A804-N808 PolarHBondContact O-N 2.93Å
809	I	83.2	Confident	83	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.026	26%	0.263	C	S	.	.			trans	-102.8	113.1	176.6	-54.7	158.9	0	0	0	109	T780 A804 F807 L813 Q814 I849	T780-I809 HydrophobicContact CG2-CD1 3.76Å; A804-I809 VanDerWaalsContact CA-O 3.25Å; A804-I809 WeakPolarHBondContact CA-O 3.24Å; A804-I809 VanDerWaalsContact CB-O 3.3Å; A804-I809 WeakPolarHBondContact CB-O 3.29Å; F807-I809 VanDerWaalsContact C-N 3.3Å; F807-I809 HydrophobicContact CB-CD1 3.55Å; F807-I809 HydrophobicContact CB-CG1 3.88Å; F807-I809 HydrophobicContact CG-CD1 4.31Å; F807-I809 PolarHBondContact O-N 2.82Å; I809-L813 HydrophobicContact CG2-CB 4.09Å; I809-Q814 HydrophobicContact CB-CG 4.2Å; I809-Q814 HydrophobicContact CG2-CG 3.66Å; I809-Q814 PolarHBondContact O-NE2 2.86Å; I809-I849 HydrophobicContact CD1-CD1 3.78Å; I809-I849 HydrophobicContact CD1-CG1 3.7Å; I809-I849 HydrophobicContact CG1-CD1 4.12Å; I809-I849 HydrophobicContact CG1-CG1 4.19Å; I809-I849 HydrophobicContact CG2-CG1 4.39Å; I809-I849 HydrophobicContact CG2-CG2 4.41Å
810	P	81.3	Confident	81.2	Confident	49 Å²	49	62.5 Å²	62.5	32%	0.318	31%	0.306	S	S	.	.			trans	-55.7	141.8	177.4	-26.4	34.7	0	0	0	112.6	Y812 L813	P810-Y812 HydrophobicContact CB-CD1 3.78Å; P810-Y812 HydrophobicContact CB-CE1 3.32Å; P810-Y812 HydrophobicContact CG-CE1 4.2Å; P810-Y812 PolarHBondContact O-N 2.82Å; P810-Y812 VanDerWaalsContact O-N 3.07Å; P810-L813 PolarHBondContact O-N 2.68Å
811	P	80.6	Confident	79.4	Confident	55 Å²	55	65.4 Å²	65.4	36%	0.357	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-48.8	-39.7	-176	-34.3	38.4	0	0	0	115.4	Q800 A804 L813 Q814	Q800-P811 HydrophobicContact CG-CB 3.91Å; Q800-P811 PolarHBondContact NE2-O 2.84Å; A804-P811 HydrophobicContact CB-CG 4.29Å; P811-L813 PolarHBondContact O-N 3.02Å; P811-Q814 PolarHBondContact O-N 3.26Å; P811-Q814 VanDerWaalsContact O-N 3.15Å
812	Y	77.7	Confident	78.7	Confident	174 Å²	174	64.1 Å²	64.1	68%	0.682	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-70.5	-6	-179.9	66.2	-92.3	0	0	0	114.7	P810	P810-Y812 HydrophobicContact CB-CD1 3.78Å; P810-Y812 HydrophobicContact CB-CE1 3.32Å; P810-Y812 HydrophobicContact CG-CE1 4.2Å; P810-Y812 PolarHBondContact O-N 2.82Å; P810-Y812 VanDerWaalsContact O-N 3.07Å
813	L	80.8	Confident	78.3	Confident	26 Å²	26	69.4 Å²	69.4	14%	0.136	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-108.5	4	173.6	-56.8	-176.3	0	0	0	113.1	I809 P810 P811 I849 L850	I809-L813 HydrophobicContact CG2-CB 4.09Å; P810-L813 PolarHBondContact O-N 2.68Å; P811-L813 PolarHBondContact O-N 3.02Å; L813-I849 WeakPolarHBondContact O-CA 3.5Å; L813-L850 PolarHBondContact O-N 3.49Å
814	Q	85.6	Confident	78.1	Confident	15 Å²	15	73.7 Å²	73.7	7%	0.07	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	110.4	-179.1	-59.5	175.5	23	0	0	111.6	Q800 I803 I809 P811 I816 I847	Q800-Q814 PolarHBondContact O-NE2 3.22Å; Q800-Q814 PolarHBondContact O-OE1 2.95Å; I803-Q814 HydrophobicContact CG2-CG 4.06Å; I803-Q814 VanDerWaalsContact CG2-OE1 3.3Å; I809-Q814 HydrophobicContact CB-CG 4.2Å; I809-Q814 HydrophobicContact CG2-CG 3.66Å; I809-Q814 PolarHBondContact O-NE2 2.86Å; P811-Q814 PolarHBondContact O-N 3.26Å; P811-Q814 VanDerWaalsContact O-N 3.15Å; Q814-I816 HydrophobicContact CB-CG1 4.43Å; Q814-I847 HydrophobicContact CB-CG2 4.41Å
815	C	86.4	Confident	78	Confident	5 Å²	5	73.6 Å²	73.6	3%	0.034	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	115.1	160.5	173.9	0	0	0	0	109	R817 E824 I847 E848 L850	C815-R817 PolarHBondContact SG-NH2 3.3Å; C815-R817 VanDerWaalsContact SG-NH2 3.36Å; C815-E824 PolarHBondContact SG-OE1 3.49Å; C815-I847 CarbonylContact O-C 3.55Å; C815-I847 WeakPolarHBondContact O-CA 3.3Å; C815-E848 HydrophobicContact CB-CB 3.97Å; C815-E848 WeakPolarHBondContact CB-O 3.48Å; C815-E848 PolarHBondContact N-O 2.84Å; C815-E848 PolarHBondContact O-N 3.35Å; C815-L850 HydrophobicContact CB-CD1 4.38Å; C815-L850 HydrophobicContact CB-CD2 4.02Å; C815-L850 HydrophobicContact CB-CG 4.17Å
816	I	89.2	Confident	77.7	Confident	3 Å²	3	71.5 Å²	71.5	2%	0.015	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.2	-173.1	-57.2	174.4	0	0	0	109.3	F796 Q800 I803 Q814 E824 L825 I845	F796-I816 HydrophobicContact CE2-CD1 4.35Å; F796-I816 HydrophobicContact CZ-CD1 4.39Å; Q800-I816 HydrophobicContact CG-CD1 4.48Å; I803-I816 HydrophobicContact CD1-CD1 3.55Å; I803-I816 HydrophobicContact CD1-CG1 4.08Å; Q814-I816 HydrophobicContact CB-CG1 4.43Å; I816-E824 WeakPolarHBondContact O-CA 3.34Å; I816-L825 HydrophobicContact CB-CB 4.42Å; I816-L825 HydrophobicContact CG2-CB 4.27Å; I816-L825 HydrophobicContact CG2-CD2 4.35Å; I816-L825 PolarHBondContact O-N 3.45Å; I816-I845 HydrophobicContact CG2-CG2 3.57Å
817	R	85.4	Confident	77.2	Confident	54 Å²	54	70.4 Å²	70.4	20%	0.204	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	140.6	177.5	-57.4	-164.5	-169.9	-64.5	-13.5	113	C815 P822 K823 E824 I845 T846 E848	C815-R817 PolarHBondContact SG-NH2 3.3Å; C815-R817 VanDerWaalsContact SG-NH2 3.36Å; R817-P822 HydrophobicContact CB-CB 4.2Å; R817-K823 CarbonylContact C-O 3.53Å; R817-K823 WeakPolarHBondContact CA-O 3.49Å; R817-E824 IonicContact CZ-OE2 3.82Å; R817-E824 IonicContact NH1-OE2 2.61Å; R817-E824 PolarHBondContact NH1-OE2 3.18Å; R817-E824 IonicContact NH2-OE2 3.81Å; R817-E824 PolarHBondContact NH2-OE2 3.05Å; R817-I845 CarbonylContact O-C 3.58Å; R817-I845 WeakPolarHBondContact O-CA 3.47Å; R817-I845 WeakPolarHBondContact O-CG2 3.26Å; R817-T846 PolarHBondContact N-O 3.05Å; R817-T846 PolarHBondContact O-N 2.73Å; R817-E848 WeakPolarHBondContact CD-OE1 3.42Å; R817-E848 IonicContact CZ-OE1 3.83Å; R817-E848 IonicContact CZ-OE2 3.98Å; R817-E848 VanDerWaalsContact CZ-OE2 3.31Å; R817-E848 IonicContact NE-OE1 2.65Å; R817-E848 PolarHBondContact NE-OE1 3.43Å; R817-E848 IonicContact NE-OE2 3.63Å; R817-E848 PolarHBondContact NE-OE2 3.17Å; R817-E848 VanDerWaalsContact NE-OE2 3.08Å; R817-E848 IonicContact NH2-OE1 3.67Å; R817-E848 IonicContact NH2-OE2 2.68Å; R817-E848 PolarHBondContact NH2-OE2 3.06Å
818	Y	82.6	Confident	76.9	Confident	66 Å²	66	71.9 Å²	71.9	26%	0.259	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	159.8	-178.7	78	-62.9	0	0	0	113	K823 L825 P838 L839	Y818-K823 WeakPolarHBondContact CD1-O 3.23Å; Y818-K823 PolarHBondContact N-O 2.91Å; Y818-K823 PolarHBondContact O-N 2.71Å; Y818-L825 HydrophobicContact CD1-CB 3.97Å; Y818-L825 HydrophobicContact CD1-CD1 4.36Å; Y818-L825 HydrophobicContact CE1-CB 4Å; Y818-L825 HydrophobicContact CE1-CD1 3.74Å; Y818-L825 HydrophobicContact CE1-CG 4.45Å; Y818-P838 HydrophobicContact CE2-CG 4.11Å; Y818-P838 WeakPolarHBondContact OH-CG 3.43Å; Y818-L839 HydrophobicContact CD2-CD2 3.71Å; Y818-L839 HydrophobicContact CE2-CD2 4.45Å; Y818-L839 HydrophobicContact CG-CD2 4.09Å
819	G	64.3	Low	76.4	Confident	51 Å²	51	73 Å²	73	53%	0.526	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-175.2	178.7	0	0	0	0	0	115.2	P822	G819-P822 WeakPolarHBondContact O-CA 3.44Å
820	F	47.5	Very low	75.2	Confident	204 Å²	204	77.5 Å²	77.5	90%	0.895	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.4	125.6	176.7	-169.5	-94.1	0	0	0	111.1
821	P	50.3	Low	74.4	Confident	91 Å²	91	78.3 Å²	78.3	59%	0.591	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	cis	-59	149.8	-11.8	28	-35.7	0	0	0	111.3	K823	P821-K823 PolarHBondContact O-N 2.87Å
822	P	68.6	Low	73.7	Confident	75 Å²	75	80.7 Å²	80.7	49%	0.487	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	129.3	-173.2	-24.2	34.7	0	0	0	112.9	R817 G819	R817-P822 HydrophobicContact CB-CB 4.2Å; G819-P822 WeakPolarHBondContact O-CA 3.44Å
823	K	74.6	Confident	73.4	Confident	142 Å²	142	77 Å²	77	62%	0.617	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	145.2	177.1	-67.9	179.4	-178.6	178.8	0	110.6	R817 Y818 P821	R817-K823 CarbonylContact C-O 3.53Å; R817-K823 WeakPolarHBondContact CA-O 3.49Å; Y818-K823 WeakPolarHBondContact CD1-O 3.23Å; Y818-K823 PolarHBondContact N-O 2.91Å; Y818-K823 PolarHBondContact O-N 2.71Å; P821-K823 PolarHBondContact O-N 2.87Å
824	E	82.8	Confident	72.8	Confident	90 Å²	90	85 Å²	85	42%	0.421	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	131.9	174	-154.3	153	161.9	0	0	110.9	C815 I816 R817 M826	C815-E824 PolarHBondContact SG-OE1 3.49Å; I816-E824 WeakPolarHBondContact O-CA 3.34Å; R817-E824 IonicContact CZ-OE2 3.82Å; R817-E824 IonicContact NH1-OE2 2.61Å; R817-E824 PolarHBondContact NH1-OE2 3.18Å; R817-E824 IonicContact NH2-OE2 3.81Å; R817-E824 PolarHBondContact NH2-OE2 3.05Å; E824-M826 HydrophobicContact CG-SD 4.26Å; E824-M826 PolarHBondContact O-N 3.19Å
825	L	82.8	Confident	72.2	Confident	19 Å²	19	90.2 Å²	90.2	10%	0.099	49%	0.486	C	S	.	.			trans	-87.7	98	169.1	-173.6	68.5	0	0	0	107.6	F796 L799 I816 Y818 V837 P838	F796-L825 HydrophobicContact CD2-CD2 3.86Å; F796-L825 HydrophobicContact CD2-CG 3.93Å; F796-L825 HydrophobicContact CE2-CB 4.39Å; F796-L825 HydrophobicContact CE2-CD2 3.97Å; F796-L825 HydrophobicContact CE2-CG 3.85Å; F796-L825 VanDerWaalsContact CE2-O 3.26Å; F796-L825 WeakPolarHBondContact CE2-O 3.41Å; L799-L825 HydrophobicContact CD2-CD2 4.06Å; I816-L825 HydrophobicContact CB-CB 4.42Å; I816-L825 HydrophobicContact CG2-CB 4.27Å; I816-L825 HydrophobicContact CG2-CD2 4.35Å; I816-L825 PolarHBondContact O-N 3.45Å; Y818-L825 HydrophobicContact CD1-CB 3.97Å; Y818-L825 HydrophobicContact CD1-CD1 4.36Å; Y818-L825 HydrophobicContact CE1-CB 4Å; Y818-L825 HydrophobicContact CE1-CD1 3.74Å; Y818-L825 HydrophobicContact CE1-CG 4.45Å; L825-V837 HydrophobicContact CD2-CG1 4.2Å; L825-P838 HydrophobicContact CD1-CG 3.93Å
826	M	77.3	Confident	71.9	Confident	130 Å²	130	93.3 Å²	93.3	64%	0.64	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-69.3	149.4	177.6	-63.3	-62	-69.5	0	0	111.2	E824	E824-M826 HydrophobicContact CG-SD 4.26Å; E824-M826 PolarHBondContact O-N 3.19Å
827	P	75.8	Confident	71.5	Confident	72 Å²	72	93.7 Å²	93.7	47%	0.468	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-60.8	147.7	169.6	26.2	-34.4	0	0	0	111.3	F796	F796-P827 HydrophobicContact CD1-CB 4.07Å; F796-P827 HydrophobicContact CE1-CB 3.72Å; F796-P827 HydrophobicContact CZ-CB 4.17Å
828	P	76	Confident	71.1	Confident	42 Å²	42	95 Å²	95	27%	0.273	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-66.1	150.1	-177.9	27	-34.5	0	0	0	112.2	F796 F797 M832 E833	F796-P828 HydrophobicContact CB-CG 4.2Å; F797-P828 HydrophobicContact CE2-CG 4.13Å; P828-M832 HydrophobicContact CB-CB 4.41Å; P828-E833 HydrophobicContact CG-CG 4.44Å
829	Q	72.6	Confident	71	Confident	166 Å²	166	92 Å²	92	78%	0.776	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-70.6	151.9	173.5	-65.4	-179.1	-5.6	0	0	111	G831 M832	Q829-G831 PolarHBondContact O-N 2.89Å; Q829-M832 PolarHBondContact O-N 3Å
830	A	58	Low	71.8	Confident	99 Å²	99	96.3 Å²	96.3	82%	0.818	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	124.1	-177.5	0	0	0	0	0	111.7	E833	A830-E833 WeakPolarHBondContact CA-OE1 3.34Å
831	G	63.8	Low	73.2	Confident	66 Å²	66	92.3 Å²	92.3	68%	0.68	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.8	-19	-174.3	0	0	0	0	0	116	Q829 E833	Q829-G831 PolarHBondContact O-N 2.89Å; G831-E833 PolarHBondContact N-OE1 3.15Å
832	M	64.9	Low	74.3	Confident	104 Å²	104	90.4 Å²	90.4	51%	0.512	50%	0.499	S	S	.	.			trans	-97.8	8.4	174.7	-62	-59	-171.9	0	0	113.5	P828 Q829 K834 E835	P828-M832 HydrophobicContact CB-CB 4.41Å; Q829-M832 PolarHBondContact O-N 3Å; M832-K834 PolarHBondContact O-N 3.36Å; M832-E835 HydrophobicContact CB-CG 4.49Å; M832-E835 PolarHBondContact O-N 2.73Å
833	E	71.3	Confident	74.8	Confident	96 Å²	96	89.2 Å²	89.2	45%	0.449	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.1	-175.1	-64.6	146	-131.3	0	0	115.1	F797 P828 A830 G831	F797-E833 HydrophobicContact CE2-CG 4.29Å; P828-E833 HydrophobicContact CG-CG 4.44Å; A830-E833 WeakPolarHBondContact CA-OE1 3.34Å; G831-E833 PolarHBondContact N-OE1 3.15Å
834	K	69.8	Low	75.2	Confident	194 Å²	194	91.3 Å²	91.3	84%	0.843	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-0.9	179.9	-64.4	179.2	-178.6	174.2	0	113.7	M832	M832-K834 PolarHBondContact O-N 3.36Å
835	E	72.8	Confident	75.3	Confident	126 Å²	126	87.1 Å²	87.1	59%	0.589	47%	0.473	S	S	*	.	S	Bend	trans	-74.5	140	175.6	-64.4	-156.2	131.8	0	0	111.5	M832	M832-E835 HydrophobicContact CB-CG 4.49Å; M832-E835 PolarHBondContact O-N 2.73Å
836	P	78.9	Confident	75.5	Confident	70 Å²	70	89 Å²	89	46%	0.455	49%	0.485	S	S	.	.	B	Isolated β-bridge	trans	-76.6	145.9	179.5	32	-35.2	0	0	0	111.5	T794	T794-P836 CarbonylContact O-C 3.47Å; T794-P836 VanDerWaalsContact O-CA 3.24Å; T794-P836 WeakPolarHBondContact O-CA 3.39Å
837	V	80.8	Confident	76	Confident	11 Å²	11	82.8 Å²	82.8	7%	0.067	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-60.4	140.5	-179.8	-67.7	0	0	0	0	112.2	T794 F796 L799 L825 L839	T794-V837 WeakPolarHBondContact O-CG2 3.36Å; T794-V837 PolarHBondContact O-N 3.16Å; F796-V837 HydrophobicContact CB-CG1 4.21Å; L799-V837 HydrophobicContact CB-CG1 4.45Å; L799-V837 HydrophobicContact CD2-CB 4.49Å; L799-V837 HydrophobicContact CD2-CG1 4.09Å; L799-V837 HydrophobicContact CD2-CG2 4.33Å; L825-V837 HydrophobicContact CD2-CG1 4.2Å; V837-L839 HydrophobicContact CB-CD1 4.14Å; V837-L839 HydrophobicContact CB-CG 4.3Å; V837-L839 HydrophobicContact CG2-CB 4.35Å; V837-L839 HydrophobicContact CG2-CD1 3.67Å; V837-L839 HydrophobicContact CG2-CG 4.1Å; V837-L839 PolarHBondContact O-N 3.08Å
838	P	78.8	Confident	76.5	Confident	80 Å²	80	82.4 Å²	82.4	52%	0.519	45%	0.446	S	S	.	.	S	Bend	trans	-79.1	46.6	-172.7	35	-39	0	0	0	113	Y818 L825	Y818-P838 HydrophobicContact CE2-CG 4.11Å; Y818-P838 WeakPolarHBondContact OH-CG 3.43Å; L825-P838 HydrophobicContact CD1-CG 3.93Å
839	L	79.8	Confident	77	Confident	3 Å²	3	82.5 Å²	82.5	2%	0.016	44%	0.444	C	S	.	.			trans	-107.6	149	-177.2	-61.9	170.2	0	0	0	111.3	K774 L790 L799 Y818 V837 D843 I845	K774-L839 WeakPolarHBondContact CD-O 3.49Å; K774-L839 VanDerWaalsContact CE-O 3.3Å; K774-L839 WeakPolarHBondContact CE-O 3.42Å; K774-L839 PolarHBondContact NZ-O 2.79Å; L790-L839 HydrophobicContact CD1-CD1 4.33Å; L799-L839 HydrophobicContact CD2-CD1 3.79Å; Y818-L839 HydrophobicContact CD2-CD2 3.71Å; Y818-L839 HydrophobicContact CE2-CD2 4.45Å; Y818-L839 HydrophobicContact CG-CD2 4.09Å; V837-L839 HydrophobicContact CB-CD1 4.14Å; V837-L839 HydrophobicContact CB-CG 4.3Å; V837-L839 HydrophobicContact CG2-CB 4.35Å; V837-L839 HydrophobicContact CG2-CD1 3.67Å; V837-L839 HydrophobicContact CG2-CG 4.1Å; V837-L839 PolarHBondContact O-N 3.08Å; L839-D843 WeakPolarHBondContact CA-OD2 3.37Å; L839-I845 HydrophobicContact CD1-CD1 3.43Å; L839-I845 VanDerWaalsContact CD1-CD1 3.43Å; L839-I845 HydrophobicContact CD2-CD1 3.73Å; L839-I845 HydrophobicContact CD2-CG1 4.22Å; L839-I845 HydrophobicContact CG-CD1 4.23Å
840	Q	80.7	Confident	77.3	Confident	142 Å²	142	78.6 Å²	78.6	66%	0.664	43%	0.428	S	S	*	.			trans	-114	172.2	177.6	-55.3	-163.6	21.7	0	0	112	G842 D843	Q840-G842 PolarHBondContact O-N 3.36Å; Q840-D843 PolarHBondContact N-OD2 2.69Å; Q840-D843 PolarHBondContact O-N 2.7Å
841	H	76.6	Confident	77.8	Confident	121 Å²	121	83.6 Å²	83.6	56%	0.56	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	123.9	177	-170.7	119.9	0	0	0	109.5	K775	K775-H841 PolarHBondContact N-ND1 2.91Å
842	G	73	Confident	76.7	Confident	51 Å²	51	84.6 Å²	84.6	53%	0.526	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.3	-5.2	-175.6	0	0	0	0	0	114.6	K775 Q840	K775-G842 PolarHBondContact O-N 2.76Å; Q840-G842 PolarHBondContact O-N 3.36Å
843	D	80.8	Confident	75.3	Confident	49 Å²	49	87 Å²	87	26%	0.262	44%	0.436	S	S	.	.			trans	-60.7	143	179.1	-78.2	-2.9	0	0	0	112	I776 R777 L839 Q840	I776-D843 WeakPolarHBondContact CA-O 3.5Å; I776-D843 HydrophobicContact CG2-CB 4.15Å; R777-D843 PolarHBondContact N-O 3.02Å; L839-D843 WeakPolarHBondContact CA-OD2 3.37Å; Q840-D843 PolarHBondContact N-OD2 2.69Å; Q840-D843 PolarHBondContact O-N 2.7Å
844	R	81.6	Confident	73.6	Confident	187 Å²	187	87.5 Å²	87.5	71%	0.706	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.3	172.1	-59.9	-173.5	-177.1	-169.6	0.9	109.4	R777	R777-R844 HydrophobicContact CB-CG 4.4Å; R777-R844 WeakPolarHBondContact O-CA 3.48Å
845	I	86.1	Confident	71.8	Confident	1 Å²	1	84.7 Å²	84.7	1%	0.005	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.4	-178.9	-56.3	-174.1	0	0	0	108.3	I776 R777 I778 T779 I816 R817 L839 I847	I776-I845 HydrophobicContact CD1-CD1 3.54Å; I776-I845 HydrophobicContact CD1-CG1 4.48Å; R777-I845 PolarHBondContact O-N 2.79Å; I778-I845 WeakPolarHBondContact CA-O 3.43Å; T779-I845 PolarHBondContact N-O 2.89Å; I816-I845 HydrophobicContact CG2-CG2 3.57Å; R817-I845 CarbonylContact O-C 3.58Å; R817-I845 WeakPolarHBondContact O-CA 3.47Å; R817-I845 WeakPolarHBondContact O-CG2 3.26Å; L839-I845 HydrophobicContact CD1-CD1 3.43Å; L839-I845 VanDerWaalsContact CD1-CD1 3.43Å; L839-I845 HydrophobicContact CD2-CD1 3.73Å; L839-I845 HydrophobicContact CD2-CG1 4.22Å; L839-I845 HydrophobicContact CG-CD1 4.23Å; I845-I847 HydrophobicContact CG2-CG1 4.27Å
846	T	86	Confident	69.7	Low	59 Å²	59	82 Å²	82	36%	0.362	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	135.8	172.9	-54.1	0	0	0	0	109.1	T779 R817	T779-T846 CarbonylContact O-C 3.35Å; T779-T846 VanDerWaalsContact O-CA 3.24Å; T779-T846 WeakPolarHBondContact O-CA 3.47Å; R817-T846 PolarHBondContact N-O 3.05Å; R817-T846 PolarHBondContact O-N 2.73Å
847	I	88	Confident	67.2	Low	0 Å²	0	82.9 Å²	82.9	0%	0	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	115	178.1	-57.3	-170.7	0	0	0	109.5	I778 T779 T780 N781 I803 Q814 C815 I845 I849	I778-I847 HydrophobicContact CG2-CD1 3.33Å; I778-I847 HydrophobicContact CG2-CG1 3.8Å; T779-I847 PolarHBondContact O-N 3.4Å; T780-I847 CarbonylContact C-O 3.44Å; T780-I847 WeakPolarHBondContact CA-O 3.34Å; T780-I847 HydrophobicContact CG2-CB 4.2Å; N781-I847 PolarHBondContact N-O 3.1Å; N781-I847 PolarHBondContact OD1-O 2.89Å; I803-I847 HydrophobicContact CB-CD1 4.18Å; I803-I847 HydrophobicContact CD1-CD1 3.48Å; I803-I847 VanDerWaalsContact CD1-CD1 3.48Å; I803-I847 HydrophobicContact CG1-CD1 3.63Å; I803-I847 HydrophobicContact CG2-CD1 3.43Å; I803-I847 VanDerWaalsContact CG2-CD1 3.43Å; Q814-I847 HydrophobicContact CB-CG2 4.41Å; C815-I847 CarbonylContact O-C 3.55Å; C815-I847 WeakPolarHBondContact O-CA 3.3Å; I845-I847 HydrophobicContact CG2-CG1 4.27Å; I847-I849 PolarHBondContact O-N 3.13Å
848	E	85.6	Confident	64.7	Low	63 Å²	63	91.4 Å²	91.4	29%	0.294	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	109.2	171.1	-79.8	161	-149	0	0	108.6	N781 C815 R817 L850	N781-E848 HydrophobicContact CB-CG 4.36Å; C815-E848 HydrophobicContact CB-CB 3.97Å; C815-E848 WeakPolarHBondContact CB-O 3.48Å; C815-E848 PolarHBondContact N-O 2.84Å; C815-E848 PolarHBondContact O-N 3.35Å; R817-E848 WeakPolarHBondContact CD-OE1 3.42Å; R817-E848 IonicContact CZ-OE1 3.83Å; R817-E848 IonicContact CZ-OE2 3.98Å; R817-E848 VanDerWaalsContact CZ-OE2 3.31Å; R817-E848 IonicContact NE-OE1 2.65Å; R817-E848 PolarHBondContact NE-OE1 3.43Å; R817-E848 IonicContact NE-OE2 3.63Å; R817-E848 PolarHBondContact NE-OE2 3.17Å; R817-E848 VanDerWaalsContact NE-OE2 3.08Å; R817-E848 IonicContact NH2-OE1 3.67Å; R817-E848 IonicContact NH2-OE2 2.68Å; R817-E848 PolarHBondContact NH2-OE2 3.06Å; E848-L850 PolarHBondContact O-N 3Å
849	I	87.3	Confident	62.2	Low	44 Å²	44	93 Å²	93	23%	0.226	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	110	170.2	-57.6	169.9	0	0	0	107.3	N781 D782 I809 L813 I847	N781-I849 PolarHBondContact ND2-N 3.1Å; N781-I849 WeakPolarHBondContact OD1-CB 3.43Å; N781-I849 WeakPolarHBondContact OD1-CG1 3.47Å; N781-I849 PolarHBondContact OD1-N 3.36Å; D782-I849 HydrophobicContact CB-CD1 4.48Å; D782-I849 WeakPolarHBondContact OD2-CD1 3.39Å; I809-I849 HydrophobicContact CD1-CD1 3.78Å; I809-I849 HydrophobicContact CD1-CG1 3.7Å; I809-I849 HydrophobicContact CG1-CD1 4.12Å; I809-I849 HydrophobicContact CG1-CG1 4.19Å; I809-I849 HydrophobicContact CG2-CG1 4.39Å; I809-I849 HydrophobicContact CG2-CG2 4.41Å; L813-I849 WeakPolarHBondContact O-CA 3.5Å; I847-I849 PolarHBondContact O-N 3.13Å
850	L	79.7	Confident	59.6	Low	85 Å²	85	97.1 Å²	97.1	45%	0.445	56%	0.561	S	S	.	*			trans	-71.4	139.1	173.8	-56.5	177.5	0	0	0	109.1	L813 C815 E848	L813-L850 PolarHBondContact O-N 3.49Å; C815-L850 HydrophobicContact CB-CD1 4.38Å; C815-L850 HydrophobicContact CB-CD2 4.02Å; C815-L850 HydrophobicContact CB-CG 4.17Å; E848-L850 PolarHBondContact O-N 3Å
851	K	67.2	Low	56.9	Low	203 Å²	203	94.8 Å²	94.8	88%	0.883	57%	0.566	S	S	*	*			trans	-74.5	133.1	172.5	-68.7	-177.2	178.6	179.6	0	109.1	K853	K851-K853 PolarHBondContact O-N 3.4Å; K851-K853 VanDerWaalsContact O-N 3.09Å
852	S	40.9	Very low	54.6	Low	87 Å²	87	93.1 Å²	93.1	61%	0.608	57%	0.573	S	S	*	*			trans	-61.5	109.8	180	54.4	0	0	0	0	111.4	A854	S852-A854 PolarHBondContact O-N 2.66Å
853	K	36.4	Very low	52.4	Low	155 Å²	155	99.1 Å²	99.1	67%	0.674	59%	0.587	S	S	*	*			trans	-76.8	104.1	174.3	-149.5	-171.4	-163.7	-143.2	0	109.1	K851 E855	K851-K853 PolarHBondContact O-N 3.4Å; K851-K853 VanDerWaalsContact O-N 3.09Å; K853-E855 VanDerWaalsContact C-N 3.26Å; K853-E855 HydrophobicContact CD-CG 4.47Å; K853-E855 VanDerWaalsContact CE-CD 3.42Å; K853-E855 WeakPolarHBondContact CE-OE1 3.35Å; K853-E855 WeakPolarHBondContact CE-OE2 3.44Å; K853-E855 HydrophobicContact CG-CG 4.31Å; K853-E855 IonicContact NZ-OE1 3.27Å; K853-E855 PolarHBondContact NZ-OE1 2.99Å; K853-E855 IonicContact NZ-OE2 2.7Å; K853-E855 PolarHBondContact NZ-OE2 3.35Å; K853-E855 PolarHBondContact O-N 3.23Å
854	A	35.3	Very low	49.7	Very low	106 Å²	106	102.4 Å²	102.4	88%	0.876	61%	0.614	S	S	*	*			trans	-79.8	72.5	177.5	0	0	0	0	0	111.1	S852	S852-A854 PolarHBondContact O-N 2.66Å
855	E	30.7	Very low	46.9	Very low	135 Å²	135	97.3 Å²	97.3	63%	0.631	61%	0.612	S	S	*	*			trans	-135.2	137.6	174	-69	172.6	-165.3	0	0	108.5	K853	K853-E855 VanDerWaalsContact C-N 3.26Å; K853-E855 HydrophobicContact CD-CG 4.47Å; K853-E855 VanDerWaalsContact CE-CD 3.42Å; K853-E855 WeakPolarHBondContact CE-OE1 3.35Å; K853-E855 WeakPolarHBondContact CE-OE2 3.44Å; K853-E855 HydrophobicContact CG-CG 4.31Å; K853-E855 IonicContact NZ-OE1 3.27Å; K853-E855 PolarHBondContact NZ-OE1 2.99Å; K853-E855 IonicContact NZ-OE2 2.7Å; K853-E855 PolarHBondContact NZ-OE2 3.35Å; K853-E855 PolarHBondContact O-N 3.23Å
856	G	29	Very low	44.1	Very low	70 Å²	70	105.7 Å²	105.7	72%	0.722	65%	0.651	S	S	*	*			cis	-179.3	134.1	-8.1	0	0	0	0	0	109.4	Q858	G856-Q858 PolarHBondContact O-N 3.13Å
857	G	27	Very low	41.1	Very low	89 Å²	89	108.4 Å²	108.4	92%	0.918	67%	0.667	S	S	*	*			trans	-76.6	116.9	-177.7	0	0	0	0	0	112.3
858	Q	28.3	Very low	38.3	Very low	190 Å²	190	114.4 Å²	114.4	89%	0.888	70%	0.704	S	S	*	*			trans	-80.3	128.7	175.3	-64.1	180	-5.2	0	0	111.4	G856	G856-Q858 PolarHBondContact O-N 3.13Å
859	S	25.9	Very low	35.4	Very low	112 Å²	112	119 Å²	119	78%	0.783	72%	0.723	S	S	*	*				155.4	141.2	103.7	-163.7	0	0	0	0	113.9
860	A	25	Very low	32.6	Very low	90 Å²	90	123.4 Å²	123.4	74%	0.744	74%	0.742	S	S	*	*			trans	57	130.9	152.5	0	0	0	0	0	122.9
861	A	25	Very low	30	Very low	93 Å²	93	126.7 Å²	126.7	77%	0.769	76%	0.755	S	S	*	*			trans	70.2	88.6	139.9	0	0	0	0	0	121.6
862	A	28.6	Very low	28.1	Very low	86 Å²	86	123.8 Å²	123.8	71%	0.711	75%	0.749	S	S	*	*				69	161.5	125.3	0	0	0	0	0	122.3
863	H	25.1	Very low	27.5	Very low	177 Å²	177	128 Å²	128	82%	0.819	76%	0.763	S	S	*	*			trans	77.4	85.1	167.3	-55.3	-72.8	0	0	0	120.7
864	S	24.6	Very low	27.2	Very low	119 Å²	119	124.5 Å²	124.5	83%	0.832	76%	0.763	S	S	*	*				70.7	158.5	115	-149.2	0	0	0	0	123
865	A	24.2	Very low	27	Very low	79 Å²	79	125.9 Å²	125.9	65%	0.653	76%	0.761	S	S	*	*			trans	86.7	107.1	155	0	0	0	0	0	121.9
866	H	25.3	Very low	27	Very low	178 Å²	178	126.5 Å²	126.5	82%	0.824	77%	0.774	S	S	*	*			trans	64.4	100.4	130.3	-73.4	-66.6	0	0	0	124.9
867	T	24.6	Very low	27.5	Very low	116 Å²	116	126.8 Å²	126.8	71%	0.712	78%	0.776	S	S	*	*				46.4	147.2	111.5	-18.8	0	0	0	0	123.3
868	V	27.8	Very low	28.1	Very low	126 Å²	126	132.6 Å²	132.6	76%	0.764	78%	0.776	S	S	*	*			trans	81.7	137	158.6	179.7	0	0	0	0	116.5
869	K	25.7	Very low	28.5	Very low	160 Å²	160	131 Å²	131	70%	0.696	77%	0.773	S	S	*	*			cis	-171.8	157.4	-20.7	-109	-175.1	154.9	-143.8	0	109.2
870	Q	28.1	Very low	29.4	Very low	136 Å²	136	128.4 Å²	128.4	64%	0.636	76%	0.755	S	S	*	*			trans	59.2	161.3	154.9	-83.1	161.3	-105.7	0	0	117
871	E	25.1	Very low	30.7	Very low	153 Å²	153	128 Å²	128	72%	0.715	75%	0.747	S	S	*	*			cis	-141.1	-178.6	11.2	-149.2	145.8	-114.9	0	0	112.8
872	D	27.9	Very low	31.8	Very low	143 Å²	143	130 Å²	130	77%	0.765	74%	0.738	S	S	*	*			trans	-61.7	155.3	-162.4	-62.9	-56.9	0	0	0	118.6
873	I	27.7	Very low	32.9	Very low	174 Å²	174	131 Å²	131	89%	0.892	73%	0.728	S	S	*	*				-150.4	134	113.7	-98.3	155.9	0	0	0	109
874	A	29.9	Very low	34.3	Very low	83 Å²	83	128.2 Å²	128.2	69%	0.686	72%	0.719	S	S	*	*			trans	-96.7	-179.5	-179.7	0	0	0	0	0	113.1
875	V	31.9	Very low	35.6	Very low	135 Å²	135	125.8 Å²	125.8	82%	0.818	69%	0.694	S	S	*	*			trans	103.3	80.9	173.3	-172.3	0	0	0	0	115.8
876	T	29.7	Very low	37.1	Very low	148 Å²	148	125.4 Å²	125.4	91%	0.908	68%	0.679	S	S	*	*				-173.1	90.6	129.7	15.7	0	0	0	0	110.1
877	G	40.1	Very low	38.8	Very low	75 Å²	75	121 Å²	121	77%	0.773	66%	0.659	S	S	*	*			trans	-156.6	82.3	-177.5	0	0	0	0	0	113.1
878	K	40.1	Very low	40.6	Very low	211 Å²	211	116.2 Å²	116.2	92%	0.917	63%	0.631	S	S	*	*			trans	-168.4	77.1	170.9	-108.8	164.1	-173.5	176.5	0	110.8
879	L	35.2	Very low	42.2	Very low	158 Å²	158	114.3 Å²	114.3	83%	0.827	61%	0.613	S	S	*	*			trans	-94.9	153.2	159.3	-76.1	171.2	0	0	0	109.2
880	S	46.2	Very low	44	Very low	56 Å²	56	112 Å²	112	39%	0.392	60%	0.603	S	S	.	*			trans	-83.8	133.7	-166.7	-171.8	0	0	0	0	113.1	K882 E883 L884	S880-K882 PolarHBondContact O-N 2.92Å; S880-K882 PolarHBondContact OG-N 3.47Å; S880-E883 WeakPolarHBondContact CA-OE2 3.36Å; S880-E883 WeakPolarHBondContact CB-OE2 3.26Å; S880-E883 PolarHBondContact N-OE2 3.47Å; S880-E883 PolarHBondContact O-N 3.36Å; S880-E883 VanDerWaalsContact O-N 3.08Å; S880-L884 PolarHBondContact O-N 3Å
881	S	51.2	Low	45.9	Very low	82 Å²	82	108.9 Å²	108.9	57%	0.573	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-17.4	169.5	-172.8	0	0	0	0	113	Q885 K929	S881-Q885 PolarHBondContact O-N 2.96Å; S881-K929 PolarHBondContact O-NZ 2.61Å; S881-K929 WeakPolarHBondContact OG-CE 3.41Å
882	K	48.5	Very low	48.2	Very low	135 Å²	135	102 Å²	102	59%	0.587	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-40.5	174.9	-163.3	177.8	-177.7	-90.8	0	113	S880 L884 Q885 E886	S880-K882 PolarHBondContact O-N 2.92Å; S880-K882 PolarHBondContact OG-N 3.47Å; K882-L884 VanDerWaalsContact C-N 3.33Å; K882-L884 PolarHBondContact O-N 2.84Å; K882-Q885 WeakPolarHBondContact O-CA 3.27Å; K882-Q885 VanDerWaalsContact O-CB 3.26Å; K882-Q885 WeakPolarHBondContact O-CB 3.16Å; K882-Q885 PolarHBondContact O-N 2.85Å; K882-E886 IonicContact NZ-OE1 3.44Å; K882-E886 PolarHBondContact NZ-OE1 3.27Å; K882-E886 PolarHBondContact O-N 3.02Å
883	E	51.6	Low	49.7	Very low	108 Å²	108	100.5 Å²	100.5	51%	0.505	54%	0.541	S	S	.	.	H	α-helix	trans	-64.7	-41.4	180	-66.2	163.2	132.8	0	0	110.7	S880 Q885 E886 Q887	S880-E883 WeakPolarHBondContact CA-OE2 3.36Å; S880-E883 WeakPolarHBondContact CB-OE2 3.26Å; S880-E883 PolarHBondContact N-OE2 3.47Å; S880-E883 PolarHBondContact O-N 3.36Å; S880-E883 VanDerWaalsContact O-N 3.08Å; E883-Q885 VanDerWaalsContact C-N 3.26Å; E883-Q885 PolarHBondContact O-N 2.7Å; E883-E886 PolarHBondContact O-N 3.02Å; E883-Q887 WeakPolarHBondContact O-CB 3.36Å; E883-Q887 PolarHBondContact O-N 2.81Å
884	L	53.9	Low	51.6	Low	118 Å²	118	95.2 Å²	95.2	62%	0.618	52%	0.52	S	S	*	.	H	α-helix	trans	-68.3	-21.9	173.1	-64.4	174.3	0	0	0	113.4	S880 K882 A888	S880-L884 PolarHBondContact O-N 3Å; K882-L884 VanDerWaalsContact C-N 3.33Å; K882-L884 PolarHBondContact O-N 2.84Å; L884-A888 WeakPolarHBondContact O-CB 3.4Å; L884-A888 PolarHBondContact O-N 3Å
885	Q	53.7	Low	53.5	Low	68 Å²	68	91.4 Å²	91.4	32%	0.318	49%	0.488	S	S	.	.	H	α-helix	trans	-72.4	-52.8	170.7	-171.5	62.1	28.6	0	0	110.3	S881 K882 E883 Q887 A888 E889	S881-Q885 PolarHBondContact O-N 2.96Å; K882-Q885 WeakPolarHBondContact O-CA 3.27Å; K882-Q885 VanDerWaalsContact O-CB 3.26Å; K882-Q885 WeakPolarHBondContact O-CB 3.16Å; K882-Q885 PolarHBondContact O-N 2.85Å; E883-Q885 VanDerWaalsContact C-N 3.26Å; E883-Q885 PolarHBondContact O-N 2.7Å; Q885-Q887 PolarHBondContact O-N 2.86Å; Q885-A888 PolarHBondContact O-N 2.88Å; Q885-E889 VanDerWaalsContact CG-OE1 3.31Å; Q885-E889 WeakPolarHBondContact CG-OE1 3.25Å; Q885-E889 PolarHBondContact NE2-OE1 2.92Å; Q885-E889 WeakPolarHBondContact O-CB 3.27Å; Q885-E889 WeakPolarHBondContact O-CG 3.3Å; Q885-E889 PolarHBondContact O-N 2.79Å
886	E	55.3	Low	55	Low	70 Å²	70	85.7 Å²	85.7	33%	0.327	45%	0.454	S	S	.	.	H	α-helix	trans	-61.7	-30	-179.8	-66.4	172.9	-160	0	0	111.5	K882 E883 K890	K882-E886 IonicContact NZ-OE1 3.44Å; K882-E886 PolarHBondContact NZ-OE1 3.27Å; K882-E886 PolarHBondContact O-N 3.02Å; E883-E886 PolarHBondContact O-N 3.02Å; E886-K890 WeakPolarHBondContact O-CB 3.34Å; E886-K890 WeakPolarHBondContact O-CD 3.19Å; E886-K890 WeakPolarHBondContact O-CE 3.38Å; E886-K890 WeakPolarHBondContact O-CG 3.24Å; E886-K890 PolarHBondContact O-N 3.07Å
887	Q	60.6	Low	56.1	Low	86 Å²	86	80.7 Å²	80.7	40%	0.402	42%	0.421	S	S	.	.	H	α-helix	trans	-71.2	-50.2	172.9	-175.4	58.8	23.8	0	0	112.7	E883 Q885 E889 K890 E891	E883-Q887 WeakPolarHBondContact O-CB 3.36Å; E883-Q887 PolarHBondContact O-N 2.81Å; Q885-Q887 PolarHBondContact O-N 2.86Å; Q887-E889 PolarHBondContact O-N 2.82Å; Q887-K890 PolarHBondContact O-N 3.15Å; Q887-K890 VanDerWaalsContact O-N 3.15Å; Q887-E891 WeakPolarHBondContact CG-OE1 3.47Å; Q887-E891 PolarHBondContact NE2-OE1 2.91Å; Q887-E891 WeakPolarHBondContact O-CG 3.5Å; Q887-E891 PolarHBondContact O-N 2.98Å
888	A	63.2	Low	57.1	Low	15 Å²	15	81 Å²	81	12%	0.124	41%	0.405	C	S	.	.	H	α-helix	trans	-62	-33	177.3	0	0	0	0	0	112.2	L884 Q885 M892 V922	L884-A888 WeakPolarHBondContact O-CB 3.4Å; L884-A888 PolarHBondContact O-N 3Å; Q885-A888 PolarHBondContact O-N 2.88Å; A888-M892 WeakPolarHBondContact O-CB 3.24Å; A888-M892 PolarHBondContact O-N 2.79Å; A888-V922 HydrophobicContact CB-CG2 4.27Å; A888-V922 WeakPolarHBondContact O-CG2 3.33Å
889	E	61.6	Low	58.1	Low	86 Å²	86	71 Å²	71	40%	0.402	36%	0.362	S	S	.	.	H	α-helix	trans	-68	-46.7	172.4	-74.4	170.1	-169.9	0	0	111.6	Q885 Q887 E891 M892 Y893	Q885-E889 VanDerWaalsContact CG-OE1 3.31Å; Q885-E889 WeakPolarHBondContact CG-OE1 3.25Å; Q885-E889 PolarHBondContact NE2-OE1 2.92Å; Q885-E889 WeakPolarHBondContact O-CB 3.27Å; Q885-E889 WeakPolarHBondContact O-CG 3.3Å; Q885-E889 PolarHBondContact O-N 2.79Å; Q887-E889 PolarHBondContact O-N 2.82Å; E889-E891 VanDerWaalsContact C-N 3.28Å; E889-E891 PolarHBondContact O-N 3.28Å; E889-M892 PolarHBondContact O-N 3.43Å; E889-M892 VanDerWaalsContact O-N 3.13Å; E889-Y893 HydrophobicContact CB-CD2 4.47Å; E889-Y893 HydrophobicContact CB-CE2 4.29Å; E889-Y893 WeakPolarHBondContact O-CD2 3.11Å; E889-Y893 PolarHBondContact O-N 2.63Å
890	K	62.8	Low	59.1	Low	111 Å²	111	67.3 Å²	67.3	48%	0.483	35%	0.345	S	S	.	.	H	α-helix	trans	-57.4	-39.7	173.8	-73.4	158.7	-163.2	162	0	112.4	E886 Q887 S894	E886-K890 WeakPolarHBondContact O-CB 3.34Å; E886-K890 WeakPolarHBondContact O-CD 3.19Å; E886-K890 WeakPolarHBondContact O-CE 3.38Å; E886-K890 WeakPolarHBondContact O-CG 3.24Å; E886-K890 PolarHBondContact O-N 3.07Å; Q887-K890 PolarHBondContact O-N 3.15Å; Q887-K890 VanDerWaalsContact O-N 3.15Å; K890-S894 WeakPolarHBondContact O-CB 3.12Å; K890-S894 PolarHBondContact O-N 3.37Å; K890-S894 PolarHBondContact O-OG 2.86Å
891	E	68.3	Low	59.3	Low	72 Å²	72	68.5 Å²	68.5	34%	0.336	35%	0.347	S	S	.	.	H	α-helix	trans	-67.3	-40.1	175.6	-73.2	168.7	-163.9	0	0	112	Q887 E889 S894 L895 V922	Q887-E891 WeakPolarHBondContact CG-OE1 3.47Å; Q887-E891 PolarHBondContact NE2-OE1 2.91Å; Q887-E891 WeakPolarHBondContact O-CG 3.5Å; Q887-E891 PolarHBondContact O-N 2.98Å; E889-E891 VanDerWaalsContact C-N 3.28Å; E889-E891 PolarHBondContact O-N 3.28Å; E891-S894 PolarHBondContact O-N 2.59Å; E891-L895 WeakPolarHBondContact O-CB 3.26Å; E891-L895 PolarHBondContact O-N 2.83Å; E891-V922 HydrophobicContact CB-CB 4.35Å; E891-V922 HydrophobicContact CB-CG2 3.94Å
892	M	72.6	Confident	59.7	Low	9 Å²	9	68 Å²	68	4%	0.044	34%	0.336	C	S	.	.	H	α-helix	trans	-65.7	-44	173.9	-169.3	59.4	59.3	0	0	112.4	A888 E889 S894 L895 C896 V922 F923 I926 H943	A888-M892 WeakPolarHBondContact O-CB 3.24Å; A888-M892 PolarHBondContact O-N 2.79Å; E889-M892 PolarHBondContact O-N 3.43Å; E889-M892 VanDerWaalsContact O-N 3.13Å; M892-S894 VanDerWaalsContact C-N 3.31Å; M892-S894 PolarHBondContact O-N 2.79Å; M892-L895 WeakPolarHBondContact O-CB 3.13Å; M892-L895 PolarHBondContact O-N 2.79Å; M892-L895 HydrophobicContact SD-CD2 4.18Å; M892-C896 PolarHBondContact O-N 3.4Å; M892-C896 PolarHBondContact O-SG 3.32Å; M892-C896 VanDerWaalsContact O-SG 3.34Å; M892-V922 HydrophobicContact CE-CG1 3.81Å; M892-V922 HydrophobicContact CE-CG2 4Å; M892-F923 HydrophobicContact CE-CD1 4.01Å; M892-F923 HydrophobicContact CE-CE1 3.59Å; M892-F923 HydrophobicContact CE-CZ 3.96Å; M892-F923 HydrophobicContact SD-CE1 4.18Å; M892-F923 HydrophobicContact SD-CZ 4.23Å; M892-I926 HydrophobicContact CE-CD1 3.48Å; M892-I926 VanDerWaalsContact CE-CD1 3.48Å; M892-H943 HydrophobicContact SD-CB 4.09Å
893	Y	60.5	Low	59.8	Low	110 Å²	110	63.4 Å²	63.4	43%	0.431	33%	0.327	S	S	.	.	H	α-helix	trans	-60.6	-41.3	173.4	-75.9	-64.7	0	0	0	111.5	V105 E889 C896 L897	V105-Y893 HydrophobicContact CB-CE1 4.46Å; V105-Y893 HydrophobicContact CG1-CD1 4.36Å; V105-Y893 HydrophobicContact CG1-CE1 3.83Å; E889-Y893 HydrophobicContact CB-CD2 4.47Å; E889-Y893 HydrophobicContact CB-CE2 4.29Å; E889-Y893 WeakPolarHBondContact O-CD2 3.11Å; E889-Y893 PolarHBondContact O-N 2.63Å; Y893-C896 PolarHBondContact O-N 3.37Å; Y893-L897 VanDerWaalsContact O-CB 3.31Å; Y893-L897 WeakPolarHBondContact O-CB 3.34Å; Y893-L897 PolarHBondContact O-N 3.11Å
894	S	65.9	Low	60.6	Low	63 Å²	63	61.9 Å²	61.9	44%	0.441	32%	0.32	S	S	.	.	H	α-helix	trans	-63.2	-41.8	176.3	-58.4	0	0	0	0	111.7	K890 E891 M892 L897 L898	K890-S894 WeakPolarHBondContact O-CB 3.12Å; K890-S894 PolarHBondContact O-N 3.37Å; K890-S894 PolarHBondContact O-OG 2.86Å; E891-S894 PolarHBondContact O-N 2.59Å; M892-S894 VanDerWaalsContact C-N 3.31Å; M892-S894 PolarHBondContact O-N 2.79Å; S894-L897 PolarHBondContact O-N 3.4Å; S894-L898 WeakPolarHBondContact O-CB 3.13Å; S894-L898 VanDerWaalsContact O-CG 3.3Å; S894-L898 WeakPolarHBondContact O-CG 3.25Å; S894-L898 PolarHBondContact O-N 3.13Å
895	L	70.3	Confident	61.6	Low	4 Å²	4	60.6 Å²	60.6	2%	0.021	31%	0.314	C	S	.	.	H	α-helix	trans	-62.3	-49.4	174.9	179.3	66.4	0	0	0	112	E891 M892 L897 L898 A899 V906 Y909 A910 L913 M916 F923	E891-L895 WeakPolarHBondContact O-CB 3.26Å; E891-L895 PolarHBondContact O-N 2.83Å; M892-L895 WeakPolarHBondContact O-CB 3.13Å; M892-L895 PolarHBondContact O-N 2.79Å; M892-L895 HydrophobicContact SD-CD2 4.18Å; L895-L897 VanDerWaalsContact C-N 3.31Å; L895-L897 PolarHBondContact O-N 2.88Å; L895-L898 PolarHBondContact O-N 3.48Å; L895-A899 WeakPolarHBondContact O-CB 3.29Å; L895-A899 PolarHBondContact O-N 3.41Å; L895-V906 HydrophobicContact CD2-CG1 3.87Å; L895-V906 HydrophobicContact CG-CG1 4.18Å; L895-Y909 HydrophobicContact CD1-CD1 3.57Å; L895-Y909 HydrophobicContact CD1-CE1 3.8Å; L895-A910 HydrophobicContact CD2-CB 4.38Å; L895-L913 HydrophobicContact CD1-CD1 4.3Å; L895-M916 HydrophobicContact CB-CE 4.22Å; L895-M916 HydrophobicContact CD1-CE 3.82Å; L895-M916 HydrophobicContact CD1-SD 3.72Å; L895-M916 HydrophobicContact CD2-CE 3.77Å; L895-M916 HydrophobicContact CD2-SD 4.36Å; L895-M916 HydrophobicContact CG-CE 4.14Å; L895-F923 HydrophobicContact CD2-CE2 3.56Å; L895-F923 HydrophobicContact CD2-CZ 3.47Å; L895-F923 VanDerWaalsContact CD2-CZ 3.47Å
896	C	63.2	Low	62.8	Low	14 Å²	14	58.8 Å²	58.8	10%	0.095	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-38.6	178.8	-70	0	0	0	0	111.9	M892 Y893 T900	M892-C896 PolarHBondContact O-N 3.4Å; M892-C896 PolarHBondContact O-SG 3.32Å; M892-C896 VanDerWaalsContact O-SG 3.34Å; Y893-C896 PolarHBondContact O-N 3.37Å; C896-T900 WeakPolarHBondContact O-CB 3.43Å; C896-T900 PolarHBondContact O-N 2.98Å; C896-T900 PolarHBondContact O-OG1 3.05Å
897	L	52.6	Low	64.2	Low	44 Å²	44	56.3 Å²	56.3	23%	0.23	30%	0.295	C	S	.	.	H	α-helix	trans	-64.8	-46.4	174.2	179.9	61.3	0	0	0	111.5	L98 A101 Y893 S894 L895 T900 L901	L98-L897 HydrophobicContact CD2-CD2 4.31Å; A101-L897 HydrophobicContact CB-CD1 3.77Å; Y893-L897 VanDerWaalsContact O-CB 3.31Å; Y893-L897 WeakPolarHBondContact O-CB 3.34Å; Y893-L897 PolarHBondContact O-N 3.11Å; S894-L897 PolarHBondContact O-N 3.4Å; L895-L897 VanDerWaalsContact C-N 3.31Å; L895-L897 PolarHBondContact O-N 2.88Å; L897-T900 PolarHBondContact O-N 2.92Å; L897-L901 HydrophobicContact CD1-CD1 4.15Å; L897-L901 HydrophobicContact CD1-CG 4.3Å; L897-L901 HydrophobicContact CG-CD1 3.95Å; L897-L901 WeakPolarHBondContact O-CB 3.28Å; L897-L901 VanDerWaalsContact O-CG 3.27Å; L897-L901 WeakPolarHBondContact O-CG 3.24Å; L897-L901 PolarHBondContact O-N 3.46Å
898	L	62.9	Low	65.2	Low	82 Å²	82	54.1 Å²	54.1	43%	0.429	29%	0.29	S	S	.	.	H	α-helix	trans	-63.9	-44.9	178.6	-74.9	169.1	0	0	0	112.4	S894 L895 T900 L901 M902 Y909	S894-L898 WeakPolarHBondContact O-CB 3.13Å; S894-L898 VanDerWaalsContact O-CG 3.3Å; S894-L898 WeakPolarHBondContact O-CG 3.25Å; S894-L898 PolarHBondContact O-N 3.13Å; L895-L898 PolarHBondContact O-N 3.48Å; L898-T900 VanDerWaalsContact C-N 3.31Å; L898-T900 PolarHBondContact O-N 2.86Å; L898-L901 PolarHBondContact O-N 3.37Å; L898-M902 WeakPolarHBondContact O-CG 3.4Å; L898-M902 PolarHBondContact O-N 2.91Å; L898-Y909 HydrophobicContact CB-CD1 4.42Å; L898-Y909 HydrophobicContact CB-CE1 3.56Å; L898-Y909 HydrophobicContact CD1-CE1 4.44Å
899	A	61	Low	66	Low	1 Å²	1	55.5 Å²	55.5	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-57.1	-45.6	173.5	0	0	0	0	0	111.2	L895 L901 M902 G903 E904 Y909	L895-A899 WeakPolarHBondContact O-CB 3.29Å; L895-A899 PolarHBondContact O-N 3.41Å; A899-L901 PolarHBondContact O-N 3.06Å; A899-M902 CarbonylContact O-C 3.52Å; A899-M902 PolarHBondContact O-N 2.85Å; A899-M902 VanDerWaalsContact O-N 3.16Å; A899-G903 PolarHBondContact O-N 3.07Å; A899-E904 CarbonylContact C-O 3.57Å; A899-E904 PolarHBondContact O-N 2.87Å; A899-Y909 HydrophobicContact CB-CD1 3.95Å; A899-Y909 HydrophobicContact CB-CG 4Å
900	T	56.3	Low	67	Low	79 Å²	79	51.4 Å²	51.4	49%	0.485	27%	0.273	S	S	.	.	H	α-helix	trans	-61.7	-41.1	176.2	-56.2	0	0	0	0	112.4	A101 C896 L897 L898 M902 G903	A101-T900 HydrophobicContact CB-CG2 4.04Å; C896-T900 WeakPolarHBondContact O-CB 3.43Å; C896-T900 PolarHBondContact O-N 2.98Å; C896-T900 PolarHBondContact O-OG1 3.05Å; L897-T900 PolarHBondContact O-N 2.92Å; L898-T900 VanDerWaalsContact C-N 3.31Å; L898-T900 PolarHBondContact O-N 2.86Å; T900-M902 VanDerWaalsContact C-N 3.32Å; T900-M902 PolarHBondContact O-N 3.17Å; T900-G903 PolarHBondContact O-N 3.3Å; T900-G903 VanDerWaalsContact O-N 3.14Å
901	L	49.6	Very low	68	Low	81 Å²	81	48.1 Å²	48.1	42%	0.424	26%	0.258	S	S	.	.	H	α-helix	trans	-70.5	-24.4	176.1	-71.3	168.8	0	0	0	113.5	L97 L897 L898 A899	L97-L901 HydrophobicContact CD1-CD2 4.39Å; L97-L901 HydrophobicContact CD2-CD2 4.34Å; L897-L901 HydrophobicContact CD1-CD1 4.15Å; L897-L901 HydrophobicContact CD1-CG 4.3Å; L897-L901 HydrophobicContact CG-CD1 3.95Å; L897-L901 WeakPolarHBondContact O-CB 3.28Å; L897-L901 VanDerWaalsContact O-CG 3.27Å; L897-L901 WeakPolarHBondContact O-CG 3.24Å; L897-L901 PolarHBondContact O-N 3.46Å; L898-L901 PolarHBondContact O-N 3.37Å; A899-L901 PolarHBondContact O-N 3.06Å
902	M	59.2	Low	68.6	Low	71 Å²	71	46.7 Å²	46.7	35%	0.35	26%	0.263	S	S	.	.	H	α-helix	trans	-80.2	-24.5	170.5	-60.7	-98.4	52	0	0	111.4	R39 L898 A899 T900 E904 Y909	R39-M902 PolarHBondContact NH1-O 3.46Å; L898-M902 WeakPolarHBondContact O-CG 3.4Å; L898-M902 PolarHBondContact O-N 2.91Å; A899-M902 CarbonylContact O-C 3.52Å; A899-M902 PolarHBondContact O-N 2.85Å; A899-M902 VanDerWaalsContact O-N 3.16Å; T900-M902 VanDerWaalsContact C-N 3.32Å; T900-M902 PolarHBondContact O-N 3.17Å; M902-E904 HydrophobicContact CB-CB 4.45Å; M902-E904 HydrophobicContact CB-CG 4.29Å; M902-Y909 HydrophobicContact CB-CD2 4.37Å; M902-Y909 HydrophobicContact CG-CD2 3.86Å; M902-Y909 HydrophobicContact CG-CE2 3.6Å; M902-Y909 HydrophobicContact SD-CD2 4.35Å; M902-Y909 HydrophobicContact SD-CE2 3.77Å
903	G	51.8	Low	69.2	Low	39 Å²	39	48.4 Å²	48.4	40%	0.402	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	26.3	-174.4	0	0	0	0	0	112.9	R39 A899 T900	R39-G903 PolarHBondContact NH1-O 2.99Å; R39-G903 VanDerWaalsContact NH1-O 3.17Å; R39-G903 PolarHBondContact NH2-O 3.42Å; A899-G903 PolarHBondContact O-N 3.07Å; T900-G903 PolarHBondContact O-N 3.3Å; T900-G903 VanDerWaalsContact O-N 3.14Å
904	E	68.1	Low	70.3	Confident	77 Å²	77	45.2 Å²	45.2	36%	0.36	27%	0.265	S	S	.	.			trans	-116.6	153	-173.4	-69.2	169.1	-170	0	0	110	R39 A899 M902	R39-E904 IonicContact NH1-OE1 3.36Å; A899-E904 CarbonylContact C-O 3.57Å; A899-E904 PolarHBondContact O-N 2.87Å; M902-E904 HydrophobicContact CB-CB 4.45Å; M902-E904 HydrophobicContact CB-CG 4.29Å
905	D	75.3	Confident	71	Confident	91 Å²	91	47.5 Å²	47.5	49%	0.487	27%	0.269	S	S	.	.			trans	-71.4	159.3	167.9	65.6	75.7	0	0	0	110.7	W907 S908 Y909	D905-W907 PolarHBondContact O-N 2.86Å; D905-W907 VanDerWaalsContact O-N 3.16Å; D905-W907 WeakPolarHBondContact OD1-CA 3.45Å; D905-W907 WeakPolarHBondContact OD1-CB 3.32Å; D905-W907 PolarHBondContact OD1-N 3.42Å; D905-W907 VanDerWaalsContact OD1-N 3.1Å; D905-S908 VanDerWaalsContact CG-OG 3.26Å; D905-S908 PolarHBondContact O-N 3.29Å; D905-S908 VanDerWaalsContact O-N 3.16Å; D905-S908 PolarHBondContact OD1-N 3.18Å; D905-S908 PolarHBondContact OD1-OG 2.88Å; D905-S908 WeakPolarHBondContact OD2-CB 3.49Å; D905-S908 PolarHBondContact OD2-OG 2.88Å; D905-Y909 PolarHBondContact O-N 2.92Å; D905-Y909 VanDerWaalsContact O-N 3.07Å
906	V	78.4	Confident	71.7	Confident	29 Å²	29	48.3 Å²	48.3	18%	0.176	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-30.1	-173.7	-172.5	0	0	0	0	111.8	L895 A910 L944	L895-V906 HydrophobicContact CD2-CG1 3.87Å; L895-V906 HydrophobicContact CG-CG1 4.18Å; V906-A910 WeakPolarHBondContact O-CB 3.49Å; V906-A910 PolarHBondContact O-N 2.89Å; V906-L944 HydrophobicContact CB-CD2 4.18Å; V906-L944 HydrophobicContact CG1-CD2 3.98Å
907	W	84.6	Confident	72.9	Confident	18 Å²	18	47.8 Å²	47.8	7%	0.068	27%	0.269	C	S	.	.	H	α-helix	trans	-72.9	-49.7	175.6	168.2	-105	0	0	0	111.9	D905 Y909 A910 K911 F917 L944 K947 F949 L960 I970 V974 E975	D905-W907 PolarHBondContact O-N 2.86Å; D905-W907 VanDerWaalsContact O-N 3.16Å; D905-W907 WeakPolarHBondContact OD1-CA 3.45Å; D905-W907 WeakPolarHBondContact OD1-CB 3.32Å; D905-W907 PolarHBondContact OD1-N 3.42Å; D905-W907 VanDerWaalsContact OD1-N 3.1Å; W907-Y909 PolarHBondContact O-N 2.96Å; W907-A910 PolarHBondContact O-N 2.89Å; W907-K911 HydrophobicContact CH2-CB 4.3Å; W907-K911 HydrophobicContact CZ2-CB 4.16Å; W907-K911 WeakPolarHBondContact O-CG 3.38Å; W907-K911 PolarHBondContact O-N 3.01Å; W907-F917 HydrophobicContact CZ3-CZ 4.37Å; W907-L944 HydrophobicContact CB-CD2 3.88Å; W907-L944 HydrophobicContact CE3-CD1 4.34Å; W907-L944 HydrophobicContact CE3-CD2 4.37Å; W907-K947 HydrophobicContact CD2-CD 4.27Å; W907-K947 HydrophobicContact CD2-CG 4.17Å; W907-K947 VanDerWaalsContact CE2-CE 3.49Å; W907-K947 HydrophobicContact CE3-CG 4.36Å; W907-K947 HydrophobicContact CG-CG 4.43Å; W907-K947 HydrophobicContact CZ2-CD 4.34Å; W907-K947 VanDerWaalsContact NE1-CE 3.29Å; W907-K947 VanDerWaalsContact NE1-NZ 3.13Å; W907-F949 HydrophobicContact CE3-CE1 4.44Å; W907-F949 HydrophobicContact CE3-CZ 4.02Å; W907-F949 HydrophobicContact CH2-CE1 4.15Å; W907-F949 HydrophobicContact CH2-CZ 4.44Å; W907-F949 AromaticContact CZ3-CE1 3.59Å; W907-F949 HydrophobicContact CZ3-CE1 3.59Å; W907-F949 AromaticContact CZ3-CZ 3.62Å; W907-F949 HydrophobicContact CZ3-CZ 3.62Å; W907-L960 HydrophobicContact CH2-CD1 4.1Å; W907-L960 HydrophobicContact CH2-CD2 4.13Å; W907-L960 HydrophobicContact CZ2-CD2 4.05Å; W907-I970 HydrophobicContact CH2-CG2 4.16Å; W907-I970 HydrophobicContact CZ3-CG2 4.31Å; W907-V974 HydrophobicContact CH2-CG1 4.3Å; W907-V974 HydrophobicContact CZ2-CG1 3.93Å; W907-E975 PolarHBondContact NE1-OE1 2.92Å
908	S	80.9	Confident	74.6	Confident	41 Å²	41	49.7 Å²	49.7	29%	0.287	28%	0.276	S	S	.	.	H	α-helix	trans	-56.5	-37	179.5	-69.3	0	0	0	0	112.4	D905 K911	D905-S908 VanDerWaalsContact CG-OG 3.26Å; D905-S908 PolarHBondContact O-N 3.29Å; D905-S908 VanDerWaalsContact O-N 3.16Å; D905-S908 PolarHBondContact OD1-N 3.18Å; D905-S908 PolarHBondContact OD1-OG 2.88Å; D905-S908 WeakPolarHBondContact OD2-CB 3.49Å; D905-S908 PolarHBondContact OD2-OG 2.88Å; S908-K911 WeakPolarHBondContact O-CG 3.42Å
909	Y	80.4	Confident	75.3	Confident	44 Å²	44	52.3 Å²	52.3	17%	0.173	29%	0.287	C	S	.	.	H	α-helix	trans	-78.1	-47.7	173.9	-171.2	-114.3	0	0	0	112.4	L895 L898 A899 M902 D905 W907 K911 G912 L913	L895-Y909 HydrophobicContact CD1-CD1 3.57Å; L895-Y909 HydrophobicContact CD1-CE1 3.8Å; L898-Y909 HydrophobicContact CB-CD1 4.42Å; L898-Y909 HydrophobicContact CB-CE1 3.56Å; L898-Y909 HydrophobicContact CD1-CE1 4.44Å; A899-Y909 HydrophobicContact CB-CD1 3.95Å; A899-Y909 HydrophobicContact CB-CG 4Å; M902-Y909 HydrophobicContact CB-CD2 4.37Å; M902-Y909 HydrophobicContact CG-CD2 3.86Å; M902-Y909 HydrophobicContact CG-CE2 3.6Å; M902-Y909 HydrophobicContact SD-CD2 4.35Å; M902-Y909 HydrophobicContact SD-CE2 3.77Å; D905-Y909 PolarHBondContact O-N 2.92Å; D905-Y909 VanDerWaalsContact O-N 3.07Å; W907-Y909 PolarHBondContact O-N 2.96Å; Y909-K911 PolarHBondContact O-N 2.91Å; Y909-G912 PolarHBondContact O-N 3.23Å; Y909-G912 VanDerWaalsContact O-N 3.1Å; Y909-L913 HydrophobicContact CD1-CD1 4.24Å; Y909-L913 HydrophobicContact CE1-CD1 3.78Å
910	A	83.3	Confident	75.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65.9	-30.6	-176.6	0	0	0	0	0	114	L895 V906 W907 G912 L913 F917 F923	L895-A910 HydrophobicContact CD2-CB 4.38Å; V906-A910 WeakPolarHBondContact O-CB 3.49Å; V906-A910 PolarHBondContact O-N 2.89Å; W907-A910 PolarHBondContact O-N 2.89Å; A910-G912 PolarHBondContact O-N 2.89Å; A910-L913 CarbonylContact O-C 3.56Å; A910-L913 WeakPolarHBondContact O-CA 3.4Å; A910-L913 PolarHBondContact O-N 2.85Å; A910-F917 HydrophobicContact CB-CE2 4Å; A910-F917 HydrophobicContact CB-CZ 4.11Å; A910-F923 HydrophobicContact CB-CE2 4Å; A910-F923 HydrophobicContact CB-CZ 4.42Å
911	K	83.5	Confident	77	Confident	41 Å²	41	51.8 Å²	51.8	18%	0.178	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.5	174.6	69.4	170.9	-177.5	165.7	0	112.9	W907 S908 Y909 L913 I970 G971 V974 E975	W907-K911 HydrophobicContact CH2-CB 4.3Å; W907-K911 HydrophobicContact CZ2-CB 4.16Å; W907-K911 WeakPolarHBondContact O-CG 3.38Å; W907-K911 PolarHBondContact O-N 3.01Å; S908-K911 WeakPolarHBondContact O-CG 3.42Å; Y909-K911 PolarHBondContact O-N 2.91Å; K911-L913 PolarHBondContact O-N 3.01Å; K911-I970 HydrophobicContact CB-CG2 4.39Å; K911-G971 CarbonylContact O-C 3.49Å; K911-G971 WeakPolarHBondContact O-CA 3.42Å; K911-V974 HydrophobicContact CB-CG1 4.47Å; K911-E975 HydrophobicContact CD-CG 4.49Å; K911-E975 IonicContact NZ-OE2 3.05Å; K911-E975 PolarHBondContact NZ-OE2 2.97Å
912	G	81	Confident	78.6	Confident	43 Å²	43	48 Å²	48	44%	0.443	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-6.4	170.8	0	0	0	0	0	114.2	Y909 A910 P914	Y909-G912 PolarHBondContact O-N 3.23Å; Y909-G912 VanDerWaalsContact O-N 3.1Å; A910-G912 PolarHBondContact O-N 2.89Å; G912-P914 WeakPolarHBondContact O-CD 3.36Å
913	L	85.5	Confident	79.8	Confident	45 Å²	45	44.6 Å²	44.6	24%	0.236	26%	0.26	C	S	.	.			trans	-126.8	67.5	-173.2	-55.7	174.6	0	0	0	111.7	L895 Y909 A910 K911 H915 M916	L895-L913 HydrophobicContact CD1-CD1 4.3Å; Y909-L913 HydrophobicContact CD1-CD1 4.24Å; Y909-L913 HydrophobicContact CE1-CD1 3.78Å; A910-L913 CarbonylContact O-C 3.56Å; A910-L913 WeakPolarHBondContact O-CA 3.4Å; A910-L913 PolarHBondContact O-N 2.85Å; K911-L913 PolarHBondContact O-N 3.01Å; L913-H915 PolarHBondContact O-N 2.88Å; L913-M916 HydrophobicContact CB-CG 3.83Å; L913-M916 HydrophobicContact CB-SD 3.76Å; L913-M916 HydrophobicContact CD1-SD 3.6Å; L913-M916 VanDerWaalsContact CD1-SD 3.6Å; L913-M916 HydrophobicContact CG-SD 4.33Å; L913-M916 WeakPolarHBondContact O-CB 3.47Å; L913-M916 WeakPolarHBondContact O-CG 3.26Å; L913-M916 PolarHBondContact O-N 2.78Å
914	P	81.8	Confident	81.4	Confident	43 Å²	43	43 Å²	43	28%	0.279	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-50.4	-35.6	-175.4	-29	33.8	0	0	0	115.4	G912 M916 F917 I970	G912-P914 WeakPolarHBondContact O-CD 3.36Å; P914-M916 PolarHBondContact O-N 3.28Å; P914-M916 VanDerWaalsContact O-N 3.13Å; P914-F917 WeakPolarHBondContact O-CB 3.46Å; P914-F917 PolarHBondContact O-N 2.68Å; P914-I970 WeakPolarHBondContact CB-O 3.45Å; P914-I970 WeakPolarHBondContact CG-O 3.39Å
915	H	81.7	Confident	82	Confident	111 Å²	111	41.5 Å²	41.5	51%	0.514	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-59.6	-24.1	-179.1	65.3	-95.3	0	0	0	113.3	L913 F917 Q918 G921	L913-H915 PolarHBondContact O-N 2.88Å; H915-F917 PolarHBondContact O-N 3.39Å; H915-Q918 PolarHBondContact O-N 3.11Å; H915-G921 WeakPolarHBondContact O-CA 3.29Å
916	M	85.1	Confident	82.2	Confident	21 Å²	21	39.1 Å²	39.1	10%	0.103	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-68.3	-16.1	177.2	-57	-166.9	73.8	0	0	113.2	L895 L913 P914 G921 V922 F923	L895-M916 HydrophobicContact CB-CE 4.22Å; L895-M916 HydrophobicContact CD1-CE 3.82Å; L895-M916 HydrophobicContact CD1-SD 3.72Å; L895-M916 HydrophobicContact CD2-CE 3.77Å; L895-M916 HydrophobicContact CD2-SD 4.36Å; L895-M916 HydrophobicContact CG-CE 4.14Å; L913-M916 HydrophobicContact CB-CG 3.83Å; L913-M916 HydrophobicContact CB-SD 3.76Å; L913-M916 HydrophobicContact CD1-SD 3.6Å; L913-M916 VanDerWaalsContact CD1-SD 3.6Å; L913-M916 HydrophobicContact CG-SD 4.33Å; L913-M916 WeakPolarHBondContact O-CB 3.47Å; L913-M916 WeakPolarHBondContact O-CG 3.26Å; L913-M916 PolarHBondContact O-N 2.78Å; P914-M916 PolarHBondContact O-N 3.28Å; P914-M916 VanDerWaalsContact O-N 3.13Å; M916-G921 CarbonylContact O-C 3.54Å; M916-G921 WeakPolarHBondContact O-CA 3.4Å; M916-V922 HydrophobicContact CE-CB 4.49Å; M916-V922 HydrophobicContact CE-CG1 3.52Å; M916-V922 PolarHBondContact O-N 2.8Å; M916-F923 HydrophobicContact CB-CD2 4Å; M916-F923 HydrophobicContact CB-CE2 4.39Å; M916-F923 WeakPolarHBondContact O-CB 3.46Å; M916-F923 PolarHBondContact O-N 3.2Å
917	F	88.6	Confident	82.2	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.009	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-108.4	0.4	178.9	-63.7	-84.5	0	0	0	112.8	W907 A910 P914 H915 F923 L944 F949 L958 I970	W907-F917 HydrophobicContact CZ3-CZ 4.37Å; A910-F917 HydrophobicContact CB-CE2 4Å; A910-F917 HydrophobicContact CB-CZ 4.11Å; P914-F917 WeakPolarHBondContact O-CB 3.46Å; P914-F917 PolarHBondContact O-N 2.68Å; H915-F917 PolarHBondContact O-N 3.39Å; F917-F923 HydrophobicContact CD1-CB 3.75Å; F917-F923 HydrophobicContact CD1-CD2 4.02Å; F917-F923 HydrophobicContact CD1-CG 4.05Å; F917-F923 HydrophobicContact CD2-CD2 4.36Å; F917-F923 HydrophobicContact CE1-CB 3.83Å; F917-F923 HydrophobicContact CE1-CD1 4.3Å; F917-F923 AromaticContact CE1-CD2 3.53Å; F917-F923 HydrophobicContact CE1-CD2 3.53Å; F917-F923 HydrophobicContact CE1-CE2 4.16Å; F917-F923 AromaticContact CE1-CG 3.63Å; F917-F923 HydrophobicContact CE1-CG 3.63Å; F917-F923 AromaticContact CE2-CD2 3.91Å; F917-F923 HydrophobicContact CE2-CD2 3.91Å; F917-F923 HydrophobicContact CE2-CE2 4.15Å; F917-F923 HydrophobicContact CG-CB 4.49Å; F917-F923 HydrophobicContact CG-CD2 4.41Å; F917-F923 AromaticContact CZ-CD2 3.48Å; F917-F923 HydrophobicContact CZ-CD2 3.48Å; F917-F923 VanDerWaalsContact CZ-CD2 3.48Å; F917-F923 AromaticContact CZ-CE2 3.69Å; F917-F923 HydrophobicContact CZ-CE2 3.69Å; F917-F923 HydrophobicContact CZ-CG 4.04Å; F917-F923 HydrophobicContact CZ-CZ 4.4Å; F917-L944 HydrophobicContact CE1-CD1 3.95Å; F917-L944 HydrophobicContact CZ-CD1 3.9Å; F917-F949 HydrophobicContact CE1-CD1 4.49Å; F917-F949 HydrophobicContact CE1-CE1 4.1Å; F917-F949 HydrophobicContact CE1-CZ 4.41Å; F917-L958 HydrophobicContact CB-CB 4.13Å; F917-L958 HydrophobicContact CD1-CB 4.29Å; F917-L958 HydrophobicContact CD1-CD1 4.3Å; F917-L958 PolarHBondContact O-N 2.84Å; F917-I970 HydrophobicContact CB-CD1 3.93Å; F917-I970 HydrophobicContact CD1-CD1 3.38Å; F917-I970 HydrophobicContact CD2-CB 4.29Å; F917-I970 HydrophobicContact CD2-CD1 4.05Å; F917-I970 HydrophobicContact CD2-CG2 3.78Å; F917-I970 HydrophobicContact CE1-CD1 3.82Å; F917-I970 HydrophobicContact CE2-CD1 4.42Å; F917-I970 HydrophobicContact CE2-CG2 3.84Å; F917-I970 HydrophobicContact CG-CB 4.43Å; F917-I970 HydrophobicContact CG-CD1 3.51Å; F917-I970 HydrophobicContact CG-CG2 4.35Å; F917-I970 HydrophobicContact CZ-CD1 4.32Å; F917-I970 HydrophobicContact CZ-CG2 4.45Å
918	Q	86.6	Confident	82	Confident	84 Å²	84	42.2 Å²	42.2	39%	0.393	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-105	174.5	178.7	-65.9	169.2	-5.7	0	0	110.5	H915 G920 G921 Y924 R957	H915-Q918 PolarHBondContact O-N 3.11Å; Q918-G920 PolarHBondContact O-N 3.19Å; Q918-G921 PolarHBondContact O-N 2.9Å; Q918-Y924 VanDerWaalsContact C-CD2 3.48Å; Q918-Y924 WeakPolarHBondContact O-CB 3.45Å; Q918-Y924 VanDerWaalsContact O-CG 3.23Å; Q918-R957 HydrophobicContact CG-CB 3.96Å
919	Q	78.7	Confident	81.6	Confident	138 Å²	138	44.7 Å²	44.7	65%	0.645	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.2	122.4	179.3	-165.7	-168.3	96.8	0	0	112.2	Y924 D956	Q919-Y924 HydrophobicContact CB-CE1 4.4Å; Q919-Y924 HydrophobicContact CB-CE2 4.24Å; Q919-Y924 HydrophobicContact CG-CE1 4.11Å; Q919-D956 PolarHBondContact N-O 2.57Å; Q919-D956 PolarHBondContact NE2-OD2 2.95Å
920	G	71	Confident	81	Confident	59 Å²	59	47.5 Å²	47.5	61%	0.608	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.1	-10.8	-177.7	0	0	0	0	0	115.2	Q918	Q918-G920 PolarHBondContact O-N 3.19Å
921	G	81.3	Confident	80.2	Confident	9 Å²	9	51.3 Å²	51.3	9%	0.093	29%	0.285	C	S	.	.	S	Bend	trans	-71.1	159.2	172.9	0	0	0	0	0	113.6	H915 M916 Q918 Y924 S925	H915-G921 WeakPolarHBondContact O-CA 3.29Å; M916-G921 CarbonylContact O-C 3.54Å; M916-G921 WeakPolarHBondContact O-CA 3.4Å; Q918-G921 PolarHBondContact O-N 2.9Å; G921-Y924 PolarHBondContact O-N 3.13Å; G921-S925 VanDerWaalsContact O-CB 3.3Å; G921-S925 WeakPolarHBondContact O-CB 3.3Å; G921-S925 PolarHBondContact O-N 3.21Å; G921-S925 PolarHBondContact O-OG 3.04Å
922	V	83.1	Confident	79.3	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-65.9	-41.8	-175.2	76.2	0	0	0	0	113	A888 E891 M892 M916 S925 I926	A888-V922 HydrophobicContact CB-CG2 4.27Å; A888-V922 WeakPolarHBondContact O-CG2 3.33Å; E891-V922 HydrophobicContact CB-CB 4.35Å; E891-V922 HydrophobicContact CB-CG2 3.94Å; M892-V922 HydrophobicContact CE-CG1 3.81Å; M892-V922 HydrophobicContact CE-CG2 4Å; M916-V922 HydrophobicContact CE-CB 4.49Å; M916-V922 HydrophobicContact CE-CG1 3.52Å; M916-V922 PolarHBondContact O-N 2.8Å; V922-S925 PolarHBondContact O-N 2.54Å; V922-I926 HydrophobicContact CG2-CD1 4.14Å; V922-I926 WeakPolarHBondContact O-CB 3.38Å; V922-I926 WeakPolarHBondContact O-CD1 3.41Å; V922-I926 VanDerWaalsContact O-CG1 3.25Å; V922-I926 WeakPolarHBondContact O-CG1 3.07Å; V922-I926 PolarHBondContact O-N 2.87Å
923	F	85.3	Confident	78.9	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-71.5	-39.1	179.9	-65.2	-74	0	0	0	111.5	M892 L895 A910 M916 F917 I926 M927 F941 L944 L958	M892-F923 HydrophobicContact CE-CD1 4.01Å; M892-F923 HydrophobicContact CE-CE1 3.59Å; M892-F923 HydrophobicContact CE-CZ 3.96Å; M892-F923 HydrophobicContact SD-CE1 4.18Å; M892-F923 HydrophobicContact SD-CZ 4.23Å; L895-F923 HydrophobicContact CD2-CE2 3.56Å; L895-F923 HydrophobicContact CD2-CZ 3.47Å; L895-F923 VanDerWaalsContact CD2-CZ 3.47Å; A910-F923 HydrophobicContact CB-CE2 4Å; A910-F923 HydrophobicContact CB-CZ 4.42Å; M916-F923 HydrophobicContact CB-CD2 4Å; M916-F923 HydrophobicContact CB-CE2 4.39Å; M916-F923 WeakPolarHBondContact O-CB 3.46Å; M916-F923 PolarHBondContact O-N 3.2Å; F917-F923 HydrophobicContact CD1-CB 3.75Å; F917-F923 HydrophobicContact CD1-CD2 4.02Å; F917-F923 HydrophobicContact CD1-CG 4.05Å; F917-F923 HydrophobicContact CD2-CD2 4.36Å; F917-F923 HydrophobicContact CE1-CB 3.83Å; F917-F923 HydrophobicContact CE1-CD1 4.3Å; F917-F923 AromaticContact CE1-CD2 3.53Å; F917-F923 HydrophobicContact CE1-CD2 3.53Å; F917-F923 HydrophobicContact CE1-CE2 4.16Å; F917-F923 AromaticContact CE1-CG 3.63Å; F917-F923 HydrophobicContact CE1-CG 3.63Å; F917-F923 AromaticContact CE2-CD2 3.91Å; F917-F923 HydrophobicContact CE2-CD2 3.91Å; F917-F923 HydrophobicContact CE2-CE2 4.15Å; F917-F923 HydrophobicContact CG-CB 4.49Å; F917-F923 HydrophobicContact CG-CD2 4.41Å; F917-F923 AromaticContact CZ-CD2 3.48Å; F917-F923 HydrophobicContact CZ-CD2 3.48Å; F917-F923 VanDerWaalsContact CZ-CD2 3.48Å; F917-F923 AromaticContact CZ-CE2 3.69Å; F917-F923 HydrophobicContact CZ-CE2 3.69Å; F917-F923 HydrophobicContact CZ-CG 4.04Å; F917-F923 HydrophobicContact CZ-CZ 4.4Å; F923-I926 PolarHBondContact O-N 2.93Å; F923-M927 PolarHBondContact O-N 3.03Å; F923-F941 HydrophobicContact CB-CE2 4.07Å; F923-F941 HydrophobicContact CB-CZ 4Å; F923-F941 HydrophobicContact CD1-CD1 4.36Å; F923-F941 AromaticContact CD1-CD2 3.96Å; F923-F941 HydrophobicContact CD1-CD2 3.96Å; F923-F941 HydrophobicContact CD1-CE2 4.19Å; F923-F941 HydrophobicContact CD1-CG 4.06Å; F923-F941 HydrophobicContact CD1-CZ 4.49Å; F923-F941 WeakPolarHBondContact O-CZ 3.37Å; F923-L944 HydrophobicContact CD1-CD1 3.95Å; F923-L944 HydrophobicContact CE1-CD1 3.49Å; F923-L944 VanDerWaalsContact CE1-CD1 3.49Å; F923-L944 HydrophobicContact CE1-CG 3.86Å; F923-L944 HydrophobicContact CE2-CD1 4.37Å; F923-L944 HydrophobicContact CZ-CD1 3.73Å; F923-L944 HydrophobicContact CZ-CD2 4.34Å; F923-L944 HydrophobicContact CZ-CG 4.12Å; F923-L958 HydrophobicContact CB-CD1 4.23Å
924	Y	84.4	Confident	78.3	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-57	-48.6	170.5	178	-79.2	0	0	0	111.3	Q918 Q919 G921 I926 M927 K928 M933 Y951 D956	Q918-Y924 VanDerWaalsContact C-CD2 3.48Å; Q918-Y924 WeakPolarHBondContact O-CB 3.45Å; Q918-Y924 VanDerWaalsContact O-CG 3.23Å; Q919-Y924 HydrophobicContact CB-CE1 4.4Å; Q919-Y924 HydrophobicContact CB-CE2 4.24Å; Q919-Y924 HydrophobicContact CG-CE1 4.11Å; G921-Y924 PolarHBondContact O-N 3.13Å; Y924-I926 PolarHBondContact O-N 2.65Å; Y924-M927 PolarHBondContact O-N 3.29Å; Y924-K928 HydrophobicContact CD1-CD 4.41Å; Y924-K928 HydrophobicContact CE1-CD 3.62Å; Y924-K928 WeakPolarHBondContact O-CB 3.33Å; Y924-K928 PolarHBondContact O-N 2.76Å; Y924-K928 PolarHBondContact OH-NZ 3.4Å; Y924-M933 HydrophobicContact CD1-CE 4Å; Y924-M933 HydrophobicContact CD2-CE 3.44Å; Y924-M933 VanDerWaalsContact CD2-CE 3.44Å; Y924-M933 HydrophobicContact CE1-CE 3.95Å; Y924-M933 HydrophobicContact CE2-CE 3.41Å; Y924-M933 VanDerWaalsContact CE2-CE 3.41Å; Y924-M933 HydrophobicContact CG-CE 3.73Å; Y924-M933 WeakPolarHBondContact O-CE 3.48Å; Y924-Y951 HydrophobicContact CE2-CE2 4Å; Y924-D956 WeakPolarHBondContact CE2-O 3.27Å; Y924-D956 WeakPolarHBondContact CE2-OD1 3.4Å; Y924-D956 VanDerWaalsContact CZ-OD1 3.25Å; Y924-D956 PolarHBondContact OH-OD1 3.27Å; Y924-D956 PolarHBondContact OH-OD2 3.42Å
925	S	81.1	Confident	78.1	Confident	46 Å²	46	54.4 Å²	54.4	32%	0.322	30%	0.304	S	S	.	.	H	α-helix	trans	-66.3	-38.4	-178.4	-60.6	0	0	0	0	112.4	G921 V922 K929	G921-S925 VanDerWaalsContact O-CB 3.3Å; G921-S925 WeakPolarHBondContact O-CB 3.3Å; G921-S925 PolarHBondContact O-N 3.21Å; G921-S925 PolarHBondContact O-OG 3.04Å; V922-S925 PolarHBondContact O-N 2.54Å; S925-K929 WeakPolarHBondContact O-CB 3.49Å; S925-K929 PolarHBondContact O-N 3.4Å; S925-K929 VanDerWaalsContact O-N 3.12Å
926	I	79.8	Confident	77.7	Confident	41 Å²	41	50.5 Å²	50.5	21%	0.21	30%	0.295	C	S	.	.	H	α-helix	trans	-62.4	-49.7	172.3	-70.5	164.6	0	0	0	110.5	M892 V922 F923 Y924 K928 K929 T930 F941	M892-I926 HydrophobicContact CE-CD1 3.48Å; M892-I926 VanDerWaalsContact CE-CD1 3.48Å; V922-I926 HydrophobicContact CG2-CD1 4.14Å; V922-I926 WeakPolarHBondContact O-CB 3.38Å; V922-I926 WeakPolarHBondContact O-CD1 3.41Å; V922-I926 VanDerWaalsContact O-CG1 3.25Å; V922-I926 WeakPolarHBondContact O-CG1 3.07Å; V922-I926 PolarHBondContact O-N 2.87Å; F923-I926 PolarHBondContact O-N 2.93Å; Y924-I926 PolarHBondContact O-N 2.65Å; I926-K928 PolarHBondContact O-N 2.95Å; I926-K929 PolarHBondContact O-N 3.46Å; I926-T930 WeakPolarHBondContact O-CB 3.4Å; I926-T930 PolarHBondContact O-N 3.13Å; I926-T930 PolarHBondContact O-OG1 2.82Å; I926-T930 VanDerWaalsContact O-OG1 3.09Å; I926-F941 HydrophobicContact CB-CE1 4.32Å; I926-F941 HydrophobicContact CG2-CD1 4.05Å; I926-F941 HydrophobicContact CG2-CE1 3.93Å
927	M	78.9	Confident	77.4	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-60.9	-45.1	178.8	-175.9	170.2	174.3	0	0	112.1	F923 Y924 K929 M931 G932 M933 K937 C939 F941 L958	F923-M927 PolarHBondContact O-N 3.03Å; Y924-M927 PolarHBondContact O-N 3.29Å; M927-K929 PolarHBondContact O-N 2.97Å; M927-M931 PolarHBondContact O-N 3.49Å; M927-G932 PolarHBondContact O-N 3.09Å; M927-M933 HydrophobicContact CB-CE 4.43Å; M927-M933 HydrophobicContact CB-SD 4.23Å; M927-M933 HydrophobicContact CG-SD 3.87Å; M927-M933 HydrophobicContact SD-SD 4.26Å; M927-K937 HydrophobicContact CE-CB 4.42Å; M927-K937 WeakPolarHBondContact CE-O 3.39Å; M927-C939 HydrophobicContact CE-CB 4.36Å; M927-C939 HydrophobicContact SD-CB 4.33Å; M927-C939 PolarHBondContact SD-SG 3.47Å; M927-F941 HydrophobicContact CB-CE1 4.23Å; M927-F941 HydrophobicContact CB-CZ 4.13Å; M927-L958 HydrophobicContact CB-CD1 4.37Å; M927-L958 HydrophobicContact SD-CD1 4.33Å; M927-L958 HydrophobicContact SD-CD2 3.35Å; M927-L958 WeakPolarHBondContact SD-CD2 3.29Å; M927-L958 HydrophobicContact SD-CG 4.49Å
928	K	79.4	Confident	77	Confident	111 Å²	111	57.9 Å²	57.9	48%	0.483	33%	0.327	S	S	.	.	H	α-helix	trans	-56.7	-36.6	178.3	-169.9	156.9	-170.8	164.7	0	112.8	Y924 I926 M933	Y924-K928 HydrophobicContact CD1-CD 4.41Å; Y924-K928 HydrophobicContact CE1-CD 3.62Å; Y924-K928 WeakPolarHBondContact O-CB 3.33Å; Y924-K928 PolarHBondContact O-N 2.76Å; Y924-K928 PolarHBondContact OH-NZ 3.4Å; I926-K928 PolarHBondContact O-N 2.95Å; K928-M933 HydrophobicContact CB-CE 4.1Å; K928-M933 HydrophobicContact CB-CG 3.93Å; K928-M933 HydrophobicContact CB-SD 4.15Å; K928-M933 HydrophobicContact CD-CG 4.15Å; K928-M933 HydrophobicContact CG-CG 3.89Å
929	K	73.9	Confident	76.7	Confident	92 Å²	92	54.2 Å²	54.2	40%	0.4	31%	0.311	S	S	.	.	H	α-helix	trans	-89.6	-39.1	-177.9	-166.3	179	-171.9	-179.9	0	114	S881 S925 I926 M927	S881-K929 PolarHBondContact O-NZ 2.61Å; S881-K929 WeakPolarHBondContact OG-CE 3.41Å; S925-K929 WeakPolarHBondContact O-CB 3.49Å; S925-K929 PolarHBondContact O-N 3.4Å; S925-K929 VanDerWaalsContact O-N 3.12Å; I926-K929 PolarHBondContact O-N 3.46Å; M927-K929 PolarHBondContact O-N 2.97Å
930	T	67.3	Low	76.7	Confident	103 Å²	103	51.7 Å²	51.7	63%	0.632	31%	0.305	S	S	*	.	H	α-helix	trans	-91.2	-26.5	-172.2	-50.6	0	0	0	0	113.2	I926	I926-T930 WeakPolarHBondContact O-CB 3.4Å; I926-T930 PolarHBondContact O-N 3.13Å; I926-T930 PolarHBondContact O-OG1 2.82Å; I926-T930 VanDerWaalsContact O-OG1 3.09Å
931	M	65.4	Low	77.1	Confident	81 Å²	81	49.3 Å²	49.3	40%	0.399	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	-15.1	-178.7	-63.9	-166.1	-177.7	0	0	114.6	M927 K937 C939	M927-M931 PolarHBondContact O-N 3.49Å; M931-K937 PolarHBondContact O-NZ 2.88Å; M931-C939 HydrophobicContact CE-CB 4.17Å; M931-C939 HydrophobicContact SD-CB 3.43Å; M931-C939 WeakPolarHBondContact SD-CB 3.4Å
932	G	65.9	Low	76.5	Confident	31 Å²	31	54.5 Å²	54.5	32%	0.32	31%	0.31	S	S	.	.			trans	76.2	141.7	-173.2	0	0	0	0	0	112.3	M927 A934	M927-G932 PolarHBondContact O-N 3.09Å; G932-A934 PolarHBondContact O-N 3.27Å
933	M	71.9	Confident	75.9	Confident	47 Å²	47	58.5 Å²	58.5	23%	0.232	33%	0.328	C	S	.	.			trans	-80.2	115.9	176.4	-64.2	-46.5	-144	0	0	110.4	Y924 M927 K928 Y951 L958	Y924-M933 HydrophobicContact CD1-CE 4Å; Y924-M933 HydrophobicContact CD2-CE 3.44Å; Y924-M933 VanDerWaalsContact CD2-CE 3.44Å; Y924-M933 HydrophobicContact CE1-CE 3.95Å; Y924-M933 HydrophobicContact CE2-CE 3.41Å; Y924-M933 VanDerWaalsContact CE2-CE 3.41Å; Y924-M933 HydrophobicContact CG-CE 3.73Å; Y924-M933 WeakPolarHBondContact O-CE 3.48Å; M927-M933 HydrophobicContact CB-CE 4.43Å; M927-M933 HydrophobicContact CB-SD 4.23Å; M927-M933 HydrophobicContact CG-SD 3.87Å; M927-M933 HydrophobicContact SD-SD 4.26Å; K928-M933 HydrophobicContact CB-CE 4.1Å; K928-M933 HydrophobicContact CB-CG 3.93Å; K928-M933 HydrophobicContact CB-SD 4.15Å; K928-M933 HydrophobicContact CD-CG 4.15Å; K928-M933 HydrophobicContact CG-CG 3.89Å; M933-Y951 HydrophobicContact CB-CD1 4.05Å; M933-Y951 HydrophobicContact CB-CE1 3.82Å; M933-Y951 HydrophobicContact CB-CE2 4.45Å; M933-Y951 HydrophobicContact CB-CG 4.46Å; M933-Y951 HydrophobicContact CE-CD2 3.62Å; M933-Y951 HydrophobicContact CE-CE2 3.84Å; M933-Y951 HydrophobicContact CE-CG 4.37Å; M933-Y951 HydrophobicContact CG-CD2 4.4Å; M933-Y951 HydrophobicContact CG-CE1 4.47Å; M933-Y951 HydrophobicContact CG-CE2 4.24Å; M933-Y951 HydrophobicContact SD-CD1 4.47Å; M933-Y951 HydrophobicContact SD-CD2 3.78Å; M933-Y951 HydrophobicContact SD-CE2 4.17Å; M933-Y951 HydrophobicContact SD-CG 3.93Å; M933-L958 HydrophobicContact CE-CD2 4.17Å
934	A	72	Confident	75.6	Confident	50 Å²	50	58.6 Å²	58.6	41%	0.413	33%	0.329	S	S	.	.			trans	-139.1	136.9	169.5	0	0	0	0	0	107.7	G932 K937	G932-A934 PolarHBondContact O-N 3.27Å; A934-K937 HydrophobicContact CB-CB 4.32Å; A934-K937 HydrophobicContact CB-CD 4.31Å; A934-K937 WeakPolarHBondContact O-CB 3.42Å; A934-K937 PolarHBondContact O-N 2.88Å
935	D	79.4	Confident	75	Confident	108 Å²	108	63.5 Å²	63.5	58%	0.578	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	141.3	-174.4	-166.2	39.3	0	0	0	111.9	K937 A953	D935-K937 PolarHBondContact O-N 2.76Å; D935-K937 VanDerWaalsContact O-N 3.12Å; D935-A953 HydrophobicContact CB-CB 3.63Å; D935-A953 WeakPolarHBondContact OD1-CB 3.48Å; D935-A953 PolarHBondContact OD1-N 3.41Å
936	G	72.4	Confident	74.6	Confident	30 Å²	30	65.4 Å²	65.4	31%	0.309	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	6.1	-179.3	0	0	0	0	0	115.4	H938 V950 Y951	G936-H938 PolarHBondContact O-CE1 2.83Å; G936-H938 PolarHBondContact O-N 3.36Å; G936-H938 PolarHBondContact O-ND1 2.86Å; G936-V950 VanDerWaalsContact C-CG2 3.41Å; G936-Y951 PolarHBondContact N-O 2.66Å
937	K	77.8	Confident	74.9	Confident	87 Å²	87	65.8 Å²	65.8	38%	0.378	39%	0.388	S	S	.	.			trans	-79.1	119.5	179.5	-175	174.9	-177.7	173.1	0	111.6	M927 M931 A934 D935 Y951	M927-K937 HydrophobicContact CE-CB 4.42Å; M927-K937 WeakPolarHBondContact CE-O 3.39Å; M931-K937 PolarHBondContact O-NZ 2.88Å; A934-K937 HydrophobicContact CB-CB 4.32Å; A934-K937 HydrophobicContact CB-CD 4.31Å; A934-K937 WeakPolarHBondContact O-CB 3.42Å; A934-K937 PolarHBondContact O-N 2.88Å; D935-K937 PolarHBondContact O-N 2.76Å; D935-K937 VanDerWaalsContact O-N 3.12Å; K937-Y951 PolarHBondContact O-N 3.4Å
938	H	81.9	Confident	75.2	Confident	90 Å²	90	67.8 Å²	67.8	42%	0.417	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	144.2	176.8	-59.1	92.9	0	0	0	113.6	G936 T948 F949 C961 H967	G936-H938 PolarHBondContact O-CE1 2.83Å; G936-H938 PolarHBondContact O-N 3.36Å; G936-H938 PolarHBondContact O-ND1 2.86Å; H938-T948 HydrophobicContact CB-CG2 4Å; H938-F949 CarbonylContact C-O 3.36Å; H938-F949 WeakPolarHBondContact CA-O 3.47Å; H938-C961 PolarHBondContact CD2-SG 2.73Å; H938-C961 PolarHBondContact NE2-SG 3.3Å; H938-H967 AromaticContact NE2-NE2 3.87Å
939	C	78.7	Confident	75.7	Confident	8 Å²	8	62.5 Å²	62.5	5%	0.054	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	166.9	175.5	72.1	0	0	0	0	111.9	M927 M931 F949	M927-C939 HydrophobicContact CE-CB 4.36Å; M927-C939 HydrophobicContact SD-CB 4.33Å; M927-C939 PolarHBondContact SD-SG 3.47Å; M931-C939 HydrophobicContact CE-CB 4.17Å; M931-C939 HydrophobicContact SD-CB 3.43Å; M931-C939 WeakPolarHBondContact SD-CB 3.4Å; C939-F949 PolarHBondContact N-O 2.98Å; C939-F949 PolarHBondContact O-N 2.74Å
940	T	80.4	Confident	76.4	Confident	84 Å²	84	58.1 Å²	58.1	52%	0.515	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.5	169.1	56.8	0	0	0	0	108.8
941	F	78.9	Confident	77.3	Confident	10 Å²	10	54.5 Å²	54.5	4%	0.044	33%	0.333	C	S	.	.			trans	-105.3	133.7	177.4	-62.1	-69.5	0	0	0	110.2	F923 I926 M927 H943 L944 F949 L958	F923-F941 HydrophobicContact CB-CE2 4.07Å; F923-F941 HydrophobicContact CB-CZ 4Å; F923-F941 HydrophobicContact CD1-CD1 4.36Å; F923-F941 AromaticContact CD1-CD2 3.96Å; F923-F941 HydrophobicContact CD1-CD2 3.96Å; F923-F941 HydrophobicContact CD1-CE2 4.19Å; F923-F941 HydrophobicContact CD1-CG 4.06Å; F923-F941 HydrophobicContact CD1-CZ 4.49Å; F923-F941 WeakPolarHBondContact O-CZ 3.37Å; I926-F941 HydrophobicContact CB-CE1 4.32Å; I926-F941 HydrophobicContact CG2-CD1 4.05Å; I926-F941 HydrophobicContact CG2-CE1 3.93Å; M927-F941 HydrophobicContact CB-CE1 4.23Å; M927-F941 HydrophobicContact CB-CZ 4.13Å; F941-H943 PolarHBondContact O-N 2.82Å; F941-H943 VanDerWaalsContact O-N 3.11Å; F941-L944 HydrophobicContact CB-CB 4.26Å; F941-L944 HydrophobicContact CB-CG 4.49Å; F941-L944 HydrophobicContact CD2-CD1 4.14Å; F941-L944 CarbonylContact O-C 3.57Å; F941-L944 PolarHBondContact O-N 2.97Å; F941-F949 AromaticContact CD2-CD2 3.43Å; F941-F949 HydrophobicContact CD2-CD2 3.43Å; F941-F949 VanDerWaalsContact CD2-CD2 3.43Å; F941-F949 AromaticContact CD2-CE2 3.69Å; F941-F949 HydrophobicContact CD2-CE2 3.69Å; F941-F949 HydrophobicContact CD2-CG 4.19Å; F941-F949 HydrophobicContact CE2-CB 4.18Å; F941-F949 AromaticContact CE2-CD2 3.62Å; F941-F949 HydrophobicContact CE2-CD2 3.62Å; F941-F949 HydrophobicContact CE2-CE2 4.22Å; F941-F949 AromaticContact CE2-CG 3.9Å; F941-F949 HydrophobicContact CE2-CG 3.9Å; F941-L958 HydrophobicContact CE2-CD1 3.99Å; F941-L958 HydrophobicContact CZ-CD1 3.67Å
942	P	68.8	Low	78.3	Confident	117 Å²	117	51.8 Å²	51.8	76%	0.76	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.5	176.8	-27.9	35.7	0	0	0	114.2
943	H	69.2	Low	79	Confident	86 Å²	86	52.5 Å²	52.5	40%	0.398	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-11.2	178.4	-55.8	97.7	0	0	0	113.9	M892 F941 P945	M892-H943 HydrophobicContact SD-CB 4.09Å; F941-H943 PolarHBondContact O-N 2.82Å; F941-H943 VanDerWaalsContact O-N 3.11Å; H943-P945 VanDerWaalsContact C-CD 3.47Å
944	L	80.8	Confident	79.5	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	35%	0.346	C	S	.	.	S	Bend	trans	-128.7	62.3	179.5	-59	176.6	0	0	0	110.2	V906 W907 F917 F923 F941 K947 F949	V906-L944 HydrophobicContact CB-CD2 4.18Å; V906-L944 HydrophobicContact CG1-CD2 3.98Å; W907-L944 HydrophobicContact CB-CD2 3.88Å; W907-L944 HydrophobicContact CE3-CD1 4.34Å; W907-L944 HydrophobicContact CE3-CD2 4.37Å; F917-L944 HydrophobicContact CE1-CD1 3.95Å; F917-L944 HydrophobicContact CZ-CD1 3.9Å; F923-L944 HydrophobicContact CD1-CD1 3.95Å; F923-L944 HydrophobicContact CE1-CD1 3.49Å; F923-L944 VanDerWaalsContact CE1-CD1 3.49Å; F923-L944 HydrophobicContact CE1-CG 3.86Å; F923-L944 HydrophobicContact CE2-CD1 4.37Å; F923-L944 HydrophobicContact CZ-CD1 3.73Å; F923-L944 HydrophobicContact CZ-CD2 4.34Å; F923-L944 HydrophobicContact CZ-CG 4.12Å; F941-L944 HydrophobicContact CB-CB 4.26Å; F941-L944 HydrophobicContact CB-CG 4.49Å; F941-L944 HydrophobicContact CD2-CD1 4.14Å; F941-L944 CarbonylContact O-C 3.57Å; F941-L944 PolarHBondContact O-N 2.97Å; L944-K947 PolarHBondContact O-N 3.31Å; L944-F949 HydrophobicContact CB-CE2 4.06Å; L944-F949 HydrophobicContact CB-CZ 4.35Å; L944-F949 HydrophobicContact CD1-CE2 3.89Å; L944-F949 HydrophobicContact CD1-CZ 3.73Å
945	P	71.3	Confident	79.9	Confident	108 Å²	108	58 Å²	58	70%	0.701	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	140.1	-173	27.4	-35.9	0	0	0	112.3	H943 K947	H943-P945 VanDerWaalsContact C-CD 3.47Å; P945-K947 VanDerWaalsContact C-N 3.31Å; P945-K947 PolarHBondContact O-N 3.48Å
946	G	73.2	Confident	80.2	Confident	86 Å²	86	54.8 Å²	54.8	89%	0.887	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	9.5	179	0	0	0	0	0	115.3
947	K	84.6	Confident	80.9	Confident	49 Å²	49	55.8 Å²	55.8	21%	0.213	33%	0.328	C	S	.	.			trans	-116	130.5	171.5	-60.7	-73.4	-174.6	163.9	0	109.6	W907 L944 P945 F949 L960 E975	W907-K947 HydrophobicContact CD2-CD 4.27Å; W907-K947 HydrophobicContact CD2-CG 4.17Å; W907-K947 VanDerWaalsContact CE2-CE 3.49Å; W907-K947 HydrophobicContact CE3-CG 4.36Å; W907-K947 HydrophobicContact CG-CG 4.43Å; W907-K947 HydrophobicContact CZ2-CD 4.34Å; W907-K947 VanDerWaalsContact NE1-CE 3.29Å; W907-K947 VanDerWaalsContact NE1-NZ 3.13Å; L944-K947 PolarHBondContact O-N 3.31Å; P945-K947 VanDerWaalsContact C-N 3.31Å; P945-K947 PolarHBondContact O-N 3.48Å; K947-F949 HydrophobicContact CB-CE2 3.59Å; K947-F949 HydrophobicContact CB-CZ 3.55Å; K947-F949 HydrophobicContact CG-CZ 4.42Å; K947-L960 HydrophobicContact CB-CD1 4.12Å; K947-L960 HydrophobicContact CD-CD1 3.96Å; K947-E975 IonicContact NZ-OE1 3.2Å; K947-E975 PolarHBondContact NZ-OE1 2.81Å
948	T	86.3	Confident	81.4	Confident	44 Å²	44	51.7 Å²	51.7	27%	0.27	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.8	175.1	-53.4	0	0	0	0	109.2	H938 C961	H938-T948 HydrophobicContact CB-CG2 4Å; T948-C961 HydrophobicContact CG2-CB 4.12Å; T948-C961 PolarHBondContact O-N 3.49Å
949	F	89.9	Confident	81.8	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	157.2	-179.8	-59.9	-79	0	0	0	110.3	W907 F917 H938 C939 F941 L944 K947 E959 L960 I970	W907-F949 HydrophobicContact CE3-CE1 4.44Å; W907-F949 HydrophobicContact CE3-CZ 4.02Å; W907-F949 HydrophobicContact CH2-CE1 4.15Å; W907-F949 HydrophobicContact CH2-CZ 4.44Å; W907-F949 AromaticContact CZ3-CE1 3.59Å; W907-F949 HydrophobicContact CZ3-CE1 3.59Å; W907-F949 AromaticContact CZ3-CZ 3.62Å; W907-F949 HydrophobicContact CZ3-CZ 3.62Å; F917-F949 HydrophobicContact CE1-CD1 4.49Å; F917-F949 HydrophobicContact CE1-CE1 4.1Å; F917-F949 HydrophobicContact CE1-CZ 4.41Å; H938-F949 CarbonylContact C-O 3.36Å; H938-F949 WeakPolarHBondContact CA-O 3.47Å; C939-F949 PolarHBondContact N-O 2.98Å; C939-F949 PolarHBondContact O-N 2.74Å; F941-F949 AromaticContact CD2-CD2 3.43Å; F941-F949 HydrophobicContact CD2-CD2 3.43Å; F941-F949 VanDerWaalsContact CD2-CD2 3.43Å; F941-F949 AromaticContact CD2-CE2 3.69Å; F941-F949 HydrophobicContact CD2-CE2 3.69Å; F941-F949 HydrophobicContact CD2-CG 4.19Å; F941-F949 HydrophobicContact CE2-CB 4.18Å; F941-F949 AromaticContact CE2-CD2 3.62Å; F941-F949 HydrophobicContact CE2-CD2 3.62Å; F941-F949 HydrophobicContact CE2-CE2 4.22Å; F941-F949 AromaticContact CE2-CG 3.9Å; F941-F949 HydrophobicContact CE2-CG 3.9Å; L944-F949 HydrophobicContact CB-CE2 4.06Å; L944-F949 HydrophobicContact CB-CZ 4.35Å; L944-F949 HydrophobicContact CD1-CE2 3.89Å; L944-F949 HydrophobicContact CD1-CZ 3.73Å; K947-F949 HydrophobicContact CB-CE2 3.59Å; K947-F949 HydrophobicContact CB-CZ 3.55Å; K947-F949 HydrophobicContact CG-CZ 4.42Å; F949-E959 CarbonylContact C-O 3.39Å; F949-E959 VanDerWaalsContact CA-O 3.31Å; F949-E959 WeakPolarHBondContact CA-O 3.38Å; F949-L960 HydrophobicContact CD1-CD1 4.27Å; F949-L960 HydrophobicContact CE1-CD1 3.81Å; F949-L960 HydrophobicContact CZ-CD1 4.25Å; F949-I970 HydrophobicContact CD1-CD1 3.7Å; F949-I970 HydrophobicContact CE1-CD1 3.7Å
950	V	87.8	Confident	82.3	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.7	175.6	69.4	0	0	0	0	109.3	G936 L958 E959 H967	G936-V950 VanDerWaalsContact C-CG2 3.41Å; V950-L958 CarbonylContact O-C 3.56Å; V950-L958 VanDerWaalsContact O-CA 3.3Å; V950-L958 WeakPolarHBondContact O-CA 3.49Å; V950-E959 HydrophobicContact CG1-CB 3.96Å; V950-E959 PolarHBondContact N-O 3.33Å; V950-E959 PolarHBondContact O-N 3.22Å; V950-H967 HydrophobicContact CG1-CB 3.99Å
951	Y	87.8	Confident	82.6	Confident	27 Å²	27	44.5 Å²	44.5	11%	0.106	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127.1	169.6	173.4	-108.2	0	0	0	110.2	Y924 M933 G936 K937 A953 D956 L958	Y924-Y951 HydrophobicContact CE2-CE2 4Å; M933-Y951 HydrophobicContact CB-CD1 4.05Å; M933-Y951 HydrophobicContact CB-CE1 3.82Å; M933-Y951 HydrophobicContact CB-CE2 4.45Å; M933-Y951 HydrophobicContact CB-CG 4.46Å; M933-Y951 HydrophobicContact CE-CD2 3.62Å; M933-Y951 HydrophobicContact CE-CE2 3.84Å; M933-Y951 HydrophobicContact CE-CG 4.37Å; M933-Y951 HydrophobicContact CG-CD2 4.4Å; M933-Y951 HydrophobicContact CG-CE1 4.47Å; M933-Y951 HydrophobicContact CG-CE2 4.24Å; M933-Y951 HydrophobicContact SD-CD1 4.47Å; M933-Y951 HydrophobicContact SD-CD2 3.78Å; M933-Y951 HydrophobicContact SD-CE2 4.17Å; M933-Y951 HydrophobicContact SD-CG 3.93Å; G936-Y951 PolarHBondContact N-O 2.66Å; K937-Y951 PolarHBondContact O-N 3.4Å; Y951-A953 HydrophobicContact CD1-CB 4.3Å; Y951-A953 HydrophobicContact CE1-CB 3.61Å; Y951-D956 WeakPolarHBondContact CE2-OD1 3.3Å; Y951-D956 PolarHBondContact OH-OD1 3.44Å; Y951-D956 VanDerWaalsContact OH-OD1 3.05Å; Y951-L958 HydrophobicContact CD2-CD2 4.05Å; Y951-L958 HydrophobicContact CG-CD2 4.48Å
952	N	85.4	Confident	82.9	Confident	24 Å²	24	45.9 Å²	45.9	13%	0.128	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	109.5	174.1	177.6	-33.8	0	0	0	108.2	S954 E955 D956 R957 E959	N952-S954 PolarHBondContact OD1-N 2.91Å; N952-S954 VanDerWaalsContact OD1-N 3.14Å; N952-S954 PolarHBondContact OD1-OG 3.05Å; N952-E955 PolarHBondContact OD1-N 3.48Å; N952-E955 VanDerWaalsContact OD1-N 3.15Å; N952-D956 WeakPolarHBondContact O-CA 3.46Å; N952-D956 PolarHBondContact O-N 3.02Å; N952-R957 PolarHBondContact N-O 3Å; N952-R957 PolarHBondContact O-N 3.32Å; N952-E959 HydrophobicContact CB-CG 4.17Å; N952-E959 WeakPolarHBondContact CB-OE2 3.33Å; N952-E959 PolarHBondContact ND2-OE2 2.86Å
953	A	81.4	Confident	83.3	Confident	46 Å²	46	47.2 Å²	47.2	38%	0.38	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-21.7	-174.3	0	0	0	0	0	114	D935 Y951 E955	D935-A953 HydrophobicContact CB-CB 3.63Å; D935-A953 WeakPolarHBondContact OD1-CB 3.48Å; D935-A953 PolarHBondContact OD1-N 3.41Å; Y951-A953 HydrophobicContact CD1-CB 4.3Å; Y951-A953 HydrophobicContact CE1-CB 3.61Å; A953-E955 VanDerWaalsContact C-N 3.27Å
954	S	81.3	Confident	83.2	Confident	101 Å²	101	47.1 Å²	47.1	71%	0.706	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-25.9	173.7	44.1	0	0	0	0	113.1	N952	N952-S954 PolarHBondContact OD1-N 2.91Å; N952-S954 VanDerWaalsContact OD1-N 3.14Å; N952-S954 PolarHBondContact OD1-OG 3.05Å
955	E	80.3	Confident	82.9	Confident	111 Å²	111	48.2 Å²	48.2	52%	0.519	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	7.6	-172.7	-60.6	-89.2	123.8	0	0	113	N952 A953 R957	N952-E955 PolarHBondContact OD1-N 3.48Å; N952-E955 VanDerWaalsContact OD1-N 3.15Å; A953-E955 VanDerWaalsContact C-N 3.27Å; E955-R957 VanDerWaalsContact C-N 3.3Å; E955-R957 HydrophobicContact CB-CG 4.06Å; E955-R957 PolarHBondContact O-N 3.31Å; E955-R957 IonicContact OE2-CZ 3.44Å; E955-R957 VanDerWaalsContact OE2-CZ 3.24Å; E955-R957 IonicContact OE2-NH1 3.79Å; E955-R957 PolarHBondContact OE2-NH1 2.81Å; E955-R957 IonicContact OE2-NH2 2.8Å; E955-R957 PolarHBondContact OE2-NH2 2.77Å; E955-R957 VanDerWaalsContact OE2-NH2 3.08Å
956	D	85.4	Confident	83.5	Confident	40 Å²	40	44.5 Å²	44.5	21%	0.214	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	39.3	49.1	-178.2	-162.6	16.9	0	0	0	115	Q919 Y924 Y951 N952	Q919-D956 PolarHBondContact N-O 2.57Å; Q919-D956 PolarHBondContact NE2-OD2 2.95Å; Y924-D956 WeakPolarHBondContact CE2-O 3.27Å; Y924-D956 WeakPolarHBondContact CE2-OD1 3.4Å; Y924-D956 VanDerWaalsContact CZ-OD1 3.25Å; Y924-D956 PolarHBondContact OH-OD1 3.27Å; Y924-D956 PolarHBondContact OH-OD2 3.42Å; Y951-D956 WeakPolarHBondContact CE2-OD1 3.3Å; Y951-D956 PolarHBondContact OH-OD1 3.44Å; Y951-D956 VanDerWaalsContact OH-OD1 3.05Å; N952-D956 WeakPolarHBondContact O-CA 3.46Å; N952-D956 PolarHBondContact O-N 3.02Å
957	R	87.6	Confident	84.3	Confident	51 Å²	51	45.2 Å²	45.2	19%	0.192	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	164.9	-177.7	66.5	168.4	175	-102	-9.7	113.3	Q918 N952 E955 E959	Q918-R957 HydrophobicContact CG-CB 3.96Å; N952-R957 PolarHBondContact N-O 3Å; N952-R957 PolarHBondContact O-N 3.32Å; E955-R957 VanDerWaalsContact C-N 3.3Å; E955-R957 HydrophobicContact CB-CG 4.06Å; E955-R957 PolarHBondContact O-N 3.31Å; E955-R957 IonicContact OE2-CZ 3.44Å; E955-R957 VanDerWaalsContact OE2-CZ 3.24Å; E955-R957 IonicContact OE2-NH1 3.79Å; E955-R957 PolarHBondContact OE2-NH1 2.81Å; E955-R957 IonicContact OE2-NH2 2.8Å; E955-R957 PolarHBondContact OE2-NH2 2.77Å; E955-R957 VanDerWaalsContact OE2-NH2 3.08Å; R957-E959 HydrophobicContact CG-CG 4.1Å; R957-E959 IonicContact CZ-OE1 3.37Å; R957-E959 IonicContact NE-OE1 3.92Å; R957-E959 PolarHBondContact NE-OE1 3.15Å; R957-E959 IonicContact NH2-OE1 2.66Å; R957-E959 PolarHBondContact NH2-OE1 3.2Å
958	L	87.9	Confident	84.5	Confident	2 Å²	2	44 Å²	44	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	137	166.4	-51.1	-176.2	0	0	0	110.7	F917 F923 M927 M933 F941 V950 Y951 I970	F917-L958 HydrophobicContact CB-CB 4.13Å; F917-L958 HydrophobicContact CD1-CB 4.29Å; F917-L958 HydrophobicContact CD1-CD1 4.3Å; F917-L958 PolarHBondContact O-N 2.84Å; F923-L958 HydrophobicContact CB-CD1 4.23Å; M927-L958 HydrophobicContact CB-CD1 4.37Å; M927-L958 HydrophobicContact SD-CD1 4.33Å; M927-L958 HydrophobicContact SD-CD2 3.35Å; M927-L958 WeakPolarHBondContact SD-CD2 3.29Å; M927-L958 HydrophobicContact SD-CG 4.49Å; M933-L958 HydrophobicContact CE-CD2 4.17Å; F941-L958 HydrophobicContact CE2-CD1 3.99Å; F941-L958 HydrophobicContact CZ-CD1 3.67Å; V950-L958 CarbonylContact O-C 3.56Å; V950-L958 VanDerWaalsContact O-CA 3.3Å; V950-L958 WeakPolarHBondContact O-CA 3.49Å; Y951-L958 HydrophobicContact CD2-CD2 4.05Å; Y951-L958 HydrophobicContact CG-CD2 4.48Å; L958-I970 WeakPolarHBondContact O-CD1 3.33Å
959	E	90.2	Very high	84.5	Confident	11 Å²	11	44.9 Å²	44.9	5%	0.051	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	149	178.4	-61.1	-170.9	138.7	0	0	109.4	F949 V950 N952 R957 C961 H967 F968	F949-E959 CarbonylContact C-O 3.39Å; F949-E959 VanDerWaalsContact CA-O 3.31Å; F949-E959 WeakPolarHBondContact CA-O 3.38Å; V950-E959 HydrophobicContact CG1-CB 3.96Å; V950-E959 PolarHBondContact N-O 3.33Å; V950-E959 PolarHBondContact O-N 3.22Å; N952-E959 HydrophobicContact CB-CG 4.17Å; N952-E959 WeakPolarHBondContact CB-OE2 3.33Å; N952-E959 PolarHBondContact ND2-OE2 2.86Å; R957-E959 HydrophobicContact CG-CG 4.1Å; R957-E959 IonicContact CZ-OE1 3.37Å; R957-E959 IonicContact NE-OE1 3.92Å; R957-E959 PolarHBondContact NE-OE1 3.15Å; R957-E959 IonicContact NH2-OE1 2.66Å; R957-E959 PolarHBondContact NH2-OE1 3.2Å; E959-C961 PolarHBondContact O-N 3.28Å; E959-H967 HydrophobicContact CB-CB 4.34Å; E959-F968 CarbonylContact C-O 3.43Å; E959-F968 WeakPolarHBondContact CA-O 3.3Å; E959-F968 WeakPolarHBondContact CB-O 3.3Å
960	L	90	Very high	84.4	Confident	6 Å²	6	45.5 Å²	45.5	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	120.6	175.9	-179.1	70.7	0	0	0	108.8	W907 K947 F949 V962 H967 F968 I970 V974 V978	W907-L960 HydrophobicContact CH2-CD1 4.1Å; W907-L960 HydrophobicContact CH2-CD2 4.13Å; W907-L960 HydrophobicContact CZ2-CD2 4.05Å; K947-L960 HydrophobicContact CB-CD1 4.12Å; K947-L960 HydrophobicContact CD-CD1 3.96Å; F949-L960 HydrophobicContact CD1-CD1 4.27Å; F949-L960 HydrophobicContact CE1-CD1 3.81Å; F949-L960 HydrophobicContact CZ-CD1 4.25Å; L960-V962 HydrophobicContact CD2-CG2 4.33Å; L960-V962 HydrophobicContact CG-CG2 4.27Å; L960-H967 WeakPolarHBondContact O-CA 3.43Å; L960-F968 PolarHBondContact N-O 2.91Å; L960-F968 PolarHBondContact O-N 2.9Å; L960-I970 HydrophobicContact CB-CG1 4.21Å; L960-V974 HydrophobicContact CB-CG2 4.34Å; L960-V974 HydrophobicContact CD2-CG2 4.11Å; L960-V978 HydrophobicContact CD2-CG2 4.27Å
961	C	87.1	Confident	84.2	Confident	14 Å²	14	46 Å²	46	10%	0.095	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	130.2	175	177.1	0	0	0	0	110.6	H938 T948 E959	H938-C961 PolarHBondContact CD2-SG 2.73Å; H938-C961 PolarHBondContact NE2-SG 3.3Å; T948-C961 HydrophobicContact CG2-CB 4.12Å; T948-C961 PolarHBondContact O-N 3.49Å; E959-C961 PolarHBondContact O-N 3.28Å
962	V	84.9	Confident	83.9	Confident	38 Å²	38	48.3 Å²	48.3	23%	0.23	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	101.7	174	-177.2	0	0	0	0	107.9	L960 A964 A965 G966 F968 V978 V982	L960-V962 HydrophobicContact CD2-CG2 4.33Å; L960-V962 HydrophobicContact CG-CG2 4.27Å; V962-A964 VanDerWaalsContact C-N 3.3Å; V962-A964 PolarHBondContact O-N 3.08Å; V962-A965 HydrophobicContact CB-CB 4.36Å; V962-A965 HydrophobicContact CG1-CB 4.15Å; V962-A965 PolarHBondContact O-N 3.08Å; V962-G966 PolarHBondContact N-O 3.14Å; V962-G966 PolarHBondContact O-N 2.85Å; V962-F968 HydrophobicContact CB-CE2 4.29Å; V962-F968 HydrophobicContact CG2-CD2 4.37Å; V962-F968 HydrophobicContact CG2-CE2 4.47Å; V962-V978 HydrophobicContact CB-CG1 4.46Å; V962-V978 HydrophobicContact CG1-CG1 4.16Å; V962-V978 HydrophobicContact CG2-CG1 3.88Å; V962-V978 HydrophobicContact CG2-CG2 3.79Å; V962-V982 HydrophobicContact CG1-CG2 4.35Å
963	D	77.3	Confident	83.8	Confident	146 Å²	146	52.3 Å²	52.3	78%	0.781	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-31.6	-49.6	-161.1	-48.9	-22.4	0	0	0	117.3
964	A	67.8	Low	84	Confident	84 Å²	84	50.2 Å²	50.2	69%	0.694	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-1.3	-174.4	0	0	0	0	0	114.6	V962	V962-A964 VanDerWaalsContact C-N 3.3Å; V962-A964 PolarHBondContact O-N 3.08Å
965	A	74.6	Confident	84	Confident	24 Å²	24	48.5 Å²	48.5	20%	0.198	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-16.4	-178.9	0	0	0	0	0	113.6	V962 F968 A981 V982	V962-A965 HydrophobicContact CB-CB 4.36Å; V962-A965 HydrophobicContact CG1-CB 4.15Å; V962-A965 PolarHBondContact O-N 3.08Å; A965-F968 HydrophobicContact CB-CE2 4.07Å; A965-F968 HydrophobicContact CB-CZ 4.06Å; A965-F968 WeakPolarHBondContact O-CZ 3.39Å; A965-A981 HydrophobicContact CB-CB 4.38Å; A965-V982 HydrophobicContact CB-CG2 3.64Å
966	G	83.3	Confident	84.2	Confident	31 Å²	31	47.7 Å²	47.7	32%	0.32	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	112.2	-153.9	173.6	0	0	0	0	0	114.1	V962	V962-G966 PolarHBondContact N-O 3.14Å; V962-G966 PolarHBondContact O-N 2.85Å
967	H	89.2	Confident	84	Confident	100 Å²	100	49.7 Å²	49.7	46%	0.463	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.8	-178.1	-53.4	155.6	0	0	0	109.7	H938 V950 E959 L960	H938-H967 AromaticContact NE2-NE2 3.87Å; V950-H967 HydrophobicContact CG1-CB 3.99Å; E959-H967 HydrophobicContact CB-CB 4.34Å; L960-H967 WeakPolarHBondContact O-CA 3.43Å
968	F	89	Confident	83.9	Confident	25 Å²	25	48.4 Å²	48.4	11%	0.11	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.1	-171.1	-61.5	-94.9	0	0	0	111.6	E959 L960 V962 A965 I970 V974 L977 V978 A981	E959-F968 CarbonylContact C-O 3.43Å; E959-F968 WeakPolarHBondContact CA-O 3.3Å; E959-F968 WeakPolarHBondContact CB-O 3.3Å; L960-F968 PolarHBondContact N-O 2.91Å; L960-F968 PolarHBondContact O-N 2.9Å; V962-F968 HydrophobicContact CB-CE2 4.29Å; V962-F968 HydrophobicContact CG2-CD2 4.37Å; V962-F968 HydrophobicContact CG2-CE2 4.47Å; A965-F968 HydrophobicContact CB-CE2 4.07Å; A965-F968 HydrophobicContact CB-CZ 4.06Å; A965-F968 WeakPolarHBondContact O-CZ 3.39Å; F968-I970 PolarHBondContact O-N 2.96Å; F968-V974 HydrophobicContact CB-CG2 3.86Å; F968-L977 HydrophobicContact CD1-CB 4.28Å; F968-V978 HydrophobicContact CB-CG2 4.21Å; F968-V978 HydrophobicContact CD1-CG2 4.06Å; F968-V978 HydrophobicContact CD2-CG2 3.54Å; F968-V978 HydrophobicContact CE1-CG2 4.36Å; F968-V978 HydrophobicContact CE2-CG2 3.89Å; F968-V978 HydrophobicContact CG-CG2 3.65Å; F968-V978 HydrophobicContact CZ-CG2 4.29Å; F968-A981 HydrophobicContact CE1-CB 3.71Å; F968-A981 HydrophobicContact CZ-CB 3.53Å
969	P	86.6	Confident	83.6	Confident	62 Å²	62	54.4 Å²	54.4	40%	0.403	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	135.2	175.9	27.5	-34.7	0	0	0	110.5	G971 V974	P969-G971 PolarHBondContact O-N 3.02Å; P969-V974 VanDerWaalsContact O-CG2 3.29Å; P969-V974 WeakPolarHBondContact O-CG2 3.44Å
970	I	88.2	Confident	83.2	Confident	12 Å²	12	59.3 Å²	59.3	6%	0.062	34%	0.336	C	S	.	.			trans	-78.1	123.1	-175	-59.8	166.4	0	0	0	109.6	W907 K911 P914 F917 F949 L958 L960 F968	W907-I970 HydrophobicContact CH2-CG2 4.16Å; W907-I970 HydrophobicContact CZ3-CG2 4.31Å; K911-I970 HydrophobicContact CB-CG2 4.39Å; P914-I970 WeakPolarHBondContact CB-O 3.45Å; P914-I970 WeakPolarHBondContact CG-O 3.39Å; F917-I970 HydrophobicContact CB-CD1 3.93Å; F917-I970 HydrophobicContact CD1-CD1 3.38Å; F917-I970 HydrophobicContact CD2-CB 4.29Å; F917-I970 HydrophobicContact CD2-CD1 4.05Å; F917-I970 HydrophobicContact CD2-CG2 3.78Å; F917-I970 HydrophobicContact CE1-CD1 3.82Å; F917-I970 HydrophobicContact CE2-CD1 4.42Å; F917-I970 HydrophobicContact CE2-CG2 3.84Å; F917-I970 HydrophobicContact CG-CB 4.43Å; F917-I970 HydrophobicContact CG-CD1 3.51Å; F917-I970 HydrophobicContact CG-CG2 4.35Å; F917-I970 HydrophobicContact CZ-CD1 4.32Å; F917-I970 HydrophobicContact CZ-CG2 4.45Å; F949-I970 HydrophobicContact CD1-CD1 3.7Å; F949-I970 HydrophobicContact CE1-CD1 3.7Å; L958-I970 WeakPolarHBondContact O-CD1 3.33Å; L960-I970 HydrophobicContact CB-CG1 4.21Å; F968-I970 PolarHBondContact O-N 2.96Å
971	G	83.9	Confident	82.6	Confident	12 Å²	12	59.9 Å²	59.9	12%	0.124	34%	0.341	C	S	.	.	S	Bend	trans	-165.1	178	179	0	0	0	0	0	111.2	K911 P969 D973 V974	K911-G971 CarbonylContact O-C 3.49Å; K911-G971 WeakPolarHBondContact O-CA 3.42Å; P969-G971 PolarHBondContact O-N 3.02Å; G971-D973 PolarHBondContact O-N 2.83Å; G971-V974 WeakPolarHBondContact O-CB 3.37Å; G971-V974 WeakPolarHBondContact O-CG1 3.24Å; G971-V974 PolarHBondContact O-N 3.37Å; G971-V974 VanDerWaalsContact O-N 3.16Å
972	P	79.6	Confident	82.3	Confident	75 Å²	75	62.2 Å²	62.2	49%	0.487	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-39.6	-176.5	20.6	-31.7	0	0	0	112.5
973	D	83.9	Confident	82	Confident	108 Å²	108	63.7 Å²	63.7	58%	0.578	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	0.9	-174.3	-41.5	-58.6	0	0	0	113.7	G971 E975 D976 L977	G971-D973 PolarHBondContact O-N 2.83Å; D973-E975 PolarHBondContact O-N 2.82Å; D973-D976 PolarHBondContact O-N 2.94Å; D973-L977 PolarHBondContact O-N 2.84Å
974	V	85.1	Confident	81.8	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.012	35%	0.354	C	S	.	.	H	α-helix	trans	-56.3	-31.2	-173.4	71.9	0	0	0	0	113	W907 K911 L960 F968 P969 G971 V978	W907-V974 HydrophobicContact CH2-CG1 4.3Å; W907-V974 HydrophobicContact CZ2-CG1 3.93Å; K911-V974 HydrophobicContact CB-CG1 4.47Å; L960-V974 HydrophobicContact CB-CG2 4.34Å; L960-V974 HydrophobicContact CD2-CG2 4.11Å; F968-V974 HydrophobicContact CB-CG2 3.86Å; P969-V974 VanDerWaalsContact O-CG2 3.29Å; P969-V974 WeakPolarHBondContact O-CG2 3.44Å; G971-V974 WeakPolarHBondContact O-CB 3.37Å; G971-V974 WeakPolarHBondContact O-CG1 3.24Å; G971-V974 PolarHBondContact O-N 3.37Å; G971-V974 VanDerWaalsContact O-N 3.16Å; V974-V978 WeakPolarHBondContact O-CB 3.3Å; V974-V978 WeakPolarHBondContact O-CG2 3.26Å; V974-V978 PolarHBondContact O-N 2.75Å
975	E	82.9	Confident	82.1	Confident	65 Å²	65	61 Å²	61	30%	0.304	34%	0.34	S	S	.	.	H	α-helix	trans	-80.9	-24.8	-177.8	-61	-171.3	129.5	0	0	113	W907 K911 K947 D973 K979	W907-E975 PolarHBondContact NE1-OE1 2.92Å; K911-E975 HydrophobicContact CD-CG 4.49Å; K911-E975 IonicContact NZ-OE2 3.05Å; K911-E975 PolarHBondContact NZ-OE2 2.97Å; K947-E975 IonicContact NZ-OE1 3.2Å; K947-E975 PolarHBondContact NZ-OE1 2.81Å; D973-E975 PolarHBondContact O-N 2.82Å; E975-K979 WeakPolarHBondContact O-CB 3.44Å; E975-K979 PolarHBondContact O-N 3.44Å
976	D	82.9	Confident	81.9	Confident	93 Å²	93	69.3 Å²	69.3	50%	0.497	37%	0.366	S	S	.	.	H	α-helix	trans	-81.6	-36.6	170.5	-77.5	-58.1	0	0	0	111.3	D973 K979 E980	D973-D976 PolarHBondContact O-N 2.94Å; D976-K979 PolarHBondContact O-N 2.9Å; D976-K979 IonicContact OD1-NZ 2.67Å; D976-K979 PolarHBondContact OD1-NZ 3.03Å; D976-E980 PolarHBondContact O-N 2.85Å
977	L	82.2	Confident	81.1	Confident	83 Å²	83	70.3 Å²	70.3	44%	0.435	37%	0.371	S	S	.	.	H	α-helix	trans	-58.5	-47.3	170.2	-69.7	172.3	0	0	0	112.1	F968 D973 K979 E980 A981	F968-L977 HydrophobicContact CD1-CB 4.28Å; D973-L977 PolarHBondContact O-N 2.84Å; L977-K979 VanDerWaalsContact C-N 3.32Å; L977-K979 PolarHBondContact O-N 3.03Å; L977-E980 PolarHBondContact O-N 3.48Å; L977-A981 WeakPolarHBondContact O-CB 3.27Å; L977-A981 PolarHBondContact O-N 3.48Å
978	V	84.5	Confident	79.7	Confident	23 Å²	23	71.1 Å²	71.1	14%	0.139	38%	0.375	C	S	.	.	H	α-helix	trans	-59.1	-43.6	173.9	161.4	0	0	0	0	111.4	L960 V962 F968 V974 A981 V982	L960-V978 HydrophobicContact CD2-CG2 4.27Å; V962-V978 HydrophobicContact CB-CG1 4.46Å; V962-V978 HydrophobicContact CG1-CG1 4.16Å; V962-V978 HydrophobicContact CG2-CG1 3.88Å; V962-V978 HydrophobicContact CG2-CG2 3.79Å; F968-V978 HydrophobicContact CB-CG2 4.21Å; F968-V978 HydrophobicContact CD1-CG2 4.06Å; F968-V978 HydrophobicContact CD2-CG2 3.54Å; F968-V978 HydrophobicContact CE1-CG2 4.36Å; F968-V978 HydrophobicContact CE2-CG2 3.89Å; F968-V978 HydrophobicContact CG-CG2 3.65Å; F968-V978 HydrophobicContact CZ-CG2 4.29Å; V974-V978 WeakPolarHBondContact O-CB 3.3Å; V974-V978 WeakPolarHBondContact O-CG2 3.26Å; V974-V978 PolarHBondContact O-N 2.75Å; V978-A981 PolarHBondContact O-N 3.25Å; V978-V982 HydrophobicContact CG1-CG2 4.31Å; V978-V982 WeakPolarHBondContact O-CB 3.49Å; V978-V982 WeakPolarHBondContact O-CG2 3.37Å; V978-V982 PolarHBondContact O-N 3Å
979	K	83.2	Confident	78.2	Confident	128 Å²	128	73.4 Å²	73.4	56%	0.557	40%	0.399	S	S	*	.	H	α-helix	trans	-69.6	-34.5	-177.7	172	178.2	150.4	-148.2	0	112.5	E975 D976 L977 S983	E975-K979 WeakPolarHBondContact O-CB 3.44Å; E975-K979 PolarHBondContact O-N 3.44Å; D976-K979 PolarHBondContact O-N 2.9Å; D976-K979 IonicContact OD1-NZ 2.67Å; D976-K979 PolarHBondContact OD1-NZ 3.03Å; L977-K979 VanDerWaalsContact C-N 3.32Å; L977-K979 PolarHBondContact O-N 3.03Å; K979-S983 WeakPolarHBondContact O-CB 3.42Å; K979-S983 PolarHBondContact O-N 3.46Å; K979-S983 PolarHBondContact O-OG 3.31Å
980	E	82	Confident	76.4	Confident	114 Å²	114	75.6 Å²	75.6	53%	0.533	41%	0.411	S	S	.	.	H	α-helix	trans	-66.9	-52.1	170.5	-170.4	178.3	169.1	0	0	110.7	D976 L977 V982 S983 Q984	D976-E980 PolarHBondContact O-N 2.85Å; L977-E980 PolarHBondContact O-N 3.48Å; E980-V982 PolarHBondContact O-N 2.93Å; E980-S983 CarbonylContact O-C 3.44Å; E980-S983 WeakPolarHBondContact O-CA 3.46Å; E980-S983 VanDerWaalsContact O-CB 3.32Å; E980-S983 WeakPolarHBondContact O-CB 3.44Å; E980-S983 PolarHBondContact O-N 3.08Å; E980-Q984 HydrophobicContact CG-CG 4.49Å; E980-Q984 WeakPolarHBondContact O-CG 3.45Å; E980-Q984 PolarHBondContact O-N 2.72Å; E980-Q984 PolarHBondContact OE1-NE2 2.81Å
981	A	77.1	Confident	74.5	Confident	18 Å²	18	80.4 Å²	80.4	15%	0.149	44%	0.441	C	S	.	.	H	α-helix	trans	-59.2	-43.8	179.6	0	0	0	0	0	112.9	A965 F968 L977 V978 S983 Q984 V985	A965-A981 HydrophobicContact CB-CB 4.38Å; F968-A981 HydrophobicContact CE1-CB 3.71Å; F968-A981 HydrophobicContact CZ-CB 3.53Å; L977-A981 WeakPolarHBondContact O-CB 3.27Å; L977-A981 PolarHBondContact O-N 3.48Å; V978-A981 PolarHBondContact O-N 3.25Å; A981-S983 PolarHBondContact O-N 2.95Å; A981-Q984 PolarHBondContact O-N 3.43Å; A981-V985 WeakPolarHBondContact O-CG2 3.42Å; A981-V985 PolarHBondContact O-N 2.84Å
982	V	80	Confident	72.6	Confident	63 Å²	63	89.7 Å²	89.7	38%	0.382	47%	0.473	S	S	.	.	H	α-helix	trans	-60.6	-33.3	173.1	168.5	0	0	0	0	111.6	V962 A965 V978 E980 R986	V962-V982 HydrophobicContact CG1-CG2 4.35Å; A965-V982 HydrophobicContact CB-CG2 3.64Å; V978-V982 HydrophobicContact CG1-CG2 4.31Å; V978-V982 WeakPolarHBondContact O-CB 3.49Å; V978-V982 WeakPolarHBondContact O-CG2 3.37Å; V978-V982 PolarHBondContact O-N 3Å; E980-V982 PolarHBondContact O-N 2.93Å; V982-R986 VanDerWaalsContact O-CB 3.29Å; V982-R986 WeakPolarHBondContact O-CB 3.24Å; V982-R986 PolarHBondContact O-N 3.02Å; V982-R986 VanDerWaalsContact O-N 3.15Å
983	S	78.9	Confident	70.6	Confident	70 Å²	70	91 Å²	91	49%	0.49	48%	0.484	S	S	.	.	H	α-helix	trans	-73.8	-38.9	176.4	-58.7	0	0	0	0	112.2	K979 E980 A981 R986 A987	K979-S983 WeakPolarHBondContact O-CB 3.42Å; K979-S983 PolarHBondContact O-N 3.46Å; K979-S983 PolarHBondContact O-OG 3.31Å; E980-S983 CarbonylContact O-C 3.44Å; E980-S983 WeakPolarHBondContact O-CA 3.46Å; E980-S983 VanDerWaalsContact O-CB 3.32Å; E980-S983 WeakPolarHBondContact O-CB 3.44Å; E980-S983 PolarHBondContact O-N 3.08Å; A981-S983 PolarHBondContact O-N 2.95Å; S983-R986 PolarHBondContact O-N 3.36Å; S983-A987 PolarHBondContact O-N 3.44Å
984	Q	73.3	Confident	68.5	Low	108 Å²	108	96.8 Å²	96.8	51%	0.505	50%	0.497	S	S	.	.	H	α-helix	trans	-64.7	-50.3	174.6	-66.7	179.3	9.7	0	0	111.3	E980 A981 R986 A987 E988	E980-Q984 HydrophobicContact CG-CG 4.49Å; E980-Q984 WeakPolarHBondContact O-CG 3.45Å; E980-Q984 PolarHBondContact O-N 2.72Å; E980-Q984 PolarHBondContact OE1-NE2 2.81Å; A981-Q984 PolarHBondContact O-N 3.43Å; Q984-R986 PolarHBondContact O-N 2.91Å; Q984-A987 WeakPolarHBondContact O-CA 3.3Å; Q984-A987 WeakPolarHBondContact O-CB 3.21Å; Q984-A987 PolarHBondContact O-N 2.84Å; Q984-E988 PolarHBondContact O-N 3.4Å
985	V	73.5	Confident	65.9	Low	65 Å²	65	105.6 Å²	105.6	39%	0.394	54%	0.538	S	S	.	.	H	α-helix	trans	-56.1	-37.4	175.3	170.6	0	0	0	0	111.6	A981 A989	A981-V985 WeakPolarHBondContact O-CG2 3.42Å; A981-V985 PolarHBondContact O-N 2.84Å; V985-A989 WeakPolarHBondContact O-CB 3.33Å; V985-A989 PolarHBondContact O-N 3.34Å
986	R	71.1	Confident	63.4	Low	198 Å²	198	107.9 Å²	107.9	75%	0.747	56%	0.562	S	S	*	*	H	α-helix	trans	-68.3	-35.9	175.9	-164.5	177.5	-159.8	160.7	5.5	112.9	V982 S983 Q984 T990	V982-R986 VanDerWaalsContact O-CB 3.29Å; V982-R986 WeakPolarHBondContact O-CB 3.24Å; V982-R986 PolarHBondContact O-N 3.02Å; V982-R986 VanDerWaalsContact O-N 3.15Å; S983-R986 PolarHBondContact O-N 3.36Å; Q984-R986 PolarHBondContact O-N 2.91Å; R986-T990 PolarHBondContact O-N 3.26Å; R986-T990 PolarHBondContact O-OG1 3.42Å
987	A	66.2	Low	60.8	Low	52 Å²	52	108.9 Å²	108.9	43%	0.43	58%	0.576	S	S	.	*	H	α-helix	trans	-71	-43.2	176.4	0	0	0	0	0	112	S983 Q984 A989 T990 T991	S983-A987 PolarHBondContact O-N 3.44Å; Q984-A987 WeakPolarHBondContact O-CA 3.3Å; Q984-A987 WeakPolarHBondContact O-CB 3.21Å; Q984-A987 PolarHBondContact O-N 2.84Å; A987-A989 VanDerWaalsContact C-N 3.32Å; A987-A989 PolarHBondContact O-N 2.74Å; A987-T990 WeakPolarHBondContact CA-OG1 3.41Å; A987-T990 PolarHBondContact O-N 3.12Å; A987-T990 VanDerWaalsContact O-N 3.15Å; A987-T990 PolarHBondContact O-OG1 2.88Å; A987-T991 PolarHBondContact O-N 3.23Å
988	E	60.5	Low	58.8	Low	117 Å²	117	110.4 Å²	110.4	55%	0.547	59%	0.591	S	S	.	*	H	α-helix	trans	-64.8	-35.3	175.8	-66.4	-163.9	146.2	0	0	112.7	Q984 T990 T991 R992	Q984-E988 PolarHBondContact O-N 3.4Å; E988-T990 PolarHBondContact O-N 3.29Å; E988-T991 PolarHBondContact O-N 2.94Å; E988-T991 PolarHBondContact O-OG1 3Å; E988-T991 VanDerWaalsContact O-OG1 3.12Å; E988-R992 PolarHBondContact O-N 3.03Å
989	A	56.7	Low	56.2	Low	73 Å²	73	113.6 Å²	113.6	60%	0.603	61%	0.614	S	S	*	*	H	α-helix	trans	-61.6	-32.5	173.4	0	0	0	0	0	112.6	V985 A987	V985-A989 WeakPolarHBondContact O-CB 3.33Å; V985-A989 PolarHBondContact O-N 3.34Å; A987-A989 VanDerWaalsContact C-N 3.32Å; A987-A989 PolarHBondContact O-N 2.74Å
990	T	49.2	Very low	53.7	Low	108 Å²	108	116.6 Å²	116.6	66%	0.663	63%	0.63	S	S	*	*	H	α-helix	trans	-77	-27.2	174.6	30.1	0	0	0	0	114.5	R986 A987 E988	R986-T990 PolarHBondContact O-N 3.26Å; R986-T990 PolarHBondContact O-OG1 3.42Å; A987-T990 WeakPolarHBondContact CA-OG1 3.41Å; A987-T990 PolarHBondContact O-N 3.12Å; A987-T990 VanDerWaalsContact O-N 3.15Å; A987-T990 PolarHBondContact O-OG1 2.88Å; E988-T990 PolarHBondContact O-N 3.29Å
991	T	47	Very low	51	Low	113 Å²	113	114.6 Å²	114.6	69%	0.693	64%	0.64	S	S	*	*	H	α-helix	trans	-84.9	-20.9	-175.8	52.8	0	0	0	0	114.1	A987 E988 S993	A987-T991 PolarHBondContact O-N 3.23Å; E988-T991 PolarHBondContact O-N 2.94Å; E988-T991 PolarHBondContact O-OG1 3Å; E988-T991 VanDerWaalsContact O-OG1 3.12Å; T991-S993 VanDerWaalsContact C-N 3.32Å; T991-S993 PolarHBondContact O-N 2.92Å
992	R	45.1	Very low	48.6	Very low	208 Å²	208	121.1 Å²	121.1	79%	0.785	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	8.8	178.2	-66.9	-171.6	179	-177	3.4	115.3	E988 R994	E988-R992 PolarHBondContact O-N 3.03Å; R992-R994 VanDerWaalsContact C-N 3.29Å; R992-R994 PolarHBondContact O-N 3.25Å; R992-R994 VanDerWaalsContact O-N 3.14Å
993	S	37.9	Very low	46	Very low	103 Å²	103	125.8 Å²	125.8	72%	0.72	69%	0.693	S	S	*	*			trans	-87	44.3	-176.7	-172.9	0	0	0	0	114.3	T991	T991-S993 VanDerWaalsContact C-N 3.32Å; T991-S993 PolarHBondContact O-N 2.92Å
994	R	39.2	Very low	43.5	Very low	229 Å²	229	132.3 Å²	132.3	86%	0.864	71%	0.713	S	S	*	*			trans	-149.3	141.2	168.2	-109.5	176.9	-179.5	-179.1	-1.5	111.4	R992	R992-R994 VanDerWaalsContact C-N 3.29Å; R992-R994 PolarHBondContact O-N 3.25Å; R992-R994 VanDerWaalsContact O-N 3.14Å
995	E	31.1	Very low	41.4	Very low	186 Å²	186	135.4 Å²	135.4	87%	0.869	73%	0.732	S	S	*	*	S	Bend	trans	88.4	123.1	173.5	-56.7	-176.5	174.8	0	0	118.6
996	S	28.9	Very low	39.1	Very low	114 Å²	114	136.2 Å²	136.2	80%	0.797	75%	0.753	S	S	*	*			trans	10.1	127.2	166.1	54.1	0	0	0	0	123
997	S	28.9	Very low	36.9	Very low	114 Å²	114	133 Å²	133	80%	0.797	76%	0.761	S	S	*	*			trans	-76.2	158.5	146.2	-46.3	0	0	0	0	110.9
998	P	40.8	Very low	35.1	Very low	115 Å²	115	133.9 Å²	133.9	75%	0.747	78%	0.775	S	S	*	*				-149.1	144.2	89.2	38.7	-21.7	0	0	0	118.5
999	S	28.7	Very low	33.5	Very low	89 Å²	89	132 Å²	132	62%	0.622	79%	0.788	S	S	*	*			trans	56.4	137.6	141	67.1	0	0	0	0	124.8
1000	H	30.7	Very low	32	Very low	191 Å²	191	134.9 Å²	134.9	88%	0.884	80%	0.797	S	S	*	*			trans	66	139	170.7	-48.2	-77.2	0	0	0	114.9
1001	G	25.5	Very low	30.9	Very low	72 Å²	72	136.8 Å²	136.8	74%	0.742	81%	0.809	S	S	*	*			cis	140.3	126.6	9.5	0	0	0	0	0	106.4
1002	L	26.5	Very low	29.8	Very low	156 Å²	156	140.3 Å²	140.3	82%	0.817	81%	0.814	S	S	*	*				-165.2	168	52.1	-150.4	73.3	0	0	0	110.7
1003	L	26.6	Very low	29.3	Very low	161 Å²	161	140.5 Å²	140.5	84%	0.843	82%	0.821	S	S	*	*			trans	53.2	117.8	163.5	-54.4	-178.2	0	0	0	120
1004	K	26.9	Very low	28.6	Very low	206 Å²	206	145.4 Å²	145.4	90%	0.896	83%	0.829	S	S	*	*			trans	-127.8	132.6	154.6	-172.6	174	-177.3	177.6	0	109.3	G1006	K1004-G1006 PolarHBondContact O-N 3.31Å
1005	L	28	Very low	28.1	Very low	174 Å²	174	139 Å²	139	91%	0.911	82%	0.82	S	S	*	*			trans	-64.7	128.4	174.7	-116.9	67	0	0	0	110.1
1006	G	25.3	Very low	27.8	Very low	81 Å²	81	139.2 Å²	139.2	84%	0.835	82%	0.821	S	S	*	*			trans	-95.3	117.7	-178.3	0	0	0	0	0	112.6	K1004	K1004-G1006 PolarHBondContact O-N 3.31Å
1007	S	25.7	Very low	27.7	Very low	130 Å²	130	141 Å²	141	91%	0.909	82%	0.816	S	S	*	*			trans	-143.8	150.5	164.8	-170.9	0	0	0	0	109
1008	G	28.1	Very low	27.5	Very low	71 Å²	71	144 Å²	144	73%	0.732	82%	0.823	S	S	*	*			trans	79.6	71.1	177.7	0	0	0	0	0	115.5
1009	G	25.6	Very low	26.9	Very low	79 Å²	79	145.3 Å²	145.3	81%	0.814	82%	0.818	S	S	*	*			trans	-81.6	121.1	171.9	0	0	0	0	0	113
1010	V	25.3	Very low	26.8	Very low	132 Å²	132	148.6 Å²	148.6	80%	0.8	83%	0.829	S	S	*	*			trans	-73	126.7	174.6	174	0	0	0	0	111.1
1011	V	26.4	Very low	26.6	Very low	149 Å²	149	146.1 Å²	146.1	90%	0.903	83%	0.827	S	S	*	*			trans	-88.9	108.2	170.7	-178.9	0	0	0	0	110.3
1012	K	24.2	Very low	26.5	Very low	187 Å²	187	147.6 Å²	147.6	81%	0.813	82%	0.822	S	S	*	*			trans	-104.3	135.5	179.2	-160.4	175.3	-171.5	175.3	0	109.7	K1014	K1012-K1014 PolarHBondContact O-N 3.08Å; K1012-K1014 VanDerWaalsContact O-N 3.11Å
1013	K	34.5	Very low	26.4	Very low	211 Å²	211	144.7 Å²	144.7	92%	0.917	82%	0.82	S	S	*	*			trans	-66.2	108.2	172.9	-78.4	-175.5	174.8	-179.2	0	110.9
1014	K	24.1	Very low	26.4	Very low	206 Å²	206	146 Å²	146	90%	0.896	82%	0.819	S	S	*	*			trans	-159.3	165.2	142.3	-128	-173.5	178	-170.6	0	112.7	K1012	K1012-K1014 PolarHBondContact O-N 3.08Å; K1012-K1014 VanDerWaalsContact O-N 3.11Å
1015	S	27.4	Very low	26.6	Very low	95 Å²	95	144.9 Å²	144.9	66%	0.664	82%	0.818	S	S	*	*			trans	-87.9	131.8	-174.3	51.4	0	0	0	0	113.8
1016	E	24.9	Very low	26.4	Very low	191 Å²	191	139.7 Å²	139.7	89%	0.893	81%	0.806	S	S	*	*			trans	-129.3	121.6	145.5	-64.6	-179.4	158	0	0	103.8
1017	Q	26.7	Very low	26.7	Very low	150 Å²	150	144.4 Å²	144.4	70%	0.701	80%	0.803	S	S	*	*			cis	67.9	41.6	49.3	-139.8	174	-9	0	0	114.1	H1019	Q1017-H1019 VanDerWaalsContact C-N 3.29Å; Q1017-H1019 PolarHBondContact NE2-NE2 3.23Å; Q1017-H1019 PolarHBondContact O-N 3.46Å
1018	L	25.1	Very low	26.7	Very low	179 Å²	179	141.7 Å²	141.7	94%	0.937	80%	0.796	S	S	*	*			trans	-64.2	90.7	150.3	-90.9	166.8	0	0	0	109.9	N1020	L1018-N1020 PolarHBondContact O-N 2.84Å; L1018-N1020 VanDerWaalsContact O-N 3.17Å
1019	H	27.6	Very low	26.6	Very low	142 Å²	142	146.3 Å²	146.3	66%	0.657	80%	0.798	S	S	*	*			trans	-69.2	103.8	164.5	-87	-63.1	0	0	0	109.6	Q1017	Q1017-H1019 VanDerWaalsContact C-N 3.29Å; Q1017-H1019 PolarHBondContact NE2-NE2 3.23Å; Q1017-H1019 PolarHBondContact O-N 3.46Å
1020	N	27.4	Very low	26.8	Very low	157 Å²	157	147 Å²	147	84%	0.84	79%	0.791	S	S	*	*			trans	-169.8	50.7	145.6	-97.5	-17.3	0	0	0	113.3	L1018	L1018-N1020 PolarHBondContact O-N 2.84Å; L1018-N1020 VanDerWaalsContact O-N 3.17Å
1021	V	26.2	Very low	26.9	Very low	140 Å²	140	149.7 Å²	149.7	85%	0.848	80%	0.8	S	S	*	*			trans	-128.8	108.8	151	-178	0	0	0	0	107.3	A1023	V1021-A1023 PolarHBondContact O-N 3.38Å
1022	T	23.8	Very low	26.9	Very low	102 Å²	102	146 Å²	146	63%	0.626	79%	0.793	S	S	*	*			trans	-67.5	127.3	174.3	-46.7	0	0	0	0	108.8	F1024	T1022-F1024 WeakPolarHBondContact O-CD2 3.48Å; T1022-F1024 PolarHBondContact O-N 3.23Å
1023	A	25.6	Very low	27.3	Very low	96 Å²	96	144.4 Å²	144.4	79%	0.793	80%	0.798	S	S	*	*			trans	-68.1	96.4	172.1	0	0	0	0	0	109.3	V1021 Q1025	V1021-A1023 PolarHBondContact O-N 3.38Å; A1023-Q1025 PolarHBondContact O-N 3.11Å
1024	F	25.3	Very low	26.9	Very low	187 Å²	187	139.4 Å²	139.4	82%	0.82	80%	0.796	S	S	*	*			trans	-72.1	121.7	-175.7	-95.3	-85.8	0	0	0	111.8	T1022 G1026	T1022-F1024 WeakPolarHBondContact O-CD2 3.48Å; T1022-F1024 PolarHBondContact O-N 3.23Å; F1024-G1026 PolarHBondContact O-N 3.2Å
1025	Q	31.4	Very low	27.2	Very low	184 Å²	184	135.6 Å²	135.6	86%	0.86	80%	0.796	S	S	*	*			trans	-76.6	80.8	178.2	-67.4	-180	-16.9	0	0	111.2	A1023 K1027	A1023-Q1025 PolarHBondContact O-N 3.11Å; Q1025-K1027 PolarHBondContact O-N 3.03Å
1026	G	24.7	Very low	27.1	Very low	65 Å²	65	134.8 Å²	134.8	67%	0.67	80%	0.803	S	S	*	*			trans	-69	110.3	166.6	0	0	0	0	0	110.9	F1024 G1028	F1024-G1026 PolarHBondContact O-N 3.2Å; G1026-G1028 PolarHBondContact O-N 3.48Å
1027	K	30.5	Very low	27	Very low	179 Å²	179	133.3 Å²	133.3	78%	0.778	80%	0.801	S	S	*	*			trans	-76.1	89	177.6	-75.5	-175.9	176.7	178.1	0	111.7	Q1025 H1029	Q1025-K1027 PolarHBondContact O-N 3.03Å; K1027-H1029 PolarHBondContact O-N 3.26Å
1028	G	26.5	Very low	28	Very low	74 Å²	74	131 Å²	131	76%	0.763	80%	0.799	S	S	*	*			trans	-72	103.7	165.2	0	0	0	0	0	111.3	G1026 S1030	G1026-G1028 PolarHBondContact O-N 3.48Å; G1028-S1030 PolarHBondContact O-N 3Å
1029	H	26.4	Very low	28	Very low	167 Å²	167	130.3 Å²	130.3	77%	0.773	79%	0.79	S	S	*	*			trans	-78.6	117.9	173.7	-82	-97	0	0	0	110.6	K1027	K1027-H1029 PolarHBondContact O-N 3.26Å
1030	S	28.2	Very low	27.9	Very low	93 Å²	93	130.7 Å²	130.7	65%	0.65	80%	0.797	S	S	*	*			trans	-68.3	144.3	164.9	-72.8	0	0	0	0	110.4	G1028 G1032	G1028-S1030 PolarHBondContact O-N 3Å; S1030-G1032 PolarHBondContact O-N 3.42Å; S1030-G1032 VanDerWaalsContact O-N 3.1Å
1031	L	28.5	Very low	27.7	Very low	189 Å²	189	130.2 Å²	130.2	99%	0.99	79%	0.794	S	S	*	*			trans	-55.9	113.4	177	-66.9	171.9	0	0	0	111
1032	G	26.3	Very low	28.6	Very low	73 Å²	73	127.5 Å²	127.5	75%	0.753	78%	0.779	S	S	*	*			trans	-119.6	126.8	175.5	0	0	0	0	0	110.5	S1030	S1030-G1032 PolarHBondContact O-N 3.42Å; S1030-G1032 VanDerWaalsContact O-N 3.1Å
1033	T	33.2	Very low	28.8	Very low	152 Å²	152	133.8 Å²	133.8	93%	0.933	79%	0.791	S	S	*	*			trans	-80.8	118.8	-178.3	49.8	0	0	0	0	112
1034	A	24.9	Very low	28.8	Very low	106 Å²	106	133.3 Å²	133.3	88%	0.876	79%	0.787	S	S	*	*			trans	-153.6	154.4	163.5	0	0	0	0	0	110.7
1035	S	30.3	Very low	29.1	Very low	127 Å²	127	135.5 Å²	135.5	89%	0.888	79%	0.79	S	S	*	*			trans	-107	160.9	178.1	54.6	0	0	0	0	111.5
1036	G	24.9	Very low	28.8	Very low	78 Å²	78	135.4 Å²	135.4	80%	0.804	79%	0.79	S	S	*	*			trans	144.1	105.3	167.2	0	0	0	0	0	115.5
1037	N	23.9	Very low	28.9	Very low	159 Å²	159	138 Å²	138	85%	0.85	79%	0.793	S	S	*	*			trans	-111.7	165	155.6	-139.8	13.4	0	0	0	105.8
1038	P	46.8	Very low	28.7	Very low	102 Å²	102	134.1 Å²	134.1	66%	0.662	79%	0.788	S	S	*	*			cis	-141.9	-168.5	10.6	39.9	-18.4	0	0	0	116.5
1039	H	25.6	Very low	28.8	Very low	165 Å²	165	136.9 Å²	136.9	76%	0.764	79%	0.79	S	S	*	*			trans	117	147.6	133.3	-136.7	-118.1	0	0	0	119
1040	L	25.9	Very low	28.7	Very low	150 Å²	150	134.1 Å²	134.1	79%	0.785	78%	0.784	S	S	*	*			trans	80.4	76.5	169.4	-56.3	-178.5	0	0	0	120.9
1041	D	23	Very low	28.7	Very low	146 Å²	146	140.4 Å²	140.4	78%	0.781	79%	0.794	S	S	*	*			trans	-59	175.5	135	-154.3	38.1	0	0	0	110.1
1042	P	45.7	Very low	28.5	Very low	83 Å²	83	140.5 Å²	140.5	54%	0.539	79%	0.786	S	S	.	*			cis	-153.8	-176.3	17	49.8	-29.6	0	0	0	120.8
1043	R	27.6	Very low	28.5	Very low	234 Å²	234	145 Å²	145	88%	0.883	79%	0.788	S	S	*	*			trans	83	148.8	156.6	-67	165.1	-168.6	-173.7	2.9	118.4
1044	A	26	Very low	28	Very low	86 Å²	86	144.3 Å²	144.3	71%	0.711	78%	0.778	S	S	*	*			cis	-132.7	140	13.1	0	0	0	0	0	112.7
1045	R	31	Very low	28	Very low	233 Å²	233	145.2 Å²	145.2	88%	0.879	77%	0.773	S	S	*	*				54.6	137.7	106.6	-74.1	-172.8	168.9	-179	-4.3	115.9
1046	E	25.4	Very low	27.7	Very low	182 Å²	182	142.4 Å²	142.4	85%	0.85	76%	0.764	S	S	*	*			cis	-136.8	172.8	45.8	-72.9	-173.2	131.2	0	0	118.2
1047	T	26.7	Very low	27.8	Very low	120 Å²	120	144.4 Å²	144.4	74%	0.736	76%	0.761	S	S	*	*			trans	-29.6	132.6	174.7	41.7	0	0	0	0	118.4
1048	S	26.3	Very low	27.8	Very low	97 Å²	97	142.9 Å²	142.9	68%	0.678	75%	0.753	S	S	*	*				71.9	127.9	58	78.8	0	0	0	0	114.7
1049	V	27.3	Very low	26.8	Very low	132 Å²	132	146.6 Å²	146.6	80%	0.8	76%	0.758	S	S	*	*				-170.8	160.7	79.7	163.7	0	0	0	0	107.3
1050	V	25.9	Very low	26.7	Very low	109 Å²	109	143.1 Å²	143.1	66%	0.661	75%	0.753	S	S	*	*			cis	166.1	136.9	-30.3	140.1	0	0	0	0	108.7
1051	R	27	Very low	26.6	Very low	225 Å²	225	143.3 Å²	143.3	85%	0.849	76%	0.755	S	S	*	*			trans	71.8	157.4	166.5	-81.8	166.4	175.8	156	-1.3	118.6
1052	K	24.4	Very low	26.7	Very low	191 Å²	191	141 Å²	141	83%	0.83	75%	0.75	S	S	*	*			cis	-149.5	168.5	17.6	-141.8	170.8	-176.4	-175.9	0	114.2
1053	H	25.9	Very low	25.7	Very low	168 Å²	168	141.4 Å²	141.4	78%	0.778	76%	0.755	S	S	*	*			trans	-77.2	156	-177.6	-63.9	-129.5	0	0	0	115.7
1054	N	23.4	Very low	25.6	Very low	138 Å²	138	136.1 Å²	136.1	74%	0.738	75%	0.748	S	S	*	*				167.1	121.6	113.3	-97.4	15.4	0	0	0	111.6
1055	T	25.1	Very low	25.5	Very low	125 Å²	125	141.3 Å²	141.3	77%	0.767	76%	0.755	S	S	*	*				70.5	126.7	82.2	64.9	0	0	0	0	117.7
1056	G	23.9	Very low	25.3	Very low	67 Å²	67	137.4 Å²	137.4	69%	0.691	76%	0.757	S	S	*	*			trans	115.5	136.7	169.1	0	0	0	0	0	113.1
1057	T	26.6	Very low	25.3	Very low	121 Å²	121	137.6 Å²	137.6	74%	0.742	76%	0.758	S	S	*	*			cis	150.7	112.9	-10.8	31.5	0	0	0	0	106.6
1058	D	25.3	Very low	25.5	Very low	127 Å²	127	137.7 Å²	137.7	68%	0.679	76%	0.761	S	S	*	*			trans	91.3	144.4	134.1	-52.7	-18.1	0	0	0	125
1059	F	24.1	Very low	25.3	Very low	179 Å²	179	138.8 Å²	138.8	79%	0.785	77%	0.768	S	S	*	*			trans	77	96.4	153.9	-58.3	-50.6	0	0	0	124
1060	S	24.6	Very low	25.4	Very low	92 Å²	92	138.4 Å²	138.4	64%	0.643	77%	0.766	S	S	*	*				83	131.5	110.5	-60.8	0	0	0	0	123.2
1061	N	24	Very low	25.3	Very low	154 Å²	154	142.6 Å²	142.6	82%	0.824	78%	0.776	S	S	*	*			trans	63.8	140.5	143.8	-65.6	-7.4	0	0	0	118.9
1062	S	25.1	Very low	25.3	Very low	98 Å²	98	137.4 Å²	137.4	69%	0.685	77%	0.769	S	S	*	*			cis	-167.4	178.9	3.1	50.8	0	0	0	0	112.2
1063	S	24.9	Very low	25.4	Very low	91 Å²	91	132.4 Å²	132.4	64%	0.636	76%	0.764	S	S	*	*			trans	61.7	86.5	146.1	55.5	0	0	0	0	121.1
1064	T	23.9	Very low	25.4	Very low	123 Å²	123	130.1 Å²	130.1	76%	0.755	77%	0.767	S	S	*	*				51.6	126.3	119.2	56.8	0	0	0	0	123.2
1065	K	25.6	Very low	25.6	Very low	196 Å²	196	129.2 Å²	129.2	85%	0.852	77%	0.771	S	S	*	*			trans	68.1	109	141.9	-67.3	-175.9	175.8	-171.6	0	120.2
1066	T	24.9	Very low	26.1	Very low	150 Å²	150	128.7 Å²	128.7	92%	0.92	77%	0.773	S	S	*	*				-149	166.5	112.4	-21.2	0	0	0	0	110
1067	E	25.9	Very low	26.3	Very low	186 Å²	186	133 Å²	133	87%	0.869	78%	0.78	S	S	*	*			trans	-92.6	170.5	-171.1	-95.1	-177.4	171.9	0	0	114.3
1068	P	31.7	Very low	26.7	Very low	122 Å²	122	131.4 Å²	131.4	79%	0.792	77%	0.774	S	S	*	*			trans	-99.4	172.6	-152.4	39	-38.4	0	0	0	115.7
1069	S	22.2	Very low	27.1	Very low	120 Å²	120	131.4 Å²	131.4	84%	0.839	77%	0.769	S	S	*	*			trans	-136.1	154.9	154.7	65.8	0	0	0	0	111.7
1070	V	28.1	Very low	27.5	Very low	125 Å²	125	128.3 Å²	128.3	76%	0.758	76%	0.761	S	S	*	*			trans	-82.6	140.1	-164.7	169.8	0	0	0	0	112.5
1071	F	25	Very low	28	Very low	196 Å²	196	127.4 Å²	127.4	86%	0.86	75%	0.748	S	S	*	*			trans	-158.6	161.3	130.1	-112	-73.5	0	0	0	113.5
1072	T	26.4	Very low	28.8	Very low	116 Å²	116	122.8 Å²	122.8	71%	0.712	72%	0.719	S	S	*	*			trans	-79.7	147	-164.1	53.6	0	0	0	0	115.7
1073	A	26.2	Very low	29.2	Very low	87 Å²	87	123.2 Å²	123.2	72%	0.719	71%	0.712	S	S	*	*				161.4	123.7	108.1	0	0	0	0	0	114.3
1074	S	27.5	Very low	29.4	Very low	120 Å²	120	120.7 Å²	120.7	84%	0.839	70%	0.697	S	S	*	*			trans	16.6	117.1	152.4	58.6	0	0	0	0	121.3
1075	S	25.7	Very low	29.8	Very low	119 Å²	119	119 Å²	119	83%	0.832	69%	0.688	S	S	*	*			trans	-134.1	151.2	133.1	-171.3	0	0	0	0	109.1	N1077	S1075-N1077 PolarHBondContact O-N 3.33Å
1076	S	35.7	Very low	30.2	Very low	114 Å²	114	113 Å²	113	80%	0.797	68%	0.682	S	S	*	*			trans	-85.8	104.9	-169	56	0	0	0	0	112.9
1077	N	30	Very low	30.6	Very low	157 Å²	157	109.3 Å²	109.3	84%	0.84	66%	0.659	S	S	*	*			trans	-101.6	126.7	160.9	-80.4	-10.7	0	0	0	109.9	S1075 E1079	S1075-N1077 PolarHBondContact O-N 3.33Å; N1077-E1079 PolarHBondContact O-N 3.48Å
1078	S	33.9	Very low	31	Very low	87 Å²	87	103.5 Å²	103.5	61%	0.608	64%	0.636	S	S	*	*			trans	-77.1	101.5	173.1	52	0	0	0	0	109.9	M1090	S1078-M1090 WeakPolarHBondContact OG-CE 3.3Å
1079	E	32.9	Very low	31.1	Very low	127 Å²	127	100.2 Å²	100.2	59%	0.593	61%	0.614	S	S	*	*			trans	-71	134.6	-178	-166.5	168.6	-136	0	0	112.1	N1077	N1077-E1079 PolarHBondContact O-N 3.48Å
1080	L	34.2	Very low	31.7	Very low	114 Å²	114	99.9 Å²	99.9	60%	0.597	60%	0.6	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95	117.4	-176	-80.1	168.8	0	0	0	109.9	V1088 M1090	L1080-V1088 HydrophobicContact CB-CG1 3.62Å; L1080-V1088 HydrophobicContact CD2-CG1 3.69Å; L1080-V1088 HydrophobicContact CG-CG1 4.14Å; L1080-M1090 HydrophobicContact CD2-CG 4.36Å; L1080-M1090 HydrophobicContact CD2-SD 3.5Å; L1080-M1090 VanDerWaalsContact CD2-SD 3.5Å; L1080-M1090 HydrophobicContact CG-SD 4.3Å
1081	I	35.1	Very low	32	Very low	74 Å²	74	102.8 Å²	102.8	38%	0.379	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.5	122.1	-175.3	-58.7	178.9	0	0	0	110	T1089 R1091	I1081-T1089 PolarHBondContact N-O 2.77Å; I1081-T1089 PolarHBondContact O-N 2.93Å; I1081-T1089 PolarHBondContact O-OG1 3.32Å; I1081-R1091 HydrophobicContact CD1-CB 4.46Å
1082	R	39.2	Very low	32.4	Very low	57 Å²	57	100 Å²	100	22%	0.215	59%	0.592	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.5	125	178.1	176.8	158.6	-71.7	-170.4	-1.8	110.8	E264 A1084 V1087	E264-R1082 VanDerWaalsContact CD-NH2 3.35Å; E264-R1082 IonicContact OE1-CZ 3.94Å; E264-R1082 IonicContact OE1-NH1 3.66Å; E264-R1082 PolarHBondContact OE1-NH1 2.89Å; E264-R1082 IonicContact OE1-NH2 3.61Å; E264-R1082 PolarHBondContact OE1-NH2 3.33Å; E264-R1082 IonicContact OE2-CZ 3.86Å; E264-R1082 IonicContact OE2-NH1 3.41Å; E264-R1082 PolarHBondContact OE2-NH1 3.15Å; E264-R1082 IonicContact OE2-NH2 2.68Å; R1082-A1084 WeakPolarHBondContact CG-O 3.3Å; R1082-V1087 WeakPolarHBondContact CA-O 3.35Å
1083	I	33.2	Very low	32.9	Very low	107 Å²	107	98 Å²	98	55%	0.549	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.7	-24.9	-176.3	-55.7	-178.5	0	0	0	111.7	V1087 T1089	I1083-V1087 PolarHBondContact N-O 3.12Å; I1083-V1087 VanDerWaalsContact N-O 3.13Å; I1083-T1089 HydrophobicContact CD1-CG2 3.83Å; I1083-T1089 HydrophobicContact CG1-CG2 4.47Å
1084	A	31	Very low	33.5	Very low	38 Å²	38	104.3 Å²	104.3	31%	0.314	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-151.7	165	175.3	0	0	0	0	0	110.4	R1082 G1086 V1087	R1082-A1084 WeakPolarHBondContact CG-O 3.3Å; A1084-G1086 PolarHBondContact O-N 2.74Å; A1084-V1087 HydrophobicContact CB-CB 4.17Å; A1084-V1087 HydrophobicContact CB-CG2 4.23Å; A1084-V1087 PolarHBondContact O-N 3.1Å
1085	P	32.4	Very low	33.8	Very low	86 Å²	86	106.7 Å²	106.7	56%	0.558	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.4	122	172.1	-26.2	35.7	0	0	0	111.4	V1087	P1085-V1087 VanDerWaalsContact C-N 3.32Å; P1085-V1087 PolarHBondContact O-N 3.01Å
1086	G	33.9	Very low	34.7	Very low	70 Å²	70	107.3 Å²	107.3	72%	0.722	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	75	9.7	-177.3	0	0	0	0	0	115.9	A1084	A1084-G1086 PolarHBondContact O-N 2.74Å
1087	V	32.3	Very low	35	Very low	73 Å²	73	106.1 Å²	106.1	44%	0.442	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.3	117.2	179.3	-175.8	0	0	0	0	111.2	R1082 I1083 A1084 P1085	R1082-V1087 WeakPolarHBondContact CA-O 3.35Å; I1083-V1087 PolarHBondContact N-O 3.12Å; I1083-V1087 VanDerWaalsContact N-O 3.13Å; A1084-V1087 HydrophobicContact CB-CB 4.17Å; A1084-V1087 HydrophobicContact CB-CG2 4.23Å; A1084-V1087 PolarHBondContact O-N 3.1Å; P1085-V1087 VanDerWaalsContact C-N 3.32Å; P1085-V1087 PolarHBondContact O-N 3.01Å
1088	V	34	Very low	35.7	Very low	64 Å²	64	102.5 Å²	102.5	39%	0.388	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.9	139.9	179.6	-170.7	0	0	0	0	109.1	L1080	L1080-V1088 HydrophobicContact CB-CG1 3.62Å; L1080-V1088 HydrophobicContact CD2-CG1 3.69Å; L1080-V1088 HydrophobicContact CG-CG1 4.14Å
1089	T	34.1	Very low	36.4	Very low	54 Å²	54	104.4 Å²	104.4	33%	0.331	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.6	152.7	179.6	65.7	0	0	0	0	111.7	I1081 I1083	I1081-T1089 PolarHBondContact N-O 2.77Å; I1081-T1089 PolarHBondContact O-N 2.93Å; I1081-T1089 PolarHBondContact O-OG1 3.32Å; I1083-T1089 HydrophobicContact CD1-CG2 3.83Å; I1083-T1089 HydrophobicContact CG1-CG2 4.47Å
1090	M	34	Very low	37.1	Very low	113 Å²	113	103 Å²	103	56%	0.557	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83	141.2	170.3	-65.2	-72.4	-92.3	0	0	109.4	S1078 L1080 D1092	S1078-M1090 WeakPolarHBondContact OG-CE 3.3Å; L1080-M1090 HydrophobicContact CD2-CG 4.36Å; L1080-M1090 HydrophobicContact CD2-SD 3.5Å; L1080-M1090 VanDerWaalsContact CD2-SD 3.5Å; L1080-M1090 HydrophobicContact CG-SD 4.3Å; M1090-D1092 PolarHBondContact O-N 3.42Å
1091	R	36.3	Very low	37.6	Very low	185 Å²	185	100.8 Å²	100.8	70%	0.698	55%	0.55	S	S	*	*			trans	-67.3	96.1	175.2	-171.5	179.1	-170.2	161.6	3	110.8	I1081	I1081-R1091 HydrophobicContact CD1-CB 4.46Å
1092	D	32.9	Very low	38.5	Very low	138 Å²	138	102.2 Å²	102.2	74%	0.738	56%	0.556	S	S	*	*			trans	-65.8	136.6	-174.4	-165.4	9.8	0	0	0	112.6	M1090 R1094	M1090-D1092 PolarHBondContact O-N 3.42Å; D1092-R1094 PolarHBondContact O-N 2.84Å
1093	G	36.5	Very low	39.3	Very low	73 Å²	73	102.1 Å²	102.1	75%	0.753	57%	0.567	S	S	*	*	S	Bend	trans	-79.9	33.4	-159.3	0	0	0	0	0	115.9
1094	R	38.3	Very low	39.8	Very low	220 Å²	220	103.1 Å²	103.1	83%	0.83	57%	0.569	S	S	*	*			trans	-105.7	75.4	179.5	-62.9	-170.2	-172.8	-159.1	1	111.5	D1092 L1096	D1092-R1094 PolarHBondContact O-N 2.84Å; R1094-L1096 PolarHBondContact O-N 3.17Å
1095	Q	35.3	Very low	40.7	Very low	170 Å²	170	108.6 Å²	108.6	79%	0.794	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-58.3	132.3	159.3	-75.5	-177.2	-24.3	0	0	108.9
1096	L	43.1	Very low	42	Very low	133 Å²	133	110.7 Å²	110.7	70%	0.696	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-64	134.6	153.3	-74.6	166.5	0	0	0	107	R1094 V1101	R1094-L1096 PolarHBondContact O-N 3.17Å; L1096-V1101 HydrophobicContact CB-CG2 3.9Å
1097	D	42.3	Very low	43.1	Very low	89 Å²	89	114.2 Å²	114.2	48%	0.476	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-46	120	-177.5	175.4	1.9	0	0	0	111.1	D1099 L1100 V1101	D1097-D1099 PolarHBondContact O-N 2.98Å; D1097-D1099 PolarHBondContact OD1-N 3.2Å; D1097-L1100 HydrophobicContact CB-CB 3.8Å; D1097-L1100 WeakPolarHBondContact O-CA 3.4Å; D1097-L1100 WeakPolarHBondContact O-CB 3.37Å; D1097-L1100 PolarHBondContact O-N 3.21Å; D1097-V1101 PolarHBondContact O-N 3.23Å
1098	P	44.3	Very low	43.7	Very low	80 Å²	80	115.7 Å²	115.7	52%	0.519	58%	0.583	S	S	.	*	H	α-helix	trans	-54.5	-36.9	179.7	-27.5	35.9	0	0	0	113.1	L1100 V1101 E1102	P1098-L1100 VanDerWaalsContact C-N 3.33Å; P1098-L1100 PolarHBondContact O-N 3.42Å; P1098-V1101 PolarHBondContact O-N 3.46Å; P1098-E1102 WeakPolarHBondContact O-CB 3.23Å; P1098-E1102 PolarHBondContact O-N 2.97Å
1099	D	48.4	Very low	44.6	Very low	128 Å²	128	118.7 Å²	118.7	68%	0.684	59%	0.592	S	S	*	*	H	α-helix	trans	-70.5	-32.4	178.1	-75.2	-24.3	0	0	0	111.3	D1097 A1103	D1097-D1099 PolarHBondContact O-N 2.98Å; D1097-D1099 PolarHBondContact OD1-N 3.2Å; D1099-A1103 WeakPolarHBondContact O-CB 3.42Å; D1099-A1103 PolarHBondContact O-N 3.49Å
1100	L	47.6	Very low	45.8	Very low	96 Å²	96	121.6 Å²	121.6	50%	0.503	60%	0.602	S	S	.	*	H	α-helix	trans	-69.7	-39.3	172.3	-171.1	69.3	0	0	0	111.6	D1097 P1098 Q1104	D1097-L1100 HydrophobicContact CB-CB 3.8Å; D1097-L1100 WeakPolarHBondContact O-CA 3.4Å; D1097-L1100 WeakPolarHBondContact O-CB 3.37Å; D1097-L1100 PolarHBondContact O-N 3.21Å; P1098-L1100 VanDerWaalsContact C-N 3.33Å; P1098-L1100 PolarHBondContact O-N 3.42Å; L1100-Q1104 WeakPolarHBondContact O-CB 3.36Å; L1100-Q1104 PolarHBondContact O-N 3.41Å
1101	V	45.1	Very low	46.5	Very low	68 Å²	68	121.3 Å²	121.3	41%	0.412	60%	0.601	S	S	.	*	H	α-helix	trans	-70.4	-42.9	177.1	176.6	0	0	0	0	111.1	L1096 D1097 P1098 Q1104 R1105	L1096-V1101 HydrophobicContact CB-CG2 3.9Å; D1097-V1101 PolarHBondContact O-N 3.23Å; P1098-V1101 PolarHBondContact O-N 3.46Å; V1101-Q1104 PolarHBondContact O-N 2.9Å; V1101-R1105 WeakPolarHBondContact O-CB 3.25Å; V1101-R1105 PolarHBondContact O-N 2.9Å
1102	E	54.6	Low	47.3	Very low	105 Å²	105	116.7 Å²	116.7	49%	0.491	59%	0.593	S	S	.	*	H	α-helix	trans	-67.7	-38.3	175.8	-155.6	76.5	-106.1	0	0	110.7	P1098 R1105 K1106	P1098-E1102 WeakPolarHBondContact O-CB 3.23Å; P1098-E1102 PolarHBondContact O-N 2.97Å; E1102-R1105 PolarHBondContact O-N 3.47Å; E1102-R1105 WeakPolarHBondContact OE1-CD 3.1Å; E1102-R1105 IonicContact OE1-CZ 3.62Å; E1102-R1105 IonicContact OE1-NE 3.62Å; E1102-R1105 IonicContact OE1-NH1 2.95Å; E1102-R1105 PolarHBondContact OE1-NH1 3.34Å; E1102-K1106 WeakPolarHBondContact O-CB 3.4Å; E1102-K1106 PolarHBondContact O-N 3.05Å
1103	A	56.2	Low	48.6	Very low	55 Å²	55	113.6 Å²	113.6	46%	0.455	58%	0.582	S	S	.	*	H	α-helix	trans	-64.5	-41.7	171.2	0	0	0	0	0	112.3	D1099 K1106 K1107	D1099-A1103 WeakPolarHBondContact O-CB 3.42Å; D1099-A1103 PolarHBondContact O-N 3.49Å; A1103-K1106 PolarHBondContact O-N 3.38Å; A1103-K1107 WeakPolarHBondContact O-CB 3.29Å; A1103-K1107 PolarHBondContact O-N 3.17Å
1104	Q	43.4	Very low	49.5	Very low	127 Å²	127	113.9 Å²	113.9	59%	0.593	57%	0.572	S	S	*	*	H	α-helix	trans	-69	-37.7	177.7	-169.9	170.4	5.7	0	0	111.5	L1100 V1101 K1107 L1108	L1100-Q1104 WeakPolarHBondContact O-CB 3.36Å; L1100-Q1104 PolarHBondContact O-N 3.41Å; V1101-Q1104 PolarHBondContact O-N 2.9Å; Q1104-K1107 PolarHBondContact O-N 3.47Å; Q1104-L1108 WeakPolarHBondContact O-CB 3.41Å; Q1104-L1108 PolarHBondContact O-N 2.99Å
1105	R	49.8	Very low	50.4	Low	153 Å²	153	107.8 Å²	107.8	58%	0.577	56%	0.556	S	S	*	*	H	α-helix	trans	-63.6	-49.1	172.1	-172.7	-166.2	-161.1	177.1	6.4	111.4	V1101 E1102 K1107 L1108 Q1109	V1101-R1105 WeakPolarHBondContact O-CB 3.25Å; V1101-R1105 PolarHBondContact O-N 2.9Å; E1102-R1105 PolarHBondContact O-N 3.47Å; E1102-R1105 WeakPolarHBondContact OE1-CD 3.1Å; E1102-R1105 IonicContact OE1-CZ 3.62Å; E1102-R1105 IonicContact OE1-NE 3.62Å; E1102-R1105 IonicContact OE1-NH1 2.95Å; E1102-R1105 PolarHBondContact OE1-NH1 3.34Å; R1105-K1107 VanDerWaalsContact C-N 3.32Å; R1105-K1107 PolarHBondContact O-N 3.46Å; R1105-L1108 CarbonylContact O-C 3.55Å; R1105-L1108 WeakPolarHBondContact O-CA 3.41Å; R1105-L1108 VanDerWaalsContact O-CB 3.3Å; R1105-L1108 WeakPolarHBondContact O-CB 3.43Å; R1105-L1108 PolarHBondContact O-N 3.2Å; R1105-L1108 VanDerWaalsContact O-N 3.1Å; R1105-Q1109 WeakPolarHBondContact O-CB 3.48Å; R1105-Q1109 PolarHBondContact O-N 3.16Å
1106	K	59.8	Low	51.3	Low	130 Å²	130	104.3 Å²	104.3	57%	0.565	54%	0.539	S	S	*	.	H	α-helix	trans	-60.6	-41.1	176.4	-174.6	174.9	179.6	179.2	0	111.5	E1102 A1103 L1108 Q1109 E1110	E1102-K1106 WeakPolarHBondContact O-CB 3.4Å; E1102-K1106 PolarHBondContact O-N 3.05Å; A1103-K1106 PolarHBondContact O-N 3.38Å; K1106-L1108 VanDerWaalsContact C-N 3.35Å; K1106-Q1109 CarbonylContact O-C 3.4Å; K1106-Q1109 PolarHBondContact O-N 3.31Å; K1106-Q1109 VanDerWaalsContact O-N 3.15Å; K1106-E1110 WeakPolarHBondContact O-CB 3.39Å; K1106-E1110 WeakPolarHBondContact O-CG 3.48Å; K1106-E1110 PolarHBondContact O-N 3.32Å
1107	K	56.4	Low	52.1	Low	144 Å²	144	100.5 Å²	100.5	63%	0.626	53%	0.527	S	S	*	.	H	α-helix	trans	-67.2	-32.8	174	-164.5	171.2	-170.1	172.9	0	112.7	A1103 Q1104 R1105 M1111	A1103-K1107 WeakPolarHBondContact O-CB 3.29Å; A1103-K1107 PolarHBondContact O-N 3.17Å; Q1104-K1107 PolarHBondContact O-N 3.47Å; R1105-K1107 VanDerWaalsContact C-N 3.32Å; R1105-K1107 PolarHBondContact O-N 3.46Å; K1107-M1111 VanDerWaalsContact O-CB 3.25Å; K1107-M1111 WeakPolarHBondContact O-CB 3.27Å; K1107-M1111 PolarHBondContact O-N 3.04Å
1108	L	44.8	Very low	52.9	Low	105 Å²	105	99.9 Å²	99.9	55%	0.55	53%	0.53	S	S	.	.	H	α-helix	trans	-67.7	-39.3	169.2	-136.1	82	0	0	0	111.3	Q1104 R1105 K1106 M1111 V1112	Q1104-L1108 WeakPolarHBondContact O-CB 3.41Å; Q1104-L1108 PolarHBondContact O-N 2.99Å; R1105-L1108 CarbonylContact O-C 3.55Å; R1105-L1108 WeakPolarHBondContact O-CA 3.41Å; R1105-L1108 VanDerWaalsContact O-CB 3.3Å; R1105-L1108 WeakPolarHBondContact O-CB 3.43Å; R1105-L1108 PolarHBondContact O-N 3.2Å; R1105-L1108 VanDerWaalsContact O-N 3.1Å; K1106-L1108 VanDerWaalsContact C-N 3.35Å; L1108-M1111 CarbonylContact O-C 3.18Å; L1108-M1111 WeakPolarHBondContact O-CB 3.47Å; L1108-M1111 PolarHBondContact O-N 3.34Å; L1108-V1112 WeakPolarHBondContact O-CG2 3.48Å; L1108-V1112 PolarHBondContact O-N 2.98Å
1109	Q	54.5	Low	53.1	Low	126 Å²	126	101 Å²	101	59%	0.589	53%	0.529	S	S	*	.	H	α-helix	trans	-72.5	-39.9	-178.6	-155.3	162.3	6.9	0	0	111.2	R1105 K1106 M1111 V1112 S1113	R1105-Q1109 WeakPolarHBondContact O-CB 3.48Å; R1105-Q1109 PolarHBondContact O-N 3.16Å; K1106-Q1109 CarbonylContact O-C 3.4Å; K1106-Q1109 PolarHBondContact O-N 3.31Å; K1106-Q1109 VanDerWaalsContact O-N 3.15Å; Q1109-M1111 VanDerWaalsContact C-N 3.34Å; Q1109-V1112 PolarHBondContact O-N 3.04Å; Q1109-S1113 WeakPolarHBondContact O-CB 3.46Å; Q1109-S1113 PolarHBondContact O-N 3.18Å; Q1109-S1113 PolarHBondContact O-OG 3.31Å; Q1109-S1113 VanDerWaalsContact O-OG 3.13Å
1110	E	57.7	Low	53.5	Low	116 Å²	116	97.9 Å²	97.9	54%	0.542	51%	0.513	S	S	.	.	H	α-helix	trans	-61.5	-38.9	166.8	-73.6	168.3	-173.5	0	0	111.6	K1106 S1114	K1106-E1110 WeakPolarHBondContact O-CB 3.39Å; K1106-E1110 WeakPolarHBondContact O-CG 3.48Å; K1106-E1110 PolarHBondContact O-N 3.32Å; E1110-S1114 WeakPolarHBondContact O-CB 3.19Å; E1110-S1114 PolarHBondContact O-N 3.37Å
1111	M	49.2	Very low	54.1	Low	106 Å²	106	101.6 Å²	101.6	52%	0.522	52%	0.52	S	S	.	.	H	α-helix	trans	-67.1	-42.4	174.8	-170.6	-174.5	-55.8	0	0	112.1	K1107 L1108 Q1109 S1114 I1115	K1107-M1111 VanDerWaalsContact O-CB 3.25Å; K1107-M1111 WeakPolarHBondContact O-CB 3.27Å; K1107-M1111 PolarHBondContact O-N 3.04Å; L1108-M1111 CarbonylContact O-C 3.18Å; L1108-M1111 WeakPolarHBondContact O-CB 3.47Å; L1108-M1111 PolarHBondContact O-N 3.34Å; Q1109-M1111 VanDerWaalsContact C-N 3.34Å; M1111-S1114 WeakPolarHBondContact O-CB 3.34Å; M1111-S1114 PolarHBondContact O-N 3.22Å; M1111-I1115 HydrophobicContact CG-CD1 4.15Å; M1111-I1115 VanDerWaalsContact O-CG1 3.27Å; M1111-I1115 WeakPolarHBondContact O-CG1 3.38Å; M1111-I1115 PolarHBondContact O-N 3.18Å
1112	V	53.7	Low	54.3	Low	88 Å²	88	103.5 Å²	103.5	53%	0.533	52%	0.524	S	S	.	.	H	α-helix	trans	-66.9	-41.7	174.9	169	0	0	0	0	111	L1108 Q1109 S1114 I1115 Q1116	L1108-V1112 WeakPolarHBondContact O-CG2 3.48Å; L1108-V1112 PolarHBondContact O-N 2.98Å; Q1109-V1112 PolarHBondContact O-N 3.04Å; V1112-S1114 VanDerWaalsContact C-N 3.3Å; V1112-S1114 PolarHBondContact O-N 3.38Å; V1112-I1115 PolarHBondContact O-N 3.43Å; V1112-Q1116 WeakPolarHBondContact O-CB 3.3Å; V1112-Q1116 PolarHBondContact O-N 3.18Å
1113	S	59.2	Low	54	Low	74 Å²	74	103.1 Å²	103.1	52%	0.517	53%	0.525	S	S	.	.	H	α-helix	trans	-64.5	-33.4	172.1	-67	0	0	0	0	112.5	Q1109 A1117	Q1109-S1113 WeakPolarHBondContact O-CB 3.46Å; Q1109-S1113 PolarHBondContact O-N 3.18Å; Q1109-S1113 PolarHBondContact O-OG 3.31Å; Q1109-S1113 VanDerWaalsContact O-OG 3.13Å; S1113-A1117 WeakPolarHBondContact O-CB 3.3Å; S1113-A1117 PolarHBondContact O-N 2.89Å
1114	S	56.8	Low	53.7	Low	78 Å²	78	108.3 Å²	108.3	55%	0.545	53%	0.533	S	S	.	.	H	α-helix	trans	-69.8	-41	173.4	-174.3	0	0	0	0	111.9	E1110 M1111 V1112 A1117 S1118	E1110-S1114 WeakPolarHBondContact O-CB 3.19Å; E1110-S1114 PolarHBondContact O-N 3.37Å; M1111-S1114 WeakPolarHBondContact O-CB 3.34Å; M1111-S1114 PolarHBondContact O-N 3.22Å; V1112-S1114 VanDerWaalsContact C-N 3.3Å; V1112-S1114 PolarHBondContact O-N 3.38Å; S1114-A1117 PolarHBondContact O-N 2.91Å; S1114-S1118 WeakPolarHBondContact O-CB 3.48Å; S1114-S1118 PolarHBondContact O-N 3.23Å
1115	I	55.4	Low	53.8	Low	93 Å²	93	106 Å²	106	48%	0.477	53%	0.525	S	S	.	.	H	α-helix	trans	-64.2	-45.4	173.2	-69.9	162.3	0	0	0	110.4	M1111 V1112 S1118 M1119	M1111-I1115 HydrophobicContact CG-CD1 4.15Å; M1111-I1115 VanDerWaalsContact O-CG1 3.27Å; M1111-I1115 WeakPolarHBondContact O-CG1 3.38Å; M1111-I1115 PolarHBondContact O-N 3.18Å; V1112-I1115 PolarHBondContact O-N 3.43Å; I1115-S1118 WeakPolarHBondContact O-CB 3.34Å; I1115-S1118 PolarHBondContact O-N 3.07Å; I1115-M1119 HydrophobicContact CG2-SD 4.42Å; I1115-M1119 WeakPolarHBondContact O-CG 3.43Å; I1115-M1119 PolarHBondContact O-N 3.41Å
1116	Q	55.2	Low	53.5	Low	96 Å²	96	103.5 Å²	103.5	45%	0.449	52%	0.519	S	S	.	.	H	α-helix	trans	-63.7	-45.2	176.5	-170.2	64.4	54.5	0	0	111.3	V1112 S1118 M1119 D1120	V1112-Q1116 WeakPolarHBondContact O-CB 3.3Å; V1112-Q1116 PolarHBondContact O-N 3.18Å; Q1116-S1118 VanDerWaalsContact C-N 3.28Å; Q1116-S1118 PolarHBondContact O-N 3.06Å; Q1116-M1119 PolarHBondContact O-N 2.74Å; Q1116-D1120 PolarHBondContact NE2-OD1 3.11Å; Q1116-D1120 WeakPolarHBondContact O-CB 3.43Å; Q1116-D1120 VanDerWaalsContact O-CG 3.26Å; Q1116-D1120 PolarHBondContact O-N 3.28Å
1117	A	59.6	Low	52.5	Low	54 Å²	54	101.6 Å²	101.6	45%	0.446	52%	0.522	S	S	.	.	H	α-helix	trans	-66.4	-29.2	175.6	0	0	0	0	0	112.9	S1113 S1114 R1121	S1113-A1117 WeakPolarHBondContact O-CB 3.3Å; S1113-A1117 PolarHBondContact O-N 2.89Å; S1114-A1117 PolarHBondContact O-N 2.91Å; A1117-R1121 VanDerWaalsContact O-CB 3.23Å; A1117-R1121 WeakPolarHBondContact O-CB 3.45Å; A1117-R1121 PolarHBondContact O-N 3.31Å
1118	S	60.1	Low	51.7	Low	76 Å²	76	99.1 Å²	99.1	53%	0.531	52%	0.52	S	S	.	.	H	α-helix	trans	-71.8	-40.9	172.4	-169.7	0	0	0	0	111.3	S1114 I1115 Q1116 R1121 H1122	S1114-S1118 WeakPolarHBondContact O-CB 3.48Å; S1114-S1118 PolarHBondContact O-N 3.23Å; I1115-S1118 WeakPolarHBondContact O-CB 3.34Å; I1115-S1118 PolarHBondContact O-N 3.07Å; Q1116-S1118 VanDerWaalsContact C-N 3.28Å; Q1116-S1118 PolarHBondContact O-N 3.06Å; S1118-R1121 PolarHBondContact O-N 2.97Å; S1118-H1122 VanDerWaalsContact O-CB 3.29Å; S1118-H1122 WeakPolarHBondContact O-CB 3.41Å; S1118-H1122 PolarHBondContact O-N 2.99Å
1119	M	47.3	Very low	51.3	Low	103 Å²	103	102.1 Å²	102.1	51%	0.507	53%	0.531	S	S	.	.	H	α-helix	trans	-65.7	-45.7	171.9	-74	-177.1	63.4	0	0	111.9	I1115 Q1116 R1121 H1122 L1123	I1115-M1119 HydrophobicContact CG2-SD 4.42Å; I1115-M1119 WeakPolarHBondContact O-CG 3.43Å; I1115-M1119 PolarHBondContact O-N 3.41Å; Q1116-M1119 PolarHBondContact O-N 2.74Å; M1119-R1121 PolarHBondContact O-N 2.81Å; M1119-H1122 PolarHBondContact O-N 2.8Å; M1119-L1123 VanDerWaalsContact O-CB 3.3Å; M1119-L1123 WeakPolarHBondContact O-CB 3.1Å; M1119-L1123 VanDerWaalsContact O-CG 3.23Å; M1119-L1123 WeakPolarHBondContact O-CG 3.3Å; M1119-L1123 PolarHBondContact O-N 3.12Å
1120	D	57.9	Low	50.4	Low	62 Å²	62	105 Å²	105	33%	0.332	54%	0.544	S	S	.	.	H	α-helix	trans	-66.5	-22.9	176.9	-71.8	9.1	0	0	0	112.9	Q1116 R1124	Q1116-D1120 PolarHBondContact NE2-OD1 3.11Å; Q1116-D1120 WeakPolarHBondContact O-CB 3.43Å; Q1116-D1120 VanDerWaalsContact O-CG 3.26Å; Q1116-D1120 PolarHBondContact O-N 3.28Å; D1120-R1124 WeakPolarHBondContact O-CG 3.4Å; D1120-R1124 PolarHBondContact O-NE 3.28Å
1121	R	58.8	Low	49.2	Very low	174 Å²	174	103.5 Å²	103.5	66%	0.657	55%	0.547	S	S	*	.	H	α-helix	trans	-79	-50.9	168.9	-173	178.2	-65.7	171.4	-0.1	110.1	A1117 S1118 M1119 L1123 R1124 D1125	A1117-R1121 VanDerWaalsContact O-CB 3.23Å; A1117-R1121 WeakPolarHBondContact O-CB 3.45Å; A1117-R1121 PolarHBondContact O-N 3.31Å; S1118-R1121 PolarHBondContact O-N 2.97Å; M1119-R1121 PolarHBondContact O-N 2.81Å; R1121-L1123 VanDerWaalsContact C-N 3.26Å; R1121-L1123 PolarHBondContact O-N 3.14Å; R1121-R1124 CarbonylContact O-C 3.54Å; R1121-R1124 WeakPolarHBondContact O-CA 3.37Å; R1121-R1124 WeakPolarHBondContact O-CB 3.22Å; R1121-R1124 PolarHBondContact O-N 2.99Å; R1121-D1125 PolarHBondContact O-N 3.15Å
1122	H	51.1	Low	48.5	Very low	109 Å²	109	105 Å²	105	51%	0.505	56%	0.564	S	S	.	*	H	α-helix	trans	-61.2	-32.7	179.1	-165.5	50.1	0	0	0	113.1	S1118 M1119 D1125 Q1126	S1118-H1122 VanDerWaalsContact O-CB 3.29Å; S1118-H1122 WeakPolarHBondContact O-CB 3.41Å; S1118-H1122 PolarHBondContact O-N 2.99Å; M1119-H1122 PolarHBondContact O-N 2.8Å; H1122-D1125 PolarHBondContact O-N 3.23Å; H1122-Q1126 PolarHBondContact CD2-NE2 3.05Å; H1122-Q1126 VanDerWaalsContact CD2-NE2 3.28Å; H1122-Q1126 PolarHBondContact NE2-NE2 3Å; H1122-Q1126 WeakPolarHBondContact O-CB 3.48Å; H1122-Q1126 VanDerWaalsContact O-CG 3.26Å; H1122-Q1126 WeakPolarHBondContact O-CG 3.34Å; H1122-Q1126 PolarHBondContact O-N 3.4Å
1123	L	47.8	Very low	47.5	Very low	97 Å²	97	105.7 Å²	105.7	51%	0.508	57%	0.573	S	S	.	*	H	α-helix	trans	-71.2	-30.5	171.7	-72.5	167.7	0	0	0	112.6	M1119 R1121 S1127	M1119-L1123 VanDerWaalsContact O-CB 3.3Å; M1119-L1123 WeakPolarHBondContact O-CB 3.1Å; M1119-L1123 VanDerWaalsContact O-CG 3.23Å; M1119-L1123 WeakPolarHBondContact O-CG 3.3Å; M1119-L1123 PolarHBondContact O-N 3.12Å; R1121-L1123 VanDerWaalsContact C-N 3.26Å; R1121-L1123 PolarHBondContact O-N 3.14Å; L1123-S1127 WeakPolarHBondContact O-CB 3.37Å; L1123-S1127 PolarHBondContact O-N 2.95Å; L1123-S1127 VanDerWaalsContact O-N 3.14Å; L1123-S1127 PolarHBondContact O-OG 3.13Å
1124	R	49.2	Very low	46.5	Very low	164 Å²	164	109.2 Å²	109.2	62%	0.619	59%	0.586	S	S	*	*	H	α-helix	trans	-73.5	-40.6	170.3	-83.6	179.5	-105.8	-152	-9.2	111.9	D1120 R1121 S1127 T1128	D1120-R1124 WeakPolarHBondContact O-CG 3.4Å; D1120-R1124 PolarHBondContact O-NE 3.28Å; R1121-R1124 CarbonylContact O-C 3.54Å; R1121-R1124 WeakPolarHBondContact O-CA 3.37Å; R1121-R1124 WeakPolarHBondContact O-CB 3.22Å; R1121-R1124 PolarHBondContact O-N 2.99Å; R1124-S1127 WeakPolarHBondContact CA-OG 3.37Å; R1124-S1127 CarbonylContact O-C 3.55Å; R1124-S1127 PolarHBondContact O-N 3.47Å; R1124-S1127 PolarHBondContact O-OG 3.19Å; R1124-T1128 PolarHBondContact O-N 3.12Å; R1124-T1128 PolarHBondContact O-OG1 3.08Å
1125	D	45.2	Very low	45.3	Very low	78 Å²	78	113.4 Å²	113.4	42%	0.417	60%	0.602	S	S	.	*	H	α-helix	trans	-63.6	-48.3	176	-55.3	-28.1	0	0	0	109.8	R1121 H1122 S1127 T1128 E1129	R1121-D1125 PolarHBondContact O-N 3.15Å; H1122-D1125 PolarHBondContact O-N 3.23Å; D1125-S1127 VanDerWaalsContact C-N 3.28Å; D1125-S1127 PolarHBondContact O-N 3.39Å; D1125-T1128 WeakPolarHBondContact O-CA 3.36Å; D1125-T1128 WeakPolarHBondContact O-CB 3.33Å; D1125-T1128 PolarHBondContact O-N 3.01Å; D1125-E1129 PolarHBondContact O-N 3.39Å
1126	Q	44	Very low	45	Very low	100 Å²	100	113.9 Å²	113.9	47%	0.467	61%	0.61	S	S	.	*	H	α-helix	trans	-61.8	-29	174.2	-75.3	-177.7	21.6	0	0	114.1	H1122 T1128	H1122-Q1126 PolarHBondContact CD2-NE2 3.05Å; H1122-Q1126 VanDerWaalsContact CD2-NE2 3.28Å; H1122-Q1126 PolarHBondContact NE2-NE2 3Å; H1122-Q1126 WeakPolarHBondContact O-CB 3.48Å; H1122-Q1126 VanDerWaalsContact O-CG 3.26Å; H1122-Q1126 WeakPolarHBondContact O-CG 3.34Å; H1122-Q1126 PolarHBondContact O-N 3.4Å; Q1126-T1128 VanDerWaalsContact C-N 3.34Å
1127	S	39.8	Very low	43.7	Very low	90 Å²	90	116.8 Å²	116.8	63%	0.629	62%	0.624	S	S	*	*	H	α-helix	trans	-86.3	-3.8	172.6	48.9	0	0	0	0	113.9	L1123 R1124 D1125	L1123-S1127 WeakPolarHBondContact O-CB 3.37Å; L1123-S1127 PolarHBondContact O-N 2.95Å; L1123-S1127 VanDerWaalsContact O-N 3.14Å; L1123-S1127 PolarHBondContact O-OG 3.13Å; R1124-S1127 WeakPolarHBondContact CA-OG 3.37Å; R1124-S1127 CarbonylContact O-C 3.55Å; R1124-S1127 PolarHBondContact O-N 3.47Å; R1124-S1127 PolarHBondContact O-OG 3.19Å; D1125-S1127 VanDerWaalsContact C-N 3.28Å; D1125-S1127 PolarHBondContact O-N 3.39Å
1128	T	38	Very low	42.2	Very low	93 Å²	93	124.6 Å²	124.6	57%	0.571	64%	0.642	S	S	*	*	H	α-helix	trans	-95.1	-33.5	169.9	-50.8	0	0	0	0	111.3	R1124 D1125 Q1126 Q1130 S1131	R1124-T1128 PolarHBondContact O-N 3.12Å; R1124-T1128 PolarHBondContact O-OG1 3.08Å; D1125-T1128 WeakPolarHBondContact O-CA 3.36Å; D1125-T1128 WeakPolarHBondContact O-CB 3.33Å; D1125-T1128 PolarHBondContact O-N 3.01Å; Q1126-T1128 VanDerWaalsContact C-N 3.34Å; T1128-Q1130 PolarHBondContact O-N 2.99Å; T1128-Q1130 VanDerWaalsContact O-N 3.13Å; T1128-S1131 PolarHBondContact O-N 3.19Å; T1128-S1131 PolarHBondContact O-OG 3.11Å
1129	E	36.6	Very low	40.6	Very low	167 Å²	167	128.5 Å²	128.5	78%	0.78	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	4.3	177.9	-69.7	-167.5	147.1	0	0	115.3	D1125	D1125-E1129 PolarHBondContact O-N 3.39Å
1130	Q	36.9	Very low	39.6	Very low	187 Å²	187	130.4 Å²	130.4	87%	0.874	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	45.2	165.2	-71	-158.7	-10.5	0	0	113.2	T1128	T1128-Q1130 PolarHBondContact O-N 2.99Å; T1128-Q1130 VanDerWaalsContact O-N 3.13Å
1131	S	31.9	Very low	38.1	Very low	85 Å²	85	133.9 Å²	133.9	59%	0.594	68%	0.675	S	S	*	*	S	Bend	trans	-144	129	161	58.6	0	0	0	0	111.4	T1128	T1128-S1131 PolarHBondContact O-N 3.19Å; T1128-S1131 PolarHBondContact O-OG 3.11Å
1132	P	34.4	Very low	36.6	Very low	137 Å²	137	131.5 Å²	131.5	89%	0.89	68%	0.679	S	S	*	*			trans	-87.5	143.4	-179.5	33.6	-33.7	0	0	0	112.7
1133	S	32.1	Very low	35.4	Very low	102 Å²	102	132.1 Å²	132.1	71%	0.713	69%	0.69	S	S	*	*			trans	-116.9	155.4	167.8	51.7	0	0	0	0	108.6
1134	D	39.1	Very low	34.4	Very low	148 Å²	148	132.2 Å²	132.2	79%	0.791	70%	0.699	S	S	*	*			cis	-149.4	173.5	8.6	-107.1	-42.4	0	0	0	109.6
1135	L	31.5	Very low	33.3	Very low	167 Å²	167	129.4 Å²	129.4	87%	0.874	70%	0.704	S	S	*	*				168.3	161.2	128	-85.4	170.6	0	0	0	111.6
1136	P	48.3	Very low	32.5	Very low	102 Å²	102	131.4 Å²	131.4	66%	0.662	72%	0.724	S	S	*	*			trans	-130.4	171.4	-135.9	43.9	-31.8	0	0	0	116.7
1137	Q	28.9	Very low	31.7	Very low	158 Å²	158	130.4 Å²	130.4	74%	0.738	73%	0.733	S	S	*	*				-177.3	146.7	123.7	-103	177.7	59.9	0	0	115.5
1138	R	26.7	Very low	31.3	Very low	217 Å²	217	135.7 Å²	135.7	82%	0.819	75%	0.745	S	S	*	*			trans	39.6	113.4	150.1	-67	172.9	170.5	171.5	-4.2	119.4
1139	K	26.4	Very low	30.8	Very low	159 Å²	159	136.8 Å²	136.8	69%	0.691	76%	0.757	S	S	*	*				89.7	111.8	61.9	-168.7	-156.8	-173.8	-143.1	0	114.3	E1141	K1139-E1141 WeakPolarHBondContact CE-OE1 3.5Å; K1139-E1141 IonicContact NZ-OE1 2.84Å; K1139-E1141 PolarHBondContact NZ-OE1 2.96Å
1140	I	26.9	Very low	30.2	Very low	143 Å²	143	132.6 Å²	132.6	73%	0.733	76%	0.758	S	S	*	*			trans	178.8	114	135.4	-93.2	153.8	0	0	0	105.3
1141	E	26.4	Very low	29.8	Very low	135 Å²	135	129.3 Å²	129.3	63%	0.631	76%	0.755	S	S	*	*				56.9	123.6	90.1	-75.7	167.6	-136.8	0	0	111.5	K1139	K1139-E1141 WeakPolarHBondContact CE-OE1 3.5Å; K1139-E1141 IonicContact NZ-OE1 2.84Å; K1139-E1141 PolarHBondContact NZ-OE1 2.96Å
1142	V	26.6	Very low	29.6	Very low	123 Å²	123	132 Å²	132	75%	0.745	76%	0.762	S	S	*	*				-165.6	133.8	52.2	166.4	0	0	0	0	113.2
1143	V	26.8	Very low	29.5	Very low	123 Å²	123	133.1 Å²	133.1	75%	0.745	76%	0.756	S	S	*	*			trans	34.5	132.4	136.3	-171	0	0	0	0	124.3
1144	S	26.2	Very low	29.4	Very low	99 Å²	99	134.6 Å²	134.6	69%	0.692	76%	0.761	S	S	*	*			trans	88.4	126.8	142.3	66.5	0	0	0	0	126.4
1145	S	27	Very low	28.7	Very low	105 Å²	105	131.1 Å²	131.1	73%	0.734	76%	0.76	S	S	*	*			trans	53.6	119.1	132.5	68	0	0	0	0	125.2
1146	S	27.6	Very low	28.5	Very low	119 Å²	119	131.3 Å²	131.3	83%	0.832	76%	0.761	S	S	*	*				37.9	123.1	120.8	-166.4	0	0	0	0	121.5
1147	A	27.7	Very low	28.5	Very low	79 Å²	79	130.6 Å²	130.6	65%	0.653	76%	0.756	S	S	*	*				163.9	140.1	100.6	0	0	0	0	0	115.2
1148	K	31.8	Very low	28.5	Very low	201 Å²	201	131.5 Å²	131.5	87%	0.874	76%	0.76	S	S	*	*			trans	58.3	160.3	143.2	-73.5	-179.6	-178.8	-179.4	0	119.4
1149	S	27.1	Very low	28.5	Very low	117 Å²	117	125.5 Å²	125.5	82%	0.818	75%	0.752	S	S	*	*			cis	-165.4	157.5	-12.8	43.8	0	0	0	0	111
1150	G	23.4	Very low	28.4	Very low	79 Å²	79	127.6 Å²	127.6	81%	0.814	76%	0.761	S	S	*	*			trans	-167.5	139.8	164.5	0	0	0	0	0	111
1151	S	29.2	Very low	29.5	Very low	117 Å²	117	125.7 Å²	125.7	82%	0.818	76%	0.758	S	S	*	*			trans	-159.5	174.6	-170.4	-164.1	0	0	0	0	113.5
1152	L	27.5	Very low	29.5	Very low	141 Å²	141	126.3 Å²	126.3	74%	0.738	77%	0.765	S	S	*	*			trans	107.9	114.1	176.5	-60.1	165.8	0	0	0	113.1
1153	Q	32.9	Very low	29.4	Very low	162 Å²	162	126.7 Å²	126.7	76%	0.757	77%	0.768	S	S	*	*				75.2	140.1	63.4	-72.1	-165.9	-22.2	0	0	112.9
1154	T	30.1	Very low	29.2	Very low	132 Å²	132	124.5 Å²	124.5	81%	0.81	77%	0.771	S	S	*	*			cis	-166.1	160.4	-5.6	14.5	0	0	0	0	109.7
1155	G	24.2	Very low	29.1	Very low	75 Å²	75	123.1 Å²	123.1	77%	0.773	77%	0.771	S	S	*	*			trans	175.6	130.2	166.6	0	0	0	0	0	116
1156	L	26.1	Very low	29.1	Very low	171 Å²	171	124.5 Å²	124.5	90%	0.895	78%	0.776	S	S	*	*			trans	-156.7	-177.5	-177.2	-92.3	174.3	0	0	0	107.6
1157	P	49.8	Very low	29	Very low	88 Å²	88	127 Å²	127	57%	0.571	77%	0.774	S	S	*	*			cis	-137.2	-169.6	-9.2	24.2	2.6	0	0	0	115
1158	E	28.1	Very low	29	Very low	176 Å²	176	129.1 Å²	129.1	82%	0.822	78%	0.775	S	S	*	*			trans	66.5	158.9	140.8	-80.3	161.9	166	0	0	122
1159	S	26.3	Very low	28.8	Very low	91 Å²	91	126.7 Å²	126.7	64%	0.636	77%	0.77	S	S	*	*			cis	-167.8	134.4	-12	49.3	0	0	0	0	115.1
1160	F	24.2	Very low	28.8	Very low	203 Å²	203	127.1 Å²	127.1	89%	0.89	76%	0.764	S	S	*	*			trans	52.8	-168.1	142.4	-64.1	-69.6	0	0	0	120.3
1161	P	50	Low	29	Very low	103 Å²	103	128.3 Å²	128.3	67%	0.669	76%	0.755	S	S	*	*				-142.8	-170.2	-91.5	47	-28.8	0	0	0	118.7
1162	L	26.2	Very low	29.2	Very low	148 Å²	148	130.5 Å²	130.5	78%	0.775	75%	0.752	S	S	*	*			trans	82.3	119.4	148.8	-106.7	76.9	0	0	0	123.4
1163	T	25.1	Very low	29.4	Very low	131 Å²	131	129.7 Å²	129.7	80%	0.804	75%	0.753	S	S	*	*			trans	45.9	139	132.4	55.5	0	0	0	0	124.7
1164	G	23.1	Very low	29.6	Very low	78 Å²	78	128.1 Å²	128.1	80%	0.804	76%	0.755	S	S	*	*			trans	154.8	112.1	133.8	0	0	0	0	0	119.4
1165	G	23.7	Very low	29.7	Very low	69 Å²	69	129.1 Å²	129.1	71%	0.711	76%	0.755	S	S	*	*			trans	63.3	174.9	154.8	0	0	0	0	0	120
1166	T	26.6	Very low	30	Very low	135 Å²	135	128 Å²	128	83%	0.828	74%	0.744	S	S	*	*			cis	170.8	134.2	-48.1	26.4	0	0	0	0	108.2
1167	E	27.1	Very low	30.2	Very low	171 Å²	171	125.8 Å²	125.8	80%	0.799	74%	0.742	S	S	*	*			trans	76.8	111.7	154.2	-64.4	-165.8	151.5	0	0	123.8
1168	N	27	Very low	29.3	Very low	123 Å²	123	128 Å²	128	66%	0.658	75%	0.754	S	S	*	*				76.2	122.5	120	-61.5	-24.3	0	0	0	124.5
1169	L	27.2	Very low	29.7	Very low	150 Å²	150	123.7 Å²	123.7	79%	0.785	75%	0.747	S	S	*	*			trans	66.1	141.7	141.8	-59.7	168	0	0	0	117.8
1170	N	27.7	Very low	30.1	Very low	127 Å²	127	125.9 Å²	125.9	68%	0.679	75%	0.752	S	S	*	*			cis	-167.8	161.9	37.7	-133.1	1.9	0	0	0	113
1171	T	28.1	Very low	30.7	Very low	103 Å²	103	120 Å²	120	63%	0.632	74%	0.741	S	S	*	*			trans	34.2	152.2	143	56.8	0	0	0	0	123.1
1172	E	32.2	Very low	30	Very low	163 Å²	163	122.7 Å²	122.7	76%	0.762	75%	0.749	S	S	*	*			cis	-172.1	-174.7	-0.6	-116.5	177.3	139.4	0	0	113.2
1173	T	31.7	Very low	30	Very low	124 Å²	124	119.1 Å²	119.1	76%	0.761	75%	0.748	S	S	*	*			trans	74	140.1	163.3	66.8	0	0	0	0	118.6
1174	T	37.4	Very low	30.2	Very low	129 Å²	129	118.1 Å²	118.1	79%	0.791	75%	0.753	S	S	*	*			cis	-167.1	172	-11.3	21.5	0	0	0	0	106.5
1175	D	32.1	Very low	30.5	Very low	153 Å²	153	118.5 Å²	118.5	82%	0.818	75%	0.749	S	S	*	*			cis	-150.2	-162.3	6.5	-149.4	22.8	0	0	0	107.8
1176	G	30.6	Very low	30.6	Very low	52 Å²	52	125.7 Å²	125.7	54%	0.536	76%	0.761	S	S	.	*			cis	163.5	169.1	1.7	0	0	0	0	0	113.1
1177	C	29.4	Very low	30.6	Very low	125 Å²	125	123.2 Å²	123.2	85%	0.845	75%	0.754	S	S	*	*			trans	59.2	131.8	159.6	-81.5	0	0	0	0	121.1
1178	V	31.8	Very low	30.6	Very low	135 Å²	135	122 Å²	122	82%	0.818	76%	0.759	S	S	*	*			cis	-147.4	156.4	-7.7	173.4	0	0	0	0	109.9
1179	A	37.1	Very low	30.5	Very low	84 Å²	84	127.3 Å²	127.3	69%	0.694	77%	0.77	S	S	*	*			trans	-59.6	-177.4	178.7	0	0	0	0	0	116.9
1180	D	34.4	Very low	30.5	Very low	137 Å²	137	125.3 Å²	125.3	73%	0.733	77%	0.768	S	S	*	*			cis	-149.7	-167.3	3.9	-153.2	13.4	0	0	0	108
1181	A	36.8	Very low	30.4	Very low	80 Å²	80	129.3 Å²	129.3	66%	0.661	78%	0.779	S	S	*	*			cis	-163.9	-168.2	5.9	0	0	0	0	0	106.9
1182	L	33.7	Very low	30.2	Very low	159 Å²	159	128.2 Å²	128.2	83%	0.832	78%	0.781	S	S	*	*				-161.7	153.3	-56.4	-88.5	166.8	0	0	0	104
1183	G	27.4	Very low	30	Very low	73 Å²	73	129.3 Å²	129.3	75%	0.753	79%	0.786	S	S	*	*			cis	-173.1	-173.4	-2.6	0	0	0	0	0	106.1
1184	A	28.7	Very low	29.7	Very low	110 Å²	110	135.4 Å²	135.4	91%	0.909	80%	0.795	S	S	*	*			cis	-151.6	-135.9	-2.3	0	0	0	0	0	108.3
1185	A	30.2	Very low	29.1	Very low	87 Å²	87	132.3 Å²	132.3	72%	0.719	79%	0.788	S	S	*	*			trans	-151.2	165.1	-177.2	0	0	0	0	0	114.2
1186	F	26.1	Very low	28.8	Very low	219 Å²	219	133.1 Å²	133.1	96%	0.961	79%	0.793	S	S	*	*			trans	-178.5	-171	131.9	-104.2	-68.1	0	0	0	112.1
1187	A	26.9	Very low	28.7	Very low	83 Å²	83	135.6 Å²	135.6	69%	0.686	80%	0.802	S	S	*	*			trans	-141	-165.7	-151.4	0	0	0	0	0	116.6
1188	T	26.1	Very low	28.7	Very low	147 Å²	147	135.8 Å²	135.8	90%	0.902	80%	0.799	S	S	*	*			trans	93.3	168.2	156.2	12.9	0	0	0	0	122.2
1189	R	24.3	Very low	28.5	Very low	234 Å²	234	137.8 Å²	137.8	88%	0.883	80%	0.799	S	S	*	*			trans	-84.5	146.2	-162.5	-81.2	172.1	160.6	168.2	-7.9	116
1190	S	27.5	Very low	28.1	Very low	108 Å²	108	142.3 Å²	142.3	76%	0.755	81%	0.806	S	S	*	*			trans	33.5	118	130.4	-41.9	0	0	0	0	121.7
1191	K	25.6	Very low	27.8	Very low	210 Å²	210	143.3 Å²	143.3	91%	0.913	81%	0.811	S	S	*	*				-178.1	142.5	124.1	-108.3	178.7	178.4	-176.6	0	116.7
1192	A	24.7	Very low	27.4	Very low	81 Å²	81	146.7 Å²	146.7	67%	0.669	81%	0.813	S	S	*	*			trans	52.3	105	136.1	0	0	0	0	0	123.9
1193	Q	27	Very low	27.1	Very low	186 Å²	186	146.9 Å²	146.9	87%	0.869	81%	0.809	S	S	*	*				67.8	107.1	104.1	-164.3	177.6	11.1	0	0	122.1
1194	R	26.3	Very low	27	Very low	252 Å²	252	150.2 Å²	150.2	95%	0.951	81%	0.807	S	S	*	*			trans	-154.8	148.4	141.1	-85	-170.3	176.5	-170.5	-1.6	107.8
1195	G	24.5	Very low	27	Very low	63 Å²	63	151.8 Å²	151.8	65%	0.649	80%	0.8	S	S	*	*			cis	159.3	116.6	-10.3	0	0	0	0	0	112.7
1196	N	25.6	Very low	27.1	Very low	171 Å²	171	151.8 Å²	151.8	91%	0.914	80%	0.795	S	S	*	*			trans	69.6	156.4	175.3	-54.5	3.6	0	0	0	115.3
1197	S	27.6	Very low	27.3	Very low	104 Å²	104	149.3 Å²	149.3	73%	0.727	79%	0.786	S	S	*	*			cis	-154.5	149.9	13.9	54.4	0	0	0	0	113.7
1198	V	29.8	Very low	27.5	Very low	128 Å²	128	152 Å²	152	78%	0.776	79%	0.789	S	S	*	*			trans	65.6	139	150.1	168.7	0	0	0	0	117.3
1199	E	28.7	Very low	27.7	Very low	177 Å²	177	149 Å²	149	83%	0.827	78%	0.779	S	S	*	*			cis	-166.7	171.5	-29.2	-128	164	178.1	0	0	108
1200	E	29	Very low	28	Very low	180 Å²	180	147.3 Å²	147.3	84%	0.841	78%	0.781	S	S	*	*			trans	-90.5	151.8	173.2	-63.7	167.9	113.1	0	0	111.2
1201	L	28.1	Very low	28.1	Very low	157 Å²	157	149.3 Å²	149.3	82%	0.822	78%	0.78	S	S	*	*				-170.2	-173.8	117.4	-131.7	74.9	0	0	0	113.8
1202	E	28.1	Very low	28.2	Very low	152 Å²	152	145.6 Å²	145.6	71%	0.71	78%	0.776	S	S	*	*			trans	-106	176.2	-151.1	-61.5	156.7	121.4	0	0	115.3
1203	E	26.8	Very low	28.4	Very low	162 Å²	162	147.3 Å²	147.3	76%	0.757	77%	0.773	S	S	*	*			trans	68.1	113.8	143.6	-82.6	-177.4	-177.9	0	0	124.2
1204	M	26.3	Very low	28.6	Very low	143 Å²	143	144.2 Å²	144.2	70%	0.704	77%	0.767	S	S	*	*				85.5	129.1	111	-159.4	170.6	69.4	0	0	121.9
1205	D	27.4	Very low	28.6	Very low	143 Å²	143	138.4 Å²	138.4	77%	0.765	76%	0.76	S	S	*	*			trans	62.6	154.1	153.7	-78.5	1.4	0	0	0	120.7
1206	S	32.6	Very low	28.9	Very low	87 Å²	87	143.7 Å²	143.7	61%	0.608	77%	0.768	S	S	*	*			cis	-163.4	-160.8	-8.7	46.2	0	0	0	0	109.8
1207	Q	30.5	Very low	30.1	Very low	168 Å²	168	140.7 Å²	140.7	79%	0.785	76%	0.758	S	S	*	*			trans	78.9	144.3	164.5	-60.5	177.5	-5.5	0	0	117.8
1208	D	31.8	Very low	30.2	Very low	140 Å²	140	143.5 Å²	143.5	75%	0.749	76%	0.761	S	S	*	*			cis	-154.4	162	-13.3	-122.7	-30.4	0	0	0	116.5
1209	A	30.4	Very low	30.1	Very low	82 Å²	82	143.1 Å²	143.1	68%	0.678	76%	0.755	S	S	*	*			trans	2.6	142	158.2	0	0	0	0	0	124.1
1210	E	29.2	Very low	30	Very low	199 Å²	199	142.3 Å²	142.3	93%	0.93	75%	0.751	S	S	*	*				-161.4	165.2	95.3	-107.7	-169.8	168.4	0	0	113
1211	M	29.4	Very low	30.4	Very low	151 Å²	151	143.5 Å²	143.5	74%	0.744	78%	0.779	S	S	*	*			trans	-130.2	154.8	-166	-70	176.8	62.7	0	0	115.1	N1213	M1211-N1213 WeakPolarHBondContact CE-OD1 3.49Å
1212	T	27.5	Very low	30.5	Very low	132 Å²	132	142.9 Å²	142.9	81%	0.81	78%	0.777	S	S	*	*			trans	-168.4	104	138.6	10.5	0	0	0	0	108.3
1213	N	29.9	Very low	30.6	Very low	117 Å²	117	142.4 Å²	142.4	63%	0.626	78%	0.78	S	S	*	*				63	130.3	87.6	-67.1	-11	0	0	0	114	M1211	M1211-N1213 WeakPolarHBondContact CE-OD1 3.49Å
1214	T	30.5	Very low	30.8	Very low	121 Å²	121	141.3 Å²	141.3	74%	0.742	78%	0.782	S	S	*	*			cis	-160.4	180	-6.2	26.9	0	0	0	0	106.9
1215	T	27.9	Very low	31.1	Very low	129 Å²	129	141.2 Å²	141.2	79%	0.791	79%	0.786	S	S	*	*			cis	-156.4	164.9	20.6	-27.2	0	0	0	0	111.7
1216	E	30.1	Very low	31.3	Very low	175 Å²	175	141.1 Å²	141.1	82%	0.818	79%	0.788	S	S	*	*			trans	-90.8	-169.4	169.2	-67.6	-166.3	129.9	0	0	110.9
1217	P	50.4	Low	31.2	Very low	108 Å²	108	144.7 Å²	144.7	70%	0.701	80%	0.8	S	S	*	*			cis	-154.2	-178.8	15.5	48.6	-27.6	0	0	0	121.6
1218	M	29.6	Very low	31.3	Very low	162 Å²	162	143 Å²	143	80%	0.798	80%	0.801	S	S	*	*			trans	73.3	96.8	145.1	-68.8	-107.4	-69.6	0	0	122.5
1219	D	28.1	Very low	31.2	Very low	121 Å²	121	143.2 Å²	143.2	65%	0.647	81%	0.805	S	S	*	*				73.7	148.7	102.2	-111.6	-23	0	0	0	126.6
1220	H	27	Very low	31.3	Very low	160 Å²	160	148.3 Å²	148.3	74%	0.741	82%	0.815	S	S	*	*			trans	50.6	102.7	152.7	-68.5	2.4	0	0	0	121.2
1221	S	36.3	Very low	31.5	Very low	205 Å²	205	143.7 Å²	143.7	100%	1.434	81%	0.805	S	S	*	*				-161.3	0	117.5	-75.4	0	0	0	0	111

Retrieved 1,221 of 1,221 residues in 500.3 ms (Link to these results)

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