A0A087XSY9_POEFO Loading...

phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase

AlphaFold DB , UniProt , Accession A0A087XSY9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,250 aa.

						>A0A087XSY9_POEFO|A0A087XSY9
MAGGGGGGVTPLGPAPPMWYHRDLSRAAAEELLARAGRDGSFLVRDSESVNGAYALCVLFQKHVHTYRILPDDEGFLAVQTSQGVQPKRFKTLPELVSLYLQPNQGLVTTLLYAVDREETAVTDDRDYSDGEDEKPPLPPRSASTSTPPGPETPTESTLAANGLSTISHEYLKGSYALDLEAVKQGASSLPHLNKTLVASCKRLNGEVDKVLSGLEILSKVFDQQSAFMVTKMIQQSVNQGGDQELENLVTKLAILKDLLSSIEKKALKALQDMSLSSPCSPPPFSMRHSKAIPVQAFEVKLDVYLAELTKIGKSQKYTLSVDVEGGRLVVMKKVKDNQEDWTTFTHDKIRQLIKSQRVQNKLGIVFEKEKDKSQRKDFIFASAKKREAFCQLLQLMKNKHSNQDEPDMISIFIGTWNMGSVPSPKSVASWVLCRGLGKTLDEMTVTIPHDLYVFGSQENSVCDREWVESLRAVLKEQTELDYKPIAVQTLWSIKLAVLVKPEHENRISHVGMSSVKTGIANTLGNKGAVGVSFMFNGTSFGFVNCHLTSGNEKIARRNQNYLDILRLLSLGDKQLSSFDISLRFTHLFWLGDLNYRLDMDIQEILNYINRKEFEPLLKVDQLNLEREKNKVFLRFAEEEISFPPTYRYERGSRDTYVWQKQKATGMRTNVPSWCDRILWKSYPETHIVCNSYGCTDDIVTSDHSPVFGTFEVGVTSQFVSKKGLPKSSEQAYIEFESIEAIVKTASRTKFFIEFYSTCLEEFKKSYENDSQSSDNVNFLRVGWSNKQLTTLKPLLSEIEYLQDQHLLLTVKSVDGYESYGECVLALKSMIGSTAQQFHTYLSHRGEETGNIRGSMRVRVPAERMGTRERLYEWISVDQDETSGPKGKSTMVSRVGHEYVKQSVVRKQLGELGKVNEEGEKNCKEENAARSKQDTPDGESSIGKNSFNNPAYYILEGVPHPSAAELLSSPTSPTAPPVKAPPPSAGARTKPPPAASGPAHSRRTVVAGHPARGVSEESSSEDDGGGATLAGAQGGGIGGTVGSTLNRPPPDFPPPPLPKGALETAAAEAQLSKPRSLYPDLAEVRIPPAGPAGPLVMGDGFRRGAAGALDDQSCSVLQMAKTLSESEFPGQPPRAPSAPPPVRAPTIGILDACRTFPPRNPIPESIAEDMPEEALWGSSSSSLSVGESSVGEWLQRLGLERYEQGLLHNGWDDLEFLSDITEEDLEEAGVLDPAHKQILLESLRQQQQQK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.2	Very low	30.9	Very low	242 Å²	242	113.4 Å²	113.4	100%	1.192	88%	0.884	S	S	*	*				0	120.4	0	-62.3	169	179.5	0	0	105.7
2	A	32.6	Very low	31.5	Very low	104 Å²	104	118.8 Å²	118.8	86%	0.86	89%	0.888	S	S	*	*			cis	93.7	127.9	25.6	0	0	0	0	0	114.1
3	G	31.7	Very low	31.9	Very low	84 Å²	84	114 Å²	114	87%	0.866	86%	0.864	S	S	*	*			trans	87.3	131.4	-177.3	0	0	0	0	0	113.8
4	G	31.6	Very low	32.7	Very low	89 Å²	89	115.2 Å²	115.2	92%	0.918	86%	0.863	S	S	*	*			cis	115.7	131.8	-15.8	0	0	0	0	0	116.1
5	G	30.6	Very low	34.2	Very low	84 Å²	84	113.4 Å²	113.4	87%	0.866	85%	0.854	S	S	*	*			trans	124.4	135.9	159	0	0	0	0	0	117.3
6	G	27.8	Very low	35.9	Very low	87 Å²	87	111.9 Å²	111.9	90%	0.897	84%	0.837	S	S	*	*			trans	85.7	128.5	163.8	0	0	0	0	0	116
7	G	28	Very low	38.1	Very low	87 Å²	87	108.1 Å²	108.1	90%	0.897	81%	0.806	S	S	*	*			cis	125.7	109.9	-6	0	0	0	0	0	112.7
8	G	26	Very low	40.1	Very low	74 Å²	74	109.4 Å²	109.4	76%	0.763	80%	0.797	S	S	*	*			trans	-170.8	71	-176.7	0	0	0	0	0	113.3
9	V	31.8	Very low	42.6	Very low	149 Å²	149	105.5 Å²	105.5	90%	0.903	76%	0.762	S	S	*	*			trans	-84.7	114	173.8	177.6	0	0	0	0	109.3
10	T	31.4	Very low	45.1	Very low	122 Å²	122	102.1 Å²	102.1	75%	0.748	73%	0.731	S	S	*	*			trans	-84.1	156.7	163.4	42.3	0	0	0	0	110.6
11	P	37.3	Very low	47.2	Very low	125 Å²	125	97.3 Å²	97.3	81%	0.812	70%	0.697	S	S	*	*			trans	-67.7	141.3	-168.1	-20.4	33.3	0	0	0	113.5	G13	P11-G13 PolarHBondContact O-N 3.24Å
12	L	38.2	Very low	49.6	Very low	179 Å²	179	92.6 Å²	92.6	94%	0.937	67%	0.666	S	S	*	*			trans	-60.9	115.8	161.6	-83.5	154.3	0	0	0	108.9
13	G	36.5	Very low	52	Low	56 Å²	56	93.1 Å²	93.1	58%	0.577	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-66.9	168.3	166.4	0	0	0	0	0	111.5	P11	P11-G13 PolarHBondContact O-N 3.24Å
14	P	42.5	Very low	54.6	Low	131 Å²	131	90 Å²	90	85%	0.851	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-57.8	141.5	173.1	26.7	-34.5	0	0	0	110.3
15	A	55.2	Low	57.3	Low	88 Å²	88	88.4 Å²	88.4	73%	0.727	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-55.9	141.8	176	0	0	0	0	0	110.5
16	P	61.7	Low	59.9	Low	89 Å²	89	90.7 Å²	90.7	58%	0.578	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-60.5	145.7	178.9	26	-33.9	0	0	0	110.5	Y20	P16-Y20 HydrophobicContact CB-CD1 4.19Å
17	P	72.8	Confident	62.7	Low	48 Å²	48	89.8 Å²	89.8	31%	0.312	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-57.5	140.4	174.1	-22.3	33.1	0	0	0	110.9	W19 Y20 P94	P17-W19 HydrophobicContact CB-CD2 3.88Å; P17-W19 HydrophobicContact CB-CG 4.26Å; P17-W19 HydrophobicContact CB-CH2 4.27Å; P17-W19 HydrophobicContact CB-CZ2 3.6Å; P17-W19 HydrophobicContact CG-CH2 4.14Å; P17-W19 HydrophobicContact CG-CZ2 3.72Å; P17-W19 PolarHBondContact O-N 3.43Å; P17-Y20 WeakPolarHBondContact O-CB 3.24Å; P17-Y20 PolarHBondContact O-N 2.86Å; P17-P94 HydrophobicContact CG-CG 4.45Å
18	M	75.7	Confident	65.5	Low	131 Å²	131	87 Å²	87	65%	0.645	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.1	-172.2	-43.6	-166.4	-46.7	0	0	113.6	Y20 H21 D116	M18-Y20 VanDerWaalsContact C-N 3.29Å; M18-Y20 PolarHBondContact O-N 2.94Å; M18-H21 PolarHBondContact O-NE2 3.41Å; M18-D116 WeakPolarHBondContact CB-OD1 3.45Å
19	W	87.3	Confident	68.5	Low	35 Å²	35	83.5 Å²	83.5	13%	0.133	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-3.9	172.6	53	-103.8	0	0	0	114.8	P17 F42 L43 V44 L93 P94 V97 A114	P17-W19 HydrophobicContact CB-CD2 3.88Å; P17-W19 HydrophobicContact CB-CG 4.26Å; P17-W19 HydrophobicContact CB-CH2 4.27Å; P17-W19 HydrophobicContact CB-CZ2 3.6Å; P17-W19 HydrophobicContact CG-CH2 4.14Å; P17-W19 HydrophobicContact CG-CZ2 3.72Å; P17-W19 PolarHBondContact O-N 3.43Å; W19-F42 HydrophobicContact CB-CD2 4.48Å; W19-F42 HydrophobicContact CB-CE2 3.86Å; W19-F42 HydrophobicContact CB-CZ 4.35Å; W19-F42 HydrophobicContact CD2-CE2 4.43Å; W19-F42 AromaticContact CG-CE2 3.98Å; W19-F42 HydrophobicContact CG-CE2 3.98Å; W19-F42 HydrophobicContact CG-CZ 4.4Å; W19-L43 CarbonylContact O-C 3.53Å; W19-L43 WeakPolarHBondContact O-CA 3.42Å; W19-V44 HydrophobicContact CE3-CB 3.86Å; W19-V44 HydrophobicContact CE3-CG2 3.65Å; W19-V44 HydrophobicContact CZ3-CB 3.93Å; W19-V44 HydrophobicContact CZ3-CG2 3.75Å; W19-V44 PolarHBondContact O-N 2.93Å; W19-L93 HydrophobicContact CH2-CB 3.9Å; W19-L93 HydrophobicContact CZ3-CB 4.23Å; W19-P94 HydrophobicContact CH2-CG 4.22Å; W19-P94 HydrophobicContact CZ2-CB 4.35Å; W19-P94 HydrophobicContact CZ2-CG 4.15Å; W19-V97 HydrophobicContact CD2-CG2 4.37Å; W19-V97 HydrophobicContact CE3-CG2 4.09Å; W19-V97 HydrophobicContact CH2-CB 4.31Å; W19-V97 HydrophobicContact CH2-CG2 3.75Å; W19-V97 HydrophobicContact CZ2-CB 4.12Å; W19-V97 HydrophobicContact CZ2-CG1 4.33Å; W19-V97 HydrophobicContact CZ2-CG2 4Å; W19-V97 HydrophobicContact CZ3-CG2 3.78Å; W19-A114 HydrophobicContact CB-CB 3.95Å
20	Y	91.4	Very high	71.2	Confident	37 Å²	37	79.2 Å²	79.2	15%	0.145	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	111.8	-176.5	175.7	-129.7	0	0	0	112.6	P16 P17 M18 V44 D46 Y54 L93	P16-Y20 HydrophobicContact CB-CD1 4.19Å; P17-Y20 WeakPolarHBondContact O-CB 3.24Å; P17-Y20 PolarHBondContact O-N 2.86Å; M18-Y20 VanDerWaalsContact C-N 3.29Å; M18-Y20 PolarHBondContact O-N 2.94Å; Y20-V44 CarbonylContact C-O 3.57Å; Y20-V44 WeakPolarHBondContact CA-O 3.43Å; Y20-V44 HydrophobicContact CD2-CB 4.3Å; Y20-V44 HydrophobicContact CD2-CG1 4.19Å; Y20-D46 WeakPolarHBondContact CE2-OD1 3.36Å; Y20-D46 PolarHBondContact OH-OD1 2.93Å; Y20-Y54 HydrophobicContact CE2-CD1 4.14Å; Y20-Y54 HydrophobicContact CE2-CE1 4.21Å; Y20-L93 HydrophobicContact CD2-CD1 4.39Å; Y20-L93 HydrophobicContact CE2-CD1 4.29Å
21	H	89.9	Confident	74	Confident	2 Å²	2	78.1 Å²	78.1	1%	0.009	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	84.7	-172.4	-61.2	-123.6	0	0	0	110.3	M18 D23 L24 V44 R45 V115 D116 R117	M18-H21 PolarHBondContact O-NE2 3.41Å; H21-D23 PolarHBondContact O-N 3.31Å; H21-L24 HydrophobicContact CB-CB 3.65Å; H21-L24 HydrophobicContact CB-CD2 3.71Å; H21-L24 HydrophobicContact CB-CG 4.3Å; H21-L24 PolarHBondContact O-N 3.07Å; H21-V44 PolarHBondContact N-O 2.86Å; H21-R45 VanDerWaalsContact O-CA 3.31Å; H21-R45 WeakPolarHBondContact O-CA 3.44Å; H21-R45 VanDerWaalsContact O-CB 3.26Å; H21-R45 WeakPolarHBondContact O-CB 3.14Å; H21-V115 PolarHBondContact NE2-O 3.33Å; H21-D116 VanDerWaalsContact CE1-C 3.41Å; H21-R117 PolarHBondContact CE1-N 3.25Å; H21-R117 VanDerWaalsContact CE1-N 3.34Å
22	R	82.4	Confident	76.5	Confident	144 Å²	144	73.4 Å²	73.4	54%	0.543	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-61.9	-175.3	-171.5	179.1	-69.8	170	0.1	113.2	L24 D46	R22-L24 PolarHBondContact O-N 3.43Å; R22-D46 VanDerWaalsContact CG-OD2 3.29Å; R22-D46 WeakPolarHBondContact CG-OD2 3.48Å; R22-D46 WeakPolarHBondContact O-CB 3.42Å; R22-D46 PolarHBondContact O-N 3.44Å
23	D	81.3	Confident	79	Confident	115 Å²	115	64.9 Å²	64.9	62%	0.615	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	26.7	-167.6	-16.5	-89.4	0	0	0	113.3	H21 R117	H21-D23 PolarHBondContact O-N 3.31Å; D23-R117 IonicContact OD2-CZ 3.89Å; D23-R117 IonicContact OD2-NH1 2.93Å; D23-R117 PolarHBondContact OD2-NH1 3.3Å; D23-R117 IonicContact OD2-NH2 3.27Å
24	L	87.4	Confident	81.4	Confident	19 Å²	19	65.3 Å²	65.3	10%	0.099	37%	0.369	C	S	.	.			trans	-90.4	125.8	-177.4	-172.7	71.6	0	0	0	111.1	H21 R22 A28 A29 L32 L43 R45	H21-L24 HydrophobicContact CB-CB 3.65Å; H21-L24 HydrophobicContact CB-CD2 3.71Å; H21-L24 HydrophobicContact CB-CG 4.3Å; H21-L24 PolarHBondContact O-N 3.07Å; R22-L24 PolarHBondContact O-N 3.43Å; L24-A28 HydrophobicContact CD1-CB 3.5Å; L24-A28 HydrophobicContact CG-CB 4.19Å; L24-A29 HydrophobicContact CD2-CB 3.76Å; L24-A29 HydrophobicContact CG-CB 4.2Å; L24-L32 HydrophobicContact CD1-CD1 4.07Å; L24-L32 HydrophobicContact CD2-CD1 4.09Å; L24-L43 HydrophobicContact CD2-CD1 3.93Å; L24-L43 HydrophobicContact CD2-CD2 3.84Å; L24-R45 HydrophobicContact CB-CB 4.39Å; L24-R45 WeakPolarHBondContact O-CD 3.38Å
25	S	87.6	Confident	83.5	Confident	54 Å²	54	66.5 Å²	66.5	38%	0.378	36%	0.356	S	S	.	.			trans	-71.6	160.8	177.2	72.6	0	0	0	0	112.2	A27 A28 A29 E48	S25-A27 VanDerWaalsContact C-N 3.31Å; S25-A27 PolarHBondContact O-N 2.98Å; S25-A28 PolarHBondContact O-N 3Å; S25-A28 WeakPolarHBondContact OG-CB 3.46Å; S25-A28 PolarHBondContact OG-N 2.85Å; S25-A29 WeakPolarHBondContact O-CB 2.92Å; S25-A29 PolarHBondContact O-N 2.85Å; S25-E48 VanDerWaalsContact CA-OE1 3.31Å; S25-E48 WeakPolarHBondContact CA-OE1 3.48Å
26	R	86.6	Confident	85	Confident	133 Å²	133	63.6 Å²	63.6	50%	0.502	33%	0.333	S	S	.	.	H	α-helix	trans	-52.4	-49.2	175.3	-175	176.2	170.8	163.6	2.5	112.2	A29 E30 E48	R26-A29 PolarHBondContact O-N 3.28Å; R26-E30 HydrophobicContact CG-CG 4.45Å; R26-E30 IonicContact CZ-OE1 3.21Å; R26-E30 IonicContact NE-OE1 2.91Å; R26-E30 PolarHBondContact NE-OE1 3Å; R26-E30 IonicContact NE-OE2 3.2Å; R26-E30 IonicContact NH2-OE1 2.72Å; R26-E30 PolarHBondContact NH2-OE1 3.23Å; R26-E30 WeakPolarHBondContact O-CB 3.46Å; R26-E30 WeakPolarHBondContact O-CG 3.24Å; R26-E30 PolarHBondContact O-N 2.65Å; R26-E48 WeakPolarHBondContact CB-OE2 2.97Å; R26-E48 PolarHBondContact N-OE1 3.43Å
27	A	86.1	Confident	86.1	Confident	67 Å²	67	62.1 Å²	62.1	55%	0.554	33%	0.333	S	S	*	.	H	α-helix	trans	-65.8	-40.7	-175.7	0	0	0	0	0	111.7	S25 E30 E31	S25-A27 VanDerWaalsContact C-N 3.31Å; S25-A27 PolarHBondContact O-N 2.98Å; A27-E30 PolarHBondContact O-N 3.43Å; A27-E31 WeakPolarHBondContact O-CB 3.23Å; A27-E31 PolarHBondContact O-N 3.15Å
28	A	86.8	Confident	87	Confident	30 Å²	30	66.3 Å²	66.3	25%	0.248	34%	0.343	C	S	.	.	H	α-helix	trans	-68.6	-35.6	176.8	0	0	0	0	0	112.2	L24 S25 E31 L32	L24-A28 HydrophobicContact CD1-CB 3.5Å; L24-A28 HydrophobicContact CG-CB 4.19Å; S25-A28 PolarHBondContact O-N 3Å; S25-A28 WeakPolarHBondContact OG-CB 3.46Å; S25-A28 PolarHBondContact OG-N 2.85Å; A28-E31 PolarHBondContact O-N 3.05Å; A28-L32 WeakPolarHBondContact O-CB 3.36Å; A28-L32 WeakPolarHBondContact O-CG 3.46Å; A28-L32 PolarHBondContact O-N 2.95Å
29	A	87.9	Confident	87.8	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-65.4	-42.8	171.9	0	0	0	0	0	112.6	L24 S25 R26 L33 L43	L24-A29 HydrophobicContact CD2-CB 3.76Å; L24-A29 HydrophobicContact CG-CB 4.2Å; S25-A29 WeakPolarHBondContact O-CB 2.92Å; S25-A29 PolarHBondContact O-N 2.85Å; R26-A29 PolarHBondContact O-N 3.28Å; A29-L33 WeakPolarHBondContact O-CB 3.45Å; A29-L33 WeakPolarHBondContact O-CG 3.35Å; A29-L33 PolarHBondContact O-N 3.39Å; A29-L33 VanDerWaalsContact O-N 3.12Å; A29-L43 HydrophobicContact CB-CD1 3.99Å; A29-L43 HydrophobicContact CB-CD2 4.36Å
30	E	90.3	Very high	87.8	Confident	58 Å²	58	61.5 Å²	61.5	27%	0.271	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-39.1	175.3	-73.5	174.5	170.4	0	0	111.4	R26 A27 A34 V64	R26-E30 HydrophobicContact CG-CG 4.45Å; R26-E30 IonicContact CZ-OE1 3.21Å; R26-E30 IonicContact NE-OE1 2.91Å; R26-E30 PolarHBondContact NE-OE1 3Å; R26-E30 IonicContact NE-OE2 3.2Å; R26-E30 IonicContact NH2-OE1 2.72Å; R26-E30 PolarHBondContact NH2-OE1 3.23Å; R26-E30 WeakPolarHBondContact O-CB 3.46Å; R26-E30 WeakPolarHBondContact O-CG 3.24Å; R26-E30 PolarHBondContact O-N 2.65Å; A27-E30 PolarHBondContact O-N 3.43Å; E30-A34 VanDerWaalsContact O-CB 3.32Å; E30-A34 WeakPolarHBondContact O-CB 3.37Å; E30-A34 PolarHBondContact O-N 2.8Å; E30-V64 HydrophobicContact CG-CB 4.07Å; E30-V64 HydrophobicContact CG-CG1 3.95Å; E30-V64 HydrophobicContact CG-CG2 4.45Å
31	E	89.7	Confident	88	Confident	100 Å²	100	59.7 Å²	59.7	47%	0.467	32%	0.315	S	S	.	.	H	α-helix	trans	-68.5	-47.7	175.9	-165.4	-171.9	157.7	0	0	112.9	A27 A28 L33 A34 R35	A27-E31 WeakPolarHBondContact O-CB 3.23Å; A27-E31 PolarHBondContact O-N 3.15Å; A28-E31 PolarHBondContact O-N 3.05Å; E31-L33 VanDerWaalsContact C-N 3.29Å; E31-L33 PolarHBondContact O-N 3.26Å; E31-A34 PolarHBondContact O-N 3.22Å; E31-A34 VanDerWaalsContact O-N 3.13Å; E31-R35 HydrophobicContact CG-CG 4.45Å; E31-R35 WeakPolarHBondContact O-CG 3.32Å; E31-R35 PolarHBondContact O-N 3.08Å; E31-R35 IonicContact OE1-CZ 3.03Å; E31-R35 IonicContact OE1-NE 2.95Å; E31-R35 PolarHBondContact OE1-NE 3.49Å; E31-R35 IonicContact OE1-NH2 2.62Å; E31-R35 PolarHBondContact OE1-NH2 2.72Å
32	L	89.9	Confident	88.3	Confident	26 Å²	26	59.9 Å²	59.9	14%	0.136	32%	0.316	C	S	.	.	H	α-helix	trans	-59.9	-40	178.2	-75.8	174.2	0	0	0	111.8	L24 A28 R35 A36 V115	L24-L32 HydrophobicContact CD1-CD1 4.07Å; L24-L32 HydrophobicContact CD2-CD1 4.09Å; A28-L32 WeakPolarHBondContact O-CB 3.36Å; A28-L32 WeakPolarHBondContact O-CG 3.46Å; A28-L32 PolarHBondContact O-N 2.95Å; L32-R35 PolarHBondContact O-N 3.34Å; L32-A36 WeakPolarHBondContact O-CB 3.26Å; L32-A36 PolarHBondContact O-N 3.4Å; L32-V115 HydrophobicContact CB-CG1 4.25Å
33	L	89.8	Confident	88.9	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.9	-39.9	174.3	-73	168.5	0	0	0	112.2	A29 E31 A36 G37 S41 L43 C57 L59 V64 V115	A29-L33 WeakPolarHBondContact O-CB 3.45Å; A29-L33 WeakPolarHBondContact O-CG 3.35Å; A29-L33 PolarHBondContact O-N 3.39Å; A29-L33 VanDerWaalsContact O-N 3.12Å; E31-L33 VanDerWaalsContact C-N 3.29Å; E31-L33 PolarHBondContact O-N 3.26Å; L33-A36 PolarHBondContact O-N 2.82Å; L33-G37 PolarHBondContact O-N 3.48Å; L33-S41 WeakPolarHBondContact CD2-O 3.35Å; L33-L43 HydrophobicContact CD1-CG 4.39Å; L33-L43 HydrophobicContact CG-CD2 4.26Å; L33-C57 HydrophobicContact CD1-CB 3.51Å; L33-L59 HydrophobicContact CB-CB 4.44Å; L33-L59 HydrophobicContact CB-CD1 4.47Å; L33-L59 WeakPolarHBondContact O-CD2 3.33Å; L33-V64 HydrophobicContact CB-CG2 3.8Å; L33-V64 HydrophobicContact CD1-CG1 3.64Å; L33-V64 HydrophobicContact CD1-CG2 4.16Å; L33-V115 HydrophobicContact CD2-CG2 3.92Å
34	A	86.3	Confident	89.5	Confident	65 Å²	65	47.6 Å²	47.6	54%	0.537	26%	0.261	S	S	.	.	H	α-helix	trans	-63.9	-40.1	174.6	0	0	0	0	0	112.5	E30 E31 G37	E30-A34 VanDerWaalsContact O-CB 3.32Å; E30-A34 WeakPolarHBondContact O-CB 3.37Å; E30-A34 PolarHBondContact O-N 2.8Å; E31-A34 PolarHBondContact O-N 3.22Å; E31-A34 VanDerWaalsContact O-N 3.13Å; A34-G37 PolarHBondContact O-N 3.3Å
35	R	87.4	Confident	89.8	Confident	155 Å²	155	47.1 Å²	47.1	59%	0.585	26%	0.258	S	S	*	.	H	α-helix	trans	-62.7	-39.9	172.4	-70.8	176.9	-178.2	-160.3	4.3	112	E31 L32 G37 E118	E31-R35 HydrophobicContact CG-CG 4.45Å; E31-R35 WeakPolarHBondContact O-CG 3.32Å; E31-R35 PolarHBondContact O-N 3.08Å; E31-R35 IonicContact OE1-CZ 3.03Å; E31-R35 IonicContact OE1-NE 2.95Å; E31-R35 PolarHBondContact OE1-NE 3.49Å; E31-R35 IonicContact OE1-NH2 2.62Å; E31-R35 PolarHBondContact OE1-NH2 2.72Å; L32-R35 PolarHBondContact O-N 3.34Å; R35-G37 VanDerWaalsContact C-N 3.27Å; R35-G37 PolarHBondContact O-N 3.27Å; R35-E118 IonicContact NH1-OE2 3.46Å; R35-E118 PolarHBondContact NH1-OE2 2.71Å
36	A	86.3	Confident	89.9	Confident	28 Å²	28	47.1 Å²	47.1	23%	0.231	25%	0.254	C	S	.	.	H	α-helix	trans	-66.1	-26.3	178.6	0	0	0	0	0	113.7	L32 L33 R38 V115	L32-A36 WeakPolarHBondContact O-CB 3.26Å; L32-A36 PolarHBondContact O-N 3.4Å; L33-A36 PolarHBondContact O-N 2.82Å; A36-R38 PolarHBondContact O-N 3.17Å; A36-V115 HydrophobicContact CB-CG1 4.49Å; A36-V115 HydrophobicContact CB-CG2 3.74Å
37	G	85.8	Confident	89.8	Confident	57 Å²	57	41.6 Å²	41.6	59%	0.588	24%	0.236	S	C	*	.			trans	65.1	8.2	159.1	0	0	0	0	0	117.5	L33 A34 R35	L33-G37 PolarHBondContact O-N 3.48Å; A34-G37 PolarHBondContact O-N 3.3Å; R35-G37 VanDerWaalsContact C-N 3.27Å; R35-G37 PolarHBondContact O-N 3.27Å
38	R	90.7	Very high	89.7	Confident	137 Å²	137	44 Å²	44	52%	0.517	24%	0.236	S	C	.	.	S	Bend	trans	-123.8	128.6	-175.3	-67.9	177.5	-68.9	169	1.7	111.5	A36 S41 Y113	A36-R38 PolarHBondContact O-N 3.17Å; R38-S41 WeakPolarHBondContact O-CB 3.45Å; R38-S41 PolarHBondContact O-N 2.81Å; R38-S41 PolarHBondContact O-OG 2.83Å; R38-Y113 HydrophobicContact CB-CD2 4.01Å; R38-Y113 HydrophobicContact CB-CE2 4.08Å
39	D	92.3	Very high	89.2	Confident	64 Å²	64	47 Å²	47	34%	0.342	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	138.1	176.3	-76.9	5.6	0	0	0	111.1	S41 L59 F60 Q61 Y113	D39-S41 VanDerWaalsContact C-N 3.33Å; D39-L59 WeakPolarHBondContact CA-O 3.45Å; D39-F60 HydrophobicContact CB-CD2 4.06Å; D39-F60 WeakPolarHBondContact OD1-CA 3.43Å; D39-Q61 PolarHBondContact OD1-N 2.9Å; D39-Q61 PolarHBondContact OD2-N 2.96Å; D39-Y113 WeakPolarHBondContact O-CE2 3.32Å
40	G	88.6	Confident	88.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	82	3.9	-169.1	0	0	0	0	0	114.6	L59 L112 Y113	G40-L59 PolarHBondContact N-O 3.2Å; G40-L112 PolarHBondContact O-N 2.92Å; G40-Y113 PolarHBondContact O-N 3.04Å
41	S	95.1	Very high	88.1	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	138	166.6	-58.3	0	0	0	0	110.4	L33 R38 D39 V58 L59 Y113	L33-S41 WeakPolarHBondContact CD2-O 3.35Å; R38-S41 WeakPolarHBondContact O-CB 3.45Å; R38-S41 PolarHBondContact O-N 2.81Å; R38-S41 PolarHBondContact O-OG 2.83Å; D39-S41 VanDerWaalsContact C-N 3.33Å; S41-V58 CarbonylContact O-C 3.56Å; S41-V58 WeakPolarHBondContact O-CA 3.34Å; S41-L59 PolarHBondContact O-N 2.94Å; S41-Y113 CarbonylContact C-O 3.45Å; S41-Y113 VanDerWaalsContact CA-O 3.23Å; S41-Y113 WeakPolarHBondContact CA-O 3.5Å
42	F	95.4	Very high	87.7	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.026	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	157.6	-175.5	77.9	-81.8	0	0	0	114.5	W19 L56 C57 V58 V97 L101 L111 Y113 A114 V115	W19-F42 HydrophobicContact CB-CD2 4.48Å; W19-F42 HydrophobicContact CB-CE2 3.86Å; W19-F42 HydrophobicContact CB-CZ 4.35Å; W19-F42 HydrophobicContact CD2-CE2 4.43Å; W19-F42 AromaticContact CG-CE2 3.98Å; W19-F42 HydrophobicContact CG-CE2 3.98Å; W19-F42 HydrophobicContact CG-CZ 4.4Å; F42-L56 HydrophobicContact CB-CD1 4.43Å; F42-L56 HydrophobicContact CD2-CD1 3.98Å; F42-C57 WeakPolarHBondContact CA-O 3.43Å; F42-C57 WeakPolarHBondContact CB-O 3.22Å; F42-V58 HydrophobicContact CB-CG1 4.42Å; F42-V58 HydrophobicContact CB-CG2 4.18Å; F42-V97 HydrophobicContact CE2-CG1 3.75Å; F42-V97 HydrophobicContact CZ-CG1 3.96Å; F42-L101 HydrophobicContact CE1-CD2 4.25Å; F42-L101 HydrophobicContact CZ-CD2 4.31Å; F42-L111 HydrophobicContact CB-CD2 3.76Å; F42-L111 HydrophobicContact CD1-CB 3.73Å; F42-L111 HydrophobicContact CD1-CD2 4.24Å; F42-L111 HydrophobicContact CD1-CG 4.4Å; F42-L111 HydrophobicContact CD2-CD1 4.01Å; F42-L111 HydrophobicContact CD2-CD2 4.24Å; F42-L111 HydrophobicContact CD2-CG 4.49Å; F42-L111 HydrophobicContact CE1-CB 3.8Å; F42-L111 HydrophobicContact CE2-CD1 4.07Å; F42-L111 HydrophobicContact CG-CB 4.12Å; F42-L111 HydrophobicContact CG-CD1 4.31Å; F42-L111 HydrophobicContact CG-CD2 3.82Å; F42-L111 HydrophobicContact CG-CG 4.29Å; F42-L111 HydrophobicContact CZ-CB 4.25Å; F42-L111 HydrophobicContact CZ-CD1 4.41Å; F42-Y113 VanDerWaalsContact CD1-O 3.26Å; F42-Y113 WeakPolarHBondContact CD1-O 3.41Å; F42-Y113 PolarHBondContact N-O 2.78Å; F42-A114 HydrophobicContact CE1-CB 4.4Å; F42-A114 HydrophobicContact CZ-CB 4.37Å; F42-V115 PolarHBondContact O-N 2.86Å
43	L	95.1	Very high	87.5	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	162.8	166.1	65.7	83	0	0	0	110.6	W19 L24 A29 L33 R45 C57	W19-L43 CarbonylContact O-C 3.53Å; W19-L43 WeakPolarHBondContact O-CA 3.42Å; L24-L43 HydrophobicContact CD2-CD1 3.93Å; L24-L43 HydrophobicContact CD2-CD2 3.84Å; A29-L43 HydrophobicContact CB-CD1 3.99Å; A29-L43 HydrophobicContact CB-CD2 4.36Å; L33-L43 HydrophobicContact CD1-CG 4.39Å; L33-L43 HydrophobicContact CG-CD2 4.26Å; L43-R45 HydrophobicContact CD1-CB 4.31Å; L43-C57 HydrophobicContact CD1-CB 4.31Å; L43-C57 PolarHBondContact N-O 2.67Å; L43-C57 PolarHBondContact O-N 2.8Å
44	V	94	Very high	87.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.9	171.1	-177.6	0	0	0	0	108.6	W19 Y20 H21 A55 L56 L93 V97	W19-V44 HydrophobicContact CE3-CB 3.86Å; W19-V44 HydrophobicContact CE3-CG2 3.65Å; W19-V44 HydrophobicContact CZ3-CB 3.93Å; W19-V44 HydrophobicContact CZ3-CG2 3.75Å; W19-V44 PolarHBondContact O-N 2.93Å; Y20-V44 CarbonylContact C-O 3.57Å; Y20-V44 WeakPolarHBondContact CA-O 3.43Å; Y20-V44 HydrophobicContact CD2-CB 4.3Å; Y20-V44 HydrophobicContact CD2-CG1 4.19Å; H21-V44 PolarHBondContact N-O 2.86Å; V44-A55 CarbonylContact C-O 3.48Å; V44-A55 WeakPolarHBondContact CA-O 3.34Å; V44-L56 HydrophobicContact CG2-CB 4.24Å; V44-L56 HydrophobicContact CG2-CD1 3.74Å; V44-L93 HydrophobicContact CG1-CD1 4.25Å; V44-L93 HydrophobicContact CG1-CD2 4.31Å; V44-V97 HydrophobicContact CG2-CG2 4.12Å
45	R	93.4	Very high	87.9	Confident	10 Å²	10	51.2 Å²	51.2	4%	0.038	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	170.4	177.4	65	-178.2	-168	91.8	-12.1	111.2	H21 L24 L43 E48 Y54 A55	H21-R45 VanDerWaalsContact O-CA 3.31Å; H21-R45 WeakPolarHBondContact O-CA 3.44Å; H21-R45 VanDerWaalsContact O-CB 3.26Å; H21-R45 WeakPolarHBondContact O-CB 3.14Å; L24-R45 HydrophobicContact CB-CB 4.39Å; L24-R45 WeakPolarHBondContact O-CD 3.38Å; L43-R45 HydrophobicContact CD1-CB 4.31Å; R45-E48 IonicContact CZ-OE2 3.8Å; R45-E48 VanDerWaalsContact NH1-CD 3.26Å; R45-E48 IonicContact NH1-OE1 2.81Å; R45-E48 IonicContact NH1-OE2 3.84Å; R45-E48 PolarHBondContact NH1-OE2 2.8Å; R45-E48 IonicContact NH2-OE2 2.71Å; R45-E48 PolarHBondContact NH2-OE2 2.89Å; R45-Y54 CarbonylContact O-C 3.57Å; R45-Y54 WeakPolarHBondContact O-CA 3.39Å; R45-A55 HydrophobicContact CG-CB 3.97Å; R45-A55 PolarHBondContact N-O 2.82Å; R45-A55 PolarHBondContact O-N 2.93Å
46	D	91.4	Very high	88.2	Confident	53 Å²	53	43.8 Å²	43.8	28%	0.283	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	152.8	171.8	-65.8	10.5	0	0	0	110.6	Y20 R22 Y54	Y20-D46 WeakPolarHBondContact CE2-OD1 3.36Å; Y20-D46 PolarHBondContact OH-OD1 2.93Å; R22-D46 VanDerWaalsContact CG-OD2 3.29Å; R22-D46 WeakPolarHBondContact CG-OD2 3.48Å; R22-D46 WeakPolarHBondContact O-CB 3.42Å; R22-D46 PolarHBondContact O-N 3.44Å; D46-Y54 WeakPolarHBondContact OD1-CD1 3.45Å; D46-Y54 WeakPolarHBondContact OD1-CE1 3.32Å
47	S	84.6	Confident	88.6	Confident	18 Å²	18	42.5 Å²	42.5	13%	0.126	24%	0.243	C	C	.	.			trans	-86.1	115.2	-177.2	-168.4	0	0	0	0	111.5	S49 A53	S47-S49 PolarHBondContact O-N 2.85Å; S47-S49 VanDerWaalsContact O-N 3.07Å; S47-S49 PolarHBondContact OG-OG 2.77Å; S47-A53 WeakPolarHBondContact CB-O 3.45Å; S47-A53 PolarHBondContact N-O 2.84Å
48	E	82.5	Confident	89	Confident	118 Å²	118	39.8 Å²	39.8	55%	0.551	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.1	175.6	-61.9	139.6	132.4	0	0	113.5	S25 R26 R45	S25-E48 VanDerWaalsContact CA-OE1 3.31Å; S25-E48 WeakPolarHBondContact CA-OE1 3.48Å; R26-E48 WeakPolarHBondContact CB-OE2 2.97Å; R26-E48 PolarHBondContact N-OE1 3.43Å; R45-E48 IonicContact CZ-OE2 3.8Å; R45-E48 VanDerWaalsContact NH1-CD 3.26Å; R45-E48 IonicContact NH1-OE1 2.81Å; R45-E48 IonicContact NH1-OE2 3.84Å; R45-E48 PolarHBondContact NH1-OE2 2.8Å; R45-E48 IonicContact NH2-OE2 2.71Å; R45-E48 PolarHBondContact NH2-OE2 2.89Å
49	S	75.9	Confident	89.2	Confident	91 Å²	91	33.6 Å²	33.6	64%	0.636	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-14.4	-172.4	63	0	0	0	0	115.4	S47 R68	S47-S49 PolarHBondContact O-N 2.85Å; S47-S49 VanDerWaalsContact O-N 3.07Å; S47-S49 PolarHBondContact OG-OG 2.77Å; S49-R68 PolarHBondContact OG-NH2 2.78Å
50	V	81.3	Confident	89.2	Confident	66 Å²	66	32.8 Å²	32.8	40%	0.4	19%	0.186	S	C	.	.	S	Bend	trans	-143.4	120	167.1	159.9	0	0	0	0	108.6	A53	V50-A53 HydrophobicContact CB-CB 4.1Å; V50-A53 HydrophobicContact CG1-CB 3.78Å; V50-A53 PolarHBondContact O-N 2.92Å
51	N	75.4	Confident	89.2	Confident	169 Å²	169	39 Å²	39	90%	0.904	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	135.6	176.1	-166.8	1.3	0	0	0	110.7	A53	N51-A53 VanDerWaalsContact C-N 3.29Å; N51-A53 PolarHBondContact O-N 2.75Å
52	G	80	Confident	88.7	Confident	42 Å²	42	48.2 Å²	48.2	43%	0.433	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	-1.1	-176.2	0	0	0	0	0	116.1
53	A	86.9	Confident	88.2	Confident	1 Å²	1	54 Å²	54	1%	0.008	28%	0.282	C	S	.	.			trans	-97	158.7	169.6	0	0	0	0	0	111.6	S47 V50 N51 L70	S47-A53 WeakPolarHBondContact CB-O 3.45Å; S47-A53 PolarHBondContact N-O 2.84Å; V50-A53 HydrophobicContact CB-CB 4.1Å; V50-A53 HydrophobicContact CG1-CB 3.78Å; V50-A53 PolarHBondContact O-N 2.92Å; N51-A53 VanDerWaalsContact C-N 3.29Å; N51-A53 PolarHBondContact O-N 2.75Å; A53-L70 HydrophobicContact CB-CD2 3.82Å
54	Y	91.9	Very high	88	Confident	56 Å²	56	55.6 Å²	55.6	22%	0.22	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	165.7	178.6	-49.9	-80	0	0	0	111.9	Y20 R45 D46 I69 L77 L93	Y20-Y54 HydrophobicContact CE2-CD1 4.14Å; Y20-Y54 HydrophobicContact CE2-CE1 4.21Å; R45-Y54 CarbonylContact O-C 3.57Å; R45-Y54 WeakPolarHBondContact O-CA 3.39Å; D46-Y54 WeakPolarHBondContact OD1-CD1 3.45Å; D46-Y54 WeakPolarHBondContact OD1-CE1 3.32Å; Y54-I69 HydrophobicContact CD2-CG2 4.4Å; Y54-I69 PolarHBondContact N-O 3.49Å; Y54-I69 PolarHBondContact O-N 2.92Å; Y54-L77 HydrophobicContact CD2-CD1 4.43Å; Y54-L77 HydrophobicContact CD2-CD2 4.28Å; Y54-L77 HydrophobicContact CE2-CD1 4.2Å; Y54-L77 HydrophobicContact CE2-CD2 4.03Å; Y54-L93 HydrophobicContact CD1-CD1 3.89Å; Y54-L93 HydrophobicContact CD2-CD1 3.97Å; Y54-L93 HydrophobicContact CD2-CD2 3.84Å; Y54-L93 HydrophobicContact CD2-CG 4.16Å; Y54-L93 HydrophobicContact CE1-CD1 3.93Å; Y54-L93 HydrophobicContact CE2-CD1 4.01Å; Y54-L93 HydrophobicContact CE2-CD2 4.4Å; Y54-L93 HydrophobicContact CE2-CG 4.25Å; Y54-L93 HydrophobicContact CG-CD1 3.9Å; Y54-L93 HydrophobicContact CG-CD2 4.11Å; Y54-L93 HydrophobicContact CG-CG 4.49Å
55	A	92.7	Very high	87.8	Confident	4 Å²	4	58.8 Å²	58.8	3%	0.033	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	118.1	176.1	0	0	0	0	0	110.2	V44 R45 T66 Y67	V44-A55 CarbonylContact C-O 3.48Å; V44-A55 WeakPolarHBondContact CA-O 3.34Å; R45-A55 HydrophobicContact CG-CB 3.97Å; R45-A55 PolarHBondContact N-O 2.82Å; R45-A55 PolarHBondContact O-N 2.93Å; A55-T66 HydrophobicContact CB-CG2 3.86Å; A55-Y67 WeakPolarHBondContact CA-O 3.42Å
56	L	93.6	Very high	87.7	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	114.6	171.2	166.8	64.7	0	0	0	108.5	F42 V44 V58 T66 Y67 I69 L107 L111	F42-L56 HydrophobicContact CB-CD1 4.43Å; F42-L56 HydrophobicContact CD2-CD1 3.98Å; V44-L56 HydrophobicContact CG2-CB 4.24Å; V44-L56 HydrophobicContact CG2-CD1 3.74Å; L56-V58 HydrophobicContact CD1-CG2 4.13Å; L56-V58 HydrophobicContact CG-CG2 4Å; L56-T66 CarbonylContact O-C 3.57Å; L56-T66 WeakPolarHBondContact O-CA 3.18Å; L56-Y67 PolarHBondContact N-O 3.16Å; L56-Y67 PolarHBondContact O-N 2.81Å; L56-I69 HydrophobicContact CB-CD1 3.95Å; L56-L107 HydrophobicContact CD2-CD1 3.97Å; L56-L111 HydrophobicContact CD1-CD1 4.18Å; L56-L111 HydrophobicContact CD1-CD2 4.16Å; L56-L111 HydrophobicContact CD2-CD1 4.32Å; L56-L111 HydrophobicContact CD2-CD2 4.46Å
57	C	94.3	Very high	87.6	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.007	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.6	-180	-62.3	0	0	0	0	109.7	L33 F42 L43 V64 H65 T66	L33-C57 HydrophobicContact CD1-CB 3.51Å; F42-C57 WeakPolarHBondContact CA-O 3.43Å; F42-C57 WeakPolarHBondContact CB-O 3.22Å; L43-C57 HydrophobicContact CD1-CB 4.31Å; L43-C57 PolarHBondContact N-O 2.67Å; L43-C57 PolarHBondContact O-N 2.8Å; C57-V64 HydrophobicContact CB-CG1 4.09Å; C57-H65 WeakPolarHBondContact CA-O 3.04Å; C57-T66 PolarHBondContact SG-OG1 2.83Å; C57-T66 VanDerWaalsContact SG-OG1 3.41Å
58	V	94.5	Very high	87.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.9	-174.7	-168.6	0	0	0	0	110.4	S41 F42 L56 V64 H65 Y67 T109 L111	S41-V58 CarbonylContact O-C 3.56Å; S41-V58 WeakPolarHBondContact O-CA 3.34Å; F42-V58 HydrophobicContact CB-CG1 4.42Å; F42-V58 HydrophobicContact CB-CG2 4.18Å; L56-V58 HydrophobicContact CD1-CG2 4.13Å; L56-V58 HydrophobicContact CG-CG2 4Å; V58-V64 WeakPolarHBondContact O-CA 3.38Å; V58-H65 PolarHBondContact N-O 2.8Å; V58-H65 PolarHBondContact O-N 2.83Å; V58-Y67 HydrophobicContact CG2-CD2 4.21Å; V58-Y67 HydrophobicContact CG2-CE2 4.21Å; V58-T109 HydrophobicContact CG1-CG2 3.73Å; V58-L111 HydrophobicContact CB-CD2 4.44Å; V58-L111 HydrophobicContact CG1-CD2 4.03Å; V58-L111 HydrophobicContact CG2-CD2 3.49Å; V58-L111 VanDerWaalsContact CG2-CD2 3.49Å
59	L	93.8	Very high	88.2	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130.7	173.5	-167.2	78	0	0	0	111.1	L33 D39 G40 S41 H63 V64	L33-L59 HydrophobicContact CB-CB 4.44Å; L33-L59 HydrophobicContact CB-CD1 4.47Å; L33-L59 WeakPolarHBondContact O-CD2 3.33Å; D39-L59 WeakPolarHBondContact CA-O 3.45Å; G40-L59 PolarHBondContact N-O 3.2Å; S41-L59 PolarHBondContact O-N 2.94Å; L59-H63 WeakPolarHBondContact CA-O 3.27Å; L59-V64 HydrophobicContact CD1-CG2 3.66Å
60	F	92.8	Very high	88.8	Confident	47 Å²	47	56.1 Å²	56.1	21%	0.206	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	135.4	169.5	-174.7	-114.1	0	0	0	110.9	D39 K62 H63 V108 T109	D39-F60 HydrophobicContact CB-CD2 4.06Å; D39-F60 WeakPolarHBondContact OD1-CA 3.43Å; F60-K62 PolarHBondContact O-N 3.47Å; F60-K62 VanDerWaalsContact O-N 3.14Å; F60-H63 PolarHBondContact N-O 2.96Å; F60-H63 PolarHBondContact O-N 3.28Å; F60-H63 VanDerWaalsContact O-O 3.1Å; F60-V108 HydrophobicContact CB-CG1 3.83Å; F60-V108 HydrophobicContact CD1-CB 4.42Å; F60-V108 HydrophobicContact CD1-CG1 4.21Å; F60-V108 HydrophobicContact CD1-CG2 3.47Å; F60-V108 VanDerWaalsContact CD1-CG2 3.47Å; F60-V108 HydrophobicContact CE1-CG2 3.84Å; F60-V108 HydrophobicContact CG-CG1 4.19Å; F60-V108 HydrophobicContact CG-CG2 4.25Å; F60-T109 HydrophobicContact CB-CG2 3.92Å; F60-T109 HydrophobicContact CD2-CG2 3.81Å; F60-T109 HydrophobicContact CG-CG2 4.12Å
61	Q	88.8	Confident	88.9	Confident	131 Å²	131	56 Å²	56	61%	0.612	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	42.8	-179.1	-61.6	-177.3	9.4	0	0	113.2	D39 H63	D39-Q61 PolarHBondContact OD1-N 2.9Å; D39-Q61 PolarHBondContact OD2-N 2.96Å; Q61-H63 PolarHBondContact O-N 3.31Å; Q61-H63 PolarHBondContact O-ND1 2.87Å
62	K	85	Confident	89.2	Confident	193 Å²	193	50.2 Å²	50.2	84%	0.839	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	10.8	-175.3	-50.8	-177.2	178.8	-176.7	0	116.2	F60	F60-K62 PolarHBondContact O-N 3.47Å; F60-K62 VanDerWaalsContact O-N 3.14Å
63	H	83.9	Confident	88.9	Confident	129 Å²	129	56.7 Å²	56.7	60%	0.597	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	144	175	-66.3	76	0	0	0	110.3	L59 F60 Q61	L59-H63 WeakPolarHBondContact CA-O 3.27Å; F60-H63 PolarHBondContact N-O 2.96Å; F60-H63 PolarHBondContact O-N 3.28Å; F60-H63 VanDerWaalsContact O-O 3.1Å; Q61-H63 PolarHBondContact O-N 3.31Å; Q61-H63 PolarHBondContact O-ND1 2.87Å
64	V	91.7	Very high	88.5	Confident	32 Å²	32	63.1 Å²	63.1	19%	0.194	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	112.2	174.8	175.8	0	0	0	0	109.2	E30 L33 C57 V58 L59	E30-V64 HydrophobicContact CG-CB 4.07Å; E30-V64 HydrophobicContact CG-CG1 3.95Å; E30-V64 HydrophobicContact CG-CG2 4.45Å; L33-V64 HydrophobicContact CB-CG2 3.8Å; L33-V64 HydrophobicContact CD1-CG1 3.64Å; L33-V64 HydrophobicContact CD1-CG2 4.16Å; C57-V64 HydrophobicContact CB-CG1 4.09Å; V58-V64 WeakPolarHBondContact O-CA 3.38Å; L59-V64 HydrophobicContact CD1-CG2 3.66Å
65	H	89.3	Confident	87.8	Confident	67 Å²	67	62.8 Å²	62.8	31%	0.31	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	120.6	176.7	-66.1	-102.3	0	0	0	109.2	C57 V58 Y67 V108	C57-H65 WeakPolarHBondContact CA-O 3.04Å; V58-H65 PolarHBondContact N-O 2.8Å; V58-H65 PolarHBondContact O-N 2.83Å; H65-Y67 HydrophobicContact CB-CE2 3.74Å; H65-V108 HydrophobicContact CB-CG1 4.1Å
66	T	91.1	Very high	87.5	Confident	59 Å²	59	65.3 Å²	65.3	36%	0.362	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.7	178.8	-60.1	0	0	0	0	110.5	A55 L56 C57	A55-T66 HydrophobicContact CB-CG2 3.86Å; L56-T66 CarbonylContact O-C 3.57Å; L56-T66 WeakPolarHBondContact O-CA 3.18Å; C57-T66 PolarHBondContact SG-OG1 2.83Å; C57-T66 VanDerWaalsContact SG-OG1 3.41Å
67	Y	90.5	Very high	87.2	Confident	45 Å²	45	66.1 Å²	66.1	18%	0.176	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.7	177	-62.5	-87.1	0	0	0	109.4	A55 L56 V58 H65 V79 L107 V108	A55-Y67 WeakPolarHBondContact CA-O 3.42Å; L56-Y67 PolarHBondContact N-O 3.16Å; L56-Y67 PolarHBondContact O-N 2.81Å; V58-Y67 HydrophobicContact CG2-CD2 4.21Å; V58-Y67 HydrophobicContact CG2-CE2 4.21Å; H65-Y67 HydrophobicContact CB-CE2 3.74Å; Y67-V79 HydrophobicContact CD1-CG1 4.37Å; Y67-L107 HydrophobicContact CD1-CD2 3.65Å; Y67-L107 HydrophobicContact CD2-CD2 3.87Å; Y67-L107 HydrophobicContact CE1-CD2 3.66Å; Y67-L107 HydrophobicContact CE2-CB 4.41Å; Y67-L107 HydrophobicContact CE2-CD2 3.88Å; Y67-L107 HydrophobicContact CG-CD2 3.76Å; Y67-V108 WeakPolarHBondContact OH-CB 3.29Å; Y67-V108 PolarHBondContact OH-N 3.35Å
68	R	89.3	Confident	86.8	Confident	75 Å²	75	66.7 Å²	66.7	28%	0.283	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	135.6	178.2	-160.3	-179.9	-157.6	171.6	6.4	110.1	S49 L70 V79 Q80	S49-R68 PolarHBondContact OG-NH2 2.78Å; R68-L70 HydrophobicContact CG-CD2 4.11Å; R68-L70 HydrophobicContact CG-CG 4.3Å; R68-V79 WeakPolarHBondContact O-CA 3.45Å; R68-Q80 HydrophobicContact CB-CB 4.14Å; R68-Q80 VanDerWaalsContact CD-OE1 3.24Å; R68-Q80 PolarHBondContact O-N 2.93Å
69	I	90.9	Very high	86.3	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	118.9	172.7	-60.3	166.1	0	0	0	107	Y54 L56 L77 A78 V79 L93 L96	Y54-I69 HydrophobicContact CD2-CG2 4.4Å; Y54-I69 PolarHBondContact N-O 3.49Å; Y54-I69 PolarHBondContact O-N 2.92Å; L56-I69 HydrophobicContact CB-CD1 3.95Å; I69-L77 HydrophobicContact CG2-CB 3.89Å; I69-L77 HydrophobicContact CG2-CD2 4.4Å; I69-A78 VanDerWaalsContact CA-O 3.31Å; I69-A78 WeakPolarHBondContact CA-O 3.45Å; I69-V79 HydrophobicContact CG1-CG2 4.16Å; I69-L93 HydrophobicContact CD1-CD2 3.85Å; I69-L93 HydrophobicContact CG2-CD2 4.27Å; I69-L96 HydrophobicContact CD1-CD1 3.84Å; I69-L96 HydrophobicContact CD1-CD2 3.76Å; I69-L96 HydrophobicContact CG1-CD1 3.98Å; I69-L96 HydrophobicContact CG1-CD2 4.48Å; I69-L96 HydrophobicContact CG2-CD1 3.75Å
70	L	86.8	Confident	85.6	Confident	55 Å²	55	72 Å²	72	29%	0.288	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.8	179.3	-64.2	174.7	0	0	0	109.7	A53 R68 L77 A78	A53-L70 HydrophobicContact CB-CD2 3.82Å; R68-L70 HydrophobicContact CG-CD2 4.11Å; R68-L70 HydrophobicContact CG-CG 4.3Å; L70-L77 WeakPolarHBondContact O-CA 3.48Å; L70-A78 PolarHBondContact N-O 2.86Å; L70-A78 PolarHBondContact O-N 3.41Å
71	P	84.6	Confident	84.5	Confident	63 Å²	63	72.6 Å²	72.6	41%	0.409	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	146	158.3	32.2	-32.7	0	0	0	110	F76 L77	P71-F76 CarbonylContact C-O 3.51Å; P71-F76 VanDerWaalsContact CA-O 3.3Å; P71-F76 WeakPolarHBondContact CA-O 3.46Å; P71-L77 HydrophobicContact CB-CD2 4.1Å
72	D	80.1	Confident	82.9	Confident	48 Å²	48	70.5 Å²	70.5	26%	0.257	37%	0.371	S	S	.	.			trans	-101.2	177.1	167.7	60.8	45.2	0	0	0	112.4	E74 G75 F76 R89	D72-E74 PolarHBondContact O-N 3.31Å; D72-E74 VanDerWaalsContact O-N 3.11Å; D72-E74 PolarHBondContact OD1-N 2.87Å; D72-G75 WeakPolarHBondContact O-CA 3.36Å; D72-G75 PolarHBondContact O-N 3.03Å; D72-G75 PolarHBondContact OD1-N 2.91Å; D72-F76 VanDerWaalsContact CG-O 3.31Å; D72-F76 PolarHBondContact N-O 2.76Å; D72-F76 PolarHBondContact OD1-N 2.86Å; D72-F76 WeakPolarHBondContact OD2-CB 3.44Å; D72-R89 IonicContact OD1-CZ 2.75Å; D72-R89 IonicContact OD1-NH2 2.72Å; D72-R89 PolarHBondContact OD1-NH2 3.4Å; D72-R89 IonicContact OD2-CZ 3.66Å; D72-R89 IonicContact OD2-NE 3.52Å; D72-R89 PolarHBondContact OD2-NE 3.35Å; D72-R89 IonicContact OD2-NH2 2.66Å; D72-R89 PolarHBondContact OD2-NH2 3.04Å
73	D	75.4	Confident	80.9	Confident	179 Å²	179	70 Å²	70	96%	0.957	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.4	-173.6	-56.6	-50.1	0	0	0	114.2
74	E	77.6	Confident	79.4	Confident	135 Å²	135	67.6 Å²	67.6	63%	0.631	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	4.3	174.6	-56.3	-178.9	131.7	0	0	112.3	D72 F76 R89	D72-E74 PolarHBondContact O-N 3.31Å; D72-E74 VanDerWaalsContact O-N 3.11Å; D72-E74 PolarHBondContact OD1-N 2.87Å; E74-F76 HydrophobicContact CB-CD2 3.87Å; E74-F76 HydrophobicContact CB-CE2 4.07Å; E74-R89 IonicContact OE2-CZ 2.91Å; E74-R89 IonicContact OE2-NH1 3.64Å; E74-R89 PolarHBondContact OE2-NH1 3.24Å; E74-R89 IonicContact OE2-NH2 2.95Å; E74-R89 PolarHBondContact OE2-NH2 2.77Å
75	G	77.5	Confident	77.9	Confident	50 Å²	50	70 Å²	70	52%	0.515	40%	0.397	S	S	.	.	S	Bend	trans	81.2	11.5	178.3	0	0	0	0	0	115.2	D72	D72-G75 WeakPolarHBondContact O-CA 3.36Å; D72-G75 PolarHBondContact O-N 3.03Å; D72-G75 PolarHBondContact OD1-N 2.91Å
76	F	86.3	Confident	76.5	Confident	56 Å²	56	75.1 Å²	75.1	25%	0.246	42%	0.42	C	S	.	.			trans	-83	144.1	174.6	-67.8	-110.4	0	0	0	110.4	P71 D72 E74 R89 F90 K91	P71-F76 CarbonylContact C-O 3.51Å; P71-F76 VanDerWaalsContact CA-O 3.3Å; P71-F76 WeakPolarHBondContact CA-O 3.46Å; D72-F76 VanDerWaalsContact CG-O 3.31Å; D72-F76 PolarHBondContact N-O 2.76Å; D72-F76 PolarHBondContact OD1-N 2.86Å; D72-F76 WeakPolarHBondContact OD2-CB 3.44Å; E74-F76 HydrophobicContact CB-CD2 3.87Å; E74-F76 HydrophobicContact CB-CE2 4.07Å; F76-R89 HydrophobicContact CB-CB 4.08Å; F76-R89 HydrophobicContact CD1-CB 4.26Å; F76-R89 HydrophobicContact CG-CB 4.45Å; F76-F90 CarbonylContact C-O 3.52Å; F76-F90 WeakPolarHBondContact CA-O 3.31Å; F76-F90 WeakPolarHBondContact CB-O 3.35Å; F76-K91 HydrophobicContact CD1-CG 3.78Å; F76-K91 HydrophobicContact CE1-CD 4.19Å; F76-K91 HydrophobicContact CE1-CG 3.5Å; F76-K91 HydrophobicContact CZ-CG 4.29Å
77	L	87.3	Confident	75.5	Confident	17 Å²	17	74.9 Å²	74.9	9%	0.089	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	135.4	175.8	-58.6	180	0	0	0	110.1	Y54 I69 L70 P71 F90 L93 L96	Y54-L77 HydrophobicContact CD2-CD1 4.43Å; Y54-L77 HydrophobicContact CD2-CD2 4.28Å; Y54-L77 HydrophobicContact CE2-CD1 4.2Å; Y54-L77 HydrophobicContact CE2-CD2 4.03Å; I69-L77 HydrophobicContact CG2-CB 3.89Å; I69-L77 HydrophobicContact CG2-CD2 4.4Å; L70-L77 WeakPolarHBondContact O-CA 3.48Å; P71-L77 HydrophobicContact CB-CD2 4.1Å; L77-F90 PolarHBondContact N-O 3.38Å; L77-F90 WeakPolarHBondContact O-CD2 3.35Å; L77-F90 PolarHBondContact O-N 2.79Å; L77-L93 HydrophobicContact CD1-CD2 3.76Å; L77-L93 HydrophobicContact CD1-CG 3.71Å; L77-L96 HydrophobicContact CB-CD1 4.39Å
78	A	85	Confident	75.1	Confident	14 Å²	14	77.1 Å²	77.1	12%	0.116	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139.6	176.3	0	0	0	0	0	111.3	I69 L70 P87	I69-A78 VanDerWaalsContact CA-O 3.31Å; I69-A78 WeakPolarHBondContact CA-O 3.45Å; L70-A78 PolarHBondContact N-O 2.86Å; L70-A78 PolarHBondContact O-N 3.41Å; A78-P87 HydrophobicContact CB-CB 4.21Å
79	V	84.5	Confident	75	Confident	7 Å²	7	79 Å²	79	4%	0.042	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	129.5	168	179.6	0	0	0	0	108.7	Y67 R68 I69 T81 L96 Y100	Y67-V79 HydrophobicContact CD1-CG1 4.37Å; R68-V79 WeakPolarHBondContact O-CA 3.45Å; I69-V79 HydrophobicContact CG1-CG2 4.16Å; V79-T81 PolarHBondContact O-N 2.87Å; V79-T81 VanDerWaalsContact O-N 3.13Å; V79-L96 HydrophobicContact CG2-CD1 3.98Å; V79-L96 HydrophobicContact CG2-CD2 4.11Å; V79-L96 HydrophobicContact CG2-CG 4.22Å; V79-Y100 HydrophobicContact CG2-CD2 4.5Å; V79-Y100 HydrophobicContact CG2-CE2 3.55Å
80	Q	80.3	Confident	74.8	Confident	111 Å²	111	80 Å²	80	52%	0.519	44%	0.442	S	S	.	.			trans	-66.8	109.8	178.9	-171.7	173.5	10.4	0	0	110.7	R68	R68-Q80 HydrophobicContact CB-CB 4.14Å; R68-Q80 VanDerWaalsContact CD-OE1 3.24Å; R68-Q80 PolarHBondContact O-N 2.93Å
81	T	69.3	Low	74.7	Confident	58 Å²	58	84.1 Å²	84.1	36%	0.356	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-89.7	167.3	176.3	46.9	0	0	0	0	112.3	V79 V85 P87	V79-T81 PolarHBondContact O-N 2.87Å; V79-T81 VanDerWaalsContact O-N 3.13Å; T81-V85 HydrophobicContact CG2-CB 4.31Å; T81-V85 HydrophobicContact CG2-CG1 4.05Å; T81-V85 PolarHBondContact OG1-O 3.15Å; T81-P87 HydrophobicContact CG2-CB 4.5Å
82	S	54.5	Low	74.8	Confident	87 Å²	87	84 Å²	84	61%	0.608	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-65.7	151.5	164	45.4	0	0	0	0	110.9	G84 V85	S82-G84 PolarHBondContact O-N 2.8Å; S82-V85 PolarHBondContact O-N 2.55Å
83	Q	43.2	Very low	75.1	Confident	183 Å²	183	82.4 Å²	82.4	86%	0.855	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	131.9	-178.9	-64.6	-162.5	24.1	0	0	111.1
84	G	52.1	Low	75.9	Confident	78 Å²	78	76.8 Å²	76.8	80%	0.804	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.2	-24.5	-178.4	0	0	0	0	0	114.9	S82 Q86	S82-G84 PolarHBondContact O-N 2.8Å; G84-Q86 PolarHBondContact O-N 2.99Å
85	V	60.4	Low	76.4	Confident	83 Å²	83	74.5 Å²	74.5	50%	0.503	41%	0.41	S	S	.	.	S	Bend	trans	-88.7	111.9	177.4	-178.3	0	0	0	0	110.5	T81 S82 P87	T81-V85 HydrophobicContact CG2-CB 4.31Å; T81-V85 HydrophobicContact CG2-CG1 4.05Å; T81-V85 PolarHBondContact OG1-O 3.15Å; S82-V85 PolarHBondContact O-N 2.55Å; V85-P87 WeakPolarHBondContact O-CD 3.37Å; V85-P87 VanDerWaalsContact O-N 3.14Å
86	Q	60.1	Low	77	Confident	174 Å²	174	72.1 Å²	72.1	81%	0.813	39%	0.385	S	S	*	.			trans	-49.5	112.9	173.2	-79.3	-76.3	-9.1	0	0	111.2	G84	G84-Q86 PolarHBondContact O-N 2.99Å
87	P	70.9	Confident	77.2	Confident	54 Å²	54	69.6 Å²	69.6	35%	0.351	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-75.7	138.2	-177.1	30.6	-34.1	0	0	0	110.6	A78 T81 V85 R89	A78-P87 HydrophobicContact CB-CB 4.21Å; T81-P87 HydrophobicContact CG2-CB 4.5Å; V85-P87 WeakPolarHBondContact O-CD 3.37Å; V85-P87 VanDerWaalsContact O-N 3.14Å; P87-R89 PolarHBondContact O-N 2.67Å
88	K	80.5	Confident	77.3	Confident	93 Å²	93	72.1 Å²	72.1	40%	0.404	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-74.4	125.8	174.1	-65.1	176.3	-175.6	160.8	0	108.9	F90 L99	K88-F90 HydrophobicContact CB-CE2 3.77Å; K88-F90 HydrophobicContact CB-CZ 3.68Å; K88-F90 WeakPolarHBondContact O-CD2 3.48Å; K88-F90 WeakPolarHBondContact O-CE2 3.41Å; K88-L99 HydrophobicContact CD-CD2 3.41Å; K88-L99 VanDerWaalsContact CD-CD2 3.41Å
89	R	86.9	Confident	77.4	Confident	114 Å²	114	73.9 Å²	73.9	43%	0.43	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.2	-179.4	-58.6	177.2	75.3	-156.8	-0.7	109.8	D72 E74 F76 P87	D72-R89 IonicContact OD1-CZ 2.75Å; D72-R89 IonicContact OD1-NH2 2.72Å; D72-R89 PolarHBondContact OD1-NH2 3.4Å; D72-R89 IonicContact OD2-CZ 3.66Å; D72-R89 IonicContact OD2-NE 3.52Å; D72-R89 PolarHBondContact OD2-NE 3.35Å; D72-R89 IonicContact OD2-NH2 2.66Å; D72-R89 PolarHBondContact OD2-NH2 3.04Å; E74-R89 IonicContact OE2-CZ 2.91Å; E74-R89 IonicContact OE2-NH1 3.64Å; E74-R89 PolarHBondContact OE2-NH1 3.24Å; E74-R89 IonicContact OE2-NH2 2.95Å; E74-R89 PolarHBondContact OE2-NH2 2.77Å; F76-R89 HydrophobicContact CB-CB 4.08Å; F76-R89 HydrophobicContact CD1-CB 4.26Å; F76-R89 HydrophobicContact CG-CB 4.45Å; P87-R89 PolarHBondContact O-N 2.67Å
90	F	87.7	Confident	77.7	Confident	20 Å²	20	74.2 Å²	74.2	9%	0.088	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	151.2	-177.5	-53.1	-88.2	0	0	0	109.9	F76 L77 K88 E95 L96 L99 Y100	F76-F90 CarbonylContact C-O 3.52Å; F76-F90 WeakPolarHBondContact CA-O 3.31Å; F76-F90 WeakPolarHBondContact CB-O 3.35Å; L77-F90 PolarHBondContact N-O 3.38Å; L77-F90 WeakPolarHBondContact O-CD2 3.35Å; L77-F90 PolarHBondContact O-N 2.79Å; K88-F90 HydrophobicContact CB-CE2 3.77Å; K88-F90 HydrophobicContact CB-CZ 3.68Å; K88-F90 WeakPolarHBondContact O-CD2 3.48Å; K88-F90 WeakPolarHBondContact O-CE2 3.41Å; F90-E95 HydrophobicContact CB-CB 4.29Å; F90-E95 HydrophobicContact CD1-CB 4.24Å; F90-L96 HydrophobicContact CB-CB 4.08Å; F90-L96 HydrophobicContact CD1-CB 4.18Å; F90-L96 HydrophobicContact CD2-CB 3.76Å; F90-L96 HydrophobicContact CD2-CD1 3.73Å; F90-L96 HydrophobicContact CD2-CG 3.7Å; F90-L96 HydrophobicContact CE2-CB 4.18Å; F90-L96 HydrophobicContact CE2-CD1 4.12Å; F90-L96 HydrophobicContact CE2-CG 3.81Å; F90-L96 HydrophobicContact CG-CB 3.74Å; F90-L96 HydrophobicContact CG-CD1 4.46Å; F90-L96 HydrophobicContact CG-CG 4.23Å; F90-L96 HydrophobicContact CZ-CG 4.41Å; F90-L99 HydrophobicContact CE1-CB 3.87Å; F90-L99 HydrophobicContact CE1-CD2 3.81Å; F90-L99 HydrophobicContact CE1-CG 4.43Å; F90-L99 HydrophobicContact CZ-CB 4.2Å; F90-L99 HydrophobicContact CZ-CD2 3.59Å; F90-Y100 HydrophobicContact CE2-CE2 4.21Å; F90-Y100 HydrophobicContact CZ-CE2 4.12Å
91	K	83.7	Confident	78	Confident	143 Å²	143	72.5 Å²	72.5	62%	0.622	40%	0.395	S	S	*	.	S	Bend	trans	-86.6	-22.4	177.4	-65.8	-176.3	177.6	-175.2	0	113	F76 E95	F76-K91 HydrophobicContact CD1-CG 3.78Å; F76-K91 HydrophobicContact CE1-CD 4.19Å; F76-K91 HydrophobicContact CE1-CG 3.5Å; F76-K91 HydrophobicContact CZ-CG 4.29Å; K91-E95 WeakPolarHBondContact CA-OE2 3.31Å; K91-E95 WeakPolarHBondContact CB-OE2 3.23Å; K91-E95 PolarHBondContact N-OE2 2.87Å
92	T	87.8	Confident	78.7	Confident	59 Å²	59	75 Å²	75	36%	0.362	40%	0.403	S	S	.	.	S	Bend	trans	-144.8	155.5	-177.2	69.5	0	0	0	0	112.2	E95 L96	T92-E95 PolarHBondContact N-OE2 2.82Å; T92-E95 PolarHBondContact O-N 3.27Å; T92-E95 WeakPolarHBondContact OG1-CG 3.44Å; T92-E95 PolarHBondContact OG1-N 2.85Å; T92-L96 PolarHBondContact O-N 3.2Å
93	L	87.1	Confident	79.9	Confident	16 Å²	16	74.3 Å²	74.3	8%	0.084	40%	0.397	C	S	.	.	H	α-helix	trans	-58.5	-39.8	174.6	-74	174.1	0	0	0	113.2	W19 Y20 V44 Y54 I69 L77 E95 L96 V97	W19-L93 HydrophobicContact CH2-CB 3.9Å; W19-L93 HydrophobicContact CZ3-CB 4.23Å; Y20-L93 HydrophobicContact CD2-CD1 4.39Å; Y20-L93 HydrophobicContact CE2-CD1 4.29Å; V44-L93 HydrophobicContact CG1-CD1 4.25Å; V44-L93 HydrophobicContact CG1-CD2 4.31Å; Y54-L93 HydrophobicContact CD1-CD1 3.89Å; Y54-L93 HydrophobicContact CD2-CD1 3.97Å; Y54-L93 HydrophobicContact CD2-CD2 3.84Å; Y54-L93 HydrophobicContact CD2-CG 4.16Å; Y54-L93 HydrophobicContact CE1-CD1 3.93Å; Y54-L93 HydrophobicContact CE2-CD1 4.01Å; Y54-L93 HydrophobicContact CE2-CD2 4.4Å; Y54-L93 HydrophobicContact CE2-CG 4.25Å; Y54-L93 HydrophobicContact CG-CD1 3.9Å; Y54-L93 HydrophobicContact CG-CD2 4.11Å; Y54-L93 HydrophobicContact CG-CG 4.49Å; I69-L93 HydrophobicContact CD1-CD2 3.85Å; I69-L93 HydrophobicContact CG2-CD2 4.27Å; L77-L93 HydrophobicContact CD1-CD2 3.76Å; L77-L93 HydrophobicContact CD1-CG 3.71Å; L93-E95 PolarHBondContact O-N 2.82Å; L93-L96 WeakPolarHBondContact O-CB 3.23Å; L93-L96 PolarHBondContact O-N 2.96Å; L93-V97 WeakPolarHBondContact O-CG2 3.28Å; L93-V97 PolarHBondContact O-N 3.02Å
94	P	90.4	Very high	81.4	Confident	60 Å²	60	73.2 Å²	73.2	39%	0.39	40%	0.396	S	S	.	.	H	α-helix	trans	-61.7	-35.4	174.3	-27.6	37.4	0	0	0	114.6	P17 W19 S98	P17-P94 HydrophobicContact CG-CG 4.45Å; W19-P94 HydrophobicContact CH2-CG 4.22Å; W19-P94 HydrophobicContact CZ2-CB 4.35Å; W19-P94 HydrophobicContact CZ2-CG 4.15Å; P94-S98 WeakPolarHBondContact O-CB 3.38Å; P94-S98 PolarHBondContact O-N 3.12Å; P94-S98 PolarHBondContact O-OG 3.28Å
95	E	87.9	Confident	82.9	Confident	87 Å²	87	72.2 Å²	72.2	41%	0.407	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-45.1	173	-74.1	167.6	-163.5	0	0	111.5	F90 K91 T92 L93 S98 L99	F90-E95 HydrophobicContact CB-CB 4.29Å; F90-E95 HydrophobicContact CD1-CB 4.24Å; K91-E95 WeakPolarHBondContact CA-OE2 3.31Å; K91-E95 WeakPolarHBondContact CB-OE2 3.23Å; K91-E95 PolarHBondContact N-OE2 2.87Å; T92-E95 PolarHBondContact N-OE2 2.82Å; T92-E95 PolarHBondContact O-N 3.27Å; T92-E95 WeakPolarHBondContact OG1-CG 3.44Å; T92-E95 PolarHBondContact OG1-N 2.85Å; L93-E95 PolarHBondContact O-N 2.82Å; E95-S98 PolarHBondContact O-N 3.31Å; E95-L99 PolarHBondContact O-N 2.85Å; E95-L99 VanDerWaalsContact O-N 3.16Å
96	L	90.8	Very high	83.5	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-59	-54.3	177.4	-174.9	156.5	0	0	0	110.6	I69 L77 V79 F90 T92 L93 S98 L99 Y100	I69-L96 HydrophobicContact CD1-CD1 3.84Å; I69-L96 HydrophobicContact CD1-CD2 3.76Å; I69-L96 HydrophobicContact CG1-CD1 3.98Å; I69-L96 HydrophobicContact CG1-CD2 4.48Å; I69-L96 HydrophobicContact CG2-CD1 3.75Å; L77-L96 HydrophobicContact CB-CD1 4.39Å; V79-L96 HydrophobicContact CG2-CD1 3.98Å; V79-L96 HydrophobicContact CG2-CD2 4.11Å; V79-L96 HydrophobicContact CG2-CG 4.22Å; F90-L96 HydrophobicContact CB-CB 4.08Å; F90-L96 HydrophobicContact CD1-CB 4.18Å; F90-L96 HydrophobicContact CD2-CB 3.76Å; F90-L96 HydrophobicContact CD2-CD1 3.73Å; F90-L96 HydrophobicContact CD2-CG 3.7Å; F90-L96 HydrophobicContact CE2-CB 4.18Å; F90-L96 HydrophobicContact CE2-CD1 4.12Å; F90-L96 HydrophobicContact CE2-CG 3.81Å; F90-L96 HydrophobicContact CG-CB 3.74Å; F90-L96 HydrophobicContact CG-CD1 4.46Å; F90-L96 HydrophobicContact CG-CG 4.23Å; F90-L96 HydrophobicContact CZ-CG 4.41Å; T92-L96 PolarHBondContact O-N 3.2Å; L93-L96 WeakPolarHBondContact O-CB 3.23Å; L93-L96 PolarHBondContact O-N 2.96Å; L96-S98 VanDerWaalsContact C-N 3.31Å; L96-S98 PolarHBondContact O-N 2.84Å; L96-L99 PolarHBondContact O-N 3.39Å; L96-Y100 HydrophobicContact CD2-CD2 3.84Å; L96-Y100 HydrophobicContact CD2-CE2 4.03Å; L96-Y100 HydrophobicContact CG-CD2 4.24Å; L96-Y100 HydrophobicContact CG-CE2 4.1Å; L96-Y100 WeakPolarHBondContact O-CD2 3.48Å; L96-Y100 PolarHBondContact O-N 2.94Å
97	V	90.7	Very high	84.7	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.024	35%	0.348	C	S	.	.	H	α-helix	trans	-60.4	-40.4	178	171.9	0	0	0	0	111.2	W19 F42 V44 L93 L99 Y100 L101 L111	W19-V97 HydrophobicContact CD2-CG2 4.37Å; W19-V97 HydrophobicContact CE3-CG2 4.09Å; W19-V97 HydrophobicContact CH2-CB 4.31Å; W19-V97 HydrophobicContact CH2-CG2 3.75Å; W19-V97 HydrophobicContact CZ2-CB 4.12Å; W19-V97 HydrophobicContact CZ2-CG1 4.33Å; W19-V97 HydrophobicContact CZ2-CG2 4Å; W19-V97 HydrophobicContact CZ3-CG2 3.78Å; F42-V97 HydrophobicContact CE2-CG1 3.75Å; F42-V97 HydrophobicContact CZ-CG1 3.96Å; V44-V97 HydrophobicContact CG2-CG2 4.12Å; L93-V97 WeakPolarHBondContact O-CG2 3.28Å; L93-V97 PolarHBondContact O-N 3.02Å; V97-L99 VanDerWaalsContact C-N 3.27Å; V97-L99 PolarHBondContact O-N 2.92Å; V97-Y100 PolarHBondContact O-N 2.98Å; V97-Y100 VanDerWaalsContact O-N 3.07Å; V97-L101 WeakPolarHBondContact O-CG 3.44Å; V97-L101 PolarHBondContact O-N 3.5Å; V97-L111 HydrophobicContact CG1-CD1 4.15Å
98	S	88.6	Confident	85.4	Confident	70 Å²	70	64.5 Å²	64.5	49%	0.49	35%	0.347	S	S	.	.	H	α-helix	trans	-61.3	-32.5	179.4	-63	0	0	0	0	113.5	P94 E95 L96	P94-S98 WeakPolarHBondContact O-CB 3.38Å; P94-S98 PolarHBondContact O-N 3.12Å; P94-S98 PolarHBondContact O-OG 3.28Å; E95-S98 PolarHBondContact O-N 3.31Å; L96-S98 VanDerWaalsContact C-N 3.31Å; L96-S98 PolarHBondContact O-N 2.84Å
99	L	89.1	Confident	85.8	Confident	50 Å²	50	61.3 Å²	61.3	26%	0.262	34%	0.335	S	S	.	.	H	α-helix	trans	-69.6	-47.4	171.4	-170	73.5	0	0	0	111.2	K88 F90 E95 L96 V97 L101 Q102 Q105	K88-L99 HydrophobicContact CD-CD2 3.41Å; K88-L99 VanDerWaalsContact CD-CD2 3.41Å; F90-L99 HydrophobicContact CE1-CB 3.87Å; F90-L99 HydrophobicContact CE1-CD2 3.81Å; F90-L99 HydrophobicContact CE1-CG 4.43Å; F90-L99 HydrophobicContact CZ-CB 4.2Å; F90-L99 HydrophobicContact CZ-CD2 3.59Å; E95-L99 PolarHBondContact O-N 2.85Å; E95-L99 VanDerWaalsContact O-N 3.16Å; L96-L99 PolarHBondContact O-N 3.39Å; V97-L99 VanDerWaalsContact C-N 3.27Å; V97-L99 PolarHBondContact O-N 2.92Å; L99-L101 PolarHBondContact O-N 3.16Å; L99-Q102 VanDerWaalsContact O-CB 3.23Å; L99-Q102 WeakPolarHBondContact O-CB 3.4Å; L99-Q102 WeakPolarHBondContact O-CG 3.48Å; L99-Q102 PolarHBondContact O-N 2.91Å; L99-Q105 HydrophobicContact CG-CG 4.22Å
100	Y	89.2	Confident	85.9	Confident	14 Å²	14	57.5 Å²	57.5	6%	0.055	33%	0.325	C	S	.	.	H	α-helix	trans	-75.9	-7.3	-173.8	-70.1	-69	0	0	0	114.9	V79 F90 L96 V97 Q102 Q105 L107 L111	V79-Y100 HydrophobicContact CG2-CD2 4.5Å; V79-Y100 HydrophobicContact CG2-CE2 3.55Å; F90-Y100 HydrophobicContact CE2-CE2 4.21Å; F90-Y100 HydrophobicContact CZ-CE2 4.12Å; L96-Y100 HydrophobicContact CD2-CD2 3.84Å; L96-Y100 HydrophobicContact CD2-CE2 4.03Å; L96-Y100 HydrophobicContact CG-CD2 4.24Å; L96-Y100 HydrophobicContact CG-CE2 4.1Å; L96-Y100 WeakPolarHBondContact O-CD2 3.48Å; L96-Y100 PolarHBondContact O-N 2.94Å; V97-Y100 PolarHBondContact O-N 2.98Å; V97-Y100 VanDerWaalsContact O-N 3.07Å; Y100-Q102 PolarHBondContact O-N 3.3Å; Y100-Q105 HydrophobicContact CD1-CB 3.65Å; Y100-Q105 HydrophobicContact CE1-CB 3.89Å; Y100-Q105 WeakPolarHBondContact CE1-O 3.36Å; Y100-L107 HydrophobicContact CD1-CD1 3.61Å; Y100-L107 HydrophobicContact CD1-CD2 4.11Å; Y100-L107 HydrophobicContact CD1-CG 3.49Å; Y100-L107 VanDerWaalsContact CD1-CG 3.49Å; Y100-L107 HydrophobicContact CE1-CD1 4.34Å; Y100-L107 HydrophobicContact CE1-CD2 4Å; Y100-L107 HydrophobicContact CE1-CG 3.81Å; Y100-L107 HydrophobicContact CG-CD1 3.78Å; Y100-L107 HydrophobicContact CG-CG 4.16Å; Y100-L111 WeakPolarHBondContact O-CB 3.47Å; Y100-L111 WeakPolarHBondContact O-CG 3.31Å; Y100-L111 PolarHBondContact O-N 3.04Å
101	L	87.7	Confident	86.2	Confident	76 Å²	76	56.6 Å²	56.6	40%	0.398	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.3	159.6	-69.5	172.3	0	0	0	113	F42 V97 L99 T110 L111	F42-L101 HydrophobicContact CE1-CD2 4.25Å; F42-L101 HydrophobicContact CZ-CD2 4.31Å; V97-L101 WeakPolarHBondContact O-CG 3.44Å; V97-L101 PolarHBondContact O-N 3.5Å; L99-L101 PolarHBondContact O-N 3.16Å; L101-T110 VanDerWaalsContact O-CG2 3.23Å; L101-T110 WeakPolarHBondContact O-CG2 3.47Å; L101-L111 HydrophobicContact CD2-CB 3.93Å; L101-L111 WeakPolarHBondContact CD2-O 3.45Å
102	Q	84.1	Confident	86.5	Confident	110 Å²	110	54.1 Å²	54.1	51%	0.514	31%	0.314	S	S	.	.	S	Bend	trans	-88.4	145.9	174.4	-57	-59.2	-43.3	0	0	111.2	L99 Y100 Q105	L99-Q102 VanDerWaalsContact O-CB 3.23Å; L99-Q102 WeakPolarHBondContact O-CB 3.4Å; L99-Q102 WeakPolarHBondContact O-CG 3.48Å; L99-Q102 PolarHBondContact O-N 2.91Å; Y100-Q102 PolarHBondContact O-N 3.3Å; Q102-Q105 HydrophobicContact CB-CG 4.04Å; Q102-Q105 WeakPolarHBondContact O-CG 3.5Å
103	P	80.1	Confident	86.7	Confident	73 Å²	73	56 Å²	56	47%	0.474	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	157.9	178.7	27	-34.6	0	0	0	113.2	Q105	P103-Q105 VanDerWaalsContact C-N 3.28Å; P103-Q105 PolarHBondContact O-N 2.9Å; P103-Q105 PolarHBondContact O-NE2 2.81Å; P103-Q105 VanDerWaalsContact O-NE2 3.09Å
104	N	74.6	Confident	86.9	Confident	159 Å²	159	57.3 Å²	57.3	85%	0.85	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	28.2	172.2	-58.6	-10.2	0	0	0	115.5
105	Q	82.3	Confident	86.8	Confident	58 Å²	58	55.2 Å²	55.2	27%	0.271	31%	0.314	S	S	.	.	S	Bend	trans	-85.3	0.2	-178.8	-63.4	-53.9	-52.6	0	0	115.7	L99 Y100 Q102 P103	L99-Q105 HydrophobicContact CG-CG 4.22Å; Y100-Q105 HydrophobicContact CD1-CB 3.65Å; Y100-Q105 HydrophobicContact CE1-CB 3.89Å; Y100-Q105 WeakPolarHBondContact CE1-O 3.36Å; Q102-Q105 HydrophobicContact CB-CG 4.04Å; Q102-Q105 WeakPolarHBondContact O-CG 3.5Å; P103-Q105 VanDerWaalsContact C-N 3.28Å; P103-Q105 PolarHBondContact O-N 2.9Å; P103-Q105 PolarHBondContact O-NE2 2.81Å; P103-Q105 VanDerWaalsContact O-NE2 3.09Å
106	G	74.4	Confident	86.6	Confident	67 Å²	67	54.8 Å²	54.8	69%	0.691	32%	0.315	S	S	*	.	S	Bend	trans	108	6.8	174.9	0	0	0	0	0	116.2
107	L	84.3	Confident	85.7	Confident	27 Å²	27	60.6 Å²	60.6	14%	0.141	34%	0.337	C	S	.	.	S	Bend	trans	-88.7	164.7	164.9	-55.5	-177.9	0	0	0	110.4	L56 Y67 Y100 T109 L111	L56-L107 HydrophobicContact CD2-CD1 3.97Å; Y67-L107 HydrophobicContact CD1-CD2 3.65Å; Y67-L107 HydrophobicContact CD2-CD2 3.87Å; Y67-L107 HydrophobicContact CE1-CD2 3.66Å; Y67-L107 HydrophobicContact CE2-CB 4.41Å; Y67-L107 HydrophobicContact CE2-CD2 3.88Å; Y67-L107 HydrophobicContact CG-CD2 3.76Å; Y100-L107 HydrophobicContact CD1-CD1 3.61Å; Y100-L107 HydrophobicContact CD1-CD2 4.11Å; Y100-L107 HydrophobicContact CD1-CG 3.49Å; Y100-L107 VanDerWaalsContact CD1-CG 3.49Å; Y100-L107 HydrophobicContact CE1-CD1 4.34Å; Y100-L107 HydrophobicContact CE1-CD2 4Å; Y100-L107 HydrophobicContact CE1-CG 3.81Å; Y100-L107 HydrophobicContact CG-CD1 3.78Å; Y100-L107 HydrophobicContact CG-CG 4.16Å; L107-T109 WeakPolarHBondContact CB-O 3.19Å; L107-T109 PolarHBondContact O-N 2.89Å; L107-L111 HydrophobicContact CD1-CD2 3.77Å; L107-L111 HydrophobicContact CD1-CG 4.05Å
108	V	85.1	Confident	84.4	Confident	54 Å²	54	67 Å²	67	33%	0.327	37%	0.366	S	S	.	.	S	Bend	trans	-61.9	-28.7	177.9	72	0	0	0	0	112.7	F60 H65 Y67	F60-V108 HydrophobicContact CB-CG1 3.83Å; F60-V108 HydrophobicContact CD1-CB 4.42Å; F60-V108 HydrophobicContact CD1-CG1 4.21Å; F60-V108 HydrophobicContact CD1-CG2 3.47Å; F60-V108 VanDerWaalsContact CD1-CG2 3.47Å; F60-V108 HydrophobicContact CE1-CG2 3.84Å; F60-V108 HydrophobicContact CG-CG1 4.19Å; F60-V108 HydrophobicContact CG-CG2 4.25Å; H65-V108 HydrophobicContact CB-CG1 4.1Å; Y67-V108 WeakPolarHBondContact OH-CB 3.29Å; Y67-V108 PolarHBondContact OH-N 3.35Å
109	T	88.8	Confident	82.3	Confident	27 Å²	27	72.5 Å²	72.5	17%	0.166	38%	0.384	C	S	.	.	S	Bend	trans	-150.2	158.8	171.1	-172	0	0	0	0	109.3	V58 F60 L107	V58-T109 HydrophobicContact CG1-CG2 3.73Å; F60-T109 HydrophobicContact CB-CG2 3.92Å; F60-T109 HydrophobicContact CD2-CG2 3.81Å; F60-T109 HydrophobicContact CG-CG2 4.12Å; L107-T109 WeakPolarHBondContact CB-O 3.19Å; L107-T109 PolarHBondContact O-N 2.89Å
110	T	90.7	Very high	79.8	Confident	33 Å²	33	76.3 Å²	76.3	20%	0.202	41%	0.41	C	S	.	.			trans	-61.4	147.1	171.2	-43.8	0	0	0	0	110.4	L101 L112	L101-T110 VanDerWaalsContact O-CG2 3.23Å; L101-T110 WeakPolarHBondContact O-CG2 3.47Å; T110-L112 HydrophobicContact CG2-CD2 4.23Å; T110-L112 PolarHBondContact O-N 2.81Å
111	L	93.6	Very high	77	Confident	2 Å²	2	80.2 Å²	80.2	1%	0.01	45%	0.445	C	S	.	.			trans	-71.3	124.7	168.2	-55.4	-175.1	0	0	0	108.8	F42 L56 V58 V97 Y100 L101 L107	F42-L111 HydrophobicContact CB-CD2 3.76Å; F42-L111 HydrophobicContact CD1-CB 3.73Å; F42-L111 HydrophobicContact CD1-CD2 4.24Å; F42-L111 HydrophobicContact CD1-CG 4.4Å; F42-L111 HydrophobicContact CD2-CD1 4.01Å; F42-L111 HydrophobicContact CD2-CD2 4.24Å; F42-L111 HydrophobicContact CD2-CG 4.49Å; F42-L111 HydrophobicContact CE1-CB 3.8Å; F42-L111 HydrophobicContact CE2-CD1 4.07Å; F42-L111 HydrophobicContact CG-CB 4.12Å; F42-L111 HydrophobicContact CG-CD1 4.31Å; F42-L111 HydrophobicContact CG-CD2 3.82Å; F42-L111 HydrophobicContact CG-CG 4.29Å; F42-L111 HydrophobicContact CZ-CB 4.25Å; F42-L111 HydrophobicContact CZ-CD1 4.41Å; L56-L111 HydrophobicContact CD1-CD1 4.18Å; L56-L111 HydrophobicContact CD1-CD2 4.16Å; L56-L111 HydrophobicContact CD2-CD1 4.32Å; L56-L111 HydrophobicContact CD2-CD2 4.46Å; V58-L111 HydrophobicContact CB-CD2 4.44Å; V58-L111 HydrophobicContact CG1-CD2 4.03Å; V58-L111 HydrophobicContact CG2-CD2 3.49Å; V58-L111 VanDerWaalsContact CG2-CD2 3.49Å; V97-L111 HydrophobicContact CG1-CD1 4.15Å; Y100-L111 WeakPolarHBondContact O-CB 3.47Å; Y100-L111 WeakPolarHBondContact O-CG 3.31Å; Y100-L111 PolarHBondContact O-N 3.04Å; L101-L111 HydrophobicContact CD2-CB 3.93Å; L101-L111 WeakPolarHBondContact CD2-O 3.45Å; L107-L111 HydrophobicContact CD1-CD2 3.77Å; L107-L111 HydrophobicContact CD1-CG 4.05Å
112	L	89.9	Confident	74.5	Confident	90 Å²	90	83 Å²	83	47%	0.471	47%	0.465	S	S	.	.			trans	-126.7	-40.7	-173.8	-63.8	178.1	0	0	0	113.6	G40 T110	G40-L112 PolarHBondContact O-N 2.92Å; T110-L112 HydrophobicContact CG2-CD2 4.23Å; T110-L112 PolarHBondContact O-N 2.81Å
113	Y	91.8	Very high	71.8	Confident	98 Å²	98	84.1 Å²	84.1	38%	0.384	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	111.9	-174.2	-46.5	-65.2	0	0	0	110.4	R38 D39 G40 S41 F42	R38-Y113 HydrophobicContact CB-CD2 4.01Å; R38-Y113 HydrophobicContact CB-CE2 4.08Å; D39-Y113 WeakPolarHBondContact O-CE2 3.32Å; G40-Y113 PolarHBondContact O-N 3.04Å; S41-Y113 CarbonylContact C-O 3.45Å; S41-Y113 VanDerWaalsContact CA-O 3.23Å; S41-Y113 WeakPolarHBondContact CA-O 3.5Å; F42-Y113 VanDerWaalsContact CD1-O 3.26Å; F42-Y113 WeakPolarHBondContact CD1-O 3.41Å; F42-Y113 PolarHBondContact N-O 2.78Å
114	A	90.3	Very high	69.5	Low	44 Å²	44	87.8 Å²	87.8	36%	0.364	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	142.4	167	0	0	0	0	0	109.8	W19 F42	W19-A114 HydrophobicContact CB-CB 3.95Å; F42-A114 HydrophobicContact CE1-CB 4.4Å; F42-A114 HydrophobicContact CZ-CB 4.37Å
115	V	90.1	Very high	67.7	Low	16 Å²	16	86.8 Å²	86.8	10%	0.097	49%	0.49	C	S	.	.			trans	-112.3	125	171.1	179.5	0	0	0	0	108.7	H21 L32 L33 A36 F42	H21-V115 PolarHBondContact NE2-O 3.33Å; L32-V115 HydrophobicContact CB-CG1 4.25Å; L33-V115 HydrophobicContact CD2-CG2 3.92Å; A36-V115 HydrophobicContact CB-CG1 4.49Å; A36-V115 HydrophobicContact CB-CG2 3.74Å; F42-V115 PolarHBondContact O-N 2.86Å
116	D	83.3	Confident	65.2	Low	78 Å²	78	94.3 Å²	94.3	42%	0.417	52%	0.515	S	S	.	.			trans	-92.1	165	-173.8	-54.2	-31.5	0	0	0	111.5	M18 H21	M18-D116 WeakPolarHBondContact CB-OD1 3.45Å; H21-D116 VanDerWaalsContact CE1-C 3.41Å
117	R	71.7	Confident	63.1	Low	123 Å²	123	97 Å²	97	46%	0.464	51%	0.514	S	S	.	.			trans	-89.2	124	-179.3	-160.8	172.9	-178.5	171.9	2.9	109.5	H21 D23 E119	H21-R117 PolarHBondContact CE1-N 3.25Å; H21-R117 VanDerWaalsContact CE1-N 3.34Å; D23-R117 IonicContact OD2-CZ 3.89Å; D23-R117 IonicContact OD2-NH1 2.93Å; D23-R117 PolarHBondContact OD2-NH1 3.3Å; D23-R117 IonicContact OD2-NH2 3.27Å; R117-E119 PolarHBondContact O-N 2.67Å; R117-E119 VanDerWaalsContact O-N 3.14Å
118	E	62.3	Low	60.5	Low	137 Å²	137	106.2 Å²	106.2	64%	0.64	55%	0.548	S	S	*	.			trans	-65.4	111.1	166	-72.8	-174.5	114.3	0	0	108.5	R35 T120	R35-E118 IonicContact NH1-OE2 3.46Å; R35-E118 PolarHBondContact NH1-OE2 2.71Å; E118-T120 PolarHBondContact O-N 3.5Å
119	E	44.5	Very low	57.8	Low	186 Å²	186	108.3 Å²	108.3	87%	0.869	57%	0.566	S	S	*	*			trans	-75.3	117.9	171.9	-71.6	-165.7	142.1	0	0	109.9	R117 A121	R117-E119 PolarHBondContact O-N 2.67Å; R117-E119 VanDerWaalsContact O-N 3.14Å; E119-A121 PolarHBondContact O-N 2.87Å
120	T	37.3	Very low	55	Low	131 Å²	131	115 Å²	115	80%	0.804	60%	0.6	S	S	*	*			trans	-71.3	91.7	172.7	50.8	0	0	0	0	109.8	E118 V122	E118-T120 PolarHBondContact O-N 3.5Å; T120-V122 PolarHBondContact O-N 2.83Å; T120-V122 VanDerWaalsContact O-N 3.14Å
121	A	30.5	Very low	52.1	Low	95 Å²	95	116.7 Å²	116.7	79%	0.785	62%	0.624	S	S	*	*			trans	-63	112	174.2	0	0	0	0	0	110.6	E119	E119-A121 PolarHBondContact O-N 2.87Å
122	V	34.2	Very low	49.2	Very low	134 Å²	134	125.7 Å²	125.7	81%	0.812	67%	0.667	S	S	*	*			trans	-101.3	116.1	170.2	178.7	0	0	0	0	108	T120	T120-V122 PolarHBondContact O-N 2.83Å; T120-V122 VanDerWaalsContact O-N 3.14Å
123	T	29.3	Very low	46.6	Very low	134 Å²	134	128.5 Å²	128.5	82%	0.822	68%	0.682	S	S	*	*			trans	-131.6	134.7	168.2	46.9	0	0	0	0	110.6
124	D	31.3	Very low	43.5	Very low	150 Å²	150	131.4 Å²	131.4	80%	0.802	70%	0.699	S	S	*	*			trans	-71	169.9	-168.8	-152.9	-4.6	0	0	0	114.2
125	D	35.6	Very low	40.6	Very low	139 Å²	139	137.9 Å²	137.9	74%	0.743	72%	0.719	S	S	*	*			trans	-64.7	138.4	177.8	-80.8	-49.7	0	0	0	113.4
126	R	30.6	Very low	38.6	Very low	215 Å²	215	142.4 Å²	142.4	81%	0.811	75%	0.749	S	S	*	*				-177.7	143.2	128.3	-105.2	167.7	-112.8	-147.7	-6.6	118.3
127	D	29.8	Very low	36.7	Very low	124 Å²	124	144.2 Å²	144.2	66%	0.663	77%	0.765	S	S	*	*			trans	54.8	110	141.1	-63.5	-29.7	0	0	0	122.9
128	Y	29.4	Very low	34.8	Very low	220 Å²	220	146.1 Å²	146.1	86%	0.863	78%	0.783	S	S	*	*				63.1	128.1	124.9	-86.4	-84.1	0	0	0	123.6
129	S	28.3	Very low	34.1	Very low	99 Å²	99	145.1 Å²	145.1	69%	0.692	79%	0.789	S	S	*	*			trans	88.9	100.5	133.6	-157.1	0	0	0	0	120.1
130	D	31.1	Very low	34.1	Very low	166 Å²	166	141.2 Å²	141.2	89%	0.888	78%	0.779	S	S	*	*				59.1	144.4	116.7	-154.3	21.2	0	0	0	121.1
131	G	29.4	Very low	33.9	Very low	69 Å²	69	146 Å²	146	71%	0.711	78%	0.783	S	S	*	*			trans	132.6	128.8	172.8	0	0	0	0	0	115.3
132	E	32.2	Very low	33.8	Very low	192 Å²	192	147 Å²	147	90%	0.897	78%	0.784	S	S	*	*			trans	-89.3	171.2	-176.2	-58.8	176.9	108.4	0	0	113.8
133	D	35.3	Very low	33.6	Very low	149 Å²	149	144.9 Å²	144.9	80%	0.797	78%	0.78	S	S	*	*				123.2	145.2	123.2	-135.8	1.7	0	0	0	121.2
134	E	26.5	Very low	33.6	Very low	159 Å²	159	143.9 Å²	143.9	74%	0.743	78%	0.779	S	S	*	*			trans	66.6	157.5	154.9	-87.1	-77.8	54.8	0	0	126.2
135	K	28.9	Very low	33.6	Very low	180 Å²	180	143 Å²	143	78%	0.783	78%	0.779	S	S	*	*			trans	-109.6	-158.9	-179.9	-115.3	169.2	-173.9	162	0	109.5
136	P	48.6	Very low	33.2	Very low	110 Å²	110	141.5 Å²	141.5	71%	0.714	78%	0.779	S	S	*	*			cis	-120.6	-143.7	-21.6	35.1	-12.4	0	0	0	109.2
137	P	43.4	Very low	33.2	Very low	116 Å²	116	137.4 Å²	137.4	75%	0.753	78%	0.779	S	S	*	*			cis	-135.5	-180	-10.6	42	-22.6	0	0	0	118
138	L	31.6	Very low	34.4	Very low	164 Å²	164	137 Å²	137	86%	0.859	78%	0.782	S	S	*	*			trans	-95.7	-170.4	169.9	-65.7	169.5	0	0	0	109.8
139	P	48.1	Very low	35.5	Very low	116 Å²	116	132.3 Å²	132.3	75%	0.753	78%	0.779	S	S	*	*			cis	-142.2	-149.2	18.1	43.4	-18.3	0	0	0	112.7
140	P	44.8	Very low	35.4	Very low	103 Å²	103	131.1 Å²	131.1	67%	0.669	78%	0.783	S	S	*	*			cis	-140.5	160.7	-3.7	40.7	-20.9	0	0	0	120.4
141	R	32.6	Very low	36.5	Very low	232 Å²	232	129 Å²	129	88%	0.875	78%	0.778	S	S	*	*			trans	44.7	136.1	137.9	-59.5	175.8	176.2	162.4	-0.7	119.8
142	S	29.1	Very low	36.2	Very low	116 Å²	116	134.8 Å²	134.8	81%	0.811	79%	0.787	S	S	*	*				-166.1	162.1	51.9	-60.9	0	0	0	0	109.9
143	A	29.4	Very low	36.1	Very low	89 Å²	89	131.8 Å²	131.8	74%	0.736	78%	0.781	S	S	*	*			cis	-162.2	-160.6	-15.1	0	0	0	0	0	106.1
144	S	30.3	Very low	36.6	Very low	114 Å²	114	129.7 Å²	129.7	80%	0.797	78%	0.776	S	S	*	*			cis	-157.1	-179.6	21.1	-76.5	0	0	0	0	113.2
145	T	29.9	Very low	37	Very low	130 Å²	130	128 Å²	128	80%	0.798	78%	0.777	S	S	*	*			trans	-57.2	163.3	172.8	34.8	0	0	0	0	118
146	S	27	Very low	36.8	Very low	108 Å²	108	129 Å²	129	76%	0.755	78%	0.784	S	S	*	*			cis	-168.2	149.7	3.1	36	0	0	0	0	114.4
147	T	31.1	Very low	36.4	Very low	130 Å²	130	128.8 Å²	128.8	80%	0.798	79%	0.785	S	S	*	*			trans	-100.4	-171.7	150.5	55.6	0	0	0	0	108.7
148	P	56.1	Low	35.6	Very low	114 Å²	114	129.8 Å²	129.8	74%	0.74	79%	0.789	S	S	*	*			cis	-131.3	-136.9	1.7	42.8	-20.5	0	0	0	109.9
149	P	52	Low	35.8	Very low	123 Å²	123	129.9 Å²	129.9	80%	0.799	79%	0.79	S	S	*	*			cis	-130.8	179.3	-24.3	38.3	-20.7	0	0	0	115.2
150	G	27.1	Very low	35.6	Very low	74 Å²	74	129.6 Å²	129.6	76%	0.763	80%	0.798	S	S	*	*			trans	162.4	117.4	161.2	0	0	0	0	0	113.3
151	P	53.1	Low	35.1	Very low	121 Å²	121	128 Å²	128	79%	0.786	79%	0.793	S	S	*	*			trans	-107.8	158.7	-171.2	39.5	-33.6	0	0	0	114.7
152	E	23.9	Very low	35.7	Very low	191 Å²	191	123.3 Å²	123.3	89%	0.893	79%	0.785	S	S	*	*				-170	164.3	127.4	-109.4	169	-154.1	0	0	112.5
153	T	30.1	Very low	36.6	Very low	128 Å²	128	120.1 Å²	120.1	79%	0.785	77%	0.771	S	S	*	*			trans	-121.2	171.7	172	53.7	0	0	0	0	107.5
154	P	44.8	Very low	37.4	Very low	105 Å²	105	122.7 Å²	122.7	68%	0.682	77%	0.771	S	S	*	*			cis	-143.4	-173.2	19.3	39.9	-17.1	0	0	0	116.9
155	T	34.7	Very low	38.4	Very low	125 Å²	125	120.3 Å²	120.3	77%	0.767	76%	0.755	S	S	*	*			trans	34.4	122.2	150.8	52.4	0	0	0	0	121.3
156	E	26	Very low	39.7	Very low	200 Å²	200	117.2 Å²	117.2	94%	0.935	74%	0.736	S	S	*	*				-152.1	172.9	112.7	-131.1	176.5	-164.2	0	0	111.6
157	S	39.1	Very low	41.2	Very low	105 Å²	105	113.4 Å²	113.4	73%	0.734	71%	0.707	S	S	*	*			trans	-117.2	143.3	-170.2	61.5	0	0	0	0	112.9
158	T	28.1	Very low	42.7	Very low	137 Å²	137	110.3 Å²	110.3	84%	0.84	69%	0.691	S	S	*	*			trans	-155.6	127.6	161.2	-16.3	0	0	0	0	114
159	L	34	Very low	43.1	Very low	166 Å²	166	110.5 Å²	110.5	87%	0.869	68%	0.681	S	S	*	*			trans	-0.8	129.1	161	-66.5	158.4	0	0	0	119.3
160	A	43.7	Very low	43.6	Very low	111 Å²	111	111.2 Å²	111.2	92%	0.917	67%	0.674	S	S	*	*			trans	-69.7	134.6	167.9	0	0	0	0	0	112.2
161	A	35.4	Very low	45.9	Very low	69 Å²	69	109 Å²	109	57%	0.57	64%	0.643	S	S	*	*			trans	-142.1	132	176.1	0	0	0	0	0	112	G163	A161-G163 PolarHBondContact O-N 3.34Å
162	N	45.6	Very low	46.9	Very low	133 Å²	133	108.8 Å²	108.8	71%	0.711	63%	0.634	S	S	*	*			trans	-1.3	101.1	171.5	-61.6	-6.5	0	0	0	116.5	L164 S165 T166	N162-L164 PolarHBondContact O-N 3.21Å; N162-S165 PolarHBondContact O-N 2.8Å; N162-S165 PolarHBondContact O-OG 2.92Å; N162-S165 VanDerWaalsContact O-OG 3.06Å; N162-T166 PolarHBondContact O-OG1 3.24Å
163	G	48.1	Very low	49.2	Very low	50 Å²	50	107.8 Å²	107.8	52%	0.515	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.4	15.5	-173.4	0	0	0	0	0	117.8	A161 I167	A161-G163 PolarHBondContact O-N 3.34Å; G163-I167 WeakPolarHBondContact O-CD1 3.39Å; G163-I167 WeakPolarHBondContact O-CG1 3.29Å
164	L	45.3	Very low	50.7	Low	142 Å²	142	103.7 Å²	103.7	74%	0.743	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.6	-41.3	170.6	-76.7	170.4	0	0	0	111.7	N162 T166 I167 S168	N162-L164 PolarHBondContact O-N 3.21Å; L164-T166 VanDerWaalsContact C-N 3.31Å; L164-T166 PolarHBondContact O-N 2.96Å; L164-I167 PolarHBondContact O-N 2.7Å; L164-S168 PolarHBondContact O-N 2.9Å; L164-S168 PolarHBondContact O-OG 3.49Å
165	S	52.5	Low	52.2	Low	65 Å²	65	100 Å²	100	46%	0.455	59%	0.587	S	S	.	*	H	α-helix	trans	-66.7	-32.7	177.7	48.5	0	0	0	0	112.7	N162 I167 S168 H169	N162-S165 PolarHBondContact O-N 2.8Å; N162-S165 PolarHBondContact O-OG 2.92Å; N162-S165 VanDerWaalsContact O-OG 3.06Å; S165-I167 VanDerWaalsContact C-N 3.32Å; S165-S168 WeakPolarHBondContact CA-OG 3.4Å; S165-S168 PolarHBondContact O-OG 3.32Å; S165-H169 WeakPolarHBondContact O-CB 3.35Å; S165-H169 PolarHBondContact O-N 3.29Å
166	T	56.6	Low	54.3	Low	64 Å²	64	99.3 Å²	99.3	39%	0.393	57%	0.571	S	S	.	*	H	α-helix	trans	-63.3	-36.6	172.9	32.8	0	0	0	0	112.4	N162 L164 H169 E170	N162-T166 PolarHBondContact O-OG1 3.24Å; L164-T166 VanDerWaalsContact C-N 3.31Å; L164-T166 PolarHBondContact O-N 2.96Å; T166-H169 CarbonylContact O-C 3.42Å; T166-H169 WeakPolarHBondContact O-CB 3.18Å; T166-H169 PolarHBondContact O-N 2.93Å; T166-E170 PolarHBondContact O-N 3.35Å
167	I	59	Low	56.9	Low	29 Å²	29	92.7 Å²	92.7	15%	0.149	55%	0.55	C	S	.	*	H	α-helix	trans	-72.7	-43.6	-177.3	-60.3	-174.8	0	0	0	111.3	G163 L164 S165 H169 E170 Y171 T196 S200	G163-I167 WeakPolarHBondContact O-CD1 3.39Å; G163-I167 WeakPolarHBondContact O-CG1 3.29Å; L164-I167 PolarHBondContact O-N 2.7Å; S165-I167 VanDerWaalsContact C-N 3.32Å; I167-H169 PolarHBondContact O-N 3.39Å; I167-E170 PolarHBondContact O-N 2.72Å; I167-Y171 PolarHBondContact O-N 2.74Å; I167-T196 HydrophobicContact CG2-CG2 3.57Å; I167-S200 WeakPolarHBondContact CD1-OG 3.41Å; I167-S200 VanDerWaalsContact CG2-OG 3.32Å; I167-S200 WeakPolarHBondContact CG2-OG 3.13Å
168	S	61.8	Low	58.9	Low	65 Å²	65	92.3 Å²	92.3	46%	0.455	54%	0.54	S	S	.	.	H	α-helix	trans	-58.2	-35.6	170	42.6	0	0	0	0	111.9	L164 S165 L172	L164-S168 PolarHBondContact O-N 2.9Å; L164-S168 PolarHBondContact O-OG 3.49Å; S165-S168 WeakPolarHBondContact CA-OG 3.4Å; S165-S168 PolarHBondContact O-OG 3.32Å; S168-L172 WeakPolarHBondContact O-CB 3.42Å; S168-L172 WeakPolarHBondContact O-CD1 3.45Å; S168-L172 VanDerWaalsContact O-CG 3.22Å; S168-L172 WeakPolarHBondContact O-CG 3.49Å; S168-L172 PolarHBondContact O-N 2.61Å; S168-L172 VanDerWaalsContact O-N 3.07Å
169	H	65.4	Low	61.6	Low	118 Å²	118	85.9 Å²	85.9	55%	0.546	50%	0.5	S	S	.	.	H	α-helix	trans	-75.4	-36.9	179.7	-168.8	-98	0	0	0	112.8	S165 T166 I167 K173	S165-H169 WeakPolarHBondContact O-CB 3.35Å; S165-H169 PolarHBondContact O-N 3.29Å; T166-H169 CarbonylContact O-C 3.42Å; T166-H169 WeakPolarHBondContact O-CB 3.18Å; T166-H169 PolarHBondContact O-N 2.93Å; I167-H169 PolarHBondContact O-N 3.39Å; H169-K173 WeakPolarHBondContact O-CB 3.33Å; H169-K173 PolarHBondContact O-N 2.86Å
170	E	62.4	Low	63.8	Low	137 Å²	137	81.2 Å²	81.2	64%	0.64	48%	0.476	S	S	*	.	H	α-helix	trans	-61.8	-46.6	170.7	-80	-169.1	119.6	0	0	111.9	T166 I167 K173 G174	T166-E170 PolarHBondContact O-N 3.35Å; I167-E170 PolarHBondContact O-N 2.72Å; E170-K173 PolarHBondContact O-N 3.17Å; E170-G174 PolarHBondContact O-N 3.36Å
171	Y	74.5	Confident	65.5	Low	28 Å²	28	80 Å²	80	11%	0.11	45%	0.451	C	S	.	.	I	π-helix	trans	-61.8	-51.6	179	-179.8	-104.6	0	0	0	111.4	I167 K173 G174 S175 Y176 D179 L193	I167-Y171 PolarHBondContact O-N 2.74Å; Y171-K173 VanDerWaalsContact C-N 3.32Å; Y171-K173 PolarHBondContact O-N 2.96Å; Y171-G174 PolarHBondContact O-N 2.69Å; Y171-S175 VanDerWaalsContact CD2-CB 3.42Å; Y171-S175 PolarHBondContact O-N 3.21Å; Y171-S175 VanDerWaalsContact O-N 3.1Å; Y171-Y176 AromaticContact CE1-CD2 3.93Å; Y171-Y176 HydrophobicContact CE1-CD2 3.93Å; Y171-Y176 HydrophobicContact CE1-CG 4.31Å; Y171-Y176 WeakPolarHBondContact O-CB 3.25Å; Y171-Y176 PolarHBondContact O-N 2.88Å; Y171-D179 PolarHBondContact OH-OD2 3.02Å; Y171-L193 HydrophobicContact CD1-CD1 4.07Å; Y171-L193 HydrophobicContact CD2-CB 4.19Å; Y171-L193 HydrophobicContact CD2-CD1 3.95Å; Y171-L193 HydrophobicContact CE1-CD1 3.99Å; Y171-L193 VanDerWaalsContact CE2-CA 3.49Å; Y171-L193 HydrophobicContact CE2-CB 3.5Å; Y171-L193 VanDerWaalsContact CE2-CB 3.5Å; Y171-L193 HydrophobicContact CE2-CD1 3.93Å; Y171-L193 HydrophobicContact CE2-CG 4.25Å; Y171-L193 HydrophobicContact CG-CD1 4.05Å
172	L	74	Confident	67.4	Low	117 Å²	117	77.9 Å²	77.9	61%	0.613	43%	0.433	S	S	*	.	I	π-helix	trans	-67.1	-28.7	-177	-68.9	170.7	0	0	0	113.6	S168	S168-L172 WeakPolarHBondContact O-CB 3.42Å; S168-L172 WeakPolarHBondContact O-CD1 3.45Å; S168-L172 VanDerWaalsContact O-CG 3.22Å; S168-L172 WeakPolarHBondContact O-CG 3.49Å; S168-L172 PolarHBondContact O-N 2.61Å; S168-L172 VanDerWaalsContact O-N 3.07Å
173	K	71.5	Confident	68.9	Low	170 Å²	170	74.9 Å²	74.9	74%	0.739	42%	0.42	S	S	*	.	I	π-helix	trans	-83.9	-15.1	-177.4	-169.9	172.1	177.9	-176.1	0	114.3	H169 E170 Y171	H169-K173 WeakPolarHBondContact O-CB 3.33Å; H169-K173 PolarHBondContact O-N 2.86Å; E170-K173 PolarHBondContact O-N 3.17Å; Y171-K173 VanDerWaalsContact C-N 3.32Å; Y171-K173 PolarHBondContact O-N 2.96Å
174	G	63.3	Low	70.2	Confident	41 Å²	41	78.9 Å²	78.9	42%	0.423	42%	0.423	S	S	.	.	I	π-helix	trans	-148.6	-56.3	-178.9	0	0	0	0	0	115.1	E170 Y171 Y176 A177	E170-G174 PolarHBondContact O-N 3.36Å; Y171-G174 PolarHBondContact O-N 2.69Å; G174-Y176 PolarHBondContact O-N 3.12Å; G174-A177 PolarHBondContact O-N 3.13Å
175	S	74.8	Confident	71.5	Confident	29 Å²	29	79.6 Å²	79.6	20%	0.203	42%	0.422	C	S	.	.	I	π-helix	trans	-67.1	-32.7	-173.3	-62.5	0	0	0	0	114.3	Y171 A177 L178 D179	Y171-S175 VanDerWaalsContact CD2-CB 3.42Å; Y171-S175 PolarHBondContact O-N 3.21Å; Y171-S175 VanDerWaalsContact O-N 3.1Å; S175-A177 VanDerWaalsContact C-N 3.3Å; S175-A177 PolarHBondContact O-N 2.98Å; S175-L178 PolarHBondContact O-N 3.38Å; S175-L178 VanDerWaalsContact O-N 3.13Å; S175-D179 PolarHBondContact O-N 3.34Å; S175-D179 VanDerWaalsContact O-N 3.12Å
176	Y	79.1	Confident	71.9	Confident	110 Å²	110	79.7 Å²	79.7	43%	0.431	43%	0.433	S	S	.	.	H	α-helix	trans	-57.6	-39.8	179.9	170.9	-112.5	0	0	0	112.9	Y171 G174 L178 L180	Y171-Y176 AromaticContact CE1-CD2 3.93Å; Y171-Y176 HydrophobicContact CE1-CD2 3.93Å; Y171-Y176 HydrophobicContact CE1-CG 4.31Å; Y171-Y176 WeakPolarHBondContact O-CB 3.25Å; Y171-Y176 PolarHBondContact O-N 2.88Å; G174-Y176 PolarHBondContact O-N 3.12Å; Y176-L178 VanDerWaalsContact C-N 3.31Å; Y176-L178 PolarHBondContact O-N 3.43Å; Y176-L180 HydrophobicContact CE1-CD2 4.21Å; Y176-L180 WeakPolarHBondContact O-CB 3.44Å; Y176-L180 PolarHBondContact O-N 2.86Å
177	A	80.4	Confident	72.5	Confident	60 Å²	60	78.5 Å²	78.5	50%	0.496	43%	0.431	S	S	.	.	H	α-helix	trans	-65.3	-35.8	178.7	0	0	0	0	0	112.2	G174 S175 E181	G174-A177 PolarHBondContact O-N 3.13Å; S175-A177 VanDerWaalsContact C-N 3.3Å; S175-A177 PolarHBondContact O-N 2.98Å; A177-E181 WeakPolarHBondContact O-CB 3.43Å; A177-E181 PolarHBondContact O-N 3.44Å
178	L	80.8	Confident	72.9	Confident	98 Å²	98	83.3 Å²	83.3	51%	0.513	47%	0.467	S	S	.	.	H	α-helix	trans	-72	-43.1	179.6	-59.2	175	0	0	0	111.8	S175 Y176 E181 A182	S175-L178 PolarHBondContact O-N 3.38Å; S175-L178 VanDerWaalsContact O-N 3.13Å; Y176-L178 VanDerWaalsContact C-N 3.31Å; Y176-L178 PolarHBondContact O-N 3.43Å; L178-E181 PolarHBondContact O-N 2.77Å; L178-A182 WeakPolarHBondContact O-CB 3.42Å; L178-A182 PolarHBondContact O-N 2.84Å
179	D	85.9	Confident	73.3	Confident	1 Å²	1	83.7 Å²	83.7	1%	0.005	47%	0.469	C	S	.	.	H	α-helix	trans	-67.9	-38.6	174.7	-81.5	-12.8	0	0	0	111.9	Y171 S175 E181 A182 V183 L190 P191 H192 L193	Y171-D179 PolarHBondContact OH-OD2 3.02Å; S175-D179 PolarHBondContact O-N 3.34Å; S175-D179 VanDerWaalsContact O-N 3.12Å; D179-E181 VanDerWaalsContact C-N 3.33Å; D179-E181 PolarHBondContact O-N 2.92Å; D179-A182 PolarHBondContact O-N 3.12Å; D179-V183 WeakPolarHBondContact O-CG2 3.43Å; D179-V183 PolarHBondContact O-N 3.38Å; D179-L190 HydrophobicContact CB-CD2 4.11Å; D179-P191 WeakPolarHBondContact OD1-CD 3.49Å; D179-H192 WeakPolarHBondContact OD1-CB 3.28Å; D179-H192 IonicContact OD1-CE1 3.96Å; D179-H192 IonicContact OD1-CG 3.61Å; D179-H192 PolarHBondContact OD1-N 2.64Å; D179-H192 IonicContact OD1-ND1 2.93Å; D179-H192 PolarHBondContact OD1-ND1 2.8Å; D179-H192 PolarHBondContact OD2-N 3.43Å; D179-L193 WeakPolarHBondContact OD2-CB 3.44Å; D179-L193 PolarHBondContact OD2-N 3.37Å
180	L	80.4	Confident	74.2	Confident	69 Å²	69	81.4 Å²	81.4	36%	0.361	46%	0.461	S	S	.	.	H	α-helix	trans	-62.2	-39.6	175.3	-179.5	63.1	0	0	0	111.8	Y176 K184	Y176-L180 HydrophobicContact CE1-CD2 4.21Å; Y176-L180 WeakPolarHBondContact O-CB 3.44Å; Y176-L180 PolarHBondContact O-N 2.86Å; L180-K184 WeakPolarHBondContact O-CG 3.31Å; L180-K184 PolarHBondContact O-N 3.26Å; L180-K184 VanDerWaalsContact O-N 3.15Å
181	E	79.6	Confident	74.7	Confident	85 Å²	85	78 Å²	78	40%	0.397	45%	0.45	S	S	.	.	H	α-helix	trans	-71.1	-37.1	176.3	-151.3	61.1	-147.9	0	0	111.9	A177 L178 D179 V183 K184 Q185	A177-E181 WeakPolarHBondContact O-CB 3.43Å; A177-E181 PolarHBondContact O-N 3.44Å; L178-E181 PolarHBondContact O-N 2.77Å; D179-E181 VanDerWaalsContact C-N 3.33Å; D179-E181 PolarHBondContact O-N 2.92Å; E181-V183 PolarHBondContact O-N 3.23Å; E181-K184 PolarHBondContact O-N 3.09Å; E181-K184 IonicContact OE1-NZ 2.69Å; E181-K184 IonicContact OE2-NZ 3.43Å; E181-K184 PolarHBondContact OE2-NZ 3.09Å; E181-Q185 WeakPolarHBondContact O-CG 3.33Å; E181-Q185 PolarHBondContact O-N 2.69Å; E181-Q185 VanDerWaalsContact O-N 3.1Å
182	A	75.6	Confident	74.9	Confident	24 Å²	24	79.8 Å²	79.8	20%	0.198	46%	0.459	C	S	.	.	H	α-helix	trans	-62.3	-41	173	0	0	0	0	0	112.4	L178 D179 Q185 G186 A187	L178-A182 WeakPolarHBondContact O-CB 3.42Å; L178-A182 PolarHBondContact O-N 2.84Å; D179-A182 PolarHBondContact O-N 3.12Å; A182-Q185 CarbonylContact O-C 3.54Å; A182-Q185 WeakPolarHBondContact O-CA 3.4Å; A182-Q185 PolarHBondContact O-N 3.07Å; A182-Q185 VanDerWaalsContact O-N 3.13Å; A182-G186 PolarHBondContact O-N 2.91Å; A182-A187 HydrophobicContact CB-CB 3.99Å; A182-A187 WeakPolarHBondContact O-CB 3.39Å; A182-A187 PolarHBondContact O-N 3.01Å
183	V	75.3	Confident	75.1	Confident	70 Å²	70	76.5 Å²	76.5	42%	0.424	44%	0.442	S	S	.	.	H	α-helix	trans	-65	-41	175.6	170.3	0	0	0	0	111.8	D179 E181 Q185 G186 L190	D179-V183 WeakPolarHBondContact O-CG2 3.43Å; D179-V183 PolarHBondContact O-N 3.38Å; E181-V183 PolarHBondContact O-N 3.23Å; V183-Q185 PolarHBondContact O-N 3.29Å; V183-G186 PolarHBondContact O-N 3.33Å; V183-L190 HydrophobicContact CG2-CD2 3.44Å; V183-L190 VanDerWaalsContact CG2-CD2 3.44Å
184	K	76.8	Confident	75.4	Confident	135 Å²	135	73.1 Å²	73.1	59%	0.587	43%	0.433	S	S	*	.	H	α-helix	trans	-60.3	-30.3	172.2	-68.6	172.2	-164	163.7	0	112.7	L180 E181 G186	L180-K184 WeakPolarHBondContact O-CG 3.31Å; L180-K184 PolarHBondContact O-N 3.26Å; L180-K184 VanDerWaalsContact O-N 3.15Å; E181-K184 PolarHBondContact O-N 3.09Å; E181-K184 IonicContact OE1-NZ 2.69Å; E181-K184 IonicContact OE2-NZ 3.43Å; E181-K184 PolarHBondContact OE2-NZ 3.09Å; K184-G186 VanDerWaalsContact C-N 3.25Å; K184-G186 PolarHBondContact O-N 2.86Å
185	Q	71.9	Confident	76.1	Confident	156 Å²	156	78.9 Å²	78.9	73%	0.729	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	8.4	175.6	-65.4	173.8	23	0	0	113.1	E181 A182 V183	E181-Q185 WeakPolarHBondContact O-CG 3.33Å; E181-Q185 PolarHBondContact O-N 2.69Å; E181-Q185 VanDerWaalsContact O-N 3.1Å; A182-Q185 CarbonylContact O-C 3.54Å; A182-Q185 WeakPolarHBondContact O-CA 3.4Å; A182-Q185 PolarHBondContact O-N 3.07Å; A182-Q185 VanDerWaalsContact O-N 3.13Å; V183-Q185 PolarHBondContact O-N 3.29Å
186	G	60.5	Low	76.2	Confident	67 Å²	67	78.8 Å²	78.8	69%	0.691	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	11.6	173.1	0	0	0	0	0	115.6	A182 V183 K184 S188	A182-G186 PolarHBondContact O-N 2.91Å; V183-G186 PolarHBondContact O-N 3.33Å; K184-G186 VanDerWaalsContact C-N 3.25Å; K184-G186 PolarHBondContact O-N 2.86Å; G186-S188 PolarHBondContact O-N 3.28Å
187	A	70.1	Confident	75.7	Confident	40 Å²	40	78 Å²	78	33%	0.331	45%	0.447	S	S	.	.			trans	-67.3	125.1	177.9	0	0	0	0	0	111.9	A182 S189	A182-A187 HydrophobicContact CB-CB 3.99Å; A182-A187 WeakPolarHBondContact O-CB 3.39Å; A182-A187 PolarHBondContact O-N 3.01Å; A187-S189 PolarHBondContact O-N 3.1Å
188	S	66.8	Low	75.3	Confident	130 Å²	130	78.5 Å²	78.5	91%	0.909	44%	0.444	S	S	*	.	S	Bend	trans	-81.8	16	178.3	58.7	0	0	0	0	114.4	G186	G186-S188 PolarHBondContact O-N 3.28Å
189	S	70.7	Confident	74.8	Confident	73 Å²	73	76.8 Å²	76.8	51%	0.51	44%	0.443	S	S	.	.	S	Bend	trans	-152.2	159.9	179.9	67.3	0	0	0	0	111.7	A187 P191	A187-S189 PolarHBondContact O-N 3.1Å; S189-P191 WeakPolarHBondContact O-CD 3.47Å
190	L	82.9	Confident	74	Confident	70 Å²	70	77.8 Å²	77.8	37%	0.366	45%	0.451	S	S	.	.			trans	-110	79.6	-179.5	-55.7	176.2	0	0	0	109.2	D179 V183 H192 L193 N194	D179-L190 HydrophobicContact CB-CD2 4.11Å; V183-L190 HydrophobicContact CG2-CD2 3.44Å; V183-L190 VanDerWaalsContact CG2-CD2 3.44Å; L190-H192 VanDerWaalsContact C-N 3.33Å; L190-H192 PolarHBondContact O-N 2.85Å; L190-L193 HydrophobicContact CB-CB 3.93Å; L190-L193 HydrophobicContact CB-CD2 4.38Å; L190-L193 HydrophobicContact CD1-CD2 3.76Å; L190-L193 PolarHBondContact O-N 2.98Å; L190-N194 WeakPolarHBondContact O-CB 3.21Å; L190-N194 PolarHBondContact O-N 3.29Å
191	P	73.3	Confident	73.1	Confident	64 Å²	64	78.3 Å²	78.3	42%	0.416	46%	0.459	S	S	.	.	H	α-helix	trans	-64.1	-32.6	-168.9	23.9	-34.7	0	0	0	113.6	D179 S189 K195	D179-P191 WeakPolarHBondContact OD1-CD 3.49Å; S189-P191 WeakPolarHBondContact O-CD 3.47Å; P191-K195 VanDerWaalsContact O-CB 3.26Å; P191-K195 WeakPolarHBondContact O-CB 3.42Å; P191-K195 PolarHBondContact O-N 2.83Å
192	H	79.2	Confident	72.5	Confident	66 Å²	66	81.7 Å²	81.7	31%	0.306	47%	0.472	S	S	.	.	H	α-helix	trans	-78.1	-41.1	-179.1	-53.4	86.8	0	0	0	111.4	D179 L190 N194 K195 T196	D179-H192 WeakPolarHBondContact OD1-CB 3.28Å; D179-H192 IonicContact OD1-CE1 3.96Å; D179-H192 IonicContact OD1-CG 3.61Å; D179-H192 PolarHBondContact OD1-N 2.64Å; D179-H192 IonicContact OD1-ND1 2.93Å; D179-H192 PolarHBondContact OD1-ND1 2.8Å; D179-H192 PolarHBondContact OD2-N 3.43Å; L190-H192 VanDerWaalsContact C-N 3.33Å; L190-H192 PolarHBondContact O-N 2.85Å; H192-N194 VanDerWaalsContact C-N 3.34Å; H192-N194 PolarHBondContact O-N 2.77Å; H192-K195 PolarHBondContact O-N 3.04Å; H192-T196 PolarHBondContact O-N 3.04Å; H192-T196 PolarHBondContact O-OG1 3.49Å
193	L	78.4	Confident	72	Confident	49 Å²	49	89.1 Å²	89.1	26%	0.257	50%	0.495	S	S	.	.	H	α-helix	trans	-58	-47.5	172.1	-178.5	56.6	0	0	0	111.1	Y171 D179 L190 K195 T196 L197	Y171-L193 HydrophobicContact CD1-CD1 4.07Å; Y171-L193 HydrophobicContact CD2-CB 4.19Å; Y171-L193 HydrophobicContact CD2-CD1 3.95Å; Y171-L193 HydrophobicContact CE1-CD1 3.99Å; Y171-L193 VanDerWaalsContact CE2-CA 3.49Å; Y171-L193 HydrophobicContact CE2-CB 3.5Å; Y171-L193 VanDerWaalsContact CE2-CB 3.5Å; Y171-L193 HydrophobicContact CE2-CD1 3.93Å; Y171-L193 HydrophobicContact CE2-CG 4.25Å; Y171-L193 HydrophobicContact CG-CD1 4.05Å; D179-L193 WeakPolarHBondContact OD2-CB 3.44Å; D179-L193 PolarHBondContact OD2-N 3.37Å; L190-L193 HydrophobicContact CB-CB 3.93Å; L190-L193 HydrophobicContact CB-CD2 4.38Å; L190-L193 HydrophobicContact CD1-CD2 3.76Å; L190-L193 PolarHBondContact O-N 2.98Å; L193-K195 PolarHBondContact O-N 2.83Å; L193-T196 PolarHBondContact O-N 3.31Å; L193-L197 HydrophobicContact CD1-CD1 4.19Å; L193-L197 HydrophobicContact CD1-CG 4.34Å; L193-L197 HydrophobicContact CG-CD1 4Å; L193-L197 WeakPolarHBondContact O-CB 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.47Å; L193-L197 PolarHBondContact O-N 3.5Å
194	N	77.1	Confident	71.2	Confident	99 Å²	99	91.4 Å²	91.4	53%	0.529	51%	0.505	S	S	.	.	H	α-helix	trans	-64.3	-41.5	-180	-161.1	-0.6	0	0	0	111.2	L190 H192 T196 L197 V198	L190-N194 WeakPolarHBondContact O-CB 3.21Å; L190-N194 PolarHBondContact O-N 3.29Å; H192-N194 VanDerWaalsContact C-N 3.34Å; H192-N194 PolarHBondContact O-N 2.77Å; N194-T196 PolarHBondContact O-N 2.8Å; N194-L197 PolarHBondContact O-N 3.28Å; N194-V198 WeakPolarHBondContact O-CB 3.28Å; N194-V198 WeakPolarHBondContact O-CG2 3.22Å; N194-V198 PolarHBondContact O-N 3.22Å
195	K	78.2	Confident	70.3	Confident	161 Å²	161	89.4 Å²	89.4	70%	0.7	50%	0.5	S	S	*	.	H	α-helix	trans	-60	-43.2	173.3	-175	178.8	-179.7	-178.3	0	112.5	P191 H192 L193 A199	P191-K195 VanDerWaalsContact O-CB 3.26Å; P191-K195 WeakPolarHBondContact O-CB 3.42Å; P191-K195 PolarHBondContact O-N 2.83Å; H192-K195 PolarHBondContact O-N 3.04Å; L193-K195 PolarHBondContact O-N 2.83Å; K195-A199 WeakPolarHBondContact O-CB 3.24Å; K195-A199 PolarHBondContact O-N 2.85Å; K195-A199 VanDerWaalsContact O-N 3.08Å
196	T	77.9	Confident	69.9	Low	28 Å²	28	83.2 Å²	83.2	17%	0.172	48%	0.479	C	S	.	.	H	α-helix	trans	-66.2	-43.6	176.6	-63.9	0	0	0	0	111.7	I167 H192 L193 N194 A199 S200	I167-T196 HydrophobicContact CG2-CG2 3.57Å; H192-T196 PolarHBondContact O-N 3.04Å; H192-T196 PolarHBondContact O-OG1 3.49Å; L193-T196 PolarHBondContact O-N 3.31Å; N194-T196 PolarHBondContact O-N 2.8Å; T196-A199 PolarHBondContact O-N 2.7Å; T196-S200 PolarHBondContact O-N 2.94Å; T196-S200 PolarHBondContact O-OG 3.4Å
197	L	68.7	Low	70.1	Confident	92 Å²	92	84.6 Å²	84.6	48%	0.482	47%	0.467	S	S	.	.	H	α-helix	trans	-60.5	-47.8	174.8	-75.4	167.1	0	0	0	111.9	L193 N194 A199 S200 C201	L193-L197 HydrophobicContact CD1-CD1 4.19Å; L193-L197 HydrophobicContact CD1-CG 4.34Å; L193-L197 HydrophobicContact CG-CD1 4Å; L193-L197 WeakPolarHBondContact O-CB 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.47Å; L193-L197 PolarHBondContact O-N 3.5Å; N194-L197 PolarHBondContact O-N 3.28Å; L197-A199 VanDerWaalsContact C-N 3.32Å; L197-A199 PolarHBondContact O-N 2.94Å; L197-S200 WeakPolarHBondContact O-CA 3.36Å; L197-S200 VanDerWaalsContact O-CB 3.25Å; L197-S200 WeakPolarHBondContact O-CB 3.42Å; L197-S200 PolarHBondContact O-N 2.88Å; L197-C201 PolarHBondContact O-N 3.34Å; L197-C201 PolarHBondContact O-SG 3.13Å; L197-C201 VanDerWaalsContact O-SG 3.36Å
198	V	71.6	Confident	69.3	Low	71 Å²	71	86 Å²	86	43%	0.43	47%	0.472	S	S	.	.	H	α-helix	trans	-60.9	-39.5	177.8	169.7	0	0	0	0	112	N194 S200 K202	N194-V198 WeakPolarHBondContact O-CB 3.28Å; N194-V198 WeakPolarHBondContact O-CG2 3.22Å; N194-V198 PolarHBondContact O-N 3.22Å; V198-S200 VanDerWaalsContact C-N 3.31Å; V198-S200 PolarHBondContact O-N 3.5Å; V198-K202 WeakPolarHBondContact O-CG 3.27Å; V198-K202 PolarHBondContact O-N 3Å; V198-K202 VanDerWaalsContact O-N 3.09Å
199	A	70.8	Confident	68.8	Low	62 Å²	62	83.8 Å²	83.8	51%	0.512	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-35.7	173.7	0	0	0	0	0	112.5	K195 T196 L197 R203	K195-A199 WeakPolarHBondContact O-CB 3.24Å; K195-A199 PolarHBondContact O-N 2.85Å; K195-A199 VanDerWaalsContact O-N 3.08Å; T196-A199 PolarHBondContact O-N 2.7Å; L197-A199 VanDerWaalsContact C-N 3.32Å; L197-A199 PolarHBondContact O-N 2.94Å; A199-R203 PolarHBondContact O-N 3.48Å; A199-R203 VanDerWaalsContact O-N 3.17Å
200	S	68.5	Low	68.2	Low	22 Å²	22	86 Å²	86	15%	0.154	45%	0.45	C	S	.	.	H	α-helix	trans	-66.4	-50.6	176.7	-50.1	0	0	0	0	111.6	I167 T196 L197 V198 K202 R203 L204	I167-S200 WeakPolarHBondContact CD1-OG 3.41Å; I167-S200 VanDerWaalsContact CG2-OG 3.32Å; I167-S200 WeakPolarHBondContact CG2-OG 3.13Å; T196-S200 PolarHBondContact O-N 2.94Å; T196-S200 PolarHBondContact O-OG 3.4Å; L197-S200 WeakPolarHBondContact O-CA 3.36Å; L197-S200 VanDerWaalsContact O-CB 3.25Å; L197-S200 WeakPolarHBondContact O-CB 3.42Å; L197-S200 PolarHBondContact O-N 2.88Å; V198-S200 VanDerWaalsContact C-N 3.31Å; V198-S200 PolarHBondContact O-N 3.5Å; S200-K202 VanDerWaalsContact C-N 3.34Å; S200-K202 PolarHBondContact O-N 3.43Å; S200-R203 PolarHBondContact O-N 3.12Å; S200-R203 VanDerWaalsContact O-N 3.17Å; S200-L204 PolarHBondContact O-N 2.85Å
201	C	61.9	Low	67.1	Low	80 Å²	80	87.1 Å²	87.1	54%	0.541	46%	0.46	S	S	.	.	H	α-helix	trans	-61.6	-40.3	179.2	-64.3	0	0	0	0	111.9	L197 R203 L204 N205	L197-C201 PolarHBondContact O-N 3.34Å; L197-C201 PolarHBondContact O-SG 3.13Å; L197-C201 VanDerWaalsContact O-SG 3.36Å; C201-R203 PolarHBondContact O-N 2.62Å; C201-L204 PolarHBondContact O-N 3.14Å; C201-N205 PolarHBondContact O-N 3.19Å
202	K	66.3	Low	66.2	Low	156 Å²	156	88.9 Å²	88.9	68%	0.678	47%	0.465	S	S	*	.	H	α-helix	trans	-62.4	-40.1	174.2	-76.9	-174.1	175.4	-169.2	0	113	V198 S200 G206	V198-K202 WeakPolarHBondContact O-CG 3.27Å; V198-K202 PolarHBondContact O-N 3Å; V198-K202 VanDerWaalsContact O-N 3.09Å; S200-K202 VanDerWaalsContact C-N 3.34Å; S200-K202 PolarHBondContact O-N 3.43Å; K202-G206 PolarHBondContact O-N 3.17Å
203	R	66.1	Low	65.1	Low	180 Å²	180	88.5 Å²	88.5	68%	0.679	47%	0.47	S	S	*	.	H	α-helix	trans	-65.5	-42.7	175.1	-170.7	-172.8	-65.5	-110.2	6.7	111.3	A199 S200 C201 G206 E207	A199-R203 PolarHBondContact O-N 3.48Å; A199-R203 VanDerWaalsContact O-N 3.17Å; S200-R203 PolarHBondContact O-N 3.12Å; S200-R203 VanDerWaalsContact O-N 3.17Å; C201-R203 PolarHBondContact O-N 2.62Å; R203-G206 PolarHBondContact O-N 2.86Å; R203-E207 PolarHBondContact O-N 3.44Å
204	L	57.5	Low	63.8	Low	119 Å²	119	87.8 Å²	87.8	62%	0.623	47%	0.474	S	S	*	.	H	α-helix	trans	-63.3	-44.6	178.2	-177.6	61.6	0	0	0	112	S200 C201 G206 E207 V208	S200-L204 PolarHBondContact O-N 2.85Å; C201-L204 PolarHBondContact O-N 3.14Å; L204-G206 VanDerWaalsContact C-N 3.33Å; L204-G206 PolarHBondContact O-N 2.89Å; L204-E207 PolarHBondContact O-N 3.08Å; L204-E207 VanDerWaalsContact O-N 3.1Å; L204-V208 PolarHBondContact O-N 3.1Å
205	N	58.9	Low	62.7	Low	92 Å²	92	87.8 Å²	87.8	49%	0.492	47%	0.473	S	S	.	.	H	α-helix	trans	-56.4	-49.1	176.1	-151.6	105.1	0	0	0	110.7	C201 E207 V208 D209	C201-N205 PolarHBondContact O-N 3.19Å; N205-E207 PolarHBondContact O-N 3.31Å; N205-E207 VanDerWaalsContact O-N 3.11Å; N205-V208 CarbonylContact O-C 3.52Å; N205-V208 WeakPolarHBondContact O-CA 3.48Å; N205-V208 WeakPolarHBondContact O-CB 3.45Å; N205-V208 PolarHBondContact O-N 3.43Å; N205-D209 VanDerWaalsContact C-OD2 3.29Å; N205-D209 VanDerWaalsContact ND2-CG 3.29Å; N205-D209 PolarHBondContact ND2-OD1 3.45Å; N205-D209 VanDerWaalsContact ND2-OD1 3.08Å; N205-D209 PolarHBondContact ND2-OD2 3.47Å; N205-D209 PolarHBondContact O-N 3.35Å
206	G	62.1	Low	61.4	Low	27 Å²	27	84.9 Å²	84.9	28%	0.278	46%	0.462	S	S	.	.	H	α-helix	trans	-65.3	-11.3	178.5	0	0	0	0	0	115.8	K202 R203 L204 K210	K202-G206 PolarHBondContact O-N 3.17Å; R203-G206 PolarHBondContact O-N 2.86Å; L204-G206 VanDerWaalsContact C-N 3.33Å; L204-G206 PolarHBondContact O-N 2.89Å; G206-K210 VanDerWaalsContact O-CD 3.28Å; G206-K210 WeakPolarHBondContact O-CD 3.4Å; G206-K210 WeakPolarHBondContact O-CE 3.41Å; G206-K210 VanDerWaalsContact O-CG 3.28Å; G206-K210 WeakPolarHBondContact O-CG 3.5Å
207	E	64.3	Low	60.6	Low	95 Å²	95	88.6 Å²	88.6	44%	0.444	48%	0.48	S	S	.	.	H	α-helix	trans	-90.7	-37.7	165.6	-61.8	-51.7	136	0	0	111.7	R203 L204 N205 D209 K210 V211	R203-E207 PolarHBondContact O-N 3.44Å; L204-E207 PolarHBondContact O-N 3.08Å; L204-E207 VanDerWaalsContact O-N 3.1Å; N205-E207 PolarHBondContact O-N 3.31Å; N205-E207 VanDerWaalsContact O-N 3.11Å; E207-D209 VanDerWaalsContact C-N 3.34Å; E207-D209 PolarHBondContact O-N 3.47Å; E207-K210 PolarHBondContact O-N 2.85Å; E207-K210 IonicContact OE1-NZ 2.78Å; E207-K210 PolarHBondContact OE1-NZ 3.42Å; E207-K210 IonicContact OE2-NZ 2.71Å; E207-K210 PolarHBondContact OE2-NZ 2.91Å; E207-K210 VanDerWaalsContact OE2-NZ 3.16Å; E207-V211 WeakPolarHBondContact O-CG2 3.45Å; E207-V211 PolarHBondContact O-N 2.93Å
208	V	54.9	Low	59.7	Low	71 Å²	71	88.6 Å²	88.6	43%	0.43	48%	0.48	S	S	.	.	H	α-helix	trans	-59.8	-44.7	172.7	173.1	0	0	0	0	110.9	L204 N205 K210 V211 L212	L204-V208 PolarHBondContact O-N 3.1Å; N205-V208 CarbonylContact O-C 3.52Å; N205-V208 WeakPolarHBondContact O-CA 3.48Å; N205-V208 WeakPolarHBondContact O-CB 3.45Å; N205-V208 PolarHBondContact O-N 3.43Å; V208-K210 VanDerWaalsContact C-N 3.29Å; V208-K210 PolarHBondContact O-N 3.06Å; V208-V211 PolarHBondContact O-N 3Å; V208-V211 VanDerWaalsContact O-N 3.13Å; V208-L212 HydrophobicContact CG1-CD1 3.86Å; V208-L212 HydrophobicContact CG1-CG 4.26Å; V208-L212 WeakPolarHBondContact O-CG 3.35Å; V208-L212 PolarHBondContact O-N 3.01Å
209	D	55.1	Low	58.4	Low	82 Å²	82	88.6 Å²	88.6	44%	0.439	48%	0.483	S	S	.	.	H	α-helix	trans	-59.6	-38.5	178.6	-59.5	-38.5	0	0	0	111.8	N205 E207 S213	N205-D209 VanDerWaalsContact C-OD2 3.29Å; N205-D209 VanDerWaalsContact ND2-CG 3.29Å; N205-D209 PolarHBondContact ND2-OD1 3.45Å; N205-D209 VanDerWaalsContact ND2-OD1 3.08Å; N205-D209 PolarHBondContact ND2-OD2 3.47Å; N205-D209 PolarHBondContact O-N 3.35Å; E207-D209 VanDerWaalsContact C-N 3.34Å; E207-D209 PolarHBondContact O-N 3.47Å; D209-S213 WeakPolarHBondContact O-CB 3.46Å; D209-S213 PolarHBondContact O-N 3.21Å
210	K	59.2	Low	57.5	Low	121 Å²	121	92.6 Å²	92.6	53%	0.526	49%	0.489	S	S	.	.	H	α-helix	trans	-68.8	-40.9	175	-66.4	167.6	-167.5	167.8	0	112.3	G206 E207 V208 S213 G214	G206-K210 VanDerWaalsContact O-CD 3.28Å; G206-K210 WeakPolarHBondContact O-CD 3.4Å; G206-K210 WeakPolarHBondContact O-CE 3.41Å; G206-K210 VanDerWaalsContact O-CG 3.28Å; G206-K210 WeakPolarHBondContact O-CG 3.5Å; E207-K210 PolarHBondContact O-N 2.85Å; E207-K210 IonicContact OE1-NZ 2.78Å; E207-K210 PolarHBondContact OE1-NZ 3.42Å; E207-K210 IonicContact OE2-NZ 2.71Å; E207-K210 PolarHBondContact OE2-NZ 2.91Å; E207-K210 VanDerWaalsContact OE2-NZ 3.16Å; V208-K210 VanDerWaalsContact C-N 3.29Å; V208-K210 PolarHBondContact O-N 3.06Å; K210-S213 PolarHBondContact O-N 3.43Å; K210-G214 PolarHBondContact O-N 3.01Å
211	V	58.5	Low	56.6	Low	93 Å²	93	96.7 Å²	96.7	56%	0.564	51%	0.513	S	S	*	.	H	α-helix	trans	-66.2	-42.5	177.8	170.6	0	0	0	0	110.4	E207 V208 G214 L215	E207-V211 WeakPolarHBondContact O-CG2 3.45Å; E207-V211 PolarHBondContact O-N 2.93Å; V208-V211 PolarHBondContact O-N 3Å; V208-V211 VanDerWaalsContact O-N 3.13Å; V211-G214 PolarHBondContact O-N 3.3Å; V211-L215 HydrophobicContact CG1-CD1 4.05Å; V211-L215 WeakPolarHBondContact O-CG 3.45Å; V211-L215 PolarHBondContact O-N 3.41Å
212	L	55.2	Low	56.2	Low	101 Å²	101	101.2 Å²	101.2	53%	0.529	52%	0.524	S	S	.	.	H	α-helix	trans	-62.1	-46.3	173.8	-70.5	172.7	0	0	0	111.5	V208 G214 L215 E216	V208-L212 HydrophobicContact CG1-CD1 3.86Å; V208-L212 HydrophobicContact CG1-CG 4.26Å; V208-L212 WeakPolarHBondContact O-CG 3.35Å; V208-L212 PolarHBondContact O-N 3.01Å; L212-G214 VanDerWaalsContact C-N 3.34Å; L212-G214 PolarHBondContact O-N 3.23Å; L212-L215 PolarHBondContact O-N 3.35Å; L212-E216 WeakPolarHBondContact O-CB 3.41Å; L212-E216 PolarHBondContact O-N 3.25Å
213	S	55	Low	55.4	Low	58 Å²	58	99 Å²	99	41%	0.406	52%	0.519	S	S	.	.	H	α-helix	trans	-60.8	-40	175.4	-175.5	0	0	0	0	112.6	D209 K210 E216 I217	D209-S213 WeakPolarHBondContact O-CB 3.46Å; D209-S213 PolarHBondContact O-N 3.21Å; K210-S213 PolarHBondContact O-N 3.43Å; S213-E216 PolarHBondContact O-N 3.01Å; S213-I217 VanDerWaalsContact O-CG1 3.3Å; S213-I217 WeakPolarHBondContact O-CG1 3.49Å; S213-I217 PolarHBondContact O-N 2.8Å
214	G	52.3	Low	54.5	Low	33 Å²	33	98 Å²	98	34%	0.34	52%	0.523	S	S	.	.	H	α-helix	trans	-64.3	-37.8	173.7	0	0	0	0	0	113.6	K210 V211 L212 L218	K210-G214 PolarHBondContact O-N 3.01Å; V211-G214 PolarHBondContact O-N 3.3Å; L212-G214 VanDerWaalsContact C-N 3.34Å; L212-G214 PolarHBondContact O-N 3.23Å; G214-L218 WeakPolarHBondContact O-CG 3.42Å; G214-L218 PolarHBondContact O-N 3.03Å
215	L	53.8	Low	54	Low	100 Å²	100	101 Å²	101	52%	0.524	53%	0.533	S	S	.	.	H	α-helix	trans	-70	-35	173.6	-73.3	166.1	0	0	0	112.3	V211 L212 L218 S219	V211-L215 HydrophobicContact CG1-CD1 4.05Å; V211-L215 WeakPolarHBondContact O-CG 3.45Å; V211-L215 PolarHBondContact O-N 3.41Å; L212-L215 PolarHBondContact O-N 3.35Å; L215-L218 HydrophobicContact CD2-CD1 4.49Å; L215-L218 PolarHBondContact O-N 2.7Å; L215-S219 WeakPolarHBondContact O-CB 3.2Å; L215-S219 PolarHBondContact O-N 2.97Å
216	E	51.7	Low	53.3	Low	99 Å²	99	100.2 Å²	100.2	46%	0.463	54%	0.535	S	S	.	.	H	α-helix	trans	-68	-39.9	175.4	-161.8	-163.7	146.5	0	0	111.6	L212 S213 S219 K220	L212-E216 WeakPolarHBondContact O-CB 3.41Å; L212-E216 PolarHBondContact O-N 3.25Å; S213-E216 PolarHBondContact O-N 3.01Å; E216-S219 WeakPolarHBondContact O-CB 3.42Å; E216-S219 PolarHBondContact O-N 3.07Å; E216-K220 WeakPolarHBondContact O-CB 3.3Å; E216-K220 WeakPolarHBondContact O-CG 3.33Å; E216-K220 PolarHBondContact O-N 2.72Å; E216-K220 WeakPolarHBondContact OE1-CE 3.31Å; E216-K220 IonicContact OE1-NZ 3.15Å; E216-K220 PolarHBondContact OE1-NZ 3.15Å
217	I	59.7	Low	52.5	Low	106 Å²	106	103.2 Å²	103.2	54%	0.544	56%	0.557	S	S	.	*	H	α-helix	trans	-62.1	-43.8	171.6	-69.2	163.9	0	0	0	110.5	S213 K220 V221	S213-I217 VanDerWaalsContact O-CG1 3.3Å; S213-I217 WeakPolarHBondContact O-CG1 3.49Å; S213-I217 PolarHBondContact O-N 2.8Å; I217-K220 PolarHBondContact O-N 3.13Å; I217-V221 WeakPolarHBondContact O-CG2 3.47Å; I217-V221 PolarHBondContact O-N 2.97Å; I217-V221 VanDerWaalsContact O-N 3.13Å
218	L	50.9	Low	51.5	Low	93 Å²	93	107.3 Å²	107.3	49%	0.487	57%	0.574	S	S	.	*	H	α-helix	trans	-60.9	-44.5	173.6	-80.1	163.1	0	0	0	111.8	G214 L215 K220 V221 F222	G214-L218 WeakPolarHBondContact O-CG 3.42Å; G214-L218 PolarHBondContact O-N 3.03Å; L215-L218 HydrophobicContact CD2-CD1 4.49Å; L215-L218 PolarHBondContact O-N 2.7Å; L218-K220 VanDerWaalsContact C-N 3.31Å; L218-K220 PolarHBondContact O-N 2.85Å; L218-V221 PolarHBondContact O-N 2.57Å; L218-F222 HydrophobicContact CD2-CE2 4.36Å; L218-F222 WeakPolarHBondContact O-CD2 3.28Å; L218-F222 PolarHBondContact O-N 3.38Å
219	S	44.1	Very low	50.9	Low	71 Å²	71	110.2 Å²	110.2	50%	0.497	58%	0.584	S	S	.	*	H	α-helix	trans	-56.9	-44.9	176.3	-163.2	0	0	0	0	111.6	L215 E216 V221 F222 D223	L215-S219 WeakPolarHBondContact O-CB 3.2Å; L215-S219 PolarHBondContact O-N 2.97Å; E216-S219 WeakPolarHBondContact O-CB 3.42Å; E216-S219 PolarHBondContact O-N 3.07Å; S219-V221 PolarHBondContact O-N 3.02Å; S219-F222 PolarHBondContact O-N 3.09Å; S219-F222 VanDerWaalsContact O-N 3.12Å; S219-D223 PolarHBondContact O-N 3.43Å
220	K	51.4	Low	50.4	Low	145 Å²	145	110.3 Å²	110.3	63%	0.63	59%	0.587	S	S	*	*	H	α-helix	trans	-69.3	-13.9	177	-73.1	168	171.9	172.9	0	114.8	E216 I217 L218	E216-K220 WeakPolarHBondContact O-CB 3.3Å; E216-K220 WeakPolarHBondContact O-CG 3.33Å; E216-K220 PolarHBondContact O-N 2.72Å; E216-K220 WeakPolarHBondContact OE1-CE 3.31Å; E216-K220 IonicContact OE1-NZ 3.15Å; E216-K220 PolarHBondContact OE1-NZ 3.15Å; I217-K220 PolarHBondContact O-N 3.13Å; L218-K220 VanDerWaalsContact C-N 3.31Å; L218-K220 PolarHBondContact O-N 2.85Å
221	V	50.7	Low	49.7	Very low	108 Å²	108	109.2 Å²	109.2	66%	0.655	59%	0.591	S	S	*	*	H	α-helix	trans	-87.9	-25.8	171.3	167.8	0	0	0	0	111.8	I217 L218 S219	I217-V221 WeakPolarHBondContact O-CG2 3.47Å; I217-V221 PolarHBondContact O-N 2.97Å; I217-V221 VanDerWaalsContact O-N 3.13Å; L218-V221 PolarHBondContact O-N 2.57Å; S219-V221 PolarHBondContact O-N 3.02Å
222	F	52.8	Low	48.8	Very low	175 Å²	175	112 Å²	112	77%	0.768	60%	0.595	S	S	*	*	H	α-helix	trans	-100.1	-20.8	-176.9	-78.5	-70.8	0	0	0	115	L218 S219	L218-F222 HydrophobicContact CD2-CE2 4.36Å; L218-F222 WeakPolarHBondContact O-CD2 3.28Å; L218-F222 PolarHBondContact O-N 3.38Å; S219-F222 PolarHBondContact O-N 3.09Å; S219-F222 VanDerWaalsContact O-N 3.12Å
223	D	49.3	Very low	48.2	Very low	111 Å²	111	113.7 Å²	113.7	59%	0.594	60%	0.602	S	S	*	*	S	Bend	trans	-103.8	128.8	-178	-149.4	-12.6	0	0	0	113.8	S219	S219-D223 PolarHBondContact O-N 3.43Å
224	Q	46.3	Very low	47.8	Very low	159 Å²	159	117.1 Å²	117.1	74%	0.743	62%	0.615	S	S	*	*	S	Bend	trans	72.8	127.1	174.4	-47.2	-161.1	8.8	0	0	120.2
225	Q	48.8	Very low	47.5	Very low	182 Å²	182	123.6 Å²	123.6	85%	0.85	64%	0.636	S	S	*	*	S	Bend	trans	64.3	57	161.3	-54.5	-162.8	24.5	0	0	120
226	S	43.3	Very low	47.1	Very low	75 Å²	75	127.1 Å²	127.1	52%	0.524	65%	0.65	S	S	.	*			trans	-139.1	0.1	153.9	-83.9	0	0	0	0	116.7	F228 M229 V230	S226-F228 PolarHBondContact O-N 2.93Å; S226-M229 PolarHBondContact O-N 2.85Å; S226-V230 PolarHBondContact O-N 3.35Å
227	A	45.1	Very low	46.4	Very low	90 Å²	90	126.7 Å²	126.7	74%	0.744	66%	0.658	S	S	*	*	H	α-helix	trans	-58.7	-15.5	178.1	0	0	0	0	0	115.1	T231	A227-T231 PolarHBondContact O-OG1 3.21Å
228	F	43.3	Very low	45.8	Very low	180 Å²	180	128 Å²	128	79%	0.789	67%	0.67	S	S	*	*	H	α-helix	trans	-94.7	-20.6	177	-162.3	-106.1	0	0	0	114.1	S226	S226-F228 PolarHBondContact O-N 2.93Å
229	M	42	Very low	45.6	Very low	133 Å²	133	129.9 Å²	129.9	66%	0.655	68%	0.681	S	S	*	*	H	α-helix	trans	-84.7	-39.2	177.1	-68.2	-150.9	-171.5	0	0	112.5	S226 T231 K232 M233	S226-M229 PolarHBondContact O-N 2.85Å; M229-T231 PolarHBondContact O-N 3.03Å; M229-K232 PolarHBondContact O-N 2.99Å; M229-M233 PolarHBondContact O-N 2.85Å
230	V	45.8	Very low	45.8	Very low	83 Å²	83	135.9 Å²	135.9	50%	0.503	70%	0.701	S	S	.	*	H	α-helix	trans	-57.3	-48.5	-177.7	176.5	0	0	0	0	111.5	S226 K232 M233 I234	S226-V230 PolarHBondContact O-N 3.35Å; V230-K232 PolarHBondContact O-N 3.48Å; V230-K232 VanDerWaalsContact O-N 3.17Å; V230-M233 PolarHBondContact O-N 3.07Å; V230-I234 HydrophobicContact CG1-CD1 3.71Å; V230-I234 HydrophobicContact CG1-CG1 4.46Å; V230-I234 WeakPolarHBondContact O-CG1 3.48Å; V230-I234 PolarHBondContact O-N 2.81Å; V230-I234 VanDerWaalsContact O-N 3.09Å
231	T	43.5	Very low	45.8	Very low	99 Å²	99	132.2 Å²	132.2	61%	0.607	71%	0.705	S	S	*	*	H	α-helix	trans	-59.4	-28.1	177.2	-45.8	0	0	0	0	112.9	A227 M229	A227-T231 PolarHBondContact O-OG1 3.21Å; M229-T231 PolarHBondContact O-N 3.03Å
232	K	39.8	Very low	45.7	Very low	150 Å²	150	130 Å²	130	65%	0.652	70%	0.704	S	S	*	*	H	α-helix	trans	-88.3	-30	-178.7	-151.6	175.5	-175.1	-177.6	0	113.2	M229 V230	M229-K232 PolarHBondContact O-N 2.99Å; V230-K232 PolarHBondContact O-N 3.48Å; V230-K232 VanDerWaalsContact O-N 3.17Å
233	M	41.8	Very low	45.5	Very low	137 Å²	137	128.3 Å²	128.3	68%	0.675	70%	0.703	S	S	*	*	H	α-helix	trans	-69.5	-44.9	170.6	-79.3	-172.9	164.7	0	0	112	M229 V230 Q235 Q236 S237	M229-M233 PolarHBondContact O-N 2.85Å; V230-M233 PolarHBondContact O-N 3.07Å; M233-Q235 PolarHBondContact O-N 2.82Å; M233-Q236 PolarHBondContact O-N 3.11Å; M233-S237 PolarHBondContact O-N 3.17Å; M233-S237 PolarHBondContact O-OG 2.91Å
234	I	47.5	Very low	45.5	Very low	131 Å²	131	128.6 Å²	128.6	67%	0.672	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	-24.1	-178.1	-71.5	172.3	0	0	0	112.6	V230	V230-I234 HydrophobicContact CG1-CD1 3.71Å; V230-I234 HydrophobicContact CG1-CG1 4.46Å; V230-I234 WeakPolarHBondContact O-CG1 3.48Å; V230-I234 PolarHBondContact O-N 2.81Å; V230-I234 VanDerWaalsContact O-N 3.09Å
235	Q	45.8	Very low	45.7	Very low	169 Å²	169	128.7 Å²	128.7	79%	0.79	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	3.8	179.9	-156.9	151.7	35.1	0	0	115.2	M233	M233-Q235 PolarHBondContact O-N 2.82Å
236	Q	45.3	Very low	45.7	Very low	173 Å²	173	125.8 Å²	125.8	81%	0.808	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.2	0.4	178.1	-70.3	-159.7	-53.9	0	0	116.8	M233	M233-Q236 PolarHBondContact O-N 3.11Å
237	S	36.9	Very low	46	Very low	91 Å²	91	127.9 Å²	127.9	64%	0.636	69%	0.693	S	S	*	*			trans	-116.8	62.6	174.5	63.5	0	0	0	0	113.9	M233 N239	M233-S237 PolarHBondContact O-N 3.17Å; M233-S237 PolarHBondContact O-OG 2.91Å; S237-N239 VanDerWaalsContact C-N 3.29Å; S237-N239 PolarHBondContact O-N 3.12Å
238	V	48.4	Very low	46.2	Very low	132 Å²	132	127.3 Å²	127.3	80%	0.8	68%	0.677	S	S	*	*			trans	-70.6	90	157.2	177.6	0	0	0	0	108
239	N	46.3	Very low	46.7	Very low	134 Å²	134	123.6 Å²	123.6	72%	0.717	67%	0.665	S	S	*	*	S	Bend	trans	166.9	131.5	141	-89.3	-46.7	0	0	0	112.2	S237	S237-N239 VanDerWaalsContact C-N 3.29Å; S237-N239 PolarHBondContact O-N 3.12Å
240	Q	48.8	Very low	47.5	Very low	196 Å²	196	121.6 Å²	121.6	92%	0.916	66%	0.66	S	S	*	*	S	Bend	trans	67.6	125.3	162.4	-57.3	173.6	47.6	0	0	118.6
241	G	51.6	Low	47.9	Very low	68 Å²	68	121.2 Å²	121.2	70%	0.701	66%	0.658	S	S	*	*			trans	129.8	-21.6	148	0	0	0	0	0	119.5
242	G	46.6	Very low	48.2	Very low	63 Å²	63	123.1 Å²	123.1	65%	0.649	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-41.5	-158.1	0	0	0	0	0	118.7	Q244	G242-Q244 VanDerWaalsContact C-N 3.32Å; G242-Q244 PolarHBondContact O-N 3.33Å
243	D	49.5	Very low	48.7	Very low	138 Å²	138	121.1 Å²	121.1	74%	0.738	65%	0.654	S	S	*	*	H	α-helix	trans	-68.7	-28.5	-163	-59	-53.6	0	0	0	114.2	E245 L246 E247	D243-E245 PolarHBondContact O-N 2.85Å; D243-L246 PolarHBondContact O-N 3.09Å; D243-E247 PolarHBondContact O-N 2.69Å
244	Q	50	Low	49.1	Very low	117 Å²	117	116.7 Å²	116.7	55%	0.547	64%	0.639	S	S	.	*	H	α-helix	trans	-71.5	-28.1	-167	-162.3	68	95.8	0	0	113.7	G242 E247 N248	G242-Q244 VanDerWaalsContact C-N 3.32Å; G242-Q244 PolarHBondContact O-N 3.33Å; Q244-E247 PolarHBondContact NE2-OE2 3.18Å; Q244-N248 WeakPolarHBondContact O-CB 3.39Å; Q244-N248 PolarHBondContact O-N 3.21Å; Q244-N248 VanDerWaalsContact O-N 3.15Å; Q244-N248 PolarHBondContact O-ND2 3.14Å
245	E	49.2	Very low	49.5	Very low	161 Å²	161	115.6 Å²	115.6	75%	0.752	63%	0.633	S	S	*	*	H	α-helix	trans	-77.1	-35.9	179.5	-63.6	-161.2	136.4	0	0	112.2	D243 N248 L249	D243-E245 PolarHBondContact O-N 2.85Å; E245-N248 PolarHBondContact O-N 3.21Å; E245-L249 PolarHBondContact O-N 3.39Å
246	L	48.8	Very low	49.7	Very low	121 Å²	121	112.5 Å²	112.5	63%	0.634	62%	0.621	S	S	*	*	H	α-helix	trans	-69.3	-43.7	177.3	-173.1	60.9	0	0	0	111.2	D243 N248 L249 V250	D243-L246 PolarHBondContact O-N 3.09Å; L246-N248 VanDerWaalsContact C-N 3.31Å; L246-N248 PolarHBondContact O-N 2.9Å; L246-L249 PolarHBondContact O-N 2.55Å; L246-V250 WeakPolarHBondContact O-CG2 3.17Å; L246-V250 PolarHBondContact O-N 3.19Å
247	E	50.3	Low	50.3	Low	120 Å²	120	111.4 Å²	111.4	56%	0.561	61%	0.614	S	S	*	*	H	α-helix	trans	-59.6	-40.7	171.2	-73.1	-164.1	143.8	0	0	112.1	D243 Q244 L249 V250 T251	D243-E247 PolarHBondContact O-N 2.69Å; Q244-E247 PolarHBondContact NE2-OE2 3.18Å; E247-L249 VanDerWaalsContact C-N 3.33Å; E247-L249 PolarHBondContact O-N 2.85Å; E247-V250 PolarHBondContact O-N 2.69Å; E247-T251 VanDerWaalsContact O-CB 3.24Å; E247-T251 WeakPolarHBondContact O-CB 3.35Å; E247-T251 PolarHBondContact O-N 3.32Å; E247-T251 PolarHBondContact O-OG1 3.39Å
248	N	50	Low	51.1	Low	77 Å²	77	112 Å²	112	41%	0.412	61%	0.61	S	S	.	*	H	α-helix	trans	-63.1	-37.2	176.2	-91.9	-60.5	0	0	0	112.5	Q244 E245 L246 K252	Q244-N248 WeakPolarHBondContact O-CB 3.39Å; Q244-N248 PolarHBondContact O-N 3.21Å; Q244-N248 VanDerWaalsContact O-N 3.15Å; Q244-N248 PolarHBondContact O-ND2 3.14Å; E245-N248 PolarHBondContact O-N 3.21Å; L246-N248 VanDerWaalsContact C-N 3.31Å; L246-N248 PolarHBondContact O-N 2.9Å; N248-K252 WeakPolarHBondContact O-CB 3.47Å; N248-K252 WeakPolarHBondContact O-CD 3.45Å; N248-K252 WeakPolarHBondContact O-CG 3.4Å; N248-K252 PolarHBondContact O-N 3.09Å
249	L	52.9	Low	51.1	Low	103 Å²	103	110.5 Å²	110.5	54%	0.539	60%	0.597	S	S	.	*	H	α-helix	trans	-70.4	-44.9	177.3	-173.3	62.8	0	0	0	111.7	E245 L246 E247 T251 K252 L253	E245-L249 PolarHBondContact O-N 3.39Å; L246-L249 PolarHBondContact O-N 2.55Å; E247-L249 VanDerWaalsContact C-N 3.33Å; E247-L249 PolarHBondContact O-N 2.85Å; L249-T251 VanDerWaalsContact C-N 3.33Å; L249-T251 PolarHBondContact O-N 3.47Å; L249-K252 PolarHBondContact O-N 2.66Å; L249-L253 PolarHBondContact O-N 3.27Å
250	V	58	Low	51.3	Low	90 Å²	90	109.3 Å²	109.3	55%	0.545	59%	0.59	S	S	.	*	H	α-helix	trans	-61.7	-41.5	175.1	173	0	0	0	0	111	L246 E247 L253 A254	L246-V250 WeakPolarHBondContact O-CG2 3.17Å; L246-V250 PolarHBondContact O-N 3.19Å; E247-V250 PolarHBondContact O-N 2.69Å; V250-L253 PolarHBondContact O-N 3.17Å; V250-A254 PolarHBondContact O-N 2.84Å
251	T	54.1	Low	51.3	Low	75 Å²	75	101.5 Å²	101.5	46%	0.46	56%	0.557	S	S	.	*	H	α-helix	trans	-64.2	-42.3	176.9	-58.7	0	0	0	0	111.7	E247 L249 L253 A254 I255	E247-T251 VanDerWaalsContact O-CB 3.24Å; E247-T251 WeakPolarHBondContact O-CB 3.35Å; E247-T251 PolarHBondContact O-N 3.32Å; E247-T251 PolarHBondContact O-OG1 3.39Å; L249-T251 VanDerWaalsContact C-N 3.33Å; L249-T251 PolarHBondContact O-N 3.47Å; T251-L253 PolarHBondContact O-N 3.17Å; T251-A254 PolarHBondContact O-N 3.43Å; T251-I255 HydrophobicContact CG2-CD1 3.96Å; T251-I255 VanDerWaalsContact O-CG1 3.3Å; T251-I255 WeakPolarHBondContact O-CG1 3.36Å; T251-I255 PolarHBondContact O-N 3Å
252	K	50.1	Low	51.1	Low	139 Å²	139	100.3 Å²	100.3	60%	0.604	54%	0.538	S	S	*	.	H	α-helix	trans	-62.1	-40.8	174.4	-74.8	166.4	-174.5	174.8	0	112.2	N248 L249 I255 L256	N248-K252 WeakPolarHBondContact O-CB 3.47Å; N248-K252 WeakPolarHBondContact O-CD 3.45Å; N248-K252 WeakPolarHBondContact O-CG 3.4Å; N248-K252 PolarHBondContact O-N 3.09Å; L249-K252 PolarHBondContact O-N 2.66Å; K252-I255 PolarHBondContact O-N 3.22Å; K252-L256 WeakPolarHBondContact O-CB 3.29Å; K252-L256 PolarHBondContact O-N 2.98Å
253	L	51.8	Low	51.3	Low	109 Å²	109	101.9 Å²	101.9	57%	0.571	53%	0.53	S	S	*	.	H	α-helix	trans	-65.9	-39.8	175.4	-79.2	163.8	0	0	0	112.6	L249 V250 T251 L256 K257	L249-L253 PolarHBondContact O-N 3.27Å; V250-L253 PolarHBondContact O-N 3.17Å; T251-L253 PolarHBondContact O-N 3.17Å; L253-L256 PolarHBondContact O-N 3.05Å; L253-K257 PolarHBondContact O-N 3.47Å
254	A	49.8	Very low	51.2	Low	44 Å²	44	100.6 Å²	100.6	36%	0.364	52%	0.52	S	S	.	.	H	α-helix	trans	-62.3	-47.2	174.3	0	0	0	0	0	111.8	V250 T251 L256 K257 D258	V250-A254 PolarHBondContact O-N 2.84Å; T251-A254 PolarHBondContact O-N 3.43Å; A254-L256 VanDerWaalsContact C-N 3.3Å; A254-L256 PolarHBondContact O-N 3Å; A254-K257 WeakPolarHBondContact O-CB 3.39Å; A254-K257 PolarHBondContact O-N 2.88Å; A254-D258 PolarHBondContact O-N 3.23Å
255	I	56.1	Low	51.2	Low	107 Å²	107	101.6 Å²	101.6	55%	0.549	52%	0.522	S	S	.	.	H	α-helix	trans	-59.5	-40.6	176.2	-68.7	165.3	0	0	0	111.3	T251 K252 D258 L259	T251-I255 HydrophobicContact CG2-CD1 3.96Å; T251-I255 VanDerWaalsContact O-CG1 3.3Å; T251-I255 WeakPolarHBondContact O-CG1 3.36Å; T251-I255 PolarHBondContact O-N 3Å; K252-I255 PolarHBondContact O-N 3.22Å; I255-D258 PolarHBondContact O-N 3.02Å; I255-L259 VanDerWaalsContact O-CB 3.29Å; I255-L259 WeakPolarHBondContact O-CB 3.35Å; I255-L259 PolarHBondContact O-N 3.47Å
256	L	49.9	Very low	51.2	Low	104 Å²	104	100.4 Å²	100.4	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-66.1	-41.7	178.9	-156.6	101.9	0	0	0	112.2	K252 L253 A254 L259 L260	K252-L256 WeakPolarHBondContact O-CB 3.29Å; K252-L256 PolarHBondContact O-N 2.98Å; L253-L256 PolarHBondContact O-N 3.05Å; A254-L256 VanDerWaalsContact C-N 3.3Å; A254-L256 PolarHBondContact O-N 3Å; L256-L259 PolarHBondContact O-N 2.93Å; L256-L260 HydrophobicContact CD2-CD1 4.39Å; L256-L260 WeakPolarHBondContact O-CG 3.43Å; L256-L260 PolarHBondContact O-N 2.98Å
257	K	57.7	Low	51	Low	151 Å²	151	97 Å²	97	66%	0.657	50%	0.504	S	S	*	.	H	α-helix	trans	-61	-47	174.6	174.5	-169.7	170.9	-169.4	0	111.7	L253 A254 L259 L260 S261	L253-K257 PolarHBondContact O-N 3.47Å; A254-K257 WeakPolarHBondContact O-CB 3.39Å; A254-K257 PolarHBondContact O-N 2.88Å; K257-L259 VanDerWaalsContact C-N 3.35Å; K257-L260 PolarHBondContact O-N 3.37Å; K257-S261 PolarHBondContact O-N 3.46Å
258	D	53.3	Low	50.7	Low	103 Å²	103	95.6 Å²	95.6	55%	0.551	50%	0.5	S	S	*	.	H	α-helix	trans	-70.8	-32.6	-178.7	-71.5	-15.6	0	0	0	111.8	A254 I255 S262	A254-D258 PolarHBondContact O-N 3.23Å; I255-D258 PolarHBondContact O-N 3.02Å; D258-S262 VanDerWaalsContact O-CB 3.26Å; D258-S262 WeakPolarHBondContact O-CB 3.17Å; D258-S262 PolarHBondContact O-N 3.3Å
259	L	49.3	Very low	50.8	Low	100 Å²	100	97.8 Å²	97.8	52%	0.524	51%	0.506	S	S	.	.	H	α-helix	trans	-62.2	-45.9	170.1	-178.7	62.6	0	0	0	111.6	I255 L256 K257 S262 I263	I255-L259 VanDerWaalsContact O-CB 3.29Å; I255-L259 WeakPolarHBondContact O-CB 3.35Å; I255-L259 PolarHBondContact O-N 3.47Å; L256-L259 PolarHBondContact O-N 2.93Å; K257-L259 VanDerWaalsContact C-N 3.35Å; L259-S262 WeakPolarHBondContact O-CB 3.34Å; L259-S262 PolarHBondContact O-N 3.26Å; L259-I263 HydrophobicContact CD1-CD1 4.32Å; L259-I263 HydrophobicContact CG-CD1 4.12Å; L259-I263 WeakPolarHBondContact O-CG1 3.37Å; L259-I263 PolarHBondContact O-N 3.37Å
260	L	48.6	Very low	50.5	Low	109 Å²	109	95.3 Å²	95.3	57%	0.571	50%	0.501	S	S	*	.	H	α-helix	trans	-61	-48	176.7	-76	164.5	0	0	0	111.9	L256 K257 S262 I263 E264	L256-L260 HydrophobicContact CD2-CD1 4.39Å; L256-L260 WeakPolarHBondContact O-CG 3.43Å; L256-L260 PolarHBondContact O-N 2.98Å; K257-L260 PolarHBondContact O-N 3.37Å; L260-S262 VanDerWaalsContact C-N 3.28Å; L260-S262 PolarHBondContact O-N 3.04Å; L260-I263 PolarHBondContact O-N 3.02Å; L260-I263 VanDerWaalsContact O-N 3.16Å; L260-E264 WeakPolarHBondContact O-CB 3.33Å; L260-E264 PolarHBondContact O-N 3.47Å
261	S	48.8	Very low	49.8	Very low	33 Å²	33	97 Å²	97	23%	0.231	51%	0.506	C	S	.	.	H	α-helix	trans	-69.5	-24.4	176.8	-165.8	0	0	0	0	112.9	K257 E264 K265	K257-S261 PolarHBondContact O-N 3.46Å; S261-E264 PolarHBondContact OG-OE2 2.98Å; S261-K265 WeakPolarHBondContact O-CB 3.37Å; S261-K265 WeakPolarHBondContact O-CD 3.39Å; S261-K265 VanDerWaalsContact O-CG 3.31Å; S261-K265 WeakPolarHBondContact O-CG 3.31Å; S261-K265 PolarHBondContact O-N 3.32Å; S261-K265 PolarHBondContact OG-NZ 3.44Å
262	S	48.5	Very low	49.5	Very low	42 Å²	42	99.4 Å²	99.4	29%	0.294	51%	0.512	S	S	.	.	H	α-helix	trans	-67.6	-41.4	169.5	-165	0	0	0	0	111.8	D258 L259 L260 K266	D258-S262 VanDerWaalsContact O-CB 3.26Å; D258-S262 WeakPolarHBondContact O-CB 3.17Å; D258-S262 PolarHBondContact O-N 3.3Å; L259-S262 WeakPolarHBondContact O-CB 3.34Å; L259-S262 PolarHBondContact O-N 3.26Å; L260-S262 VanDerWaalsContact C-N 3.28Å; L260-S262 PolarHBondContact O-N 3.04Å; S262-K266 WeakPolarHBondContact O-CB 3.26Å; S262-K266 WeakPolarHBondContact O-CD 3.46Å; S262-K266 WeakPolarHBondContact O-CG 3.5Å; S262-K266 PolarHBondContact O-N 3.31Å; S262-K266 PolarHBondContact OG-NZ 3.37Å
263	I	51.4	Low	49.1	Very low	96 Å²	96	97 Å²	97	49%	0.492	51%	0.505	S	S	.	.	H	α-helix	trans	-66.9	-46.6	176.3	-69	164.1	0	0	0	110.3	L259 L260 K265 K266 A267	L259-I263 HydrophobicContact CD1-CD1 4.32Å; L259-I263 HydrophobicContact CG-CD1 4.12Å; L259-I263 WeakPolarHBondContact O-CG1 3.37Å; L259-I263 PolarHBondContact O-N 3.37Å; L260-I263 PolarHBondContact O-N 3.02Å; L260-I263 VanDerWaalsContact O-N 3.16Å; I263-K265 PolarHBondContact O-N 3.48Å; I263-K266 PolarHBondContact O-N 2.99Å; I263-A267 WeakPolarHBondContact O-CB 3Å; I263-A267 PolarHBondContact O-N 3.33Å
264	E	45.9	Very low	48.7	Very low	111 Å²	111	99.4 Å²	99.4	52%	0.519	52%	0.516	S	S	.	.	H	α-helix	trans	-53.3	-52.8	174.6	179.4	-170	-152.8	0	0	112	L260 S261 K266 A267 L268	L260-E264 WeakPolarHBondContact O-CB 3.33Å; L260-E264 PolarHBondContact O-N 3.47Å; S261-E264 PolarHBondContact OG-OE2 2.98Å; E264-K266 VanDerWaalsContact C-N 3.32Å; E264-K266 PolarHBondContact O-N 3.45Å; E264-A267 PolarHBondContact O-N 2.98Å; E264-L268 HydrophobicContact CG-CD1 4.31Å; E264-L268 PolarHBondContact O-N 2.71Å
265	K	51.2	Low	48.3	Very low	138 Å²	138	101.9 Å²	101.9	60%	0.6	53%	0.531	S	S	*	.	H	α-helix	trans	-65.2	-32.8	178.8	-73.4	168.1	-176.4	159.4	0	113	S261 I263 K269	S261-K265 WeakPolarHBondContact O-CB 3.37Å; S261-K265 WeakPolarHBondContact O-CD 3.39Å; S261-K265 VanDerWaalsContact O-CG 3.31Å; S261-K265 WeakPolarHBondContact O-CG 3.31Å; S261-K265 PolarHBondContact O-N 3.32Å; S261-K265 PolarHBondContact OG-NZ 3.44Å; I263-K265 PolarHBondContact O-N 3.48Å; K265-K269 WeakPolarHBondContact O-CB 3.5Å; K265-K269 PolarHBondContact O-N 3.02Å
266	K	49	Very low	47.6	Very low	137 Å²	137	103.7 Å²	103.7	60%	0.596	54%	0.541	S	S	*	.	H	α-helix	trans	-72.1	-37.1	174.3	-75.3	165.3	-177.3	157	0	112.1	S262 I263 E264 K269 A270	S262-K266 WeakPolarHBondContact O-CB 3.26Å; S262-K266 WeakPolarHBondContact O-CD 3.46Å; S262-K266 WeakPolarHBondContact O-CG 3.5Å; S262-K266 PolarHBondContact O-N 3.31Å; S262-K266 PolarHBondContact OG-NZ 3.37Å; I263-K266 PolarHBondContact O-N 2.99Å; E264-K266 VanDerWaalsContact C-N 3.32Å; E264-K266 PolarHBondContact O-N 3.45Å; K266-K269 PolarHBondContact O-N 3.17Å; K266-A270 WeakPolarHBondContact O-CB 3.48Å; K266-A270 PolarHBondContact O-N 3Å
267	A	44.5	Very low	47	Very low	49 Å²	49	103.3 Å²	103.3	41%	0.405	55%	0.546	S	S	.	.	H	α-helix	trans	-65.9	-47.9	173.8	0	0	0	0	0	111.2	I263 E264 K269 A270 L271	I263-A267 WeakPolarHBondContact O-CB 3Å; I263-A267 PolarHBondContact O-N 3.33Å; E264-A267 PolarHBondContact O-N 2.98Å; A267-K269 VanDerWaalsContact C-N 3.33Å; A267-K269 PolarHBondContact O-N 2.73Å; A267-A270 PolarHBondContact O-N 3.02Å; A267-L271 VanDerWaalsContact O-CG 3.32Å; A267-L271 WeakPolarHBondContact O-CG 3.44Å; A267-L271 PolarHBondContact O-N 2.88Å
268	L	44.1	Very low	45.9	Very low	91 Å²	91	102 Å²	102	48%	0.476	56%	0.556	S	S	.	*	H	α-helix	trans	-55.6	-46.2	172.9	-83.4	163.9	0	0	0	112	E264 L271 Q272	E264-L268 HydrophobicContact CG-CD1 4.31Å; E264-L268 PolarHBondContact O-N 2.71Å; L268-L271 PolarHBondContact O-N 2.95Å; L268-Q272 WeakPolarHBondContact O-CG 3.42Å; L268-Q272 PolarHBondContact O-N 2.62Å
269	K	51.5	Low	45.5	Very low	122 Å²	122	103.4 Å²	103.4	53%	0.53	57%	0.571	S	S	.	*	H	α-helix	trans	-65.9	-43	177.2	-178.2	168.7	176.7	175.9	0	112.5	K265 K266 A267 L271 Q272 D273	K265-K269 WeakPolarHBondContact O-CB 3.5Å; K265-K269 PolarHBondContact O-N 3.02Å; K266-K269 PolarHBondContact O-N 3.17Å; A267-K269 VanDerWaalsContact C-N 3.33Å; A267-K269 PolarHBondContact O-N 2.73Å; K269-L271 VanDerWaalsContact C-N 3.28Å; K269-L271 PolarHBondContact O-N 3.08Å; K269-Q272 PolarHBondContact O-N 2.83Å; K269-Q272 VanDerWaalsContact O-N 3.09Å; K269-D273 WeakPolarHBondContact CE-OD2 3.3Å; K269-D273 WeakPolarHBondContact CG-OD2 3.29Å; K269-D273 WeakPolarHBondContact O-CB 3.25Å; K269-D273 PolarHBondContact O-N 2.83Å
270	A	47.5	Very low	44.5	Very low	52 Å²	52	105 Å²	105	43%	0.43	59%	0.589	S	S	.	*	H	α-helix	trans	-61.5	-37.3	177.9	0	0	0	0	0	112.3	K266 A267 M274	K266-A270 WeakPolarHBondContact O-CB 3.48Å; K266-A270 PolarHBondContact O-N 3Å; A267-A270 PolarHBondContact O-N 3.02Å; A270-M274 WeakPolarHBondContact O-CB 3.45Å; A270-M274 WeakPolarHBondContact O-CG 3.22Å; A270-M274 PolarHBondContact O-N 3.46Å; A270-M274 VanDerWaalsContact O-N 3.12Å
271	L	42.8	Very low	43.9	Very low	126 Å²	126	104.7 Å²	104.7	66%	0.66	60%	0.596	S	S	*	*	H	α-helix	trans	-67.5	-34.7	173.6	-69.6	166.4	0	0	0	112.5	A267 L268 K269	A267-L271 VanDerWaalsContact O-CG 3.32Å; A267-L271 WeakPolarHBondContact O-CG 3.44Å; A267-L271 PolarHBondContact O-N 2.88Å; L268-L271 PolarHBondContact O-N 2.95Å; K269-L271 VanDerWaalsContact C-N 3.28Å; K269-L271 PolarHBondContact O-N 3.08Å
272	Q	47.3	Very low	43.2	Very low	124 Å²	124	108.8 Å²	108.8	58%	0.579	62%	0.622	S	S	*	*	H	α-helix	trans	-73.1	-44.3	174.9	-72.5	171.2	-7.8	0	0	112.4	L268 K269 M274 S275	L268-Q272 WeakPolarHBondContact O-CG 3.42Å; L268-Q272 PolarHBondContact O-N 2.62Å; K269-Q272 PolarHBondContact O-N 2.83Å; K269-Q272 VanDerWaalsContact O-N 3.09Å; Q272-M274 VanDerWaalsContact C-N 3.28Å; Q272-M274 PolarHBondContact O-N 2.84Å; Q272-S275 VanDerWaalsContact O-CB 3.26Å; Q272-S275 WeakPolarHBondContact O-CB 3.36Å; Q272-S275 PolarHBondContact O-N 2.83Å
273	D	42.2	Very low	42.6	Very low	88 Å²	88	112.2 Å²	112.2	47%	0.471	64%	0.643	S	S	.	*	H	α-helix	trans	-65.3	-31.3	179.4	-70.6	-19.8	0	0	0	111.5	K269 S275	K269-D273 WeakPolarHBondContact CE-OD2 3.3Å; K269-D273 WeakPolarHBondContact CG-OD2 3.29Å; K269-D273 WeakPolarHBondContact O-CB 3.25Å; K269-D273 PolarHBondContact O-N 2.83Å; D273-S275 PolarHBondContact O-N 2.86Å
274	M	44.3	Very low	41.9	Very low	160 Å²	160	113.5 Å²	113.5	79%	0.788	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-13.7	170.2	-78.7	-172.3	177	0	0	114.4	A270 Q272	A270-M274 WeakPolarHBondContact O-CB 3.45Å; A270-M274 WeakPolarHBondContact O-CG 3.22Å; A270-M274 PolarHBondContact O-N 3.46Å; A270-M274 VanDerWaalsContact O-N 3.12Å; Q272-M274 VanDerWaalsContact C-N 3.28Å; Q272-M274 PolarHBondContact O-N 2.84Å
275	S	40.2	Very low	41.3	Very low	97 Å²	97	117.7 Å²	117.7	68%	0.678	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-2	-176.4	-164.9	0	0	0	0	114.4	Q272 D273	Q272-S275 VanDerWaalsContact O-CB 3.26Å; Q272-S275 WeakPolarHBondContact O-CB 3.36Å; Q272-S275 PolarHBondContact O-N 2.83Å; D273-S275 PolarHBondContact O-N 2.86Å
276	L	41.3	Very low	40.2	Very low	145 Å²	145	115 Å²	115	76%	0.759	67%	0.673	S	S	*	*	S	Bend	trans	-115.8	14.6	-161.8	-69.3	175	0	0	0	115.9
277	S	37.1	Very low	39.5	Very low	95 Å²	95	116 Å²	116	66%	0.664	68%	0.682	S	S	*	*	S	Bend	trans	-138.6	51.4	-167.6	56.8	0	0	0	0	117.9
278	S	35.1	Very low	38.9	Very low	123 Å²	123	123.2 Å²	123.2	86%	0.86	70%	0.699	S	S	*	*			trans	-173.5	136.4	145	-85.8	0	0	0	0	113.6
279	P	45.9	Very low	38.5	Very low	134 Å²	134	125.5 Å²	125.5	87%	0.87	71%	0.707	S	S	*	*			trans	-112.4	117.8	176.6	36.4	-26.9	0	0	0	114.9
280	C	27.8	Very low	38.2	Very low	133 Å²	133	122.5 Å²	122.5	90%	0.899	70%	0.701	S	S	*	*			trans	-171.6	141	135.8	-157.8	0	0	0	0	109.9
281	S	36.3	Very low	38.3	Very low	103 Å²	103	127.1 Å²	127.1	72%	0.72	71%	0.711	S	S	*	*			trans	-94.2	150.2	-172.8	55.9	0	0	0	0	113.4
282	P	32.8	Very low	39.1	Very low	118 Å²	118	124.2 Å²	124.2	77%	0.766	71%	0.706	S	S	*	*	S	Bend		-112.1	-175	86.6	39.1	-37.9	0	0	0	112.2
283	P	37	Very low	40.1	Very low	115 Å²	115	119.4 Å²	119.4	75%	0.747	68%	0.684	S	S	*	*			trans	-74.9	157.8	-150.5	29.8	-34.9	0	0	0	115.5
284	P	35.8	Very low	41.7	Very low	123 Å²	123	118.8 Å²	118.8	80%	0.799	69%	0.685	S	S	*	*			trans	-73.2	149.3	-167.2	29.3	-36.7	0	0	0	114.2	S286	P284-S286 PolarHBondContact O-N 3.16Å
285	F	32.8	Very low	43.3	Very low	199 Å²	199	115.3 Å²	115.3	87%	0.873	67%	0.672	S	S	*	*			trans	-65.9	97.8	160.5	-77.5	-84.8	0	0	0	109.6
286	S	28.9	Very low	45.4	Very low	81 Å²	81	112.8 Å²	112.8	57%	0.566	65%	0.65	S	S	*	*			trans	-56.9	149.3	162.6	-173.4	0	0	0	0	110	P284 R288	P284-S286 PolarHBondContact O-N 3.16Å; S286-R288 PolarHBondContact O-N 2.92Å
287	M	34.1	Very low	47.6	Very low	158 Å²	158	108.3 Å²	108.3	78%	0.778	63%	0.634	S	S	*	*			trans	-51	131	150.8	-70.4	-173.3	-69.9	0	0	107.1	H289	M287-H289 PolarHBondContact O-CD2 3.38Å; M287-H289 PolarHBondContact O-N 3.02Å
288	R	33.1	Very low	50	Low	200 Å²	200	104.1 Å²	104.1	76%	0.755	60%	0.603	S	S	*	*			trans	-74.7	76	-175.3	-65.4	-167.5	-167.4	-172.6	7.6	110.6	S286 S290	S286-R288 PolarHBondContact O-N 2.92Å; R288-S290 PolarHBondContact O-N 2.87Å
289	H	34.7	Very low	52.6	Low	139 Å²	139	102.6 Å²	102.6	64%	0.644	58%	0.583	S	S	*	*			trans	-50.3	120.5	145.6	-59.6	-82.8	0	0	0	106.3	M287	M287-H289 PolarHBondContact O-CD2 3.38Å; M287-H289 PolarHBondContact O-N 3.02Å
290	S	44.8	Very low	54.7	Low	60 Å²	60	96.4 Å²	96.4	42%	0.42	54%	0.542	S	S	.	.			trans	-50.4	144.5	157	44	0	0	0	0	108.2	R288 A292 E480	R288-S290 PolarHBondContact O-N 2.87Å; S290-A292 PolarHBondContact O-N 2.84Å; S290-E480 WeakPolarHBondContact CA-OE2 3.23Å
291	K	49.3	Very low	57.5	Low	148 Å²	148	95.6 Å²	95.6	64%	0.643	52%	0.524	S	S	*	.			trans	-39.1	108.2	177.1	-76.1	-175.5	-172.9	75.6	0	110.7	I293 E480	K291-I293 PolarHBondContact O-N 2.77Å; K291-I293 VanDerWaalsContact O-N 3.17Å; K291-E480 PolarHBondContact N-OE2 2.95Å; K291-E480 IonicContact NZ-OE1 3.61Å; K291-E480 PolarHBondContact NZ-OE1 2.89Å
292	A	60.1	Low	59.8	Low	65 Å²	65	92.4 Å²	92.4	54%	0.537	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-51.2	122.6	178.9	0	0	0	0	0	108.7	S290 P294 E325	S290-A292 PolarHBondContact O-N 2.84Å; A292-P294 WeakPolarHBondContact O-CD 3.5Å; A292-E325 HydrophobicContact CB-CG 3.97Å
293	I	69.1	Low	61.9	Low	23 Å²	23	89.9 Å²	89.9	12%	0.118	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-59.5	118.3	-174.8	-65.3	174.7	0	0	0	107.3	K291 V324 L393 L396 I448	K291-I293 PolarHBondContact O-N 2.77Å; K291-I293 VanDerWaalsContact O-N 3.17Å; I293-V324 HydrophobicContact CB-CB 4.3Å; I293-V324 HydrophobicContact CD1-CG1 4.13Å; I293-V324 HydrophobicContact CG2-CB 4.29Å; I293-V324 HydrophobicContact CG2-CG2 4.08Å; I293-L393 HydrophobicContact CG2-CD2 4.15Å; I293-L396 HydrophobicContact CD1-CD2 3.47Å; I293-L396 VanDerWaalsContact CD1-CD2 3.47Å; I293-I448 HydrophobicContact CD1-CG1 4.39Å
294	P	74.5	Confident	63.4	Low	76 Å²	76	85.8 Å²	85.8	49%	0.494	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-63.4	143.9	-169.4	24.7	-34.1	0	0	0	110.5	A292 Q296	A292-P294 WeakPolarHBondContact O-CD 3.5Å; P294-Q296 PolarHBondContact O-N 3.12Å
295	V	79.6	Confident	64.4	Low	86 Å²	86	88.6 Å²	88.6	52%	0.521	45%	0.447	S	S	.	.			trans	-63.5	109.7	-178.9	179.2	0	0	0	0	109.2	V322 D323	V295-V322 CarbonylContact C-O 3.54Å; V295-V322 WeakPolarHBondContact CA-O 3.4Å; V295-D323 HydrophobicContact CG1-CB 4.13Å; V295-D323 HydrophobicContact CG2-CB 4.01Å
296	Q	83.6	Confident	65.2	Low	45 Å²	45	86 Å²	86	21%	0.21	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.2	-159.2	-162.4	59.6	37.3	0	0	112	P294 F298 S321 V322 L393 M444	P294-Q296 PolarHBondContact O-N 3.12Å; Q296-F298 HydrophobicContact CB-CE2 4.24Å; Q296-F298 HydrophobicContact CG-CE2 3.9Å; Q296-F298 HydrophobicContact CG-CZ 4.24Å; Q296-S321 WeakPolarHBondContact O-CA 3.46Å; Q296-V322 PolarHBondContact N-O 2.69Å; Q296-V322 PolarHBondContact O-N 3.47Å; Q296-L393 HydrophobicContact CB-CD1 3.94Å; Q296-L393 HydrophobicContact CG-CD1 3.96Å; Q296-M444 HydrophobicContact CG-CB 4Å; Q296-M444 HydrophobicContact CG-CG 3.77Å; Q296-M444 HydrophobicContact CG-SD 3.43Å; Q296-M444 WeakPolarHBondContact CG-SD 3.27Å; Q296-M444 PolarHBondContact NE2-SD 3.17Å
297	A	86.7	Confident	65.9	Low	51 Å²	51	85.9 Å²	85.9	42%	0.421	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131.2	-170.6	0	0	0	0	0	113.8	T319 L320	A297-T319 HydrophobicContact CB-CG2 3.96Å; A297-L320 CarbonylContact C-O 3.51Å; A297-L320 WeakPolarHBondContact CA-O 3.32Å
298	F	88.8	Confident	66.7	Low	6 Å²	6	84.5 Å²	84.5	3%	0.026	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.9	-179.4	-64	-100.9	0	0	0	110.4	Q296 V300 T319 L320 F381 K386 A389 F390 L393 M444	Q296-F298 HydrophobicContact CB-CE2 4.24Å; Q296-F298 HydrophobicContact CG-CE2 3.9Å; Q296-F298 HydrophobicContact CG-CZ 4.24Å; F298-V300 HydrophobicContact CB-CG1 4.35Å; F298-V300 PolarHBondContact O-N 2.87Å; F298-T319 WeakPolarHBondContact O-CA 3.32Å; F298-L320 HydrophobicContact CB-CB 4.42Å; F298-L320 PolarHBondContact N-O 2.86Å; F298-L320 PolarHBondContact O-N 2.84Å; F298-F381 HydrophobicContact CB-CD1 4.45Å; F298-F381 HydrophobicContact CB-CE1 4.06Å; F298-F381 HydrophobicContact CD1-CD1 4.12Å; F298-F381 AromaticContact CD1-CE1 3.98Å; F298-F381 HydrophobicContact CD1-CE1 3.98Å; F298-F381 HydrophobicContact CG-CE1 4.15Å; F298-K386 HydrophobicContact CD1-CB 4.35Å; F298-K386 HydrophobicContact CE1-CB 4.35Å; F298-K386 VanDerWaalsContact CE1-O 3.25Å; F298-K386 WeakPolarHBondContact CE1-O 3.28Å; F298-A389 HydrophobicContact CE1-CB 4.29Å; F298-A389 HydrophobicContact CZ-CB 4.35Å; F298-F390 HydrophobicContact CD1-CB 4.21Å; F298-F390 HydrophobicContact CD2-CB 4.47Å; F298-F390 AromaticContact CD2-CD2 3.67Å; F298-F390 HydrophobicContact CD2-CD2 3.67Å; F298-F390 HydrophobicContact CD2-CE2 4.48Å; F298-F390 HydrophobicContact CE1-CB 3.94Å; F298-F390 HydrophobicContact CE2-CB 4.22Å; F298-F390 AromaticContact CE2-CD2 3.88Å; F298-F390 HydrophobicContact CE2-CD2 3.88Å; F298-F390 HydrophobicContact CG-CB 4.48Å; F298-F390 HydrophobicContact CG-CD2 4.09Å; F298-F390 HydrophobicContact CZ-CB 3.95Å; F298-F390 HydrophobicContact CZ-CD2 4.46Å; F298-L393 HydrophobicContact CE2-CD1 3.89Å; F298-L393 HydrophobicContact CZ-CD1 3.81Å; F298-M444 HydrophobicContact CD1-SD 4.44Å; F298-M444 HydrophobicContact CE1-SD 3.59Å; F298-M444 VanDerWaalsContact CE1-SD 3.59Å; F298-M444 HydrophobicContact CE2-SD 4.13Å; F298-M444 HydrophobicContact CZ-SD 3.4Å; F298-M444 WeakPolarHBondContact CZ-SD 3.4Å
299	E	88.2	Confident	67.7	Low	92 Å²	92	78.7 Å²	78.7	43%	0.43	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	124.7	166.1	-71.7	-141.1	149.5	0	0	110.2	K317 K334	E299-K317 IonicContact OE2-NZ 3.27Å; E299-K317 PolarHBondContact OE2-NZ 2.96Å; E299-K334 IonicContact OE1-NZ 3.58Å; E299-K334 PolarHBondContact OE1-NZ 2.72Å
300	V	90.1	Very high	68.4	Low	4 Å²	4	77.9 Å²	77.9	2%	0.024	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	162.6	-179.7	-56.9	0	0	0	0	110.9	F298 Y318 L320 F379 I380 F381	F298-V300 HydrophobicContact CB-CG1 4.35Å; F298-V300 PolarHBondContact O-N 2.87Å; V300-Y318 PolarHBondContact N-O 3.22Å; V300-Y318 PolarHBondContact O-N 2.74Å; V300-L320 HydrophobicContact CG1-CD1 3.98Å; V300-L320 HydrophobicContact CG1-CG 4.37Å; V300-L320 HydrophobicContact CG2-CD1 3.87Å; V300-L320 HydrophobicContact CG2-CD2 4.47Å; V300-L320 HydrophobicContact CG2-CG 3.79Å; V300-F379 HydrophobicContact CB-CB 4.31Å; V300-F379 HydrophobicContact CB-CD1 4.49Å; V300-F379 HydrophobicContact CG2-CB 4.13Å; V300-F379 HydrophobicContact CG2-CD1 3.51Å; V300-F379 HydrophobicContact CG2-CE1 4.22Å; V300-F379 HydrophobicContact CG2-CG 4.1Å; V300-I380 WeakPolarHBondContact CA-O 3.4Å; V300-I380 WeakPolarHBondContact CB-O 3.26Å; V300-F381 HydrophobicContact CG1-CD1 3.7Å; V300-F381 HydrophobicContact CG1-CD2 4.13Å; V300-F381 HydrophobicContact CG1-CE1 3.73Å; V300-F381 HydrophobicContact CG1-CE2 4.14Å; V300-F381 HydrophobicContact CG1-CG 3.9Å; V300-F381 HydrophobicContact CG1-CZ 3.94Å
301	K	88.1	Confident	68.7	Low	116 Å²	116	84 Å²	84	50%	0.504	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	136.5	168.2	-61.5	170.3	-173.9	168.9	0	108.5	F379 I380	K301-F379 CarbonylContact O-C 3.47Å; K301-F379 WeakPolarHBondContact O-CA 3.46Å; K301-I380 HydrophobicContact CB-CB 4.48Å; K301-I380 PolarHBondContact N-O 2.91Å; K301-I380 PolarHBondContact O-N 2.88Å
302	L	84	Confident	69	Low	36 Å²	36	81.4 Å²	81.4	19%	0.188	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	129.1	167	-170.5	75.7	0	0	0	108.8	V304 Q316 Y318 K377 D378 F379	L302-V304 HydrophobicContact CB-CG2 4.38Å; L302-V304 HydrophobicContact CD2-CG2 3.87Å; L302-V304 HydrophobicContact CG-CG2 4.05Å; L302-Q316 PolarHBondContact N-O 3.25Å; L302-Y318 HydrophobicContact CB-CD2 3.77Å; L302-Y318 HydrophobicContact CB-CE2 3.62Å; L302-Y318 HydrophobicContact CD2-CE2 3.91Å; L302-Y318 HydrophobicContact CG-CE2 4.26Å; L302-K377 HydrophobicContact CD1-CB 4.12Å; L302-D378 WeakPolarHBondContact CD1-O 3.29Å; L302-F379 HydrophobicContact CD1-CD1 3.94Å; L302-F379 HydrophobicContact CD1-CE1 3.66Å; L302-F379 HydrophobicContact CD1-CZ 4.16Å
303	D	75.8	Confident	68.3	Low	64 Å²	64	81.8 Å²	81.8	34%	0.342	45%	0.447	S	S	.	.			trans	-80.8	125.6	170.8	-166.4	15.7	0	0	0	109	K362 D378 I380	D303-K362 IonicContact OD2-NZ 2.71Å; D303-K362 PolarHBondContact OD2-NZ 3.38Å; D303-D378 HydrophobicContact CB-CB 3.94Å; D303-D378 PolarHBondContact N-O 2.88Å; D303-I380 HydrophobicContact CB-CD1 3.95Å; D303-I380 HydrophobicContact CB-CG1 4.12Å
304	V	68.7	Low	67.6	Low	29 Å²	29	88 Å²	88	18%	0.176	47%	0.473	C	S	.	.			trans	-128.8	117.2	-168.2	174.4	0	0	0	0	108.6	L302 E308	L302-V304 HydrophobicContact CB-CG2 4.38Å; L302-V304 HydrophobicContact CD2-CG2 3.87Å; L302-V304 HydrophobicContact CG-CG2 4.05Å; V304-E308 HydrophobicContact CG1-CB 3.69Å
305	Y	57.1	Low	66.8	Low	183 Å²	183	88.7 Å²	88.7	72%	0.718	48%	0.48	S	S	*	.			trans	-56.6	145.4	-177.5	-85.7	-92.5	0	0	0	112.2	A307 E308	Y305-A307 PolarHBondContact O-N 2.74Å; Y305-E308 PolarHBondContact O-N 2.58Å
306	L	49.2	Very low	66.3	Low	143 Å²	143	86.5 Å²	86.5	75%	0.749	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-20.8	-168.3	-159.7	67.4	0	0	0	115.3	L309	L306-L309 HydrophobicContact CD1-CD1 4.17Å
307	A	45.2	Very low	66.2	Low	80 Å²	80	89.4 Å²	89.4	66%	0.661	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-40.2	175.6	0	0	0	0	0	113.6	Y305 T310	Y305-A307 PolarHBondContact O-N 2.74Å; A307-T310 PolarHBondContact O-OG1 3.49Å
308	E	50.6	Low	66.3	Low	128 Å²	128	88.2 Å²	88.2	60%	0.598	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-81.8	-27	-177	-66.2	-164.5	149.9	0	0	113.1	V304 Y305 T310 K311 I312	V304-E308 HydrophobicContact CG1-CB 3.69Å; Y305-E308 PolarHBondContact O-N 2.58Å; E308-T310 PolarHBondContact O-N 2.7Å; E308-K311 PolarHBondContact O-N 2.97Å; E308-I312 PolarHBondContact O-N 2.91Å
309	L	53	Low	66.3	Low	79 Å²	79	88.4 Å²	88.4	41%	0.414	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-55.7	-25.9	176.3	-86.8	163.6	0	0	0	113.1	L306 K311	L306-L309 HydrophobicContact CD1-CD1 4.17Å; L309-K311 PolarHBondContact O-N 2.88Å
310	T	49.8	Very low	66.5	Low	121 Å²	121	84 Å²	84	74%	0.742	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-69.8	-12.8	175.8	64	0	0	0	0	114.6	A307 E308	A307-T310 PolarHBondContact O-OG1 3.49Å; E308-T310 PolarHBondContact O-N 2.7Å
311	K	51.9	Low	66.4	Low	190 Å²	190	84.4 Å²	84.4	83%	0.826	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-24.5	173.2	-74.8	-174.4	175.7	179.9	0	114.2	E308 L309	E308-K311 PolarHBondContact O-N 2.97Å; L309-K311 PolarHBondContact O-N 2.88Å
312	I	55.6	Low	66.5	Low	93 Å²	93	78.9 Å²	78.9	48%	0.477	42%	0.421	S	S	.	.			trans	-131.9	82.6	-176.3	-50.9	179.5	0	0	0	109.5	E308 K314	E308-I312 PolarHBondContact O-N 2.91Å; I312-K314 PolarHBondContact O-N 2.65Å
313	G	44.9	Very low	66.7	Low	72 Å²	72	78.1 Å²	78.1	74%	0.742	42%	0.416	S	S	*	.			trans	-73.5	39.3	-175.9	0	0	0	0	0	116
314	K	54	Low	67	Low	154 Å²	154	75.1 Å²	75.1	67%	0.67	40%	0.4	S	S	*	.	S	Bend	trans	-145	133.9	177.2	-65.4	-176.5	-177.7	172.4	0	110.6	I312 Q316	I312-K314 PolarHBondContact O-N 2.65Å; K314-Q316 PolarHBondContact O-N 3.38Å
315	S	57.2	Low	67.8	Low	90 Å²	90	77 Å²	77	63%	0.629	41%	0.407	S	S	*	.			trans	-66.3	126.3	173.9	47.4	0	0	0	0	110.5	K317	S315-K317 PolarHBondContact O-N 3.19Å
316	Q	70.8	Confident	69	Low	41 Å²	41	69.7 Å²	69.7	19%	0.192	39%	0.388	C	S	.	.			trans	-82.8	115.4	-178.7	-63.6	-178.5	53.2	0	0	108.9	L302 K314 Y318	L302-Q316 PolarHBondContact N-O 3.25Å; K314-Q316 PolarHBondContact O-N 3.38Å; Q316-Y318 HydrophobicContact CB-CD2 4.32Å; Q316-Y318 HydrophobicContact CB-CE2 3.77Å
317	K	81.3	Confident	70.8	Confident	106 Å²	106	63 Å²	63	46%	0.461	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	132.8	171.7	-81.8	-165.3	166.7	-153.1	0	110	E299 S315 K334	E299-K317 IonicContact OE2-NZ 3.27Å; E299-K317 PolarHBondContact OE2-NZ 2.96Å; S315-K317 PolarHBondContact O-N 3.19Å; K317-K334 PolarHBondContact O-N 2.89Å
318	Y	88.3	Confident	73	Confident	26 Å²	26	64.5 Å²	64.5	10%	0.102	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	156.1	172.2	-76.6	-99.5	0	0	0	110.1	V300 L302 Q316 V331 M332 K333 F379	V300-Y318 PolarHBondContact N-O 3.22Å; V300-Y318 PolarHBondContact O-N 2.74Å; L302-Y318 HydrophobicContact CB-CD2 3.77Å; L302-Y318 HydrophobicContact CB-CE2 3.62Å; L302-Y318 HydrophobicContact CD2-CE2 3.91Å; L302-Y318 HydrophobicContact CG-CE2 4.26Å; Q316-Y318 HydrophobicContact CB-CD2 4.32Å; Q316-Y318 HydrophobicContact CB-CE2 3.77Å; Y318-V331 HydrophobicContact CD1-CG1 3.87Å; Y318-V331 HydrophobicContact CE1-CG1 4.3Å; Y318-M332 CarbonylContact C-O 3.6Å; Y318-M332 VanDerWaalsContact CA-O 3.24Å; Y318-M332 WeakPolarHBondContact CA-O 3.28Å; Y318-M332 WeakPolarHBondContact CD1-O 3.34Å; Y318-K333 HydrophobicContact CD1-CB 4.03Å; Y318-K333 HydrophobicContact CE1-CB 3.62Å; Y318-K333 HydrophobicContact CE1-CD 4.26Å; Y318-K333 HydrophobicContact CE1-CG 3.93Å; Y318-K333 HydrophobicContact CE2-CG 4.49Å; Y318-F379 HydrophobicContact CD1-CE1 4.45Å; Y318-F379 HydrophobicContact CD2-CE1 4.48Å; Y318-F379 HydrophobicContact CG-CE1 4.15Å
319	T	89.3	Confident	74.9	Confident	9 Å²	9	58.4 Å²	58.4	6%	0.055	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.5	167.5	-57.5	0	0	0	0	108.2	A297 F298 M332	A297-T319 HydrophobicContact CB-CG2 3.96Å; F298-T319 WeakPolarHBondContact O-CA 3.32Å; T319-M332 HydrophobicContact CG2-CE 3.72Å; T319-M332 PolarHBondContact N-O 3.3Å; T319-M332 PolarHBondContact O-N 2.78Å
320	L	91.3	Very high	76.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	113.7	175.4	-56.1	178.7	0	0	0	108.1	A297 F298 V300 L329 V330 V331 I365 F379 F381 F390	A297-L320 CarbonylContact C-O 3.51Å; A297-L320 WeakPolarHBondContact CA-O 3.32Å; F298-L320 HydrophobicContact CB-CB 4.42Å; F298-L320 PolarHBondContact N-O 2.86Å; F298-L320 PolarHBondContact O-N 2.84Å; V300-L320 HydrophobicContact CG1-CD1 3.98Å; V300-L320 HydrophobicContact CG1-CG 4.37Å; V300-L320 HydrophobicContact CG2-CD1 3.87Å; V300-L320 HydrophobicContact CG2-CD2 4.47Å; V300-L320 HydrophobicContact CG2-CG 3.79Å; L320-L329 HydrophobicContact CB-CD1 4.13Å; L320-V330 WeakPolarHBondContact CA-O 3.4Å; L320-V331 HydrophobicContact CD2-CB 4.2Å; L320-V331 HydrophobicContact CD2-CG1 3.85Å; L320-V331 HydrophobicContact CD2-CG2 3.8Å; L320-I365 HydrophobicContact CD1-CD1 4.28Å; L320-F379 HydrophobicContact CD1-CB 4.46Å; L320-F379 HydrophobicContact CD1-CD1 4.46Å; L320-F379 HydrophobicContact CD1-CD2 4.16Å; L320-F379 HydrophobicContact CD1-CE2 4.49Å; L320-F379 HydrophobicContact CD1-CG 4.13Å; L320-F379 HydrophobicContact CD2-CE1 4.1Å; L320-F379 HydrophobicContact CD2-CE2 4.2Å; L320-F379 HydrophobicContact CD2-CZ 3.91Å; L320-F381 HydrophobicContact CD1-CE1 4.45Å; L320-F381 HydrophobicContact CD1-CZ 3.83Å; L320-F390 HydrophobicContact CB-CD2 4.48Å; L320-F390 HydrophobicContact CB-CE2 3.7Å; L320-F390 HydrophobicContact CB-CZ 4.22Å; L320-F390 HydrophobicContact CD1-CE1 4.32Å; L320-F390 HydrophobicContact CD1-CE2 3.92Å; L320-F390 HydrophobicContact CD1-CZ 3.73Å; L320-F390 HydrophobicContact CG-CE2 4.44Å
321	S	89.4	Confident	78.5	Confident	13 Å²	13	50.6 Å²	50.6	9%	0.091	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118	179.5	-58	0	0	0	0	110.5	Q296 L329 V330	Q296-S321 WeakPolarHBondContact O-CA 3.46Å; S321-L329 WeakPolarHBondContact O-CA 3.35Å; S321-V330 PolarHBondContact N-O 3.2Å; S321-V330 PolarHBondContact O-N 2.87Å
322	V	89.1	Confident	80.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.3	178.2	-172.2	0	0	0	0	110	V295 Q296 V324 L329 F390 L393 L394 M397	V295-V322 CarbonylContact C-O 3.54Å; V295-V322 WeakPolarHBondContact CA-O 3.4Å; Q296-V322 PolarHBondContact N-O 2.69Å; Q296-V322 PolarHBondContact O-N 3.47Å; V322-V324 HydrophobicContact CG1-CG2 3.9Å; V322-L329 HydrophobicContact CG2-CD1 4.26Å; V322-F390 HydrophobicContact CG2-CD2 3.69Å; V322-F390 HydrophobicContact CG2-CE2 3.51Å; V322-F390 HydrophobicContact CG2-CZ 4.48Å; V322-L393 HydrophobicContact CB-CB 4.44Å; V322-L393 HydrophobicContact CG1-CB 4.12Å; V322-L394 HydrophobicContact CB-CD2 4.5Å; V322-L394 HydrophobicContact CG1-CD2 3.87Å; V322-L394 HydrophobicContact CG2-CD2 3.84Å; V322-L394 HydrophobicContact CG2-CG 4.29Å; V322-M397 HydrophobicContact CG1-SD 4.1Å
323	D	87.8	Confident	81.5	Confident	19 Å²	19	42.1 Å²	42.1	10%	0.102	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	89.2	174.6	169.6	21.8	0	0	0	108.2	V295 E325 G326 G327 R328	V295-D323 HydrophobicContact CG1-CB 4.13Å; V295-D323 HydrophobicContact CG2-CB 4.01Å; D323-E325 VanDerWaalsContact C-N 3.33Å; D323-G326 WeakPolarHBondContact OD1-CA 3.44Å; D323-G326 PolarHBondContact OD1-N 2.87Å; D323-G326 WeakPolarHBondContact OD2-CA 3.48Å; D323-G327 PolarHBondContact O-N 3.46Å; D323-R328 HydrophobicContact CB-CB 4.24Å; D323-R328 WeakPolarHBondContact CB-O 3.27Å; D323-R328 PolarHBondContact N-O 3.49Å; D323-R328 PolarHBondContact O-N 2.78Å; D323-R328 IonicContact OD2-CZ 2.8Å; D323-R328 IonicContact OD2-NE 3.12Å; D323-R328 PolarHBondContact OD2-NE 2.85Å; D323-R328 IonicContact OD2-NH2 2.67Å; D323-R328 PolarHBondContact OD2-NH2 2.99Å
324	V	83.5	Confident	82.5	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-35.2	-176.7	-178.7	0	0	0	0	111.4	I293 V322 L393 L396 M397 K400 H401	I293-V324 HydrophobicContact CB-CB 4.3Å; I293-V324 HydrophobicContact CD1-CG1 4.13Å; I293-V324 HydrophobicContact CG2-CB 4.29Å; I293-V324 HydrophobicContact CG2-CG2 4.08Å; V322-V324 HydrophobicContact CG1-CG2 3.9Å; V324-L393 HydrophobicContact CG2-CB 4.44Å; V324-L393 HydrophobicContact CG2-CD2 3.97Å; V324-L396 HydrophobicContact CG1-CB 4.49Å; V324-L396 HydrophobicContact CG1-CD2 4.06Å; V324-L396 HydrophobicContact CG1-CG 3.93Å; V324-M397 HydrophobicContact CG1-CB 4.39Å; V324-M397 HydrophobicContact CG2-CB 4.42Å; V324-K400 HydrophobicContact CG1-CD 4.42Å; V324-H401 PolarHBondContact O-CD2 2.78Å; V324-H401 PolarHBondContact O-NE2 2.85Å
325	E	84.5	Confident	83.2	Confident	69 Å²	69	39 Å²	39	32%	0.322	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-41.3	178.9	-63.9	-55.9	123.1	0	0	112.3	A292 D323 K400 H401	A292-E325 HydrophobicContact CB-CG 3.97Å; D323-E325 VanDerWaalsContact C-N 3.33Å; E325-K400 IonicContact OE1-NZ 2.65Å; E325-K400 PolarHBondContact OE1-NZ 2.88Å; E325-K400 IonicContact OE2-NZ 3.3Å; E325-K400 PolarHBondContact OE2-NZ 2.86Å; E325-H401 PolarHBondContact O-CE1 3.1Å; E325-H401 PolarHBondContact O-NE2 2.99Å; E325-H401 VanDerWaalsContact O-NE2 3.1Å
326	G	83.7	Confident	83.1	Confident	29 Å²	29	42.4 Å²	42.4	30%	0.299	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-1.8	179.3	0	0	0	0	0	115.8	D323 R328	D323-G326 WeakPolarHBondContact OD1-CA 3.44Å; D323-G326 PolarHBondContact OD1-N 2.87Å; D323-G326 WeakPolarHBondContact OD2-CA 3.48Å; G326-R328 WeakPolarHBondContact O-CG 3.44Å; G326-R328 PolarHBondContact O-NE 2.95Å
327	G	86.2	Confident	82.3	Confident	2 Å²	2	46.3 Å²	46.3	2%	0.021	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	30.7	172.7	0	0	0	0	0	114.6	D323 T346 H347 M397 H401	D323-G327 PolarHBondContact O-N 3.46Å; G327-T346 WeakPolarHBondContact O-CA 3.36Å; G327-H347 PolarHBondContact O-N 2.65Å; G327-M397 VanDerWaalsContact C-SD 3.55Å; G327-H401 WeakPolarHBondContact CA-NE2 3.3Å; G327-H401 PolarHBondContact N-CE1 3.13Å; G327-H401 VanDerWaalsContact N-CE1 3.34Å; G327-H401 PolarHBondContact N-NE2 3.13Å
328	R	91	Very high	81	Confident	113 Å²	113	49 Å²	49	43%	0.426	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.8	-166.5	-67.9	170.1	-61.8	-150.1	3.3	113.8	D323 G326 T344 F345 T346 M397	D323-R328 HydrophobicContact CB-CB 4.24Å; D323-R328 WeakPolarHBondContact CB-O 3.27Å; D323-R328 PolarHBondContact N-O 3.49Å; D323-R328 PolarHBondContact O-N 2.78Å; D323-R328 IonicContact OD2-CZ 2.8Å; D323-R328 IonicContact OD2-NE 3.12Å; D323-R328 PolarHBondContact OD2-NE 2.85Å; D323-R328 IonicContact OD2-NH2 2.67Å; D323-R328 PolarHBondContact OD2-NH2 2.99Å; G326-R328 WeakPolarHBondContact O-CG 3.44Å; G326-R328 PolarHBondContact O-NE 2.95Å; R328-T344 HydrophobicContact CB-CG2 4.06Å; R328-T344 HydrophobicContact CG-CG2 4.08Å; R328-F345 CarbonylContact C-O 3.55Å; R328-F345 WeakPolarHBondContact CA-O 3.17Å; R328-T346 HydrophobicContact CG-CG2 4.2Å; R328-M397 PolarHBondContact N-SD 2.98Å
329	L	91.1	Very high	79.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	116.2	164.5	169.6	57.4	0	0	0	109.2	L320 S321 V322 V331 F345 I350 F367 F390 L394	L320-L329 HydrophobicContact CB-CD1 4.13Å; S321-L329 WeakPolarHBondContact O-CA 3.35Å; V322-L329 HydrophobicContact CG2-CD1 4.26Å; L329-V331 HydrophobicContact CD2-CG2 4.48Å; L329-V331 HydrophobicContact CG-CG2 4.13Å; L329-F345 PolarHBondContact N-O 3.08Å; L329-F345 PolarHBondContact O-N 3.47Å; L329-I350 HydrophobicContact CB-CD1 3.88Å; L329-I350 HydrophobicContact CD2-CD1 3.85Å; L329-F367 HydrophobicContact CD2-CE1 3.91Å; L329-F367 HydrophobicContact CD2-CZ 4.06Å; L329-F390 HydrophobicContact CD1-CE2 3.93Å; L329-F390 HydrophobicContact CD1-CZ 4.02Å; L329-F390 HydrophobicContact CD2-CZ 4.01Å; L329-L394 HydrophobicContact CB-CD2 4.16Å; L329-L394 HydrophobicContact CD2-CD1 4.26Å; L329-L394 HydrophobicContact CD2-CD2 4.14Å
330	V	89.8	Confident	78.1	Confident	33 Å²	33	59.6 Å²	59.6	20%	0.2	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.9	173.3	-170.7	0	0	0	0	109.5	L320 S321 M332 W342 T344	L320-V330 WeakPolarHBondContact CA-O 3.4Å; S321-V330 PolarHBondContact N-O 3.2Å; S321-V330 PolarHBondContact O-N 2.87Å; V330-M332 HydrophobicContact CG1-CG 3.78Å; V330-M332 HydrophobicContact CG1-SD 4.44Å; V330-W342 HydrophobicContact CG1-CB 4.17Å; V330-T344 HydrophobicContact CG2-CG2 4.18Å
331	V	88.9	Confident	77.3	Confident	2 Å²	2	64 Å²	64	1%	0.012	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	100.4	178.6	-178.4	0	0	0	0	108.5	Y318 L320 L329 W342 T343 F345 F367 F379	Y318-V331 HydrophobicContact CD1-CG1 3.87Å; Y318-V331 HydrophobicContact CE1-CG1 4.3Å; L320-V331 HydrophobicContact CD2-CB 4.2Å; L320-V331 HydrophobicContact CD2-CG1 3.85Å; L320-V331 HydrophobicContact CD2-CG2 3.8Å; L329-V331 HydrophobicContact CD2-CG2 4.48Å; L329-V331 HydrophobicContact CG-CG2 4.13Å; V331-W342 WeakPolarHBondContact O-CA 3.43Å; V331-T343 PolarHBondContact N-O 3.12Å; V331-T343 PolarHBondContact O-N 2.88Å; V331-F345 HydrophobicContact CB-CE2 4.27Å; V331-F345 HydrophobicContact CG2-CD2 3.87Å; V331-F345 HydrophobicContact CG2-CE2 3.8Å; V331-F367 HydrophobicContact CG2-CZ 4.13Å; V331-F379 HydrophobicContact CG1-CZ 4.16Å
332	M	85.7	Confident	76.7	Confident	47 Å²	47	71.2 Å²	71.2	23%	0.232	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135.5	-177.8	-52.7	-170.3	-62.7	0	0	111.3	Y318 T319 V330 W342	Y318-M332 CarbonylContact C-O 3.6Å; Y318-M332 VanDerWaalsContact CA-O 3.24Å; Y318-M332 WeakPolarHBondContact CA-O 3.28Å; Y318-M332 WeakPolarHBondContact CD1-O 3.34Å; T319-M332 HydrophobicContact CG2-CE 3.72Å; T319-M332 PolarHBondContact N-O 3.3Å; T319-M332 PolarHBondContact O-N 2.78Å; V330-M332 HydrophobicContact CG1-CG 3.78Å; V330-M332 HydrophobicContact CG1-SD 4.44Å; M332-W342 HydrophobicContact CG-CB 3.95Å
333	K	83.6	Confident	76.6	Confident	58 Å²	58	73.8 Å²	73.8	25%	0.252	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.4	176.3	-177.6	-180	179.2	160.9	0	110.1	Y318 V335 D341	Y318-K333 HydrophobicContact CD1-CB 4.03Å; Y318-K333 HydrophobicContact CE1-CB 3.62Å; Y318-K333 HydrophobicContact CE1-CD 4.26Å; Y318-K333 HydrophobicContact CE1-CG 3.93Å; Y318-K333 HydrophobicContact CE2-CG 4.49Å; K333-V335 HydrophobicContact CD-CG2 4.2Å; K333-V335 HydrophobicContact CG-CG2 4.11Å; K333-V335 PolarHBondContact O-N 2.87Å; K333-V335 VanDerWaalsContact O-N 3.15Å; K333-D341 HydrophobicContact CB-CB 4.34Å; K333-D341 PolarHBondContact N-O 2.85Å; K333-D341 PolarHBondContact O-N 3.15Å
334	K	67.1	Low	76.6	Confident	95 Å²	95	76 Å²	76	41%	0.413	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	97.2	174.4	-69.5	-178.2	-178.3	175.4	0	109.9	E299 K317	E299-K334 IonicContact OE1-NZ 3.58Å; E299-K334 PolarHBondContact OE1-NZ 2.72Å; K317-K334 PolarHBondContact O-N 2.89Å
335	V	67.8	Low	76.7	Confident	67 Å²	67	76.8 Å²	76.8	41%	0.406	38%	0.378	S	S	.	.			trans	-83.2	153.3	170.9	-169.1	0	0	0	0	109.2	K333 D337 Q339	K333-V335 HydrophobicContact CD-CG2 4.2Å; K333-V335 HydrophobicContact CG-CG2 4.11Å; K333-V335 PolarHBondContact O-N 2.87Å; K333-V335 VanDerWaalsContact O-N 3.15Å; V335-D337 VanDerWaalsContact C-N 3.26Å; V335-D337 PolarHBondContact O-N 3.34Å; V335-Q339 WeakPolarHBondContact CB-O 3.19Å
336	K	54.8	Low	76.9	Confident	160 Å²	160	75.8 Å²	75.8	70%	0.696	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-18	-165.3	-163.8	-175.6	150.3	-66.5	0	114.7
337	D	53.9	Low	76.8	Confident	124 Å²	124	76.3 Å²	76.3	66%	0.663	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	44.8	-166.8	-49.5	-52.9	0	0	0	111.6	V335 Q339	V335-D337 VanDerWaalsContact C-N 3.26Å; V335-D337 PolarHBondContact O-N 3.34Å; D337-Q339 PolarHBondContact O-N 2.92Å
338	N	54.5	Low	76.6	Confident	161 Å²	161	80.1 Å²	80.1	86%	0.861	39%	0.391	S	S	*	.	S	Bend	trans	58.2	2.9	177.9	-83.5	15.1	0	0	0	118.2	E340	N338-E340 PolarHBondContact O-N 2.88Å
339	Q	52.4	Low	76.5	Confident	161 Å²	161	79 Å²	79	75%	0.752	39%	0.39	S	S	*	.			trans	-89.2	104.8	173.5	-160.2	170.5	20.8	0	0	110.2	V335 D337	V335-Q339 WeakPolarHBondContact CB-O 3.19Å; D337-Q339 PolarHBondContact O-N 2.92Å
340	E	63.7	Low	76.2	Confident	98 Å²	98	79 Å²	79	46%	0.458	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	129.7	177.2	-60.5	-163.5	136.6	0	0	111	N338 W342	N338-E340 PolarHBondContact O-N 2.88Å; E340-W342 HydrophobicContact CB-CE3 4.32Å
341	D	75	Confident	75.8	Confident	92 Å²	92	82.5 Å²	82.5	49%	0.492	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	116.4	176.3	170.9	26.8	0	0	0	108.4	K333	K333-D341 HydrophobicContact CB-CB 4.34Å; K333-D341 PolarHBondContact N-O 2.85Å; K333-D341 PolarHBondContact O-N 3.15Å
342	W	77.2	Confident	75.5	Confident	164 Å²	164	85.8 Å²	85.8	62%	0.621	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.1	-176.1	64.3	80.9	0	0	0	112.1	V330 V331 M332 E340	V330-W342 HydrophobicContact CG1-CB 4.17Å; V331-W342 WeakPolarHBondContact O-CA 3.43Å; M332-W342 HydrophobicContact CG-CB 3.95Å; E340-W342 HydrophobicContact CB-CE3 4.32Å
343	T	85.7	Confident	75.6	Confident	55 Å²	55	83.5 Å²	83.5	34%	0.337	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.7	173.6	-40.5	0	0	0	0	110.1	V331 F345	V331-T343 PolarHBondContact N-O 3.12Å; V331-T343 PolarHBondContact O-N 2.88Å; T343-F345 HydrophobicContact CG2-CD2 4.34Å; T343-F345 HydrophobicContact CG2-CE1 4.21Å; T343-F345 HydrophobicContact CG2-CE2 3.55Å; T343-F345 HydrophobicContact CG2-CZ 3.47Å; T343-F345 VanDerWaalsContact CG2-CZ 3.47Å
344	T	87.7	Confident	75.6	Confident	66 Å²	66	81.3 Å²	81.3	41%	0.405	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126	176.8	-54.5	0	0	0	0	110.7	R328 V330	R328-T344 HydrophobicContact CB-CG2 4.06Å; R328-T344 HydrophobicContact CG-CG2 4.08Å; V330-T344 HydrophobicContact CG2-CG2 4.18Å
345	F	86.9	Confident	76.5	Confident	16 Å²	16	78.4 Å²	78.4	7%	0.07	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.3	173.2	-59.5	-88.6	0	0	0	109.1	R328 L329 V331 T343 K349 I350 F367	R328-F345 CarbonylContact C-O 3.55Å; R328-F345 WeakPolarHBondContact CA-O 3.17Å; L329-F345 PolarHBondContact N-O 3.08Å; L329-F345 PolarHBondContact O-N 3.47Å; V331-F345 HydrophobicContact CB-CE2 4.27Å; V331-F345 HydrophobicContact CG2-CD2 3.87Å; V331-F345 HydrophobicContact CG2-CE2 3.8Å; T343-F345 HydrophobicContact CG2-CD2 4.34Å; T343-F345 HydrophobicContact CG2-CE1 4.21Å; T343-F345 HydrophobicContact CG2-CE2 3.55Å; T343-F345 HydrophobicContact CG2-CZ 3.47Å; T343-F345 VanDerWaalsContact CG2-CZ 3.47Å; F345-K349 HydrophobicContact CD1-CB 4.47Å; F345-I350 HydrophobicContact CB-CG1 4.44Å; F345-F367 HydrophobicContact CB-CD1 3.98Å; F345-F367 HydrophobicContact CB-CE1 4.01Å; F345-F367 HydrophobicContact CD1-CB 4.01Å; F345-F367 AromaticContact CD1-CD1 3.31Å; F345-F367 HydrophobicContact CD1-CD1 3.31Å; F345-F367 AromaticContact CD1-CE1 3.98Å; F345-F367 HydrophobicContact CD1-CE1 3.98Å; F345-F367 AromaticContact CD1-CG 3.9Å; F345-F367 HydrophobicContact CD1-CG 3.9Å; F345-F367 AromaticContact CD2-CD1 3.66Å; F345-F367 HydrophobicContact CD2-CD1 3.66Å; F345-F367 AromaticContact CD2-CE1 3.41Å; F345-F367 HydrophobicContact CD2-CE1 3.41Å; F345-F367 VanDerWaalsContact CD2-CE1 3.41Å; F345-F367 HydrophobicContact CD2-CG 4.49Å; F345-F367 HydrophobicContact CD2-CZ 4.11Å; F345-F367 HydrophobicContact CE1-CB 3.68Å; F345-F367 AromaticContact CE1-CD1 3.57Å; F345-F367 HydrophobicContact CE1-CD1 3.57Å; F345-F367 HydrophobicContact CE1-CE1 4.3Å; F345-F367 AromaticContact CE1-CG 3.69Å; F345-F367 HydrophobicContact CE1-CG 3.69Å; F345-F367 AromaticContact CE2-CD1 3.9Å; F345-F367 HydrophobicContact CE2-CD1 3.9Å; F345-F367 AromaticContact CE2-CE1 3.78Å; F345-F367 HydrophobicContact CE2-CE1 3.78Å; F345-F367 HydrophobicContact CE2-CG 4.31Å; F345-F367 HydrophobicContact CE2-CZ 4.12Å; F345-F367 AromaticContact CG-CD1 3.35Å; F345-F367 HydrophobicContact CG-CD1 3.35Å; F345-F367 AromaticContact CG-CE1 3.51Å; F345-F367 HydrophobicContact CG-CE1 3.51Å; F345-F367 HydrophobicContact CG-CG 4.3Å; F345-F367 HydrophobicContact CZ-CB 4.27Å; F345-F367 AromaticContact CZ-CD1 3.86Å; F345-F367 HydrophobicContact CZ-CD1 3.86Å; F345-F367 HydrophobicContact CZ-CD2 4.34Å; F345-F367 HydrophobicContact CZ-CE1 4.21Å; F345-F367 AromaticContact CZ-CG 3.9Å; F345-F367 HydrophobicContact CZ-CG 3.9Å
346	T	87.8	Confident	77.1	Confident	48 Å²	48	76 Å²	76	29%	0.294	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	158.3	169.9	43.5	0	0	0	0	110	G327 R328 D348 K349	G327-T346 WeakPolarHBondContact O-CA 3.36Å; R328-T346 HydrophobicContact CG-CG2 4.2Å; T346-D348 WeakPolarHBondContact CB-OD1 3.45Å; T346-D348 PolarHBondContact O-N 3Å; T346-D348 VanDerWaalsContact O-N 3.15Å; T346-D348 PolarHBondContact OG1-OD1 2.83Å; T346-K349 PolarHBondContact O-N 3.12Å; T346-K349 WeakPolarHBondContact OG1-CE 3.36Å
347	H	82.7	Confident	78	Confident	40 Å²	40	73.9 Å²	73.9	19%	0.185	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-53.5	-35.8	-172.3	76.4	-82.6	0	0	0	114.3	G327 K349 I350 M397 H401	G327-H347 PolarHBondContact O-N 2.65Å; H347-K349 VanDerWaalsContact C-N 3.27Å; H347-K349 PolarHBondContact O-N 2.82Å; H347-I350 PolarHBondContact O-N 2.28Å; H347-M397 HydrophobicContact CB-CE 3.87Å; H347-M397 HydrophobicContact CB-CG 4.49Å; H347-H401 HydrophobicContact CB-CB 4.48Å; H347-H401 PolarHBondContact CE1-O 2.83Å; H347-H401 VanDerWaalsContact CE1-O 3.3Å; H347-H401 WeakPolarHBondContact ND1-CB 3.39Å; H347-H401 PolarHBondContact NE2-O 2.87Å
348	D	82.3	Confident	79.2	Confident	83 Å²	83	75.6 Å²	75.6	44%	0.444	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-60.8	-32.8	176.1	60.7	-55.8	0	0	0	112.8	T346 I350	T346-D348 WeakPolarHBondContact CB-OD1 3.45Å; T346-D348 PolarHBondContact O-N 3Å; T346-D348 VanDerWaalsContact O-N 3.15Å; T346-D348 PolarHBondContact OG1-OD1 2.83Å; D348-I350 VanDerWaalsContact C-N 3.28Å; D348-I350 PolarHBondContact O-N 3.23Å
349	K	87.1	Confident	80.5	Confident	89 Å²	89	70.6 Å²	70.6	39%	0.387	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-84	0.3	-176.9	-57.3	-177.2	-174.6	173.6	0	113.3	F345 T346 H347 F367 E368	F345-K349 HydrophobicContact CD1-CB 4.47Å; T346-K349 PolarHBondContact O-N 3.12Å; T346-K349 WeakPolarHBondContact OG1-CE 3.36Å; H347-K349 VanDerWaalsContact C-N 3.27Å; H347-K349 PolarHBondContact O-N 2.82Å; K349-F367 CarbonylContact O-C 3.55Å; K349-F367 WeakPolarHBondContact O-CA 3.34Å; K349-E368 PolarHBondContact O-N 3.13Å
350	I	86.3	Confident	81.7	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	92.9	176.5	-37.2	179.8	0	0	0	108.8	L329 F345 H347 D348 L353 I365 F367 L394 M397 K398 W874	L329-I350 HydrophobicContact CB-CD1 3.88Å; L329-I350 HydrophobicContact CD2-CD1 3.85Å; F345-I350 HydrophobicContact CB-CG1 4.44Å; H347-I350 PolarHBondContact O-N 2.28Å; D348-I350 VanDerWaalsContact C-N 3.28Å; D348-I350 PolarHBondContact O-N 3.23Å; I350-L353 HydrophobicContact CG2-CD2 4.39Å; I350-I365 HydrophobicContact CG2-CG2 3.66Å; I350-F367 HydrophobicContact CG1-CE1 4.48Å; I350-L394 HydrophobicContact CD1-CD2 4.06Å; I350-M397 HydrophobicContact CD1-CE 3.73Å; I350-K398 PolarHBondContact O-NZ 2.79Å; I350-W874 HydrophobicContact CB-CZ3 4.08Å; I350-W874 HydrophobicContact CG2-CZ3 3.71Å
351	R	81.2	Confident	82.8	Confident	106 Å²	106	67.2 Å²	67.2	40%	0.4	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-38.6	-172.3	-74.4	-65.2	-170	147.2	4.5	113.2	V366 E368 E869 W874	R351-V366 HydrophobicContact CB-CG1 4.47Å; R351-V366 PolarHBondContact N-O 2.99Å; R351-E368 HydrophobicContact CG-CB 4.12Å; R351-E368 IonicContact CZ-OE2 2.69Å; R351-E368 IonicContact NE-OE2 2.72Å; R351-E368 PolarHBondContact NE-OE2 3.41Å; R351-E368 IonicContact NH2-OE1 2.73Å; R351-E368 IonicContact NH2-OE2 2.65Å; R351-E368 PolarHBondContact NH2-OE2 3.49Å; R351-E869 IonicContact NH1-OE1 3.82Å; R351-E869 PolarHBondContact NH1-OE1 2.89Å; R351-E869 IonicContact NH1-OE2 3.67Å; R351-W874 WeakPolarHBondContact O-CB 3.45Å
352	Q	82.6	Confident	83.4	Confident	70 Å²	70	63.9 Å²	63.9	33%	0.327	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	145.4	-176.4	-151.3	-179.5	23.2	0	0	112.6	I354 V366 W874 S876	Q352-I354 HydrophobicContact CG-CG1 4.24Å; Q352-V366 HydrophobicContact CB-CB 3.87Å; Q352-V366 HydrophobicContact CB-CG2 3.92Å; Q352-V366 PolarHBondContact N-O 3.12Å; Q352-V366 PolarHBondContact O-N 3.36Å; Q352-W874 CarbonylContact C-O 3.59Å; Q352-W874 WeakPolarHBondContact CA-O 3.35Å; Q352-W874 WeakPolarHBondContact CG-O 3.36Å; Q352-S876 PolarHBondContact NE2-OG 3.17Å
353	L	86.7	Confident	84	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	139.8	159.8	-56	-174.7	0	0	0	109	I350 L363 G364 I365 C391 L394 W874 I875 S876	I350-L353 HydrophobicContact CG2-CD2 4.39Å; L353-L363 HydrophobicContact CB-CD1 4.23Å; L353-L363 HydrophobicContact CD2-CD2 4.32Å; L353-G364 CarbonylContact C-O 3.55Å; L353-G364 WeakPolarHBondContact CA-O 3.07Å; L353-I365 HydrophobicContact CD2-CB 4.36Å; L353-I365 HydrophobicContact CD2-CG1 3.99Å; L353-I365 HydrophobicContact CD2-CG2 3.97Å; L353-C391 HydrophobicContact CD1-CB 4.22Å; L353-L394 HydrophobicContact CD1-CD1 4.23Å; L353-L394 HydrophobicContact CD2-CD1 3.96Å; L353-W874 HydrophobicContact CD1-CH2 3.61Å; L353-W874 HydrophobicContact CD1-CZ2 3.95Å; L353-W874 HydrophobicContact CD1-CZ3 4.08Å; L353-W874 HydrophobicContact CD2-CH2 4.18Å; L353-W874 HydrophobicContact CD2-CZ3 3.92Å; L353-W874 HydrophobicContact CG-CE3 4.05Å; L353-W874 HydrophobicContact CG-CH2 3.66Å; L353-W874 HydrophobicContact CG-CZ2 4.24Å; L353-W874 HydrophobicContact CG-CZ3 3.57Å; L353-W874 PolarHBondContact N-O 2.9Å; L353-I875 HydrophobicContact CB-CG1 4.33Å; L353-I875 HydrophobicContact CB-CG2 4.46Å; L353-I875 HydrophobicContact CD1-CD1 4.12Å; L353-I875 HydrophobicContact CD1-CG1 4.18Å; L353-I875 HydrophobicContact CG-CG1 4.5Å; L353-S876 PolarHBondContact O-N 3.25Å; L353-S876 PolarHBondContact O-OG 3.41Å
354	I	85.4	Confident	84.1	Confident	12 Å²	12	53.4 Å²	53.4	6%	0.062	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	99.6	-177.1	-48.1	178.9	0	0	0	108.3	Q352 L363 G364 V366 D878	Q352-I354 HydrophobicContact CG-CG1 4.24Å; I354-L363 CarbonylContact O-C 3.49Å; I354-L363 WeakPolarHBondContact O-CA 3.47Å; I354-G364 PolarHBondContact N-O 3.43Å; I354-G364 PolarHBondContact O-N 3.09Å; I354-V366 HydrophobicContact CD1-CG2 3.8Å; I354-V366 HydrophobicContact CG1-CG2 4.38Å; I354-D878 HydrophobicContact CG2-CB 4.07Å; I354-D878 VanDerWaalsContact CG2-CG 3.45Å; I354-D878 WeakPolarHBondContact CG2-OD1 3.35Å
355	K	84.9	Confident	84.2	Confident	34 Å²	34	50.3 Å²	50.3	15%	0.148	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	127	177.9	-66.5	178	176.7	-172.7	0	109.3	L363 E388 I875 S876 V877 D878	K355-L363 HydrophobicContact CG-CD1 3.79Å; K355-E388 WeakPolarHBondContact CE-OE1 3.15Å; K355-E388 VanDerWaalsContact CE-OE2 3.29Å; K355-E388 WeakPolarHBondContact CE-OE2 3.38Å; K355-E388 IonicContact NZ-OE1 2.71Å; K355-E388 PolarHBondContact NZ-OE1 2.69Å; K355-E388 IonicContact NZ-OE2 3.75Å; K355-E388 PolarHBondContact NZ-OE2 3.12Å; K355-I875 HydrophobicContact CD-CG2 4.11Å; K355-I875 HydrophobicContact CG-CG2 4.4Å; K355-S876 PolarHBondContact N-O 3.5Å; K355-V877 HydrophobicContact CB-CG2 4.35Å; K355-V877 CarbonylContact O-C 3.54Å; K355-V877 WeakPolarHBondContact O-CA 3.42Å; K355-D878 PolarHBondContact O-N 2.95Å
356	S	80.8	Confident	84.1	Confident	17 Å²	17	50.3 Å²	50.3	12%	0.119	24%	0.236	C	C	.	.			trans	-81.1	131.9	175.6	-172.8	0	0	0	0	111.4	V359 K362	S356-V359 PolarHBondContact OG-N 3.23Å; S356-K362 PolarHBondContact N-O 3.31Å
357	Q	73.6	Confident	84.1	Confident	114 Å²	114	48 Å²	48	53%	0.533	22%	0.222	S	C	.	.	S	Bend	trans	-69.7	-51.5	171.4	-62.4	-172.2	0.2	0	0	111.5	V359 V877	Q357-V359 VanDerWaalsContact C-N 3.25Å; Q357-V359 PolarHBondContact O-N 2.75Å; Q357-V877 HydrophobicContact CG-CG1 3.32Å
358	R	79.9	Confident	84.1	Confident	161 Å²	161	48.4 Å²	48.4	61%	0.608	22%	0.223	S	C	*	.	S	Bend	trans	-60.1	-31.6	-178.6	-68.8	-170.1	-178.6	167.2	10.3	113.9	D880	R358-D880 VanDerWaalsContact CZ-CG 3.44Å; R358-D880 IonicContact CZ-OD1 3.68Å; R358-D880 IonicContact CZ-OD2 2.82Å; R358-D880 VanDerWaalsContact NE-CG 3.33Å; R358-D880 IonicContact NE-OD1 2.73Å; R358-D880 PolarHBondContact NE-OD1 2.93Å; R358-D880 IonicContact NE-OD2 3.31Å; R358-D880 PolarHBondContact NE-OD2 3Å; R358-D880 IonicContact NH1-OD1 3.9Å; R358-D880 IonicContact NH2-OD1 3.68Å; R358-D880 PolarHBondContact NH2-OD1 3.24Å; R358-D880 IonicContact NH2-OD2 3.59Å; R358-D880 PolarHBondContact NH2-OD2 2.88Å
359	V	81.5	Confident	83.5	Confident	56 Å²	56	51.5 Å²	51.5	34%	0.339	23%	0.233	S	C	.	.	S	Bend	trans	-130.5	85.9	-173.4	-175.2	0	0	0	0	108.2	S356 Q357 N361 K362	S356-V359 PolarHBondContact OG-N 3.23Å; Q357-V359 VanDerWaalsContact C-N 3.25Å; Q357-V359 PolarHBondContact O-N 2.75Å; V359-N361 VanDerWaalsContact CG1-OD1 3.26Å; V359-N361 WeakPolarHBondContact CG1-OD1 3.37Å; V359-N361 PolarHBondContact O-N 2.99Å; V359-K362 HydrophobicContact CB-CB 3.82Å; V359-K362 HydrophobicContact CB-CD 4.5Å; V359-K362 HydrophobicContact CG1-CB 3.6Å; V359-K362 WeakPolarHBondContact O-CB 3.26Å; V359-K362 PolarHBondContact O-N 2.96Å
360	Q	77	Confident	82.7	Confident	140 Å²	140	52 Å²	52	65%	0.654	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-20.4	-170.6	-63.7	-179.7	-13.3	0	0	115	A384 R387	Q360-A384 HydrophobicContact CB-CB 3.86Å; Q360-A384 WeakPolarHBondContact O-CB 3.37Å; Q360-R387 VanDerWaalsContact O-CD 3.22Å; Q360-R387 WeakPolarHBondContact O-CD 3.48Å; Q360-R387 PolarHBondContact O-NE 3.28Å; Q360-R387 PolarHBondContact O-NH1 2.97Å
361	N	86.1	Confident	81.1	Confident	47 Å²	47	60.7 Å²	60.7	25%	0.251	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	6.9	175	66	-35.1	0	0	0	114.2	V359 I380 F381	V359-N361 VanDerWaalsContact CG1-OD1 3.26Å; V359-N361 WeakPolarHBondContact CG1-OD1 3.37Å; V359-N361 PolarHBondContact O-N 2.99Å; N361-I380 VanDerWaalsContact ND2-CG2 3.34Å; N361-I380 WeakPolarHBondContact ND2-CG2 3.38Å; N361-F381 PolarHBondContact ND2-O 3.03Å; N361-F381 PolarHBondContact O-N 3.11Å
362	K	88.2	Confident	79.8	Confident	22 Å²	22	63.6 Å²	63.6	10%	0.096	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	139.1	176.6	175.9	174.8	167.1	162.8	0	111.6	D303 S356 V359 D378 F379 I380	D303-K362 IonicContact OD2-NZ 2.71Å; D303-K362 PolarHBondContact OD2-NZ 3.38Å; S356-K362 PolarHBondContact N-O 3.31Å; V359-K362 HydrophobicContact CB-CB 3.82Å; V359-K362 HydrophobicContact CB-CD 4.5Å; V359-K362 HydrophobicContact CG1-CB 3.6Å; V359-K362 WeakPolarHBondContact O-CB 3.26Å; V359-K362 PolarHBondContact O-N 2.96Å; K362-D378 VanDerWaalsContact CE-CG 3.47Å; K362-D378 WeakPolarHBondContact CE-OD2 3.08Å; K362-D378 IonicContact NZ-OD2 2.72Å; K362-D378 PolarHBondContact NZ-OD2 3.06Å; K362-F379 CarbonylContact C-O 3.53Å; K362-F379 WeakPolarHBondContact CA-O 3.36Å; K362-I380 HydrophobicContact CB-CG1 4.4Å; K362-I380 HydrophobicContact CG-CG1 4.48Å
363	L	88.9	Confident	79	Confident	0 Å²	0	66 Å²	66	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	120.8	177.8	-166.3	71	0	0	0	110.1	L353 I354 K355 I365 F379 F381 R387 F390	L353-L363 HydrophobicContact CB-CD1 4.23Å; L353-L363 HydrophobicContact CD2-CD2 4.32Å; I354-L363 CarbonylContact O-C 3.49Å; I354-L363 WeakPolarHBondContact O-CA 3.47Å; K355-L363 HydrophobicContact CG-CD1 3.79Å; L363-I365 HydrophobicContact CD2-CD1 4.45Å; L363-I365 HydrophobicContact CD2-CG1 4.17Å; L363-I365 HydrophobicContact CG-CG1 4.37Å; L363-F379 PolarHBondContact N-O 2.87Å; L363-F379 PolarHBondContact O-N 2.84Å; L363-F381 HydrophobicContact CB-CD2 4.4Å; L363-F381 HydrophobicContact CB-CE2 3.87Å; L363-F381 HydrophobicContact CD2-CE2 4.08Å; L363-F381 HydrophobicContact CD2-CZ 4.33Å; L363-R387 HydrophobicContact CB-CG 4.11Å; L363-R387 HydrophobicContact CD1-CG 4.35Å; L363-F390 HydrophobicContact CD2-CD1 3.66Å; L363-F390 HydrophobicContact CD2-CE1 3.81Å
364	G	88.2	Confident	78.7	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	132	161.7	0	0	0	0	0	110	L353 I354 D378	L353-G364 CarbonylContact C-O 3.55Å; L353-G364 WeakPolarHBondContact CA-O 3.07Å; I354-G364 PolarHBondContact N-O 3.43Å; I354-G364 PolarHBondContact O-N 3.09Å; G364-D378 VanDerWaalsContact CA-OD1 3.23Å; G364-D378 WeakPolarHBondContact CA-OD1 3.4Å
365	I	89.5	Confident	78.6	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.4	170.6	-50.8	178.9	0	0	0	108	L320 I350 L353 L363 F367 R376 K377 F379 F390	L320-I365 HydrophobicContact CD1-CD1 4.28Å; I350-I365 HydrophobicContact CG2-CG2 3.66Å; L353-I365 HydrophobicContact CD2-CB 4.36Å; L353-I365 HydrophobicContact CD2-CG1 3.99Å; L353-I365 HydrophobicContact CD2-CG2 3.97Å; L363-I365 HydrophobicContact CD2-CD1 4.45Å; L363-I365 HydrophobicContact CD2-CG1 4.17Å; L363-I365 HydrophobicContact CG-CG1 4.37Å; I365-F367 HydrophobicContact CB-CD2 4.46Å; I365-F367 HydrophobicContact CB-CE2 3.75Å; I365-F367 HydrophobicContact CB-CZ 3.95Å; I365-F367 HydrophobicContact CD1-CZ 4.37Å; I365-F367 HydrophobicContact CG2-CD1 4.28Å; I365-F367 HydrophobicContact CG2-CD2 4.12Å; I365-F367 HydrophobicContact CG2-CE1 3.76Å; I365-F367 HydrophobicContact CG2-CE2 3.55Å; I365-F367 HydrophobicContact CG2-CG 4.47Å; I365-F367 HydrophobicContact CG2-CZ 3.37Å; I365-R376 CarbonylContact O-C 3.51Å; I365-R376 WeakPolarHBondContact O-CA 3.45Å; I365-K377 PolarHBondContact N-O 2.81Å; I365-K377 PolarHBondContact O-N 3.03Å; I365-F379 HydrophobicContact CB-CE2 4.45Å; I365-F379 HydrophobicContact CD1-CD2 3.68Å; I365-F379 HydrophobicContact CD1-CE2 3.84Å; I365-F379 HydrophobicContact CG1-CD2 3.98Å; I365-F379 HydrophobicContact CG1-CE2 4.28Å; I365-F390 HydrophobicContact CD1-CE1 3.56Å; I365-F390 HydrophobicContact CD1-CZ 3.76Å
366	V	86.4	Confident	78.7	Confident	16 Å²	16	76.9 Å²	76.9	10%	0.097	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	109.9	178.9	-174.9	0	0	0	0	109.2	R351 Q352 I354 R376	R351-V366 HydrophobicContact CB-CG1 4.47Å; R351-V366 PolarHBondContact N-O 2.99Å; Q352-V366 HydrophobicContact CB-CB 3.87Å; Q352-V366 HydrophobicContact CB-CG2 3.92Å; Q352-V366 PolarHBondContact N-O 3.12Å; Q352-V366 PolarHBondContact O-N 3.36Å; I354-V366 HydrophobicContact CD1-CG2 3.8Å; I354-V366 HydrophobicContact CG1-CG2 4.38Å; V366-R376 HydrophobicContact CG2-CB 4.22Å; V366-R376 HydrophobicContact CG2-CG 4.3Å
367	F	86.3	Confident	79	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141.4	178.3	-61	-81.1	0	0	0	111.3	L329 V331 F345 K349 I350 I365 S374 Q375 K377 F379	L329-F367 HydrophobicContact CD2-CE1 3.91Å; L329-F367 HydrophobicContact CD2-CZ 4.06Å; V331-F367 HydrophobicContact CG2-CZ 4.13Å; F345-F367 HydrophobicContact CB-CD1 3.98Å; F345-F367 HydrophobicContact CB-CE1 4.01Å; F345-F367 HydrophobicContact CD1-CB 4.01Å; F345-F367 AromaticContact CD1-CD1 3.31Å; F345-F367 HydrophobicContact CD1-CD1 3.31Å; F345-F367 AromaticContact CD1-CE1 3.98Å; F345-F367 HydrophobicContact CD1-CE1 3.98Å; F345-F367 AromaticContact CD1-CG 3.9Å; F345-F367 HydrophobicContact CD1-CG 3.9Å; F345-F367 AromaticContact CD2-CD1 3.66Å; F345-F367 HydrophobicContact CD2-CD1 3.66Å; F345-F367 AromaticContact CD2-CE1 3.41Å; F345-F367 HydrophobicContact CD2-CE1 3.41Å; F345-F367 VanDerWaalsContact CD2-CE1 3.41Å; F345-F367 HydrophobicContact CD2-CG 4.49Å; F345-F367 HydrophobicContact CD2-CZ 4.11Å; F345-F367 HydrophobicContact CE1-CB 3.68Å; F345-F367 AromaticContact CE1-CD1 3.57Å; F345-F367 HydrophobicContact CE1-CD1 3.57Å; F345-F367 HydrophobicContact CE1-CE1 4.3Å; F345-F367 AromaticContact CE1-CG 3.69Å; F345-F367 HydrophobicContact CE1-CG 3.69Å; F345-F367 AromaticContact CE2-CD1 3.9Å; F345-F367 HydrophobicContact CE2-CD1 3.9Å; F345-F367 AromaticContact CE2-CE1 3.78Å; F345-F367 HydrophobicContact CE2-CE1 3.78Å; F345-F367 HydrophobicContact CE2-CG 4.31Å; F345-F367 HydrophobicContact CE2-CZ 4.12Å; F345-F367 AromaticContact CG-CD1 3.35Å; F345-F367 HydrophobicContact CG-CD1 3.35Å; F345-F367 AromaticContact CG-CE1 3.51Å; F345-F367 HydrophobicContact CG-CE1 3.51Å; F345-F367 HydrophobicContact CG-CG 4.3Å; F345-F367 HydrophobicContact CZ-CB 4.27Å; F345-F367 AromaticContact CZ-CD1 3.86Å; F345-F367 HydrophobicContact CZ-CD1 3.86Å; F345-F367 HydrophobicContact CZ-CD2 4.34Å; F345-F367 HydrophobicContact CZ-CE1 4.21Å; F345-F367 AromaticContact CZ-CG 3.9Å; F345-F367 HydrophobicContact CZ-CG 3.9Å; K349-F367 CarbonylContact O-C 3.55Å; K349-F367 WeakPolarHBondContact O-CA 3.34Å; I350-F367 HydrophobicContact CG1-CE1 4.48Å; I365-F367 HydrophobicContact CB-CD2 4.46Å; I365-F367 HydrophobicContact CB-CE2 3.75Å; I365-F367 HydrophobicContact CB-CZ 3.95Å; I365-F367 HydrophobicContact CD1-CZ 4.37Å; I365-F367 HydrophobicContact CG2-CD1 4.28Å; I365-F367 HydrophobicContact CG2-CD2 4.12Å; I365-F367 HydrophobicContact CG2-CE1 3.76Å; I365-F367 HydrophobicContact CG2-CE2 3.55Å; I365-F367 HydrophobicContact CG2-CG 4.47Å; I365-F367 HydrophobicContact CG2-CZ 3.37Å; F367-S374 CarbonylContact O-C 3.51Å; F367-S374 VanDerWaalsContact O-CA 3.24Å; F367-S374 WeakPolarHBondContact O-CA 3.5Å; F367-Q375 PolarHBondContact N-O 3.06Å; F367-Q375 PolarHBondContact O-N 3.2Å; F367-K377 HydrophobicContact CD2-CD 4.26Å; F367-K377 HydrophobicContact CD2-CG 4.41Å; F367-K377 HydrophobicContact CE2-CB 4.27Å; F367-K377 HydrophobicContact CE2-CD 3.97Å; F367-K377 HydrophobicContact CE2-CG 4.33Å; F367-F379 HydrophobicContact CE2-CE2 4.34Å
368	E	82.6	Confident	79.7	Confident	48 Å²	48	72.8 Å²	72.8	22%	0.224	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	130.5	165	-173.7	166.5	-176.9	0	0	109.7	K349 R351	K349-E368 PolarHBondContact O-N 3.13Å; R351-E368 HydrophobicContact CG-CB 4.12Å; R351-E368 IonicContact CZ-OE2 2.69Å; R351-E368 IonicContact NE-OE2 2.72Å; R351-E368 PolarHBondContact NE-OE2 3.41Å; R351-E368 IonicContact NH2-OE1 2.73Å; R351-E368 IonicContact NH2-OE2 2.65Å; R351-E368 PolarHBondContact NH2-OE2 3.49Å
369	K	71.3	Confident	80.2	Confident	149 Å²	149	65.1 Å²	65.1	65%	0.648	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	-43.4	-177.7	-168.9	-177.2	177.9	-168.7	0	112.4	K373	K369-K373 PolarHBondContact N-O 2.84Å
370	E	69.9	Low	80.5	Confident	99 Å²	99	64.6 Å²	64.6	46%	0.463	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	162.9	173.4	-67	165.6	-154.1	0	0	106.7	D372 K373	E370-D372 PolarHBondContact O-N 2.91Å; E370-K373 HydrophobicContact CB-CB 4.3Å; E370-K373 HydrophobicContact CB-CD 4.4Å; E370-K373 PolarHBondContact O-N 3.25Å; E370-K373 WeakPolarHBondContact OE2-CD 3.31Å; E370-K373 WeakPolarHBondContact OE2-CE 3.41Å; E370-K373 IonicContact OE2-NZ 2.65Å; E370-K373 PolarHBondContact OE2-NZ 3.39Å
371	K	53	Low	81.1	Confident	184 Å²	184	58.1 Å²	58.1	80%	0.8	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	132.7	169.5	-73.7	-170.3	174.3	-172.9	0	109.3	K373	K371-K373 PolarHBondContact O-N 3.23Å
372	D	53.6	Low	81.2	Confident	167 Å²	167	60 Å²	60	89%	0.893	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	14.7	-177.6	-46.6	-40.3	0	0	0	116.2	E370	E370-D372 PolarHBondContact O-N 2.91Å
373	K	66.1	Low	81	Confident	121 Å²	121	61 Å²	61	53%	0.526	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	108.4	173.3	-61.9	179.8	-162.4	155.9	0	112.8	K369 E370 K371	K369-K373 PolarHBondContact N-O 2.84Å; E370-K373 HydrophobicContact CB-CB 4.3Å; E370-K373 HydrophobicContact CB-CD 4.4Å; E370-K373 PolarHBondContact O-N 3.25Å; E370-K373 WeakPolarHBondContact OE2-CD 3.31Å; E370-K373 WeakPolarHBondContact OE2-CE 3.41Å; E370-K373 IonicContact OE2-NZ 2.65Å; E370-K373 PolarHBondContact OE2-NZ 3.39Å; K371-K373 PolarHBondContact O-N 3.23Å
374	S	78.8	Confident	80.5	Confident	90 Å²	90	62.3 Å²	62.3	63%	0.629	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	156.9	172.9	61.7	0	0	0	0	112.9	F367	F367-S374 CarbonylContact O-C 3.51Å; F367-S374 VanDerWaalsContact O-CA 3.24Å; F367-S374 WeakPolarHBondContact O-CA 3.5Å
375	Q	84	Confident	79.7	Confident	84 Å²	84	66 Å²	66	39%	0.393	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	108.9	173.1	-178.3	176.3	50.8	0	0	109.9	F367 K377	F367-Q375 PolarHBondContact N-O 3.06Å; F367-Q375 PolarHBondContact O-N 3.2Å; Q375-K377 HydrophobicContact CG-CG 4.29Å
376	R	85.9	Confident	79.4	Confident	99 Å²	99	70.1 Å²	70.1	37%	0.374	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	131.2	166.1	-175.3	170.8	167.5	161.4	-3.9	109.3	I365 V366 D378 D878	I365-R376 CarbonylContact O-C 3.51Å; I365-R376 WeakPolarHBondContact O-CA 3.45Å; V366-R376 HydrophobicContact CG2-CB 4.22Å; V366-R376 HydrophobicContact CG2-CG 4.3Å; R376-D378 IonicContact CZ-OD1 3.9Å; R376-D378 IonicContact NE-OD1 2.63Å; R376-D378 PolarHBondContact NE-OD1 2.85Å; R376-D378 IonicContact NE-OD2 3.1Å; R376-D378 IonicContact NH2-OD1 3.84Å; R376-D378 PolarHBondContact NH2-OD1 3.16Å; R376-D378 IonicContact NH2-OD2 2.73Å; R376-D378 PolarHBondContact NH2-OD2 2.82Å; R376-D878 IonicContact CZ-OD2 3.3Å; R376-D878 IonicContact NH1-OD1 3.67Å; R376-D878 PolarHBondContact NH1-OD1 2.91Å; R376-D878 IonicContact NH1-OD2 3.49Å; R376-D878 IonicContact NH2-OD1 2.82Å; R376-D878 IonicContact NH2-OD2 3.4Å; R376-D878 PolarHBondContact NH2-OD2 2.95Å
377	K	87.6	Confident	79.3	Confident	33 Å²	33	70.5 Å²	70.5	14%	0.143	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.5	166.6	-66.5	-179.3	-173.6	167	0	108.3	L302 I365 F367 Q375 F379	L302-K377 HydrophobicContact CD1-CB 4.12Å; I365-K377 PolarHBondContact N-O 2.81Å; I365-K377 PolarHBondContact O-N 3.03Å; F367-K377 HydrophobicContact CD2-CD 4.26Å; F367-K377 HydrophobicContact CD2-CG 4.41Å; F367-K377 HydrophobicContact CE2-CB 4.27Å; F367-K377 HydrophobicContact CE2-CD 3.97Å; F367-K377 HydrophobicContact CE2-CG 4.33Å; Q375-K377 HydrophobicContact CG-CG 4.29Å; K377-F379 HydrophobicContact CB-CD2 4.29Å; K377-F379 HydrophobicContact CB-CE2 3.55Å; K377-F379 HydrophobicContact CB-CZ 3.78Å; K377-F379 HydrophobicContact CD-CE2 4.34Å; K377-F379 HydrophobicContact CD-CZ 3.92Å; K377-F379 HydrophobicContact CG-CZ 4.5Å
378	D	88.7	Confident	79	Confident	13 Å²	13	72.7 Å²	72.7	7%	0.07	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	120.7	179	-80.4	6.7	0	0	0	110	L302 D303 K362 G364 R376	L302-D378 WeakPolarHBondContact CD1-O 3.29Å; D303-D378 HydrophobicContact CB-CB 3.94Å; D303-D378 PolarHBondContact N-O 2.88Å; K362-D378 VanDerWaalsContact CE-CG 3.47Å; K362-D378 WeakPolarHBondContact CE-OD2 3.08Å; K362-D378 IonicContact NZ-OD2 2.72Å; K362-D378 PolarHBondContact NZ-OD2 3.06Å; G364-D378 VanDerWaalsContact CA-OD1 3.23Å; G364-D378 WeakPolarHBondContact CA-OD1 3.4Å; R376-D378 IonicContact CZ-OD1 3.9Å; R376-D378 IonicContact NE-OD1 2.63Å; R376-D378 PolarHBondContact NE-OD1 2.85Å; R376-D378 IonicContact NE-OD2 3.1Å; R376-D378 IonicContact NH2-OD1 3.84Å; R376-D378 PolarHBondContact NH2-OD1 3.16Å; R376-D378 IonicContact NH2-OD2 2.73Å; R376-D378 PolarHBondContact NH2-OD2 2.82Å
379	F	90.8	Very high	78.9	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.4	-179.1	-63.5	-75.7	0	0	0	111.6	V300 K301 L302 Y318 L320 V331 K362 L363 I365 F367 K377 F381	V300-F379 HydrophobicContact CB-CB 4.31Å; V300-F379 HydrophobicContact CB-CD1 4.49Å; V300-F379 HydrophobicContact CG2-CB 4.13Å; V300-F379 HydrophobicContact CG2-CD1 3.51Å; V300-F379 HydrophobicContact CG2-CE1 4.22Å; V300-F379 HydrophobicContact CG2-CG 4.1Å; K301-F379 CarbonylContact O-C 3.47Å; K301-F379 WeakPolarHBondContact O-CA 3.46Å; L302-F379 HydrophobicContact CD1-CD1 3.94Å; L302-F379 HydrophobicContact CD1-CE1 3.66Å; L302-F379 HydrophobicContact CD1-CZ 4.16Å; Y318-F379 HydrophobicContact CD1-CE1 4.45Å; Y318-F379 HydrophobicContact CD2-CE1 4.48Å; Y318-F379 HydrophobicContact CG-CE1 4.15Å; L320-F379 HydrophobicContact CD1-CB 4.46Å; L320-F379 HydrophobicContact CD1-CD1 4.46Å; L320-F379 HydrophobicContact CD1-CD2 4.16Å; L320-F379 HydrophobicContact CD1-CE2 4.49Å; L320-F379 HydrophobicContact CD1-CG 4.13Å; L320-F379 HydrophobicContact CD2-CE1 4.1Å; L320-F379 HydrophobicContact CD2-CE2 4.2Å; L320-F379 HydrophobicContact CD2-CZ 3.91Å; V331-F379 HydrophobicContact CG1-CZ 4.16Å; K362-F379 CarbonylContact C-O 3.53Å; K362-F379 WeakPolarHBondContact CA-O 3.36Å; L363-F379 PolarHBondContact N-O 2.87Å; L363-F379 PolarHBondContact O-N 2.84Å; I365-F379 HydrophobicContact CB-CE2 4.45Å; I365-F379 HydrophobicContact CD1-CD2 3.68Å; I365-F379 HydrophobicContact CD1-CE2 3.84Å; I365-F379 HydrophobicContact CG1-CD2 3.98Å; I365-F379 HydrophobicContact CG1-CE2 4.28Å; F367-F379 HydrophobicContact CE2-CE2 4.34Å; K377-F379 HydrophobicContact CB-CD2 4.29Å; K377-F379 HydrophobicContact CB-CE2 3.55Å; K377-F379 HydrophobicContact CB-CZ 3.78Å; K377-F379 HydrophobicContact CD-CE2 4.34Å; K377-F379 HydrophobicContact CD-CZ 3.92Å; K377-F379 HydrophobicContact CG-CZ 4.5Å; F379-F381 HydrophobicContact CB-CE2 4.16Å
380	I	88.1	Confident	79.6	Confident	44 Å²	44	63.4 Å²	63.4	23%	0.226	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.1	175.5	-56.9	174.1	0	0	0	108.5	V300 K301 D303 N361 K362	V300-I380 WeakPolarHBondContact CA-O 3.4Å; V300-I380 WeakPolarHBondContact CB-O 3.26Å; K301-I380 HydrophobicContact CB-CB 4.48Å; K301-I380 PolarHBondContact N-O 2.91Å; K301-I380 PolarHBondContact O-N 2.88Å; D303-I380 HydrophobicContact CB-CD1 3.95Å; D303-I380 HydrophobicContact CB-CG1 4.12Å; N361-I380 VanDerWaalsContact ND2-CG2 3.34Å; N361-I380 WeakPolarHBondContact ND2-CG2 3.38Å; K362-I380 HydrophobicContact CB-CG1 4.4Å; K362-I380 HydrophobicContact CG-CG1 4.48Å
381	F	90.1	Very high	80.2	Confident	5 Å²	5	58.8 Å²	58.8	2%	0.022	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	162.5	178.2	-71.6	-105.5	0	0	0	111.5	F298 V300 L320 N361 L363 F379 S383 R387 F390	F298-F381 HydrophobicContact CB-CD1 4.45Å; F298-F381 HydrophobicContact CB-CE1 4.06Å; F298-F381 HydrophobicContact CD1-CD1 4.12Å; F298-F381 AromaticContact CD1-CE1 3.98Å; F298-F381 HydrophobicContact CD1-CE1 3.98Å; F298-F381 HydrophobicContact CG-CE1 4.15Å; V300-F381 HydrophobicContact CG1-CD1 3.7Å; V300-F381 HydrophobicContact CG1-CD2 4.13Å; V300-F381 HydrophobicContact CG1-CE1 3.73Å; V300-F381 HydrophobicContact CG1-CE2 4.14Å; V300-F381 HydrophobicContact CG1-CG 3.9Å; V300-F381 HydrophobicContact CG1-CZ 3.94Å; L320-F381 HydrophobicContact CD1-CE1 4.45Å; L320-F381 HydrophobicContact CD1-CZ 3.83Å; N361-F381 PolarHBondContact ND2-O 3.03Å; N361-F381 PolarHBondContact O-N 3.11Å; L363-F381 HydrophobicContact CB-CD2 4.4Å; L363-F381 HydrophobicContact CB-CE2 3.87Å; L363-F381 HydrophobicContact CD2-CE2 4.08Å; L363-F381 HydrophobicContact CD2-CZ 4.33Å; F379-F381 HydrophobicContact CB-CE2 4.16Å; F381-S383 PolarHBondContact O-N 2.75Å; F381-R387 HydrophobicContact CB-CB 4.01Å; F381-R387 HydrophobicContact CD1-CB 4.34Å; F381-R387 HydrophobicContact CD2-CB 3.91Å; F381-R387 HydrophobicContact CD2-CG 4.09Å; F381-R387 HydrophobicContact CE2-CG 4.41Å; F381-R387 HydrophobicContact CG-CB 3.82Å; F381-R387 HydrophobicContact CG-CG 4.5Å; F381-F390 HydrophobicContact CD1-CB 4.47Å; F381-F390 HydrophobicContact CE1-CB 3.54Å; F381-F390 HydrophobicContact CE1-CD1 4.01Å; F381-F390 HydrophobicContact CE1-CD2 4.04Å; F381-F390 AromaticContact CE1-CG 3.59Å; F381-F390 HydrophobicContact CE1-CG 3.59Å; F381-F390 HydrophobicContact CE2-CD1 4.42Å; F381-F390 HydrophobicContact CZ-CB 3.9Å; F381-F390 AromaticContact CZ-CD1 3.46Å; F381-F390 HydrophobicContact CZ-CD1 3.46Å; F381-F390 VanDerWaalsContact CZ-CD1 3.46Å; F381-F390 HydrophobicContact CZ-CD2 4.13Å; F381-F390 AromaticContact CZ-CE1 3.94Å; F381-F390 HydrophobicContact CZ-CE1 3.94Å; F381-F390 AromaticContact CZ-CG 3.56Å; F381-F390 HydrophobicContact CZ-CG 3.56Å; F381-F390 HydrophobicContact CZ-CZ 4.45Å
382	A	87.4	Confident	81.5	Confident	85 Å²	85	51.4 Å²	51.4	70%	0.702	27%	0.271	S	S	*	.	S	Bend	trans	-63.9	-25.7	176	0	0	0	0	0	113.8
383	S	83.8	Confident	82.9	Confident	45 Å²	45	43.5 Å²	43.5	32%	0.315	23%	0.229	S	C	.	.			trans	-156.6	162.8	174.3	69.8	0	0	0	0	111.7	F381 K385 K386 R387	F381-S383 PolarHBondContact O-N 2.75Å; S383-K385 VanDerWaalsContact C-N 3.27Å; S383-K385 PolarHBondContact O-N 3.34Å; S383-K386 PolarHBondContact O-N 2.95Å; S383-K386 PolarHBondContact OG-N 3.27Å; S383-R387 PolarHBondContact O-N 2.86Å; S383-R387 VanDerWaalsContact O-N 3.12Å
384	A	77.6	Confident	83.7	Confident	27 Å²	27	37.7 Å²	37.7	22%	0.223	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-34.1	174.4	0	0	0	0	0	112.5	Q360 R387 E388	Q360-A384 HydrophobicContact CB-CB 3.86Å; Q360-A384 WeakPolarHBondContact O-CB 3.37Å; A384-R387 WeakPolarHBondContact O-CB 3.12Å; A384-R387 PolarHBondContact O-N 3.48Å; A384-R387 PolarHBondContact O-NE 3.47Å; A384-E388 PolarHBondContact O-N 3.25Å
385	K	72.4	Confident	83.6	Confident	78 Å²	78	33.7 Å²	33.7	34%	0.339	18%	0.175	S	C	.	.	H	α-helix	trans	-63.7	-46.5	174.6	-178.9	166.2	173.3	162.2	0	112.1	S383 R387 E388 A389 T440 L441 D442	S383-K385 VanDerWaalsContact C-N 3.27Å; S383-K385 PolarHBondContact O-N 3.34Å; K385-R387 VanDerWaalsContact C-N 3.29Å; K385-R387 PolarHBondContact O-N 2.98Å; K385-E388 PolarHBondContact O-N 3.43Å; K385-E388 VanDerWaalsContact O-N 3.13Å; K385-A389 PolarHBondContact O-N 3.06Å; K385-T440 WeakPolarHBondContact CE-O 3.3Å; K385-T440 PolarHBondContact NZ-O 2.82Å; K385-T440 PolarHBondContact NZ-OG1 3.25Å; K385-L441 VanDerWaalsContact CE-O 3.31Å; K385-L441 WeakPolarHBondContact CE-O 3.37Å; K385-L441 PolarHBondContact NZ-O 3.4Å; K385-D442 VanDerWaalsContact CE-CA 3.42Å; K385-D442 WeakPolarHBondContact CE-OD2 3.36Å; K385-D442 HydrophobicContact CG-CB 4.31Å
386	K	81.9	Confident	83.2	Confident	85 Å²	85	31.9 Å²	31.9	37%	0.37	17%	0.168	S	C	.	.	H	α-helix	trans	-66.4	-30	175.2	-71.3	-165.6	176	-167.8	0	113.1	F298 S383 F390	F298-K386 HydrophobicContact CD1-CB 4.35Å; F298-K386 HydrophobicContact CE1-CB 4.35Å; F298-K386 VanDerWaalsContact CE1-O 3.25Å; F298-K386 WeakPolarHBondContact CE1-O 3.28Å; S383-K386 PolarHBondContact O-N 2.95Å; S383-K386 PolarHBondContact OG-N 3.27Å; K386-F390 WeakPolarHBondContact O-CB 3.2Å; K386-F390 PolarHBondContact O-N 3.14Å; K386-F390 VanDerWaalsContact O-N 3.1Å
387	R	86.3	Confident	83	Confident	25 Å²	25	27.2 Å²	27.2	9%	0.094	15%	0.15	C	C	.	.	H	α-helix	trans	-65.7	-42.7	170	175.7	-139.1	52.8	163.3	-6.6	111.5	Q360 L363 F381 S383 A384 K385 F390 C391	Q360-R387 VanDerWaalsContact O-CD 3.22Å; Q360-R387 WeakPolarHBondContact O-CD 3.48Å; Q360-R387 PolarHBondContact O-NE 3.28Å; Q360-R387 PolarHBondContact O-NH1 2.97Å; L363-R387 HydrophobicContact CB-CG 4.11Å; L363-R387 HydrophobicContact CD1-CG 4.35Å; F381-R387 HydrophobicContact CB-CB 4.01Å; F381-R387 HydrophobicContact CD1-CB 4.34Å; F381-R387 HydrophobicContact CD2-CB 3.91Å; F381-R387 HydrophobicContact CD2-CG 4.09Å; F381-R387 HydrophobicContact CE2-CG 4.41Å; F381-R387 HydrophobicContact CG-CB 3.82Å; F381-R387 HydrophobicContact CG-CG 4.5Å; S383-R387 PolarHBondContact O-N 2.86Å; S383-R387 VanDerWaalsContact O-N 3.12Å; A384-R387 WeakPolarHBondContact O-CB 3.12Å; A384-R387 PolarHBondContact O-N 3.48Å; A384-R387 PolarHBondContact O-NE 3.47Å; K385-R387 VanDerWaalsContact C-N 3.29Å; K385-R387 PolarHBondContact O-N 2.98Å; R387-F390 PolarHBondContact O-N 3.44Å; R387-C391 PolarHBondContact O-N 3.03Å; R387-C391 PolarHBondContact O-SG 3.23Å
388	E	80.1	Confident	82.5	Confident	45 Å²	45	26.9 Å²	26.9	21%	0.21	15%	0.149	C	C	.	.	H	α-helix	trans	-66.9	-42.6	175.2	-70.2	-60.8	171.2	0	0	112.7	K355 A384 K385 F390 C391 Q392	K355-E388 WeakPolarHBondContact CE-OE1 3.15Å; K355-E388 VanDerWaalsContact CE-OE2 3.29Å; K355-E388 WeakPolarHBondContact CE-OE2 3.38Å; K355-E388 IonicContact NZ-OE1 2.71Å; K355-E388 PolarHBondContact NZ-OE1 2.69Å; K355-E388 IonicContact NZ-OE2 3.75Å; K355-E388 PolarHBondContact NZ-OE2 3.12Å; A384-E388 PolarHBondContact O-N 3.25Å; K385-E388 PolarHBondContact O-N 3.43Å; K385-E388 VanDerWaalsContact O-N 3.13Å; E388-F390 PolarHBondContact O-N 3.31Å; E388-C391 WeakPolarHBondContact O-CB 3.26Å; E388-C391 PolarHBondContact O-N 3.01Å; E388-Q392 WeakPolarHBondContact O-CG 3.31Å; E388-Q392 PolarHBondContact O-N 3.35Å
389	A	80.2	Confident	81.8	Confident	2 Å²	2	28.5 Å²	28.5	2%	0.017	16%	0.158	C	C	.	.	H	α-helix	trans	-56.1	-41	174.6	0	0	0	0	0	112.3	F298 K385 L393 D442 T445	F298-A389 HydrophobicContact CE1-CB 4.29Å; F298-A389 HydrophobicContact CZ-CB 4.35Å; K385-A389 PolarHBondContact O-N 3.06Å; A389-L393 WeakPolarHBondContact O-CB 3.15Å; A389-L393 VanDerWaalsContact O-CG 3.28Å; A389-L393 WeakPolarHBondContact O-CG 3.39Å; A389-L393 PolarHBondContact O-N 2.89Å; A389-D442 HydrophobicContact CB-CB 3.83Å; A389-T445 HydrophobicContact CB-CG2 3.67Å
390	F	85.8	Confident	81	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.9	-41.5	173.5	179.3	-94.7	0	0	0	113.1	F298 L320 V322 L329 L363 I365 F381 K386 R387 E388 L393 L394	F298-F390 HydrophobicContact CD1-CB 4.21Å; F298-F390 HydrophobicContact CD2-CB 4.47Å; F298-F390 AromaticContact CD2-CD2 3.67Å; F298-F390 HydrophobicContact CD2-CD2 3.67Å; F298-F390 HydrophobicContact CD2-CE2 4.48Å; F298-F390 HydrophobicContact CE1-CB 3.94Å; F298-F390 HydrophobicContact CE2-CB 4.22Å; F298-F390 AromaticContact CE2-CD2 3.88Å; F298-F390 HydrophobicContact CE2-CD2 3.88Å; F298-F390 HydrophobicContact CG-CB 4.48Å; F298-F390 HydrophobicContact CG-CD2 4.09Å; F298-F390 HydrophobicContact CZ-CB 3.95Å; F298-F390 HydrophobicContact CZ-CD2 4.46Å; L320-F390 HydrophobicContact CB-CD2 4.48Å; L320-F390 HydrophobicContact CB-CE2 3.7Å; L320-F390 HydrophobicContact CB-CZ 4.22Å; L320-F390 HydrophobicContact CD1-CE1 4.32Å; L320-F390 HydrophobicContact CD1-CE2 3.92Å; L320-F390 HydrophobicContact CD1-CZ 3.73Å; L320-F390 HydrophobicContact CG-CE2 4.44Å; V322-F390 HydrophobicContact CG2-CD2 3.69Å; V322-F390 HydrophobicContact CG2-CE2 3.51Å; V322-F390 HydrophobicContact CG2-CZ 4.48Å; L329-F390 HydrophobicContact CD1-CE2 3.93Å; L329-F390 HydrophobicContact CD1-CZ 4.02Å; L329-F390 HydrophobicContact CD2-CZ 4.01Å; L363-F390 HydrophobicContact CD2-CD1 3.66Å; L363-F390 HydrophobicContact CD2-CE1 3.81Å; I365-F390 HydrophobicContact CD1-CE1 3.56Å; I365-F390 HydrophobicContact CD1-CZ 3.76Å; F381-F390 HydrophobicContact CD1-CB 4.47Å; F381-F390 HydrophobicContact CE1-CB 3.54Å; F381-F390 HydrophobicContact CE1-CD1 4.01Å; F381-F390 HydrophobicContact CE1-CD2 4.04Å; F381-F390 AromaticContact CE1-CG 3.59Å; F381-F390 HydrophobicContact CE1-CG 3.59Å; F381-F390 HydrophobicContact CE2-CD1 4.42Å; F381-F390 HydrophobicContact CZ-CB 3.9Å; F381-F390 AromaticContact CZ-CD1 3.46Å; F381-F390 HydrophobicContact CZ-CD1 3.46Å; F381-F390 VanDerWaalsContact CZ-CD1 3.46Å; F381-F390 HydrophobicContact CZ-CD2 4.13Å; F381-F390 AromaticContact CZ-CE1 3.94Å; F381-F390 HydrophobicContact CZ-CE1 3.94Å; F381-F390 AromaticContact CZ-CG 3.56Å; F381-F390 HydrophobicContact CZ-CG 3.56Å; F381-F390 HydrophobicContact CZ-CZ 4.45Å; K386-F390 WeakPolarHBondContact O-CB 3.2Å; K386-F390 PolarHBondContact O-N 3.14Å; K386-F390 VanDerWaalsContact O-N 3.1Å; R387-F390 PolarHBondContact O-N 3.44Å; E388-F390 PolarHBondContact O-N 3.31Å; F390-L393 PolarHBondContact O-N 2.87Å; F390-L394 HydrophobicContact CD1-CD1 4.03Å; F390-L394 HydrophobicContact CD1-CG 4.48Å; F390-L394 HydrophobicContact CE1-CD1 3.32Å; F390-L394 HydrophobicContact CE1-CG 4.08Å; F390-L394 HydrophobicContact CE2-CD1 4.34Å; F390-L394 HydrophobicContact CE2-CG 4.4Å; F390-L394 HydrophobicContact CZ-CD1 3.51Å; F390-L394 HydrophobicContact CZ-CD2 4.44Å; F390-L394 HydrophobicContact CZ-CG 4.04Å; F390-L394 WeakPolarHBondContact O-CG 3.48Å; F390-L394 PolarHBondContact O-N 2.92Å
391	C	82.7	Confident	80.5	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.014	18%	0.18	C	C	.	.	H	α-helix	trans	-60.4	-48.1	174.1	-65.6	0	0	0	0	111.4	L353 R387 E388 L393 L394 Q395 I875	L353-C391 HydrophobicContact CD1-CB 4.22Å; R387-C391 PolarHBondContact O-N 3.03Å; R387-C391 PolarHBondContact O-SG 3.23Å; E388-C391 WeakPolarHBondContact O-CB 3.26Å; E388-C391 PolarHBondContact O-N 3.01Å; C391-L393 PolarHBondContact O-N 3.5Å; C391-L394 PolarHBondContact O-N 3.29Å; C391-Q395 WeakPolarHBondContact O-CB 3.32Å; C391-Q395 PolarHBondContact O-N 3.23Å; C391-I875 HydrophobicContact CB-CD1 4.49Å
392	Q	79	Confident	79.6	Confident	29 Å²	29	35.1 Å²	35.1	14%	0.136	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-40.6	179.6	-70.4	172.6	4	0	0	112.1	E388 Q395 L396 T445 N691	E388-Q392 WeakPolarHBondContact O-CG 3.31Å; E388-Q392 PolarHBondContact O-N 3.35Å; Q392-Q395 PolarHBondContact O-N 2.94Å; Q392-L396 WeakPolarHBondContact O-CB 3.37Å; Q392-L396 PolarHBondContact O-N 3.48Å; Q392-T445 HydrophobicContact CB-CG2 4.41Å; Q392-T445 VanDerWaalsContact OE1-CG2 3.28Å; Q392-N691 PolarHBondContact NE2-OD1 3.32Å
393	L	83.4	Confident	78.4	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-66.2	-40	175.5	-73.8	167.9	0	0	0	112.6	I293 Q296 F298 V322 V324 A389 F390 C391 M397 M444 I448	I293-L393 HydrophobicContact CG2-CD2 4.15Å; Q296-L393 HydrophobicContact CB-CD1 3.94Å; Q296-L393 HydrophobicContact CG-CD1 3.96Å; F298-L393 HydrophobicContact CE2-CD1 3.89Å; F298-L393 HydrophobicContact CZ-CD1 3.81Å; V322-L393 HydrophobicContact CB-CB 4.44Å; V322-L393 HydrophobicContact CG1-CB 4.12Å; V324-L393 HydrophobicContact CG2-CB 4.44Å; V324-L393 HydrophobicContact CG2-CD2 3.97Å; A389-L393 WeakPolarHBondContact O-CB 3.15Å; A389-L393 VanDerWaalsContact O-CG 3.28Å; A389-L393 WeakPolarHBondContact O-CG 3.39Å; A389-L393 PolarHBondContact O-N 2.89Å; F390-L393 PolarHBondContact O-N 2.87Å; C391-L393 PolarHBondContact O-N 3.5Å; L393-M397 VanDerWaalsContact O-CB 3.31Å; L393-M397 WeakPolarHBondContact O-CB 3.5Å; L393-M397 PolarHBondContact O-N 2.91Å; L393-M444 HydrophobicContact CD1-CB 4.36Å; L393-I448 HydrophobicContact CD2-CD1 4.15Å
394	L	83.8	Confident	77.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.5	-34.5	173.5	-68	-177.3	0	0	0	112.5	V322 L329 I350 L353 F390 C391 M397 K398 W874	V322-L394 HydrophobicContact CB-CD2 4.5Å; V322-L394 HydrophobicContact CG1-CD2 3.87Å; V322-L394 HydrophobicContact CG2-CD2 3.84Å; V322-L394 HydrophobicContact CG2-CG 4.29Å; L329-L394 HydrophobicContact CB-CD2 4.16Å; L329-L394 HydrophobicContact CD2-CD1 4.26Å; L329-L394 HydrophobicContact CD2-CD2 4.14Å; I350-L394 HydrophobicContact CD1-CD2 4.06Å; L353-L394 HydrophobicContact CD1-CD1 4.23Å; L353-L394 HydrophobicContact CD2-CD1 3.96Å; F390-L394 HydrophobicContact CD1-CD1 4.03Å; F390-L394 HydrophobicContact CD1-CG 4.48Å; F390-L394 HydrophobicContact CE1-CD1 3.32Å; F390-L394 HydrophobicContact CE1-CG 4.08Å; F390-L394 HydrophobicContact CE2-CD1 4.34Å; F390-L394 HydrophobicContact CE2-CG 4.4Å; F390-L394 HydrophobicContact CZ-CD1 3.51Å; F390-L394 HydrophobicContact CZ-CD2 4.44Å; F390-L394 HydrophobicContact CZ-CG 4.04Å; F390-L394 WeakPolarHBondContact O-CG 3.48Å; F390-L394 PolarHBondContact O-N 2.92Å; C391-L394 PolarHBondContact O-N 3.29Å; L394-M397 HydrophobicContact CD2-CE 3.58Å; L394-M397 HydrophobicContact CD2-SD 4.22Å; L394-M397 PolarHBondContact O-N 2.91Å; L394-K398 VanDerWaalsContact O-CB 3.31Å; L394-K398 WeakPolarHBondContact O-CB 3.46Å; L394-K398 PolarHBondContact O-N 2.82Å; L394-W874 HydrophobicContact CB-CH2 3.84Å; L394-W874 HydrophobicContact CB-CZ2 4.42Å; L394-W874 HydrophobicContact CD1-CH2 4.44Å
395	Q	76.6	Confident	76.6	Confident	5 Å²	5	45.9 Å²	45.9	2%	0.023	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-48.2	173.5	-174.9	62.3	65.9	0	0	110.4	C391 Q392 M397 K398 N399 M409 L871	C391-Q395 WeakPolarHBondContact O-CB 3.32Å; C391-Q395 PolarHBondContact O-N 3.23Å; Q392-Q395 PolarHBondContact O-N 2.94Å; Q395-M397 PolarHBondContact O-N 2.89Å; Q395-K398 PolarHBondContact O-N 3.15Å; Q395-N399 PolarHBondContact NE2-OD1 3.35Å; Q395-N399 WeakPolarHBondContact O-CB 3.46Å; Q395-N399 PolarHBondContact O-N 2.93Å; Q395-N399 PolarHBondContact O-OD1 2.97Å; Q395-N399 VanDerWaalsContact O-OD1 3.12Å; Q395-M409 HydrophobicContact CG-SD 3.95Å; Q395-L871 PolarHBondContact NE2-O 3.28Å; Q395-L871 PolarHBondContact OE1-O 2.97Å
396	L	75.1	Confident	76.6	Confident	46 Å²	46	44.5 Å²	44.5	24%	0.241	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-42.5	175.9	-177.3	61.9	0	0	0	112.1	I293 V324 Q392 K398 N399 K400 I448	I293-L396 HydrophobicContact CD1-CD2 3.47Å; I293-L396 VanDerWaalsContact CD1-CD2 3.47Å; V324-L396 HydrophobicContact CG1-CB 4.49Å; V324-L396 HydrophobicContact CG1-CD2 4.06Å; V324-L396 HydrophobicContact CG1-CG 3.93Å; Q392-L396 WeakPolarHBondContact O-CB 3.37Å; Q392-L396 PolarHBondContact O-N 3.48Å; L396-K398 VanDerWaalsContact C-N 3.34Å; L396-K398 PolarHBondContact O-N 2.95Å; L396-N399 PolarHBondContact O-N 2.84Å; L396-K400 WeakPolarHBondContact O-CB 3.37Å; L396-K400 PolarHBondContact O-N 3.16Å; L396-I448 HydrophobicContact CD2-CB 4.49Å; L396-I448 HydrophobicContact CD2-CD1 3.9Å; L396-I448 HydrophobicContact CD2-CG1 3.93Å; L396-I448 HydrophobicContact CD2-CG2 3.76Å
397	M	82.7	Confident	76.6	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-42.2	173.7	-176.8	-168.4	73.2	0	0	111.8	V322 V324 G327 R328 H347 I350 L393 L394 Q395 H401	V322-M397 HydrophobicContact CG1-SD 4.1Å; V324-M397 HydrophobicContact CG1-CB 4.39Å; V324-M397 HydrophobicContact CG2-CB 4.42Å; G327-M397 VanDerWaalsContact C-SD 3.55Å; R328-M397 PolarHBondContact N-SD 2.98Å; H347-M397 HydrophobicContact CB-CE 3.87Å; H347-M397 HydrophobicContact CB-CG 4.49Å; I350-M397 HydrophobicContact CD1-CE 3.73Å; L393-M397 VanDerWaalsContact O-CB 3.31Å; L393-M397 WeakPolarHBondContact O-CB 3.5Å; L393-M397 PolarHBondContact O-N 2.91Å; L394-M397 HydrophobicContact CD2-CE 3.58Å; L394-M397 HydrophobicContact CD2-SD 4.22Å; L394-M397 PolarHBondContact O-N 2.91Å; Q395-M397 PolarHBondContact O-N 2.89Å; M397-H401 PolarHBondContact O-CD2 3.04Å; M397-H401 VanDerWaalsContact O-CD2 3.31Å; M397-H401 PolarHBondContact O-N 3.1Å
398	K	76.9	Confident	76.5	Confident	26 Å²	26	41.1 Å²	41.1	11%	0.113	21%	0.209	C	C	.	.	H	α-helix	trans	-69.2	-41.2	178.6	-161.7	171	-177.3	167.4	0	111.3	I350 L394 Q395 L396 S402 L871 W874	I350-K398 PolarHBondContact O-NZ 2.79Å; L394-K398 VanDerWaalsContact O-CB 3.31Å; L394-K398 WeakPolarHBondContact O-CB 3.46Å; L394-K398 PolarHBondContact O-N 2.82Å; Q395-K398 PolarHBondContact O-N 3.15Å; L396-K398 VanDerWaalsContact C-N 3.34Å; L396-K398 PolarHBondContact O-N 2.95Å; K398-S402 VanDerWaalsContact O-CB 3.28Å; K398-S402 WeakPolarHBondContact O-CB 3.34Å; K398-S402 PolarHBondContact O-N 2.93Å; K398-S402 VanDerWaalsContact O-N 3.08Å; K398-L871 HydrophobicContact CG-CD2 4.06Å; K398-W874 HydrophobicContact CD-CD2 3.79Å; K398-W874 HydrophobicContact CD-CE3 4.03Å; K398-W874 HydrophobicContact CD-CG 4.33Å; K398-W874 HydrophobicContact CD-CH2 4.21Å; K398-W874 HydrophobicContact CD-CZ2 3.97Å; K398-W874 HydrophobicContact CD-CZ3 4.21Å; K398-W874 VanDerWaalsContact NZ-CE3 3.35Å
399	N	72.4	Confident	76.7	Confident	48 Å²	48	39.5 Å²	39.5	26%	0.257	20%	0.202	S	C	.	.	H	α-helix	trans	-62.6	-47.5	174.4	-67.4	6.5	0	0	0	111.4	Q395 L396 H401 S402	Q395-N399 PolarHBondContact NE2-OD1 3.35Å; Q395-N399 WeakPolarHBondContact O-CB 3.46Å; Q395-N399 PolarHBondContact O-N 2.93Å; Q395-N399 PolarHBondContact O-OD1 2.97Å; Q395-N399 VanDerWaalsContact O-OD1 3.12Å; L396-N399 PolarHBondContact O-N 2.84Å; N399-H401 PolarHBondContact O-N 2.79Å; N399-S402 PolarHBondContact O-N 2.86Å
400	K	75.8	Confident	77.3	Confident	103 Å²	103	39.5 Å²	39.5	45%	0.448	20%	0.202	S	C	.	.	H	α-helix	trans	-68.4	-28.7	-175.5	178.8	165	177.3	161.3	0	114.5	V324 E325 L396	V324-K400 HydrophobicContact CG1-CD 4.42Å; E325-K400 IonicContact OE1-NZ 2.65Å; E325-K400 PolarHBondContact OE1-NZ 2.88Å; E325-K400 IonicContact OE2-NZ 3.3Å; E325-K400 PolarHBondContact OE2-NZ 2.86Å; L396-K400 WeakPolarHBondContact O-CB 3.37Å; L396-K400 PolarHBondContact O-N 3.16Å
401	H	77.5	Confident	77.7	Confident	53 Å²	53	40.8 Å²	40.8	25%	0.245	21%	0.211	C	C	.	.	H	α-helix	trans	-105	0.5	180	-69	-98.6	0	0	0	113.6	V324 E325 G327 H347 M397 N399	V324-H401 PolarHBondContact O-CD2 2.78Å; V324-H401 PolarHBondContact O-NE2 2.85Å; E325-H401 PolarHBondContact O-CE1 3.1Å; E325-H401 PolarHBondContact O-NE2 2.99Å; E325-H401 VanDerWaalsContact O-NE2 3.1Å; G327-H401 WeakPolarHBondContact CA-NE2 3.3Å; G327-H401 PolarHBondContact N-CE1 3.13Å; G327-H401 VanDerWaalsContact N-CE1 3.34Å; G327-H401 PolarHBondContact N-NE2 3.13Å; H347-H401 HydrophobicContact CB-CB 4.48Å; H347-H401 PolarHBondContact CE1-O 2.83Å; H347-H401 VanDerWaalsContact CE1-O 3.3Å; H347-H401 WeakPolarHBondContact ND1-CB 3.39Å; H347-H401 PolarHBondContact NE2-O 2.87Å; M397-H401 PolarHBondContact O-CD2 3.04Å; M397-H401 VanDerWaalsContact O-CD2 3.31Å; M397-H401 PolarHBondContact O-N 3.1Å; N399-H401 PolarHBondContact O-N 2.79Å
402	S	69.8	Low	78.4	Confident	31 Å²	31	40.7 Å²	40.7	22%	0.217	21%	0.21	C	C	.	.	S	Bend	trans	-70.5	136.6	172.4	-164.1	0	0	0	0	110.8	K398 N399 Q404	K398-S402 VanDerWaalsContact O-CB 3.28Å; K398-S402 WeakPolarHBondContact O-CB 3.34Å; K398-S402 PolarHBondContact O-N 2.93Å; K398-S402 VanDerWaalsContact O-N 3.08Å; N399-S402 PolarHBondContact O-N 2.86Å; S402-Q404 PolarHBondContact O-N 3.09Å; S402-Q404 VanDerWaalsContact OG-CG 3.25Å; S402-Q404 WeakPolarHBondContact OG-CG 3.49Å
403	N	63.1	Low	79.4	Confident	163 Å²	163	39.3 Å²	39.3	87%	0.872	20%	0.204	S	C	*	.			trans	-78.6	51.1	174.8	-57.6	-52.4	0	0	0	111.6
404	Q	60.7	Low	80.1	Confident	68 Å²	68	39.3 Å²	39.3	32%	0.318	20%	0.204	S	C	.	.			trans	-115.7	125.9	-179.5	-64	-80.1	9.1	0	0	109.7	S402 E406 R868	S402-Q404 PolarHBondContact O-N 3.09Å; S402-Q404 VanDerWaalsContact OG-CG 3.25Å; S402-Q404 WeakPolarHBondContact OG-CG 3.49Å; Q404-E406 VanDerWaalsContact C-N 3.25Å; Q404-E406 PolarHBondContact O-N 3.28Å; Q404-R868 VanDerWaalsContact OE1-CZ 3.3Å
405	D	62.3	Low	80.8	Confident	152 Å²	152	39.3 Å²	39.3	81%	0.813	20%	0.204	S	C	*	.	S	Bend	trans	-73.3	-17.6	-179.2	-55.5	-63.2	0	0	0	113.2	R507	D405-R507 PolarHBondContact O-NH2 3.38Å
406	E	72.7	Confident	81.9	Confident	50 Å²	50	39 Å²	39	23%	0.234	20%	0.202	C	C	.	.	S	Bend	trans	-127.4	144.2	179.1	-59.2	-154.3	128.7	0	0	112	Q404 N537 S717 Q718	Q404-E406 VanDerWaalsContact C-N 3.25Å; Q404-E406 PolarHBondContact O-N 3.28Å; E406-N537 PolarHBondContact OE1-ND2 3.1Å; E406-N537 PolarHBondContact OE2-ND2 2.63Å; E406-N537 VanDerWaalsContact OE2-ND2 3.12Å; E406-S717 WeakPolarHBondContact OE2-CA 3.36Å; E406-S717 WeakPolarHBondContact OE2-CB 3.46Å; E406-S717 PolarHBondContact OE2-OG 3.34Å; E406-Q718 PolarHBondContact OE2-N 2.95Å; E406-Q718 VanDerWaalsContact OE2-N 3.13Å
407	P	82.8	Confident	83	Confident	24 Å²	24	37 Å²	37	16%	0.156	19%	0.192	C	C	.	.			trans	-74.1	138.4	174.4	31.3	-33.9	0	0	0	111.1	M409 I410 F536 V715	P407-M409 VanDerWaalsContact C-N 3.29Å; P407-I410 HydrophobicContact CB-CG2 4.48Å; P407-I410 HydrophobicContact CG-CG2 4.33Å; P407-F536 HydrophobicContact CG-CE1 4.01Å; P407-F536 HydrophobicContact CG-CZ 4.17Å; P407-V715 WeakPolarHBondContact O-CG2 3.44Å
408	D	82.7	Confident	83.7	Confident	14 Å²	14	37.1 Å²	37.1	8%	0.075	19%	0.192	C	C	.	.	S	Bend	trans	-87.2	-3.2	167.8	-70.3	-17	0	0	0	112.5	G714 V715 R868 Y872	D408-G714 WeakPolarHBondContact O-CA 3.44Å; D408-V715 CarbonylContact C-O 3.58Å; D408-V715 PolarHBondContact O-N 3Å; D408-R868 IonicContact OD1-CZ 2.79Å; D408-R868 IonicContact OD1-NH2 3.91Å; D408-R868 PolarHBondContact OD1-NH2 3.03Å; D408-R868 IonicContact OD2-CZ 2.6Å; D408-R868 IonicContact OD2-NH2 3.16Å; D408-R868 PolarHBondContact OD2-NH2 3.16Å; D408-Y872 HydrophobicContact CB-CD1 4.5Å; D408-Y872 HydrophobicContact CB-CE1 4.2Å; D408-Y872 WeakPolarHBondContact O-CE1 3.3Å
409	M	86	Confident	84.7	Confident	11 Å²	11	36 Å²	36	5%	0.054	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	138.6	-168.8	169.2	175.9	-80.6	0	0	110.2	Q395 P407 H687 E712 V713 Y872	Q395-M409 HydrophobicContact CG-SD 3.95Å; P407-M409 VanDerWaalsContact C-N 3.29Å; M409-H687 VanDerWaalsContact CE-CD2 3.48Å; M409-H687 WeakPolarHBondContact CE-CD2 3.2Å; M409-H687 VanDerWaalsContact CE-NE2 3.28Å; M409-H687 WeakPolarHBondContact CE-NE2 3.26Å; M409-E712 VanDerWaalsContact CE-CD 3.5Å; M409-E712 HydrophobicContact CE-CG 3.52Å; M409-E712 WeakPolarHBondContact CE-OE1 3.35Å; M409-E712 HydrophobicContact CG-CG 3.85Å; M409-E712 VanDerWaalsContact SD-CD 3.57Å; M409-E712 HydrophobicContact SD-CG 3.47Å; M409-E712 WeakPolarHBondContact SD-CG 3.42Å; M409-V713 CarbonylContact C-O 3.57Å; M409-V713 VanDerWaalsContact CA-O 3.29Å; M409-V713 WeakPolarHBondContact CA-O 3.33Å; M409-Y872 HydrophobicContact CB-CD1 4.47Å; M409-Y872 VanDerWaalsContact CE-CB 3.41Å; M409-Y872 HydrophobicContact CE-CD1 3.89Å; M409-Y872 HydrophobicContact CE-CG 3.88Å
410	I	91.6	Very high	85.7	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	156.7	173.1	61.1	176.9	0	0	0	111.4	P407 I412 D451 L452 F536 F541 V713 V715	P407-I410 HydrophobicContact CB-CG2 4.48Å; P407-I410 HydrophobicContact CG-CG2 4.33Å; I410-I412 HydrophobicContact CD1-CD1 4.14Å; I410-I412 HydrophobicContact CD1-CG1 4.25Å; I410-I412 HydrophobicContact CG1-CD1 4.41Å; I410-I412 HydrophobicContact CG1-CG1 4.23Å; I410-D451 VanDerWaalsContact CA-OD2 3.3Å; I410-D451 WeakPolarHBondContact CA-OD2 3.33Å; I410-D451 HydrophobicContact CB-CB 4Å; I410-D451 HydrophobicContact CG2-CB 4.26Å; I410-L452 HydrophobicContact CD1-CD1 3.87Å; I410-F536 HydrophobicContact CD1-CD1 4.47Å; I410-F536 HydrophobicContact CD1-CD2 3.93Å; I410-F536 HydrophobicContact CD1-CE2 4.08Å; I410-F536 HydrophobicContact CD1-CG 4.15Å; I410-F536 HydrophobicContact CD1-CZ 4.45Å; I410-F536 HydrophobicContact CG2-CE1 4Å; I410-F536 HydrophobicContact CG2-CE2 4.12Å; I410-F536 HydrophobicContact CG2-CZ 3.65Å; I410-F541 HydrophobicContact CD1-CE2 4.31Å; I410-F541 HydrophobicContact CD1-CZ 4.05Å; I410-V713 PolarHBondContact N-O 2.87Å; I410-V713 PolarHBondContact O-N 3.49Å; I410-V715 HydrophobicContact CD1-CG1 3.83Å; I410-V715 HydrophobicContact CG1-CG1 3.83Å; I410-V715 HydrophobicContact CG2-CG2 4.08Å
411	S	94.3	Very high	86.5	Confident	28 Å²	28	32.1 Å²	32.1	20%	0.196	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.4	171.3	-168.6	0	0	0	0	111.3	H450 D451 L452 F711	S411-H450 PolarHBondContact OG-ND1 3.44Å; S411-D451 PolarHBondContact N-OD2 3.17Å; S411-D451 WeakPolarHBondContact O-CB 3.2Å; S411-D451 PolarHBondContact O-N 2.59Å; S411-L452 PolarHBondContact O-N 2.85Å; S411-F711 CarbonylContact C-O 3.58Å; S411-F711 VanDerWaalsContact CA-O 3.26Å; S411-F711 WeakPolarHBondContact CA-O 3.07Å; S411-F711 PolarHBondContact OG-O 2.98Å
412	I	98.1	Very high	86.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.8	-175.5	-50.4	-174.1	0	0	0	109	I410 I414 L452 V454 F541 F543 F589 T710 F711 V713	I410-I412 HydrophobicContact CD1-CD1 4.14Å; I410-I412 HydrophobicContact CD1-CG1 4.25Å; I410-I412 HydrophobicContact CG1-CD1 4.41Å; I410-I412 HydrophobicContact CG1-CG1 4.23Å; I412-I414 HydrophobicContact CG2-CD1 4.48Å; I412-I414 HydrophobicContact CG2-CG1 4.03Å; I412-L452 HydrophobicContact CB-CB 4.43Å; I412-L452 HydrophobicContact CD1-CD1 3.99Å; I412-L452 HydrophobicContact CG1-CB 4.26Å; I412-L452 HydrophobicContact CG1-CD1 4.1Å; I412-L452 HydrophobicContact CG2-CB 4.03Å; I412-V454 HydrophobicContact CG2-CG2 4.32Å; I412-F541 HydrophobicContact CD1-CD1 4.01Å; I412-F541 HydrophobicContact CD1-CE1 3.4Å; I412-F541 VanDerWaalsContact CD1-CE1 3.4Å; I412-F541 HydrophobicContact CD1-CZ 4.02Å; I412-F543 HydrophobicContact CD1-CZ 4.48Å; I412-F543 HydrophobicContact CG2-CE1 4.23Å; I412-F543 HydrophobicContact CG2-CZ 4.32Å; I412-F589 HydrophobicContact CD1-CE2 4.4Å; I412-T710 CarbonylContact O-C 3.56Å; I412-T710 WeakPolarHBondContact O-CA 3.46Å; I412-F711 PolarHBondContact N-O 3.18Å; I412-F711 PolarHBondContact O-N 2.9Å; I412-V713 HydrophobicContact CD1-CB 4.4Å; I412-V713 HydrophobicContact CD1-CG2 3.91Å; I412-V713 HydrophobicContact CG1-CG2 4.27Å
413	F	98.6	Very high	87.4	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	137.9	164.4	171.9	-85	0	0	0	110.3	G415 W431 H450 L452 Y453 V454 F455 F708 T710	F413-G415 VanDerWaalsContact CE1-N 3.32Å; F413-W431 WeakPolarHBondContact CE2-O 3.38Å; F413-W431 HydrophobicContact CZ-CG 4.48Å; F413-H450 HydrophobicContact CB-CB 4.23Å; F413-L452 PolarHBondContact N-O 2.95Å; F413-Y453 HydrophobicContact CB-CD1 3.46Å; F413-Y453 VanDerWaalsContact CB-CD1 3.46Å; F413-Y453 HydrophobicContact CB-CE1 3.78Å; F413-Y453 HydrophobicContact CB-CG 4Å; F413-Y453 AromaticContact CD1-CD1 3.51Å; F413-Y453 HydrophobicContact CD1-CD1 3.51Å; F413-Y453 HydrophobicContact CD1-CE1 4.29Å; F413-Y453 HydrophobicContact CD1-CG 4.3Å; F413-Y453 HydrophobicContact CD2-CD1 4.29Å; F413-Y453 HydrophobicContact CD2-CE1 4.28Å; F413-Y453 HydrophobicContact CE1-CD1 4.34Å; F413-Y453 AromaticContact CG-CD1 3.48Å; F413-Y453 HydrophobicContact CG-CD1 3.48Å; F413-Y453 VanDerWaalsContact CG-CD1 3.48Å; F413-Y453 AromaticContact CG-CE1 3.86Å; F413-Y453 HydrophobicContact CG-CE1 3.86Å; F413-Y453 HydrophobicContact CG-CG 4.38Å; F413-V454 PolarHBondContact O-N 3.32Å; F413-F455 HydrophobicContact CD1-CE1 4.17Å; F413-F455 HydrophobicContact CD1-CZ 4.33Å; F413-F455 AromaticContact CE1-CD1 3.84Å; F413-F455 HydrophobicContact CE1-CD1 3.84Å; F413-F455 AromaticContact CE1-CE1 3.46Å; F413-F455 HydrophobicContact CE1-CE1 3.46Å; F413-F455 VanDerWaalsContact CE1-CE1 3.46Å; F413-F455 HydrophobicContact CE1-CZ 4.05Å; F413-F455 HydrophobicContact CZ-CE1 4.17Å; F413-F708 HydrophobicContact CE2-CB 3.76Å; F413-F708 HydrophobicContact CZ-CB 4.14Å; F413-T710 HydrophobicContact CB-CG2 4.38Å; F413-T710 HydrophobicContact CD2-CG2 3.97Å
414	I	98.9	Very high	87.9	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	122	171.6	-54.1	-173.2	0	0	0	108.4	I412 V454 F543 F589 L591 I678 F708 G709 F711	I412-I414 HydrophobicContact CG2-CD1 4.48Å; I412-I414 HydrophobicContact CG2-CG1 4.03Å; I414-V454 CarbonylContact C-O 3.57Å; I414-V454 WeakPolarHBondContact CA-O 3.37Å; I414-V454 HydrophobicContact CG1-CB 4.32Å; I414-F543 HydrophobicContact CD1-CD1 4.23Å; I414-F543 HydrophobicContact CD1-CE1 3.94Å; I414-F543 HydrophobicContact CG1-CE1 4.47Å; I414-F589 HydrophobicContact CD1-CB 3.65Å; I414-F589 HydrophobicContact CD1-CD1 3.23Å; I414-F589 HydrophobicContact CD1-CD2 4Å; I414-F589 HydrophobicContact CD1-CE1 3.79Å; I414-F589 HydrophobicContact CD1-CE2 4.46Å; I414-F589 HydrophobicContact CD1-CG 3.34Å; I414-F589 HydrophobicContact CD1-CZ 4.36Å; I414-L591 HydrophobicContact CG2-CB 4.26Å; I414-L591 HydrophobicContact CG2-CD1 3.88Å; I414-L591 HydrophobicContact CG2-CD2 3.85Å; I414-L591 HydrophobicContact CG2-CG 4.22Å; I414-I678 HydrophobicContact CB-CD1 4.36Å; I414-I678 HydrophobicContact CB-CG2 4.43Å; I414-I678 HydrophobicContact CG2-CD1 4.08Å; I414-I678 HydrophobicContact CG2-CG1 4.46Å; I414-I678 HydrophobicContact CG2-CG2 4.02Å; I414-I678 WeakPolarHBondContact O-CD1 3.48Å; I414-F708 CarbonylContact O-C 3.58Å; I414-F708 WeakPolarHBondContact O-CA 3.25Å; I414-G709 PolarHBondContact N-O 3.04Å; I414-G709 PolarHBondContact O-N 2.93Å; I414-G709 VanDerWaalsContact O-O 3.11Å; I414-F711 HydrophobicContact CB-CE2 4.44Å; I414-F711 HydrophobicContact CD1-CD2 3.89Å; I414-F711 HydrophobicContact CD1-CE2 3.8Å; I414-F711 HydrophobicContact CG1-CD2 4.16Å; I414-F711 HydrophobicContact CG1-CE2 4.2Å
415	G	98.7	Very high	88.9	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	141.9	172.8	0	0	0	0	0	111.3	F413 V454 G456 L591 V707	F413-G415 VanDerWaalsContact CE1-N 3.32Å; G415-V454 PolarHBondContact N-O 3.25Å; G415-G456 PolarHBondContact O-N 2.94Å; G415-L591 VanDerWaalsContact O-CD1 3.28Å; G415-L591 WeakPolarHBondContact O-CD1 3.21Å; G415-V707 CarbonylContact C-O 3.58Å; G415-V707 VanDerWaalsContact CA-O 3.28Å; G415-V707 WeakPolarHBondContact CA-O 3.27Å
416	T	98.9	Very high	89.5	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.8	164	-176.9	0	0	0	0	110.3	G456 Q458 G592 D676 I678 V707	T416-G456 WeakPolarHBondContact CA-O 3.3Å; T416-Q458 PolarHBondContact OG1-NE2 2.81Å; T416-G592 VanDerWaalsContact OG1-CA 3.3Å; T416-G592 WeakPolarHBondContact OG1-CA 3.38Å; T416-D676 HydrophobicContact CG2-CB 4.25Å; T416-I678 HydrophobicContact CG2-CG1 4.06Å; T416-V707 HydrophobicContact CG2-CB 3.86Å; T416-V707 HydrophobicContact CG2-CG1 4.22Å; T416-V707 PolarHBondContact N-O 3.09Å; T416-V707 PolarHBondContact O-N 3.05Å
417	W	98.6	Very high	90.1	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.011	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	118.8	176.2	-177.8	33	0	0	0	112.8	M419 V428 W431 G456 S457 Q458 I699 T701 H704 P706	W417-M419 HydrophobicContact CD2-CG 3.74Å; W417-M419 HydrophobicContact CE3-CG 3.56Å; W417-M419 HydrophobicContact CE3-SD 4.22Å; W417-M419 HydrophobicContact CG-CG 4.37Å; W417-M419 HydrophobicContact CH2-CG 4.16Å; W417-M419 HydrophobicContact CZ2-CG 4.35Å; W417-M419 HydrophobicContact CZ3-CE 4.23Å; W417-M419 HydrophobicContact CZ3-CG 3.78Å; W417-M419 HydrophobicContact CZ3-SD 4.24Å; W417-M419 PolarHBondContact O-N 3.15Å; W417-V428 HydrophobicContact CZ3-CG1 4.41Å; W417-W431 HydrophobicContact CB-CH2 3.9Å; W417-W431 HydrophobicContact CB-CZ2 3.76Å; W417-W431 HydrophobicContact CE3-CZ3 4.25Å; W417-G456 PolarHBondContact N-O 3.3Å; W417-S457 VanDerWaalsContact O-CA 3.26Å; W417-S457 WeakPolarHBondContact O-CA 3.38Å; W417-Q458 PolarHBondContact O-N 2.8Å; W417-Q458 VanDerWaalsContact O-N 3.11Å; W417-Q458 PolarHBondContact O-OE1 3.36Å; W417-I699 HydrophobicContact CH2-CG2 3.85Å; W417-I699 HydrophobicContact CZ2-CG2 3.61Å; W417-T701 WeakPolarHBondContact CZ2-OG1 3.41Å; W417-H704 PolarHBondContact NE1-O 3Å; W417-P706 HydrophobicContact CB-CB 4.02Å; W417-P706 HydrophobicContact CB-CG 4.38Å; W417-P706 HydrophobicContact CD2-CB 4.29Å; W417-P706 HydrophobicContact CD2-CG 3.69Å; W417-P706 HydrophobicContact CE3-CG 4.3Å; W417-P706 HydrophobicContact CG-CB 3.86Å; W417-P706 HydrophobicContact CG-CG 3.69Å; W417-P706 HydrophobicContact CZ2-CG 4.47Å
418	N	98.4	Very high	90.6	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	110.5	165.4	-176.1	-27.1	0	0	0	108.9	G420 Q458 E459 D593 S702 H704	N418-G420 VanDerWaalsContact C-N 3.25Å; N418-G420 PolarHBondContact O-N 2.77Å; N418-G420 PolarHBondContact OD1-N 2.94Å; N418-Q458 CarbonylContact C-O 3.42Å; N418-Q458 WeakPolarHBondContact CA-O 3.2Å; N418-Q458 VanDerWaalsContact CA-OE1 3.3Å; N418-Q458 HydrophobicContact CB-CB 4.25Å; N418-E459 WeakPolarHBondContact OD1-CB 3.35Å; N418-D593 HydrophobicContact CB-CB 4.37Å; N418-D593 PolarHBondContact ND2-OD2 3.38Å; N418-S702 VanDerWaalsContact O-CB 3.31Å; N418-S702 WeakPolarHBondContact O-CB 3.36Å; N418-S702 PolarHBondContact O-OG 2.99Å; N418-H704 HydrophobicContact CB-CB 4.11Å; N418-H704 PolarHBondContact ND2-NE2 3.19Å
419	M	97.1	Very high	91.1	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	18%	0.178	C	C	.	.			trans	-79.1	-2.4	-175.5	-68.9	179.1	60.6	0	0	113.6	W417 S421 V422 Q458 N460 V462	W417-M419 HydrophobicContact CD2-CG 3.74Å; W417-M419 HydrophobicContact CE3-CG 3.56Å; W417-M419 HydrophobicContact CE3-SD 4.22Å; W417-M419 HydrophobicContact CG-CG 4.37Å; W417-M419 HydrophobicContact CH2-CG 4.16Å; W417-M419 HydrophobicContact CZ2-CG 4.35Å; W417-M419 HydrophobicContact CZ3-CE 4.23Å; W417-M419 HydrophobicContact CZ3-CG 3.78Å; W417-M419 HydrophobicContact CZ3-SD 4.24Å; W417-M419 PolarHBondContact O-N 3.15Å; M419-S421 PolarHBondContact O-N 2.9Å; M419-S421 VanDerWaalsContact O-N 3.17Å; M419-V422 WeakPolarHBondContact O-CG2 3.33Å; M419-V422 PolarHBondContact O-N 3.11Å; M419-Q458 PolarHBondContact N-O 3.18Å; M419-N460 HydrophobicContact SD-CB 3.73Å; M419-V462 HydrophobicContact CE-CG2 4.02Å
420	G	93.9	Very high	91.4	Very high	4 Å²	4	30.3 Å²	30.3	4%	0.041	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	30.9	174.8	0	0	0	0	0	114	N418 V422 R651 S702	N418-G420 VanDerWaalsContact C-N 3.25Å; N418-G420 PolarHBondContact O-N 2.77Å; N418-G420 PolarHBondContact OD1-N 2.94Å; G420-V422 PolarHBondContact O-N 3.02Å; G420-R651 VanDerWaalsContact O-CZ 3.29Å; G420-R651 PolarHBondContact O-NH1 3.13Å; G420-R651 PolarHBondContact O-NH2 2.8Å; G420-S702 PolarHBondContact N-OG 2.77Å
421	S	91.6	Very high	91.7	Very high	66 Å²	66	30.3 Å²	30.3	46%	0.462	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	10.6	-178.9	-57.8	0	0	0	0	115.9	M419 E459 S461	M419-S421 PolarHBondContact O-N 2.9Å; M419-S421 VanDerWaalsContact O-N 3.17Å; S421-E459 WeakPolarHBondContact CA-O 3.17Å; S421-E459 PolarHBondContact N-O 2.97Å; S421-E459 PolarHBondContact OG-OE2 3Å; S421-S461 VanDerWaalsContact C-OG 3.3Å; S421-S461 PolarHBondContact O-OG 3.28Å
422	V	87.3	Confident	91.7	Very high	43 Å²	43	29 Å²	29	26%	0.261	17%	0.17	S	C	.	.	S	Bend	trans	-106.6	156.5	176.8	-71.2	0	0	0	0	113.4	M419 G420 R651 T701	M419-V422 WeakPolarHBondContact O-CG2 3.33Å; M419-V422 PolarHBondContact O-N 3.11Å; G420-V422 PolarHBondContact O-N 3.02Å; V422-R651 VanDerWaalsContact CG1-NH1 3.33Å; V422-T701 WeakPolarHBondContact CG2-O 3.44Å
423	P	80.4	Confident	91.5	Very high	91 Å²	91	30.1 Å²	30.1	59%	0.591	18%	0.176	S	C	*	.	P	Polyproline II helix	trans	-59.2	156.5	173.9	-24.6	35.1	0	0	0	113.9
424	S	73.3	Confident	91.3	Very high	47 Å²	47	30.2 Å²	30.2	33%	0.329	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-59.1	145.6	171.3	-179.4	0	0	0	0	111.7
425	P	81.5	Confident	91.1	Very high	36 Å²	36	36 Å²	36	23%	0.234	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-62.2	165.8	163.6	30.4	-37	0	0	0	111.4	S427 V428 I699 T701	P425-S427 WeakPolarHBondContact CG-O 3.44Å; P425-S427 PolarHBondContact O-N 3.37Å; P425-S427 VanDerWaalsContact O-N 3.14Å; P425-V428 HydrophobicContact CG-CG1 3.8Å; P425-I699 HydrophobicContact CG-CG1 4.48Å; P425-I699 HydrophobicContact CG-CG2 4.12Å; P425-T701 HydrophobicContact CB-CG2 3.95Å; P425-T701 HydrophobicContact CG-CG2 4.34Å
426	K	75.1	Confident	90.9	Very high	223 Å²	223	37.2 Å²	37.2	97%	0.97	21%	0.211	S	C	*	.	S	Bend	trans	-62.1	-17.8	-179.2	-67.2	-176.7	178	179.4	0	114.8
427	S	84.6	Confident	90.8	Very high	56 Å²	56	40 Å²	40	39%	0.392	23%	0.226	S	C	.	.			trans	-145.3	141.6	170.1	-175.5	0	0	0	0	109.4	P425 A429	P425-S427 WeakPolarHBondContact CG-O 3.44Å; P425-S427 PolarHBondContact O-N 3.37Å; P425-S427 VanDerWaalsContact O-N 3.14Å; S427-A429 WeakPolarHBondContact OG-CB 3.26Å; S427-A429 PolarHBondContact OG-N 2.86Å
428	V	92.6	Very high	90.7	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.042	24%	0.238	C	C	.	.			trans	-122.7	27.2	169.4	-65	0	0	0	0	110.8	W417 P425 S430 W431 V432 V474 I699	W417-V428 HydrophobicContact CZ3-CG1 4.41Å; P425-V428 HydrophobicContact CG-CG1 3.8Å; V428-S430 VanDerWaalsContact C-N 3.31Å; V428-S430 PolarHBondContact O-N 2.84Å; V428-W431 HydrophobicContact CB-CE3 4.42Å; V428-W431 WeakPolarHBondContact O-CB 3.07Å; V428-W431 PolarHBondContact O-N 2.86Å; V428-W431 VanDerWaalsContact O-N 3.14Å; V428-V432 PolarHBondContact O-N 3.36Å; V428-V474 HydrophobicContact CG2-CG1 4.36Å; V428-V474 HydrophobicContact CG2-CG2 4.21Å; V428-I699 HydrophobicContact CB-CD1 3.96Å; V428-I699 HydrophobicContact CG1-CD1 4.02Å
429	A	92.9	Very high	90.5	Very high	15 Å²	15	44.5 Å²	44.5	12%	0.124	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-37.6	-173.9	0	0	0	0	0	112.8	S427 W431 V432 L433 Q478	S427-A429 WeakPolarHBondContact OG-CB 3.26Å; S427-A429 PolarHBondContact OG-N 2.86Å; A429-W431 VanDerWaalsContact C-N 3.28Å; A429-W431 PolarHBondContact O-N 2.92Å; A429-V432 PolarHBondContact O-N 2.85Å; A429-L433 WeakPolarHBondContact O-CB 3.45Å; A429-L433 WeakPolarHBondContact O-CG 3.49Å; A429-L433 PolarHBondContact O-N 3.01Å; A429-Q478 HydrophobicContact CB-CG 4.21Å
430	S	94.2	Very high	90.3	Very high	10 Å²	10	46.2 Å²	46.2	7%	0.07	26%	0.263	C	S	.	.	H	α-helix	trans	-55.9	-40.1	175.6	53.1	0	0	0	0	113.3	V428 L433 C434 R435 D698 I699	V428-S430 VanDerWaalsContact C-N 3.31Å; V428-S430 PolarHBondContact O-N 2.84Å; S430-L433 CarbonylContact O-C 3.58Å; S430-L433 PolarHBondContact O-N 3.25Å; S430-C434 PolarHBondContact O-N 2.91Å; S430-R435 PolarHBondContact O-N 2.61Å; S430-D698 WeakPolarHBondContact CB-OD1 3.4Å; S430-D698 VanDerWaalsContact CB-OD2 3.23Å; S430-D698 WeakPolarHBondContact CB-OD2 3.13Å; S430-D698 PolarHBondContact OG-OD1 3.42Å; S430-D698 PolarHBondContact OG-OD2 3.2Å; S430-D698 VanDerWaalsContact OG-OD2 3.1Å; S430-I699 WeakPolarHBondContact OG-CD1 3.46Å
431	W	96.3	Very high	89.9	Confident	3 Å²	3	47 Å²	47	1%	0.011	27%	0.266	C	S	.	.	H	α-helix	trans	-66.5	-52.3	178.4	-172.6	36.4	0	0	0	110.8	F413 W417 V428 A429 L433 C434 F455 L471 T696 I699 P706 V707	F413-W431 WeakPolarHBondContact CE2-O 3.38Å; F413-W431 HydrophobicContact CZ-CG 4.48Å; W417-W431 HydrophobicContact CB-CH2 3.9Å; W417-W431 HydrophobicContact CB-CZ2 3.76Å; W417-W431 HydrophobicContact CE3-CZ3 4.25Å; V428-W431 HydrophobicContact CB-CE3 4.42Å; V428-W431 WeakPolarHBondContact O-CB 3.07Å; V428-W431 PolarHBondContact O-N 2.86Å; V428-W431 VanDerWaalsContact O-N 3.14Å; A429-W431 VanDerWaalsContact C-N 3.28Å; A429-W431 PolarHBondContact O-N 2.92Å; W431-L433 PolarHBondContact O-N 2.89Å; W431-C434 PolarHBondContact O-N 2.91Å; W431-C434 VanDerWaalsContact O-N 3.11Å; W431-F455 HydrophobicContact CE3-CD1 4.24Å; W431-F455 HydrophobicContact CE3-CE1 4.33Å; W431-F455 AromaticContact CH2-CD1 3.82Å; W431-F455 HydrophobicContact CH2-CD1 3.82Å; W431-F455 HydrophobicContact CZ2-CD1 4.28Å; W431-F455 AromaticContact CZ3-CD1 3.78Å; W431-F455 HydrophobicContact CZ3-CD1 3.78Å; W431-F455 HydrophobicContact CZ3-CE1 4.3Å; W431-L471 HydrophobicContact CZ3-CD2 4.49Å; W431-T696 HydrophobicContact CB-CG2 3.87Å; W431-I699 HydrophobicContact CB-CD1 3.92Å; W431-P706 HydrophobicContact CB-CB 4.35Å; W431-P706 HydrophobicContact CD2-CB 3.94Å; W431-P706 HydrophobicContact CG-CB 3.74Å; W431-V707 PolarHBondContact NE1-O 2.84Å
432	V	94.5	Very high	89.3	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-60.7	-29	177.6	177.7	0	0	0	0	112.3	V428 A429 Y453 F455 V474 L475	V428-V432 PolarHBondContact O-N 3.36Å; A429-V432 PolarHBondContact O-N 2.85Å; V432-Y453 HydrophobicContact CG1-CD1 4.47Å; V432-Y453 HydrophobicContact CG1-CE1 3.8Å; V432-F455 HydrophobicContact CG2-CE1 4.13Å; V432-F455 HydrophobicContact CG2-CZ 4.19Å; V432-V474 HydrophobicContact CB-CG1 4.49Å; V432-V474 HydrophobicContact CG2-CG1 3.96Å; V432-L475 HydrophobicContact CG1-CD2 3.68Å
433	L	93.6	Very high	88.7	Confident	23 Å²	23	50.3 Å²	50.3	12%	0.12	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	5.7	179.8	-65.1	-178.8	0	0	0	114	A429 S430 W431 R435 V446 Q478	A429-L433 WeakPolarHBondContact O-CB 3.45Å; A429-L433 WeakPolarHBondContact O-CG 3.49Å; A429-L433 PolarHBondContact O-N 3.01Å; S430-L433 CarbonylContact O-C 3.58Å; S430-L433 PolarHBondContact O-N 3.25Å; W431-L433 PolarHBondContact O-N 2.89Å; L433-R435 VanDerWaalsContact C-N 3.3Å; L433-R435 HydrophobicContact CB-CG 4.03Å; L433-R435 PolarHBondContact O-N 3.22Å; L433-V446 HydrophobicContact CB-CG2 3.55Å; L433-V446 HydrophobicContact CD1-CG2 4.47Å; L433-V446 HydrophobicContact CD2-CG2 3.88Å; L433-V446 HydrophobicContact CG-CG2 4.16Å; L433-V446 WeakPolarHBondContact O-CG2 3.43Å; L433-Q478 HydrophobicContact CD2-CB 4.25Å
434	C	95.4	Very high	88.2	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.007	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	43.1	179.3	-56.7	0	0	0	0	114.3	S430 W431 L441 F708 T710	S430-C434 PolarHBondContact O-N 2.91Å; W431-C434 PolarHBondContact O-N 2.91Å; W431-C434 VanDerWaalsContact O-N 3.11Å; C434-L441 HydrophobicContact CB-CB 4.34Å; C434-L441 HydrophobicContact CB-CD1 3.84Å; C434-L441 HydrophobicContact CB-CG 3.8Å; C434-F708 VanDerWaalsContact C-CZ 3.47Å; C434-F708 HydrophobicContact CB-CD2 3.49Å; C434-F708 VanDerWaalsContact CB-CD2 3.49Å; C434-F708 HydrophobicContact CB-CE2 3.7Å; C434-F708 HydrophobicContact CB-CG 4Å; C434-F708 HydrophobicContact CB-CZ 4.34Å; C434-F708 WeakPolarHBondContact O-CZ 3.12Å; C434-T710 WeakPolarHBondContact SG-CG2 3.36Å
435	R	93.8	Very high	88.3	Confident	121 Å²	121	45.2 Å²	45.2	46%	0.457	24%	0.236	S	C	.	.			trans	-104.7	147.2	180	-63.2	-177.1	176.5	-161.8	-4	111.2	S430 L433 V446 F708	S430-R435 PolarHBondContact O-N 2.61Å; L433-R435 VanDerWaalsContact C-N 3.3Å; L433-R435 HydrophobicContact CB-CG 4.03Å; L433-R435 PolarHBondContact O-N 3.22Å; R435-V446 HydrophobicContact CG-CG2 4.47Å; R435-F708 WeakPolarHBondContact O-CE1 3.28Å
436	G	95.1	Very high	88.1	Confident	27 Å²	27	44.1 Å²	44.1	28%	0.278	23%	0.228	S	C	.	.	S	Bend	trans	131.2	-127.8	-178.3	0	0	0	0	0	111.1	T440 D697	G436-T440 VanDerWaalsContact O-CG2 3.3Å; G436-T440 WeakPolarHBondContact O-CG2 3.33Å; G436-D697 WeakPolarHBondContact CA-OD1 3.45Å
437	L	96.8	Very high	88	Confident	59 Å²	59	37.2 Å²	37.2	31%	0.309	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	156.1	-172.1	-53.5	179.2	0	0	0	112.2	F643 P644 G694 C695 D697	L437-F643 HydrophobicContact CB-CB 4.11Å; L437-P644 HydrophobicContact CD1-CG 3.54Å; L437-G694 WeakPolarHBondContact O-CA 3.32Å; L437-C695 PolarHBondContact N-O 2.9Å; L437-C695 PolarHBondContact O-N 3.11Å; L437-C695 VanDerWaalsContact O-N 3.1Å; L437-D697 HydrophobicContact CD1-CB 4.35Å; L437-D697 HydrophobicContact CG-CB 4.25Å
438	G	96.5	Very high	87.9	Confident	26 Å²	26	36.1 Å²	36.1	27%	0.268	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	86.2	-153.4	-177.3	0	0	0	0	0	114.2	T440 S642	G438-T440 VanDerWaalsContact C-N 3.26Å; G438-T440 PolarHBondContact O-N 3.05Å; G438-S642 WeakPolarHBondContact CA-O 3.39Å; G438-S642 WeakPolarHBondContact CA-OG 3.5Å
439	K	94.4	Very high	87.7	Confident	75 Å²	75	37 Å²	37	33%	0.326	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	77.8	-179.9	-174.5	-176.8	169.6	176.1	0	109.7	E639 S642 C690 N691 S692 Y693	K439-E639 HydrophobicContact CD-CG 4.07Å; K439-E639 IonicContact NZ-OE2 3.17Å; K439-E639 PolarHBondContact NZ-OE2 2.92Å; K439-S642 PolarHBondContact N-OG 2.97Å; K439-C690 PolarHBondContact NZ-O 3.28Å; K439-N691 WeakPolarHBondContact CE-O 3.46Å; K439-S692 CarbonylContact O-C 3.54Å; K439-S692 WeakPolarHBondContact O-CA 3.45Å; K439-S692 WeakPolarHBondContact O-CB 3.43Å; K439-Y693 WeakPolarHBondContact CA-O 3.34Å; K439-Y693 WeakPolarHBondContact CB-O 3.39Å; K439-Y693 PolarHBondContact N-O 3.17Å; K439-Y693 PolarHBondContact O-N 2.73Å
440	T	93.1	Very high	87.7	Confident	37 Å²	37	36.9 Å²	36.9	23%	0.227	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-78	152.8	178	47.5	0	0	0	0	113.2	K385 G436 G438 F708	K385-T440 WeakPolarHBondContact CE-O 3.3Å; K385-T440 PolarHBondContact NZ-O 2.82Å; K385-T440 PolarHBondContact NZ-OG1 3.25Å; G436-T440 VanDerWaalsContact O-CG2 3.3Å; G436-T440 WeakPolarHBondContact O-CG2 3.33Å; G438-T440 VanDerWaalsContact C-N 3.26Å; G438-T440 PolarHBondContact O-N 3.05Å; T440-F708 HydrophobicContact CG2-CZ 4.08Å
441	L	84.7	Confident	87.8	Confident	19 Å²	19	37.4 Å²	37.4	10%	0.099	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-62.7	160.1	167.8	-69.9	-178.3	0	0	0	111.9	K385 C434 N691	K385-L441 VanDerWaalsContact CE-O 3.31Å; K385-L441 WeakPolarHBondContact CE-O 3.37Å; K385-L441 PolarHBondContact NZ-O 3.4Å; C434-L441 HydrophobicContact CB-CB 4.34Å; C434-L441 HydrophobicContact CB-CD1 3.84Å; C434-L441 HydrophobicContact CB-CG 3.8Å; L441-N691 HydrophobicContact CD2-CB 4.49Å
442	D	79.4	Confident	87.9	Confident	19 Å²	19	37.3 Å²	37.3	10%	0.102	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-82.1	154.4	175.3	-162.8	-90.2	0	0	0	111.4	K385 A389 M444 T445 V446	K385-D442 VanDerWaalsContact CE-CA 3.42Å; K385-D442 WeakPolarHBondContact CE-OD2 3.36Å; K385-D442 HydrophobicContact CG-CB 4.31Å; A389-D442 HydrophobicContact CB-CB 3.83Å; D442-M444 PolarHBondContact O-N 2.86Å; D442-M444 VanDerWaalsContact O-N 3.08Å; D442-M444 WeakPolarHBondContact OD1-CG 3.37Å; D442-M444 PolarHBondContact OD1-N 2.66Å; D442-M444 VanDerWaalsContact OD1-N 3.14Å; D442-T445 HydrophobicContact CB-CG2 4.29Å; D442-T445 PolarHBondContact N-OG1 2.75Å; D442-T445 VanDerWaalsContact N-OG1 3.09Å; D442-T445 PolarHBondContact O-N 3.22Å; D442-T445 PolarHBondContact O-OG1 3.05Å; D442-V446 WeakPolarHBondContact O-CB 3.47Å; D442-V446 WeakPolarHBondContact O-CG1 3.3Å; D442-V446 PolarHBondContact O-N 3.35Å
443	E	74.7	Confident	88.1	Confident	161 Å²	161	37.5 Å²	37.5	75%	0.752	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.2	177.6	-171.5	172.9	-147.5	0	0	112.5	V446	E443-V446 WeakPolarHBondContact O-CG1 3.32Å
444	M	70.4	Confident	88.3	Confident	26 Å²	26	36.4 Å²	36.4	13%	0.128	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-20.1	176.8	-55.1	177.7	-165.6	0	0	114	Q296 F298 L393 D442	Q296-M444 HydrophobicContact CG-CB 4Å; Q296-M444 HydrophobicContact CG-CG 3.77Å; Q296-M444 HydrophobicContact CG-SD 3.43Å; Q296-M444 WeakPolarHBondContact CG-SD 3.27Å; Q296-M444 PolarHBondContact NE2-SD 3.17Å; F298-M444 HydrophobicContact CD1-SD 4.44Å; F298-M444 HydrophobicContact CE1-SD 3.59Å; F298-M444 VanDerWaalsContact CE1-SD 3.59Å; F298-M444 HydrophobicContact CE2-SD 4.13Å; F298-M444 HydrophobicContact CZ-SD 3.4Å; F298-M444 WeakPolarHBondContact CZ-SD 3.4Å; L393-M444 HydrophobicContact CD1-CB 4.36Å; D442-M444 PolarHBondContact O-N 2.86Å; D442-M444 VanDerWaalsContact O-N 3.08Å; D442-M444 WeakPolarHBondContact OD1-CG 3.37Å; D442-M444 PolarHBondContact OD1-N 2.66Å; D442-M444 VanDerWaalsContact OD1-N 3.14Å
445	T	73.9	Confident	88.5	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.031	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-23.5	-175.4	64	0	0	0	0	112.3	A389 Q392 D442 T447 I448	A389-T445 HydrophobicContact CB-CG2 3.67Å; Q392-T445 HydrophobicContact CB-CG2 4.41Å; Q392-T445 VanDerWaalsContact OE1-CG2 3.28Å; D442-T445 HydrophobicContact CB-CG2 4.29Å; D442-T445 PolarHBondContact N-OG1 2.75Å; D442-T445 VanDerWaalsContact N-OG1 3.09Å; D442-T445 PolarHBondContact O-N 3.22Å; D442-T445 PolarHBondContact O-OG1 3.05Å; T445-T447 PolarHBondContact O-N 2.97Å; T445-T447 VanDerWaalsContact O-N 3.12Å; T445-I448 VanDerWaalsContact O-CB 3.31Å; T445-I448 WeakPolarHBondContact O-CB 3.42Å; T445-I448 WeakPolarHBondContact O-CG1 3.43Å; T445-I448 PolarHBondContact O-N 3.28Å
446	V	77.3	Confident	88.7	Confident	12 Å²	12	30.6 Å²	30.6	7%	0.073	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.4	176.6	67.6	0	0	0	0	114.4	L433 R435 D442 E443	L433-V446 HydrophobicContact CB-CG2 3.55Å; L433-V446 HydrophobicContact CD1-CG2 4.47Å; L433-V446 HydrophobicContact CD2-CG2 3.88Å; L433-V446 HydrophobicContact CG-CG2 4.16Å; L433-V446 WeakPolarHBondContact O-CG2 3.43Å; R435-V446 HydrophobicContact CG-CG2 4.47Å; D442-V446 WeakPolarHBondContact O-CB 3.47Å; D442-V446 WeakPolarHBondContact O-CG1 3.3Å; D442-V446 PolarHBondContact O-N 3.35Å; E443-V446 WeakPolarHBondContact O-CG1 3.32Å
447	T	73.6	Confident	88.9	Confident	79 Å²	79	29.3 Å²	29.3	49%	0.485	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-2.9	173.9	57.8	0	0	0	0	113.6	T445 P449	T445-T447 PolarHBondContact O-N 2.97Å; T445-T447 VanDerWaalsContact O-N 3.12Å; T447-P449 WeakPolarHBondContact O-CD 3.31Å
448	I	81.8	Confident	88.9	Confident	32 Å²	32	26.5 Å²	26.5	16%	0.164	14%	0.144	C	C	.	.	S	Bend	trans	-88.6	115.3	-179.6	-56.9	168	0	0	0	108.3	I293 L393 L396 T445 H450	I293-I448 HydrophobicContact CD1-CG1 4.39Å; L393-I448 HydrophobicContact CD2-CD1 4.15Å; L396-I448 HydrophobicContact CD2-CB 4.49Å; L396-I448 HydrophobicContact CD2-CD1 3.9Å; L396-I448 HydrophobicContact CD2-CG1 3.93Å; L396-I448 HydrophobicContact CD2-CG2 3.76Å; T445-I448 VanDerWaalsContact O-CB 3.31Å; T445-I448 WeakPolarHBondContact O-CB 3.42Å; T445-I448 WeakPolarHBondContact O-CG1 3.43Å; T445-I448 PolarHBondContact O-N 3.28Å; I448-H450 PolarHBondContact O-N 3.12Å
449	P	89	Confident	88.9	Confident	26 Å²	26	27.3 Å²	27.3	17%	0.169	14%	0.141	C	C	.	.			trans	-71	130.4	179.6	-17.4	32.5	0	0	0	111.4	T447 T479 L481 Y483 K501	T447-P449 WeakPolarHBondContact O-CD 3.31Å; P449-T479 HydrophobicContact CB-CG2 3.83Å; P449-T479 HydrophobicContact CG-CG2 4.13Å; P449-L481 HydrophobicContact CB-CD1 4.04Å; P449-L481 HydrophobicContact CG-CD1 4.2Å; P449-Y483 WeakPolarHBondContact CB-OH 3.42Å; P449-K501 WeakPolarHBondContact O-CE 3.44Å; P449-K501 PolarHBondContact O-NZ 3.06Å
450	H	94.2	Very high	88.9	Confident	13 Å²	13	23.9 Å²	23.9	6%	0.06	13%	0.126	C	C	.	.			trans	-69.3	147.6	175.7	-56.6	-68.3	0	0	0	111.4	S411 F413 I448 L452 Y453 Y483 K501 T710	S411-H450 PolarHBondContact OG-ND1 3.44Å; F413-H450 HydrophobicContact CB-CB 4.23Å; I448-H450 PolarHBondContact O-N 3.12Å; H450-L452 VanDerWaalsContact C-N 3.34Å; H450-Y453 HydrophobicContact CB-CD2 4.19Å; H450-Y453 HydrophobicContact CB-CE1 4.47Å; H450-Y453 HydrophobicContact CB-CE2 3.68Å; H450-Y453 AromaticContact CD2-CE1 3.77Å; H450-Y453 AromaticContact CD2-CZ 3.59Å; H450-Y453 PolarHBondContact CD2-OH 3.2Å; H450-Y453 PolarHBondContact N-OH 3.08Å; H450-Y453 WeakPolarHBondContact O-CE2 3.37Å; H450-Y483 WeakPolarHBondContact O-CE1 3.06Å; H450-Y483 PolarHBondContact O-OH 3.38Å; H450-K501 WeakPolarHBondContact O-CE 3.3Å; H450-T710 WeakPolarHBondContact NE2-CG2 3.14Å
451	D	95.3	Very high	88.9	Confident	21 Å²	21	25.5 Å²	25.5	11%	0.112	14%	0.139	C	C	.	.	S	Bend	trans	-70.7	-35	-176.6	-56.9	-53.2	0	0	0	111.9	I410 S411 V500 K501	I410-D451 VanDerWaalsContact CA-OD2 3.3Å; I410-D451 WeakPolarHBondContact CA-OD2 3.33Å; I410-D451 HydrophobicContact CB-CB 4Å; I410-D451 HydrophobicContact CG2-CB 4.26Å; S411-D451 PolarHBondContact N-OD2 3.17Å; S411-D451 WeakPolarHBondContact O-CB 3.2Å; S411-D451 PolarHBondContact O-N 2.59Å; D451-V500 WeakPolarHBondContact O-CA 3.21Å; D451-V500 WeakPolarHBondContact O-CG2 3.5Å; D451-K501 PolarHBondContact O-N 3.18Å; D451-K501 WeakPolarHBondContact OD1-CE 3.33Å; D451-K501 IonicContact OD1-NZ 2.77Å; D451-K501 PolarHBondContact OD1-NZ 3.45Å
452	L	97.8	Very high	89.2	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.1	172.8	-74.1	165	0	0	0	110.5	I410 S411 I412 F413 H450 V498 L499 V500 F534	I410-L452 HydrophobicContact CD1-CD1 3.87Å; S411-L452 PolarHBondContact O-N 2.85Å; I412-L452 HydrophobicContact CB-CB 4.43Å; I412-L452 HydrophobicContact CD1-CD1 3.99Å; I412-L452 HydrophobicContact CG1-CB 4.26Å; I412-L452 HydrophobicContact CG1-CD1 4.1Å; I412-L452 HydrophobicContact CG2-CB 4.03Å; F413-L452 PolarHBondContact N-O 2.95Å; H450-L452 VanDerWaalsContact C-N 3.34Å; L452-V498 HydrophobicContact CD2-CG1 4.15Å; L452-L499 CarbonylContact C-O 3.59Å; L452-L499 WeakPolarHBondContact CA-O 3.15Å; L452-V500 HydrophobicContact CD2-CB 3.79Å; L452-V500 HydrophobicContact CD2-CG2 3.64Å; L452-V500 HydrophobicContact CG-CG2 4.3Å; L452-F534 HydrophobicContact CD1-CE2 4.09Å; L452-F534 HydrophobicContact CD1-CZ 3.83Å; L452-F534 HydrophobicContact CD2-CE2 4.49Å; L452-F534 HydrophobicContact CD2-CZ 4.03Å
453	Y	98.6	Very high	89.9	Confident	5 Å²	5	27.4 Å²	27.4	2%	0.02	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.5	166.3	-74.7	-100.8	0	0	0	109.8	F413 V432 H450 F455 L475 Y483 L499	F413-Y453 HydrophobicContact CB-CD1 3.46Å; F413-Y453 VanDerWaalsContact CB-CD1 3.46Å; F413-Y453 HydrophobicContact CB-CE1 3.78Å; F413-Y453 HydrophobicContact CB-CG 4Å; F413-Y453 AromaticContact CD1-CD1 3.51Å; F413-Y453 HydrophobicContact CD1-CD1 3.51Å; F413-Y453 HydrophobicContact CD1-CE1 4.29Å; F413-Y453 HydrophobicContact CD1-CG 4.3Å; F413-Y453 HydrophobicContact CD2-CD1 4.29Å; F413-Y453 HydrophobicContact CD2-CE1 4.28Å; F413-Y453 HydrophobicContact CE1-CD1 4.34Å; F413-Y453 AromaticContact CG-CD1 3.48Å; F413-Y453 HydrophobicContact CG-CD1 3.48Å; F413-Y453 VanDerWaalsContact CG-CD1 3.48Å; F413-Y453 AromaticContact CG-CE1 3.86Å; F413-Y453 HydrophobicContact CG-CE1 3.86Å; F413-Y453 HydrophobicContact CG-CG 4.38Å; V432-Y453 HydrophobicContact CG1-CD1 4.47Å; V432-Y453 HydrophobicContact CG1-CE1 3.8Å; H450-Y453 HydrophobicContact CB-CD2 4.19Å; H450-Y453 HydrophobicContact CB-CE1 4.47Å; H450-Y453 HydrophobicContact CB-CE2 3.68Å; H450-Y453 AromaticContact CD2-CE1 3.77Å; H450-Y453 AromaticContact CD2-CZ 3.59Å; H450-Y453 PolarHBondContact CD2-OH 3.2Å; H450-Y453 PolarHBondContact N-OH 3.08Å; H450-Y453 WeakPolarHBondContact O-CE2 3.37Å; Y453-F455 HydrophobicContact CD1-CE2 4.38Å; Y453-F455 AromaticContact CD1-CZ 3.94Å; Y453-F455 HydrophobicContact CD1-CZ 3.94Å; Y453-F455 HydrophobicContact CG-CE2 4.39Å; Y453-F455 HydrophobicContact CG-CZ 4.39Å; Y453-L475 HydrophobicContact CD1-CD2 3.64Å; Y453-L475 HydrophobicContact CD2-CD2 3.75Å; Y453-L475 HydrophobicContact CE1-CD2 3.57Å; Y453-L475 HydrophobicContact CE2-CD2 3.66Å; Y453-L475 HydrophobicContact CG-CD1 4.37Å; Y453-L475 HydrophobicContact CG-CD2 3.74Å; Y453-Y483 HydrophobicContact CD2-CD1 4.08Å; Y453-Y483 AromaticContact CD2-CE1 3.58Å; Y453-Y483 HydrophobicContact CD2-CE1 3.58Å; Y453-Y483 AromaticContact CD2-CZ 3.95Å; Y453-Y483 AromaticContact CE2-CE1 3.75Å; Y453-Y483 HydrophobicContact CE2-CE1 3.75Å; Y453-Y483 HydrophobicContact CE2-CE2 4.32Å; Y453-Y483 AromaticContact CE2-CZ 3.62Å; Y453-L499 PolarHBondContact N-O 3Å; Y453-L499 PolarHBondContact O-N 3.14Å
454	V	98.8	Very high	90.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119	179.5	-177.2	0	0	0	0	109	I412 F413 I414 G415 L496 A497 V498 F543	I412-V454 HydrophobicContact CG2-CG2 4.32Å; F413-V454 PolarHBondContact O-N 3.32Å; I414-V454 CarbonylContact C-O 3.57Å; I414-V454 WeakPolarHBondContact CA-O 3.37Å; I414-V454 HydrophobicContact CG1-CB 4.32Å; G415-V454 PolarHBondContact N-O 3.25Å; V454-L496 HydrophobicContact CG1-CD1 3.52Å; V454-A497 WeakPolarHBondContact CA-O 3.49Å; V454-V498 HydrophobicContact CG1-CG2 4.26Å; V454-V498 HydrophobicContact CG2-CG1 4.36Å; V454-V498 HydrophobicContact CG2-CG2 4.18Å; V454-F543 HydrophobicContact CB-CD1 4.31Å; V454-F543 HydrophobicContact CB-CE1 4.47Å; V454-F543 HydrophobicContact CG1-CB 4.29Å; V454-F543 HydrophobicContact CG1-CD1 3.88Å; V454-F543 HydrophobicContact CG1-CG 4.14Å; V454-F543 HydrophobicContact CG2-CD1 3.87Å; V454-F543 HydrophobicContact CG2-CE1 3.69Å; V454-F543 HydrophobicContact CG2-CE2 4.4Å; V454-F543 HydrophobicContact CG2-CG 4.31Å; V454-F543 HydrophobicContact CG2-CZ 3.98Å
455	F	98.8	Very high	91.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	111.9	179.2	-60.7	-83.8	0	0	0	109.7	F413 W431 V432 Y453 W467 L471 L475 L496 A497 L499	F413-F455 HydrophobicContact CD1-CE1 4.17Å; F413-F455 HydrophobicContact CD1-CZ 4.33Å; F413-F455 AromaticContact CE1-CD1 3.84Å; F413-F455 HydrophobicContact CE1-CD1 3.84Å; F413-F455 AromaticContact CE1-CE1 3.46Å; F413-F455 HydrophobicContact CE1-CE1 3.46Å; F413-F455 VanDerWaalsContact CE1-CE1 3.46Å; F413-F455 HydrophobicContact CE1-CZ 4.05Å; F413-F455 HydrophobicContact CZ-CE1 4.17Å; W431-F455 HydrophobicContact CE3-CD1 4.24Å; W431-F455 HydrophobicContact CE3-CE1 4.33Å; W431-F455 AromaticContact CH2-CD1 3.82Å; W431-F455 HydrophobicContact CH2-CD1 3.82Å; W431-F455 HydrophobicContact CZ2-CD1 4.28Å; W431-F455 AromaticContact CZ3-CD1 3.78Å; W431-F455 HydrophobicContact CZ3-CD1 3.78Å; W431-F455 HydrophobicContact CZ3-CE1 4.3Å; V432-F455 HydrophobicContact CG2-CE1 4.13Å; V432-F455 HydrophobicContact CG2-CZ 4.19Å; Y453-F455 HydrophobicContact CD1-CE2 4.38Å; Y453-F455 AromaticContact CD1-CZ 3.94Å; Y453-F455 HydrophobicContact CD1-CZ 3.94Å; Y453-F455 HydrophobicContact CG-CE2 4.39Å; Y453-F455 HydrophobicContact CG-CZ 4.39Å; F455-W467 HydrophobicContact CB-CH2 4.13Å; F455-W467 HydrophobicContact CB-CZ2 4.05Å; F455-W467 WeakPolarHBondContact O-CH2 3.26Å; F455-L471 HydrophobicContact CB-CD1 3.96Å; F455-L471 HydrophobicContact CD1-CD1 4.49Å; F455-L471 HydrophobicContact CD1-CD2 3.8Å; F455-L471 HydrophobicContact CD2-CD1 3.78Å; F455-L471 HydrophobicContact CD2-CD2 4.14Å; F455-L471 HydrophobicContact CD2-CG 4.41Å; F455-L471 HydrophobicContact CE1-CD2 3.82Å; F455-L471 HydrophobicContact CE2-CB 4.44Å; F455-L471 HydrophobicContact CE2-CD1 4.38Å; F455-L471 HydrophobicContact CE2-CD2 4.14Å; F455-L471 HydrophobicContact CG-CD1 3.83Å; F455-L471 HydrophobicContact CG-CD2 3.97Å; F455-L471 HydrophobicContact CZ-CD2 3.99Å; F455-L475 HydrophobicContact CE2-CD1 4.15Å; F455-L475 HydrophobicContact CZ-CD1 4.46Å; F455-L496 WeakPolarHBondContact O-CA 3.17Å; F455-A497 PolarHBondContact N-O 2.88Å; F455-A497 PolarHBondContact O-N 3.41Å; F455-L499 HydrophobicContact CD2-CD1 3.78Å; F455-L499 HydrophobicContact CE2-CD1 3.98Å
456	G	98.7	Very high	92.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	138.1	160.9	0	0	0	0	0	110.6	G415 T416 W417 K495 N545	G415-G456 PolarHBondContact O-N 2.94Å; T416-G456 WeakPolarHBondContact CA-O 3.3Å; W417-G456 PolarHBondContact N-O 3.3Å; G456-K495 CarbonylContact C-O 3.57Å; G456-K495 WeakPolarHBondContact CA-O 3.06Å; G456-N545 WeakPolarHBondContact CA-ND2 3.4Å
457	S	98.3	Very high	93.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.5	165.8	57.1	0	0	0	0	111.6	W417 N460 W467 I494 K495 N545	W417-S457 VanDerWaalsContact O-CA 3.26Å; W417-S457 WeakPolarHBondContact O-CA 3.38Å; S457-N460 WeakPolarHBondContact OG-CB 3.39Å; S457-N460 PolarHBondContact OG-ND2 3.17Å; S457-W467 WeakPolarHBondContact OG-CH2 3.41Å; S457-W467 WeakPolarHBondContact OG-CZ2 3.46Å; S457-I494 WeakPolarHBondContact O-CA 3.47Å; S457-K495 PolarHBondContact N-O 3.38Å; S457-K495 PolarHBondContact O-N 3.19Å; S457-N545 PolarHBondContact N-ND2 2.88Å; S457-N545 VanDerWaalsContact N-ND2 3.17Å; S457-N545 PolarHBondContact O-ND2 3.3Å
458	Q	98.1	Very high	94.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.1	174	-46.3	77.6	29.9	0	0	108.5	T416 W417 N418 M419 N460 S493 N545 C546 H547 D593	T416-Q458 PolarHBondContact OG1-NE2 2.81Å; W417-Q458 PolarHBondContact O-N 2.8Å; W417-Q458 VanDerWaalsContact O-N 3.11Å; W417-Q458 PolarHBondContact O-OE1 3.36Å; N418-Q458 CarbonylContact C-O 3.42Å; N418-Q458 WeakPolarHBondContact CA-O 3.2Å; N418-Q458 VanDerWaalsContact CA-OE1 3.3Å; N418-Q458 HydrophobicContact CB-CB 4.25Å; M419-Q458 PolarHBondContact N-O 3.18Å; Q458-N460 PolarHBondContact O-N 3.47Å; Q458-N460 VanDerWaalsContact O-N 3.09Å; Q458-S493 CarbonylContact C-O 3.59Å; Q458-S493 WeakPolarHBondContact CA-O 3.31Å; Q458-N545 PolarHBondContact NE2-OD1 2.85Å; Q458-C546 WeakPolarHBondContact CG-O 3.34Å; Q458-H547 HydrophobicContact CB-CB 4.13Å; Q458-H547 HydrophobicContact CG-CB 3.93Å; Q458-D593 HydrophobicContact CB-CB 4.4Å; Q458-D593 HydrophobicContact CG-CB 3.93Å
459	E	96	Very high	95.3	Very high	44 Å²	44	36.6 Å²	36.6	21%	0.206	18%	0.182	C	C	.	.	S	Bend	trans	49.5	32.7	-170.5	-55.3	-154.4	179.4	0	0	114	N418 S421 S461 S493 H547	N418-E459 WeakPolarHBondContact OD1-CB 3.35Å; S421-E459 WeakPolarHBondContact CA-O 3.17Å; S421-E459 PolarHBondContact N-O 2.97Å; S421-E459 PolarHBondContact OG-OE2 3Å; E459-S461 PolarHBondContact O-N 2.78Å; E459-S493 PolarHBondContact N-O 3.13Å; E459-H547 IonicContact OE1-CE1 3.82Å
460	N	94.8	Very high	95.6	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.011	19%	0.193	C	C	.	.			trans	-80.6	108.4	177.4	-174.7	-11	0	0	0	110.6	M419 S457 Q458 V462 W467 S493 K495	M419-N460 HydrophobicContact SD-CB 3.73Å; S457-N460 WeakPolarHBondContact OG-CB 3.39Å; S457-N460 PolarHBondContact OG-ND2 3.17Å; Q458-N460 PolarHBondContact O-N 3.47Å; Q458-N460 VanDerWaalsContact O-N 3.09Å; N460-V462 WeakPolarHBondContact OD1-CB 3.41Å; N460-V462 PolarHBondContact OD1-N 3.17Å; N460-W467 VanDerWaalsContact ND2-CD2 3.27Å; N460-W467 PolarHBondContact ND2-NE1 3.21Å; N460-S493 PolarHBondContact N-O 2.73Å; N460-K495 HydrophobicContact CB-CD 4.17Å; N460-K495 HydrophobicContact CB-CG 4.26Å; N460-K495 WeakPolarHBondContact O-CE 3.37Å
461	S	92.4	Very high	95.6	Very high	72 Å²	72	37.8 Å²	37.8	50%	0.503	19%	0.192	S	C	.	.			trans	-87	-8.8	177.4	51.4	0	0	0	0	114.3	S421 E459	S421-S461 VanDerWaalsContact C-OG 3.3Å; S421-S461 PolarHBondContact O-OG 3.28Å; E459-S461 PolarHBondContact O-N 2.78Å
462	V	92.1	Very high	95.7	Very high	16 Å²	16	39.2 Å²	39.2	10%	0.097	20%	0.196	C	C	.	.	S	Bend	trans	-75	141.7	178.4	-173.2	0	0	0	0	109.9	M419 N460 E466 W467 K495	M419-V462 HydrophobicContact CE-CG2 4.02Å; N460-V462 WeakPolarHBondContact OD1-CB 3.41Å; N460-V462 PolarHBondContact OD1-N 3.17Å; V462-E466 HydrophobicContact CG1-CB 3.93Å; V462-E466 HydrophobicContact CG1-CG 3.67Å; V462-W467 HydrophobicContact CB-CB 4.25Å; V462-W467 HydrophobicContact CG1-CB 4Å; V462-K495 PolarHBondContact O-NZ 3.41Å
463	C	92.6	Very high	95.5	Very high	62 Å²	62	42 Å²	42	42%	0.419	22%	0.218	S	C	.	.			trans	-70.9	147.2	180	77.8	0	0	0	0	111.9	R465 E466 W467	C463-R465 VanDerWaalsContact C-N 3.31Å; C463-R465 PolarHBondContact O-N 3.16Å; C463-E466 WeakPolarHBondContact O-CB 3.43Å; C463-E466 PolarHBondContact O-N 3.03Å; C463-E466 WeakPolarHBondContact SG-CB 3.09Å; C463-E466 PolarHBondContact SG-OE2 2.93Å; C463-E466 VanDerWaalsContact SG-OE2 3.35Å; C463-W467 PolarHBondContact O-N 3.01Å
464	D	93.4	Very high	95.3	Very high	56 Å²	56	42.5 Å²	42.5	30%	0.299	22%	0.222	S	C	.	.	H	α-helix	trans	-55.8	-43	-166.3	-64.5	26.4	0	0	0	113.1	V468 V488 T490 K495	D464-V468 WeakPolarHBondContact O-CB 3.39Å; D464-V468 VanDerWaalsContact O-CG2 3.23Å; D464-V468 WeakPolarHBondContact O-CG2 3.49Å; D464-V468 PolarHBondContact O-N 3.35Å; D464-V488 HydrophobicContact CB-CG1 4.48Å; D464-T490 VanDerWaalsContact OD2-CB 3.24Å; D464-T490 WeakPolarHBondContact OD2-CB 3.33Å; D464-T490 PolarHBondContact OD2-OG1 3.39Å; D464-K495 IonicContact OD1-NZ 3.86Å; D464-K495 PolarHBondContact OD1-NZ 3.09Å
465	R	94.1	Very high	95.1	Very high	215 Å²	215	42.5 Å²	42.5	81%	0.811	22%	0.222	S	C	*	.	H	α-helix	trans	-63	-42	177.3	-175.3	-175.9	66.9	176	-0.3	112.5	C463 E469	C463-R465 VanDerWaalsContact C-N 3.31Å; C463-R465 PolarHBondContact O-N 3.16Å; R465-E469 VanDerWaalsContact O-CB 3.27Å; R465-E469 WeakPolarHBondContact O-CB 3.43Å; R465-E469 PolarHBondContact O-N 3.17Å
466	E	94.1	Very high	94.9	Very high	109 Å²	109	44.9 Å²	44.9	51%	0.509	23%	0.232	S	C	.	.	H	α-helix	trans	-72.8	-40.7	-178.6	177.6	-176.5	-167.7	0	0	111.2	V462 C463 S470	V462-E466 HydrophobicContact CG1-CB 3.93Å; V462-E466 HydrophobicContact CG1-CG 3.67Å; C463-E466 WeakPolarHBondContact O-CB 3.43Å; C463-E466 PolarHBondContact O-N 3.03Å; C463-E466 WeakPolarHBondContact SG-CB 3.09Å; C463-E466 PolarHBondContact SG-OE2 2.93Å; C463-E466 VanDerWaalsContact SG-OE2 3.35Å; E466-S470 VanDerWaalsContact O-CB 3.28Å; E466-S470 WeakPolarHBondContact O-CB 3.48Å; E466-S470 PolarHBondContact O-N 3.07Å; E466-S470 PolarHBondContact O-OG 2.97Å
467	W	94.4	Very high	94.6	Very high	12 Å²	12	50.9 Å²	50.9	5%	0.045	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-48.9	175.2	-177.9	59	0	0	0	111.2	F455 S457 N460 V462 C463 S470 L471 K495 A497	F455-W467 HydrophobicContact CB-CH2 4.13Å; F455-W467 HydrophobicContact CB-CZ2 4.05Å; F455-W467 WeakPolarHBondContact O-CH2 3.26Å; S457-W467 WeakPolarHBondContact OG-CH2 3.41Å; S457-W467 WeakPolarHBondContact OG-CZ2 3.46Å; N460-W467 VanDerWaalsContact ND2-CD2 3.27Å; N460-W467 PolarHBondContact ND2-NE1 3.21Å; V462-W467 HydrophobicContact CB-CB 4.25Å; V462-W467 HydrophobicContact CG1-CB 4Å; C463-W467 PolarHBondContact O-N 3.01Å; W467-S470 PolarHBondContact O-N 2.91Å; W467-L471 HydrophobicContact CD2-CD1 4.01Å; W467-L471 HydrophobicContact CE3-CD1 4.44Å; W467-L471 HydrophobicContact CG-CD1 4.49Å; W467-L471 HydrophobicContact CH2-CD1 4.38Å; W467-L471 HydrophobicContact CZ2-CD1 3.93Å; W467-L471 WeakPolarHBondContact O-CG 3.5Å; W467-L471 PolarHBondContact O-N 3.01Å; W467-K495 HydrophobicContact CE3-CB 4.13Å; W467-K495 HydrophobicContact CE3-CD 4.31Å; W467-K495 HydrophobicContact CH2-CB 3.91Å; W467-K495 HydrophobicContact CZ3-CB 3.54Å; W467-A497 HydrophobicContact CE3-CB 4.45Å; W467-A497 HydrophobicContact CH2-CB 4.08Å; W467-A497 HydrophobicContact CZ3-CB 3.7Å
468	V	95.8	Very high	94.2	Very high	12 Å²	12	53.8 Å²	53.8	7%	0.073	27%	0.274	C	S	.	.	H	α-helix	trans	-65.9	-42	178.4	172.4	0	0	0	0	111.7	D464 S470 L471 R472 P485 V488 A497	D464-V468 WeakPolarHBondContact O-CB 3.39Å; D464-V468 VanDerWaalsContact O-CG2 3.23Å; D464-V468 WeakPolarHBondContact O-CG2 3.49Å; D464-V468 PolarHBondContact O-N 3.35Å; V468-S470 VanDerWaalsContact C-N 3.32Å; V468-S470 PolarHBondContact O-N 3.18Å; V468-L471 PolarHBondContact O-N 3.44Å; V468-R472 HydrophobicContact CG1-CG 4.46Å; V468-R472 WeakPolarHBondContact O-CG 3.16Å; V468-R472 PolarHBondContact O-N 3.01Å; V468-P485 HydrophobicContact CG1-CB 4.18Å; V468-V488 HydrophobicContact CG2-CG1 3.95Å; V468-V488 HydrophobicContact CG2-CG2 3.76Å; V468-A497 HydrophobicContact CG2-CB 4.1Å
469	E	94.8	Very high	93.7	Very high	103 Å²	103	54.5 Å²	54.5	48%	0.481	28%	0.278	S	S	.	.	H	α-helix	trans	-68.7	-32.5	177.7	-161.4	63.2	-171.1	0	0	112.2	R465 R472 A473	R465-E469 VanDerWaalsContact O-CB 3.27Å; R465-E469 WeakPolarHBondContact O-CB 3.43Å; R465-E469 PolarHBondContact O-N 3.17Å; E469-R472 PolarHBondContact O-N 3.17Å; E469-R472 IonicContact OE1-NH1 2.69Å; E469-R472 PolarHBondContact OE1-NH1 2.93Å; E469-R472 IonicContact OE2-CZ 3.91Å; E469-R472 IonicContact OE2-NH1 2.66Å; E469-R472 PolarHBondContact OE2-NH1 2.79Å; E469-A473 WeakPolarHBondContact O-CB 3.38Å; E469-A473 PolarHBondContact O-N 2.95Å
470	S	94.4	Very high	93.4	Very high	58 Å²	58	55.6 Å²	55.6	41%	0.406	28%	0.283	S	S	.	.	H	α-helix	trans	-64	-44	171	-59	0	0	0	0	111.8	E466 W467 V468 A473 V474	E466-S470 VanDerWaalsContact O-CB 3.28Å; E466-S470 WeakPolarHBondContact O-CB 3.48Å; E466-S470 PolarHBondContact O-N 3.07Å; E466-S470 PolarHBondContact O-OG 2.97Å; W467-S470 PolarHBondContact O-N 2.91Å; V468-S470 VanDerWaalsContact C-N 3.32Å; V468-S470 PolarHBondContact O-N 3.18Å; S470-A473 PolarHBondContact O-N 2.68Å; S470-V474 WeakPolarHBondContact O-CG2 3.34Å; S470-V474 PolarHBondContact O-N 3.1Å
471	L	95.3	Very high	93.3	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-42.8	174.1	-69.6	169.4	0	0	0	111.5	W431 F455 W467 V468 V474 L475	W431-L471 HydrophobicContact CZ3-CD2 4.49Å; F455-L471 HydrophobicContact CB-CD1 3.96Å; F455-L471 HydrophobicContact CD1-CD1 4.49Å; F455-L471 HydrophobicContact CD1-CD2 3.8Å; F455-L471 HydrophobicContact CD2-CD1 3.78Å; F455-L471 HydrophobicContact CD2-CD2 4.14Å; F455-L471 HydrophobicContact CD2-CG 4.41Å; F455-L471 HydrophobicContact CE1-CD2 3.82Å; F455-L471 HydrophobicContact CE2-CB 4.44Å; F455-L471 HydrophobicContact CE2-CD1 4.38Å; F455-L471 HydrophobicContact CE2-CD2 4.14Å; F455-L471 HydrophobicContact CG-CD1 3.83Å; F455-L471 HydrophobicContact CG-CD2 3.97Å; F455-L471 HydrophobicContact CZ-CD2 3.99Å; W467-L471 HydrophobicContact CD2-CD1 4.01Å; W467-L471 HydrophobicContact CE3-CD1 4.44Å; W467-L471 HydrophobicContact CG-CD1 4.49Å; W467-L471 HydrophobicContact CH2-CD1 4.38Å; W467-L471 HydrophobicContact CZ2-CD1 3.93Å; W467-L471 WeakPolarHBondContact O-CG 3.5Å; W467-L471 PolarHBondContact O-N 3.01Å; V468-L471 PolarHBondContact O-N 3.44Å; L471-V474 PolarHBondContact O-N 2.86Å; L471-L475 WeakPolarHBondContact O-CB 3.39Å; L471-L475 VanDerWaalsContact O-CG 3.31Å; L471-L475 WeakPolarHBondContact O-CG 3.37Å; L471-L475 PolarHBondContact O-N 3.12Å
472	R	95.9	Very high	93.4	Very high	52 Å²	52	57.9 Å²	57.9	20%	0.196	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-40.1	175.1	-71.7	-179.1	71.7	-106.1	-13.2	112.2	V468 E469 K476 Y483 L499	V468-R472 HydrophobicContact CG1-CG 4.46Å; V468-R472 WeakPolarHBondContact O-CG 3.16Å; V468-R472 PolarHBondContact O-N 3.01Å; E469-R472 PolarHBondContact O-N 3.17Å; E469-R472 IonicContact OE1-NH1 2.69Å; E469-R472 PolarHBondContact OE1-NH1 2.93Å; E469-R472 IonicContact OE2-CZ 3.91Å; E469-R472 IonicContact OE2-NH1 2.66Å; E469-R472 PolarHBondContact OE2-NH1 2.79Å; R472-K476 WeakPolarHBondContact O-CB 3.15Å; R472-K476 PolarHBondContact O-N 3.49Å; R472-Y483 PolarHBondContact NE-O 3.22Å; R472-L499 HydrophobicContact CG-CD2 3.43Å; R472-L499 VanDerWaalsContact CG-CD2 3.43Å
473	A	94.8	Very high	93.6	Very high	57 Å²	57	57.2 Å²	57.2	47%	0.471	29%	0.285	S	S	.	.	H	α-helix	trans	-64.6	-46.1	177	0	0	0	0	0	112.1	E469 S470 K476 E477	E469-A473 WeakPolarHBondContact O-CB 3.38Å; E469-A473 PolarHBondContact O-N 2.95Å; S470-A473 PolarHBondContact O-N 2.68Å; A473-K476 PolarHBondContact O-N 2.95Å; A473-E477 WeakPolarHBondContact O-CB 3.46Å; A473-E477 PolarHBondContact O-N 2.9Å
474	V	94	Very high	93.8	Very high	17 Å²	17	57.4 Å²	57.4	10%	0.103	28%	0.279	C	S	.	.	H	α-helix	trans	-64.2	-45.1	175.8	175.5	0	0	0	0	110.8	V428 V432 S470 L471 K476 E477 Q478	V428-V474 HydrophobicContact CG2-CG1 4.36Å; V428-V474 HydrophobicContact CG2-CG2 4.21Å; V432-V474 HydrophobicContact CB-CG1 4.49Å; V432-V474 HydrophobicContact CG2-CG1 3.96Å; S470-V474 WeakPolarHBondContact O-CG2 3.34Å; S470-V474 PolarHBondContact O-N 3.1Å; L471-V474 PolarHBondContact O-N 2.86Å; V474-K476 VanDerWaalsContact C-N 3.29Å; V474-K476 PolarHBondContact O-N 2.88Å; V474-E477 PolarHBondContact O-N 2.9Å; V474-Q478 HydrophobicContact CG1-CG 4.21Å; V474-Q478 WeakPolarHBondContact O-CG 3.37Å; V474-Q478 PolarHBondContact O-N 3.21Å
475	L	94.4	Very high	94	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.7	-43.5	174.2	-76.2	168.2	0	0	0	111.6	V432 Y453 F455 L471 E477 Q478 T479 Y483 L499	V432-L475 HydrophobicContact CG1-CD2 3.68Å; Y453-L475 HydrophobicContact CD1-CD2 3.64Å; Y453-L475 HydrophobicContact CD2-CD2 3.75Å; Y453-L475 HydrophobicContact CE1-CD2 3.57Å; Y453-L475 HydrophobicContact CE2-CD2 3.66Å; Y453-L475 HydrophobicContact CG-CD1 4.37Å; Y453-L475 HydrophobicContact CG-CD2 3.74Å; F455-L475 HydrophobicContact CE2-CD1 4.15Å; F455-L475 HydrophobicContact CZ-CD1 4.46Å; L471-L475 WeakPolarHBondContact O-CB 3.39Å; L471-L475 VanDerWaalsContact O-CG 3.31Å; L471-L475 WeakPolarHBondContact O-CG 3.37Å; L471-L475 PolarHBondContact O-N 3.12Å; L475-E477 PolarHBondContact O-N 2.94Å; L475-Q478 PolarHBondContact O-N 2.94Å; L475-T479 WeakPolarHBondContact O-CB 3.44Å; L475-T479 WeakPolarHBondContact O-CG2 3.4Å; L475-T479 PolarHBondContact O-N 2.91Å; L475-T479 PolarHBondContact O-OG1 2.95Å; L475-Y483 HydrophobicContact CB-CD2 3.85Å; L475-Y483 HydrophobicContact CB-CE2 4.45Å; L475-Y483 HydrophobicContact CB-CG 4.42Å; L475-Y483 HydrophobicContact CD1-CD2 4.23Å; L475-Y483 HydrophobicContact CD1-CG 4Å; L475-Y483 HydrophobicContact CD2-CD2 4.44Å; L475-Y483 HydrophobicContact CD2-CE2 4.46Å; L475-Y483 HydrophobicContact CG-CD2 4.41Å; L475-L499 HydrophobicContact CD1-CD2 4.15Å
476	K	94	Very high	94	Very high	49 Å²	49	49.3 Å²	49.3	21%	0.213	26%	0.255	C	S	.	.	H	α-helix	trans	-65.2	-36.8	178.5	-177.6	58.7	173.8	-172.5	0	112.8	R472 A473 V474 E480 L481 D482	R472-K476 WeakPolarHBondContact O-CB 3.15Å; R472-K476 PolarHBondContact O-N 3.49Å; A473-K476 PolarHBondContact O-N 2.95Å; V474-K476 VanDerWaalsContact C-N 3.29Å; V474-K476 PolarHBondContact O-N 2.88Å; K476-E480 PolarHBondContact NZ-O 3.36Å; K476-E480 WeakPolarHBondContact O-CA 3.33Å; K476-E480 PolarHBondContact O-N 3.38Å; K476-L481 WeakPolarHBondContact CD-O 3.44Å; K476-D482 VanDerWaalsContact CD-OD1 3.22Å; K476-D482 WeakPolarHBondContact CD-OD1 3.27Å; K476-D482 WeakPolarHBondContact CE-OD1 3.42Å; K476-D482 IonicContact NZ-OD1 3.22Å; K476-D482 PolarHBondContact NZ-OD1 2.57Å; K476-D482 VanDerWaalsContact NZ-OD1 3.1Å; K476-D482 IonicContact NZ-OD2 3.78Å; K476-D482 PolarHBondContact NZ-OD2 2.91Å
477	E	92.2	Very high	94.1	Very high	126 Å²	126	44.4 Å²	44.4	59%	0.589	23%	0.233	S	C	*	.	H	α-helix	trans	-65.8	-49.1	174.5	-172.4	-165.3	-173.3	0	0	111.5	A473 V474 L475	A473-E477 WeakPolarHBondContact O-CB 3.46Å; A473-E477 PolarHBondContact O-N 2.9Å; V474-E477 PolarHBondContact O-N 2.9Å; L475-E477 PolarHBondContact O-N 2.94Å
478	Q	89.9	Confident	94.3	Very high	62 Å²	62	46.1 Å²	46.1	29%	0.29	25%	0.245	S	C	.	.	H	α-helix	trans	-79.1	-29.8	-173.1	-57.7	-48.2	-51.6	0	0	113.6	A429 L433 V474 L475	A429-Q478 HydrophobicContact CB-CG 4.21Å; L433-Q478 HydrophobicContact CD2-CB 4.25Å; V474-Q478 HydrophobicContact CG1-CG 4.21Å; V474-Q478 WeakPolarHBondContact O-CG 3.37Å; V474-Q478 PolarHBondContact O-N 3.21Å; L475-Q478 PolarHBondContact O-N 2.94Å
479	T	89	Confident	94.4	Very high	14 Å²	14	47.5 Å²	47.5	9%	0.086	25%	0.25	C	S	.	.	H	α-helix	trans	-115.3	-12.6	-172.5	72	0	0	0	0	115	P449 L475 L481 Y483	P449-T479 HydrophobicContact CB-CG2 3.83Å; P449-T479 HydrophobicContact CG-CG2 4.13Å; L475-T479 WeakPolarHBondContact O-CB 3.44Å; L475-T479 WeakPolarHBondContact O-CG2 3.4Å; L475-T479 PolarHBondContact O-N 2.91Å; L475-T479 PolarHBondContact O-OG1 2.95Å; T479-L481 PolarHBondContact O-N 2.93Å; T479-L481 VanDerWaalsContact O-N 3.17Å; T479-L481 PolarHBondContact OG1-N 3.11Å; T479-Y483 HydrophobicContact CG2-CE2 4.19Å; T479-Y483 WeakPolarHBondContact OG1-CE2 3.45Å
480	E	90.1	Very high	94.5	Very high	68 Å²	68	44.1 Å²	44.1	32%	0.318	24%	0.237	S	C	.	.	S	Bend	trans	64.1	4	-171.6	-58.2	171.7	163.8	0	0	115.5	S290 K291 K476	S290-E480 WeakPolarHBondContact CA-OE2 3.23Å; K291-E480 PolarHBondContact N-OE2 2.95Å; K291-E480 IonicContact NZ-OE1 3.61Å; K291-E480 PolarHBondContact NZ-OE1 2.89Å; K476-E480 PolarHBondContact NZ-O 3.36Å; K476-E480 WeakPolarHBondContact O-CA 3.33Å; K476-E480 PolarHBondContact O-N 3.38Å
481	L	91.3	Very high	94.5	Very high	41 Å²	41	42.1 Å²	42.1	22%	0.215	22%	0.222	C	C	.	.			trans	-100.5	141.9	-179.9	-58.8	175.5	0	0	0	113	P449 K476 T479 Y483 K501	P449-L481 HydrophobicContact CB-CD1 4.04Å; P449-L481 HydrophobicContact CG-CD1 4.2Å; K476-L481 WeakPolarHBondContact CD-O 3.44Å; T479-L481 PolarHBondContact O-N 2.93Å; T479-L481 VanDerWaalsContact O-N 3.17Å; T479-L481 PolarHBondContact OG1-N 3.11Å; L481-Y483 HydrophobicContact CB-CD2 4.09Å; L481-Y483 HydrophobicContact CB-CE2 3.75Å; L481-Y483 HydrophobicContact CD1-CE2 4.22Å; L481-Y483 PolarHBondContact O-N 2.87Å; L481-K501 HydrophobicContact CD1-CD 4.39Å; L481-K501 HydrophobicContact CD1-CG 4.22Å
482	D	94.3	Very high	94.4	Very high	81 Å²	81	47.1 Å²	47.1	43%	0.433	24%	0.24	S	C	.	.			trans	-87.6	75.5	177.3	-61.6	-67.9	0	0	0	111.6	K476 K484 P502	K476-D482 VanDerWaalsContact CD-OD1 3.22Å; K476-D482 WeakPolarHBondContact CD-OD1 3.27Å; K476-D482 WeakPolarHBondContact CE-OD1 3.42Å; K476-D482 IonicContact NZ-OD1 3.22Å; K476-D482 PolarHBondContact NZ-OD1 2.57Å; K476-D482 VanDerWaalsContact NZ-OD1 3.1Å; K476-D482 IonicContact NZ-OD2 3.78Å; K476-D482 PolarHBondContact NZ-OD2 2.91Å; D482-K484 PolarHBondContact O-N 2.66Å; D482-P502 WeakPolarHBondContact O-CG 3.2Å
483	Y	97.1	Very high	94.3	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-52.1	138.2	-178.8	-80.8	-96.5	0	0	0	113.2	P449 H450 Y453 R472 L475 T479 L481 V500 K501	P449-Y483 WeakPolarHBondContact CB-OH 3.42Å; H450-Y483 WeakPolarHBondContact O-CE1 3.06Å; H450-Y483 PolarHBondContact O-OH 3.38Å; Y453-Y483 HydrophobicContact CD2-CD1 4.08Å; Y453-Y483 AromaticContact CD2-CE1 3.58Å; Y453-Y483 HydrophobicContact CD2-CE1 3.58Å; Y453-Y483 AromaticContact CD2-CZ 3.95Å; Y453-Y483 AromaticContact CE2-CE1 3.75Å; Y453-Y483 HydrophobicContact CE2-CE1 3.75Å; Y453-Y483 HydrophobicContact CE2-CE2 4.32Å; Y453-Y483 AromaticContact CE2-CZ 3.62Å; R472-Y483 PolarHBondContact NE-O 3.22Å; L475-Y483 HydrophobicContact CB-CD2 3.85Å; L475-Y483 HydrophobicContact CB-CE2 4.45Å; L475-Y483 HydrophobicContact CB-CG 4.42Å; L475-Y483 HydrophobicContact CD1-CD2 4.23Å; L475-Y483 HydrophobicContact CD1-CG 4Å; L475-Y483 HydrophobicContact CD2-CD2 4.44Å; L475-Y483 HydrophobicContact CD2-CE2 4.46Å; L475-Y483 HydrophobicContact CG-CD2 4.41Å; T479-Y483 HydrophobicContact CG2-CE2 4.19Å; T479-Y483 WeakPolarHBondContact OG1-CE2 3.45Å; L481-Y483 HydrophobicContact CB-CD2 4.09Å; L481-Y483 HydrophobicContact CB-CE2 3.75Å; L481-Y483 HydrophobicContact CD1-CE2 4.22Å; L481-Y483 PolarHBondContact O-N 2.87Å; Y483-V500 WeakPolarHBondContact CA-O 3.49Å; Y483-V500 WeakPolarHBondContact CD1-O 3.22Å; Y483-K501 HydrophobicContact CE1-CB 4.42Å; Y483-K501 HydrophobicContact CE1-CG 3.67Å; Y483-K501 WeakPolarHBondContact OH-CG 3.19Å
484	K	96.2	Very high	94.4	Very high	67 Å²	67	43 Å²	43	29%	0.291	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.5	-178.6	-64	-58.2	-162.6	70	0	110.1	D482 I486 L499 V500 P502 E505	D482-K484 PolarHBondContact O-N 2.66Å; K484-I486 PolarHBondContact O-N 2.86Å; K484-L499 CarbonylContact O-C 3.6Å; K484-L499 VanDerWaalsContact O-CA 3.25Å; K484-L499 WeakPolarHBondContact O-CA 3.16Å; K484-V500 HydrophobicContact CB-CG1 4.12Å; K484-V500 PolarHBondContact N-O 2.9Å; K484-V500 PolarHBondContact O-N 2.82Å; K484-P502 HydrophobicContact CG-CG 4.38Å; K484-E505 IonicContact NZ-OE1 2.94Å; K484-E505 PolarHBondContact NZ-OE1 3.19Å; K484-E505 IonicContact NZ-OE2 2.93Å; K484-E505 PolarHBondContact NZ-OE2 2.84Å
485	P	97.3	Very high	94.6	Very high	62 Å²	62	42.7 Å²	42.7	40%	0.403	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	122.3	172	30	-31.6	0	0	0	109.9	V468 V498 L499	V468-P485 HydrophobicContact CG1-CB 4.18Å; P485-V498 WeakPolarHBondContact CA-O 3.12Å; P485-L499 HydrophobicContact CB-CG 4.43Å
486	I	94.4	Very high	94.8	Very high	38 Å²	38	42.7 Å²	42.7	20%	0.195	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-41.4	176.3	-70	-56.8	0	0	0	111.1	K484 V498 V500 I508 V511 F534	K484-I486 PolarHBondContact O-N 2.86Å; I486-V498 HydrophobicContact CB-CG1 4.25Å; I486-V498 PolarHBondContact N-O 2.85Å; I486-V500 HydrophobicContact CD1-CG1 3.65Å; I486-V500 HydrophobicContact CG1-CB 3.98Å; I486-V500 HydrophobicContact CG1-CG1 3.62Å; I486-I508 HydrophobicContact CD1-CB 4.15Å; I486-I508 HydrophobicContact CD1-CG1 3.9Å; I486-I508 HydrophobicContact CD1-CG2 4.11Å; I486-I508 HydrophobicContact CG1-CG1 4.24Å; I486-I508 HydrophobicContact CG1-CG2 4.47Å; I486-I508 HydrophobicContact CG2-CG2 3.88Å; I486-V511 HydrophobicContact CG2-CG1 4.18Å; I486-V511 HydrophobicContact CG2-CG2 3.89Å; I486-F534 HydrophobicContact CG2-CD1 4.49Å
487	A	96.9	Very high	95	Very high	6 Å²	6	40.3 Å²	40.3	5%	0.05	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	146.4	-176	0	0	0	0	0	110.4	A497 V498 V511 M513 V532	A487-A497 WeakPolarHBondContact O-CA 3.18Å; A487-V498 PolarHBondContact O-N 2.86Å; A487-V511 HydrophobicContact CB-CG1 4.08Å; A487-M513 HydrophobicContact CB-CG 4.17Å; A487-M513 HydrophobicContact CB-SD 3.74Å; A487-V532 HydrophobicContact CB-CB 4.32Å; A487-V532 HydrophobicContact CB-CG1 3.51Å; A487-V532 HydrophobicContact CB-CG2 3.77Å
488	V	97.9	Very high	95.3	Very high	48 Å²	48	34.3 Å²	34.3	29%	0.291	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	112	173.1	-172.6	0	0	0	0	107.1	D464 V468 L496 A497	D464-V488 HydrophobicContact CB-CG1 4.48Å; V468-V488 HydrophobicContact CG2-CG1 3.95Å; V468-V488 HydrophobicContact CG2-CG2 3.76Å; V488-L496 CarbonylContact C-O 3.59Å; V488-L496 WeakPolarHBondContact CA-O 3.48Å; V488-A497 HydrophobicContact CG2-CB 4.4Å
489	Q	98	Very high	95.7	Very high	41 Å²	41	31.4 Å²	31.4	19%	0.192	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.6	179	-177.8	61	70.5	0	0	110.3	K495 L496 M513 S514 V530 V532	Q489-K495 CarbonylContact O-C 3.31Å; Q489-K495 WeakPolarHBondContact O-CA 3.34Å; Q489-L496 PolarHBondContact N-O 3Å; Q489-L496 PolarHBondContact O-N 3.15Å; Q489-M513 HydrophobicContact CB-CB 4.36Å; Q489-M513 HydrophobicContact CB-SD 4.4Å; Q489-M513 HydrophobicContact CG-CB 4.44Å; Q489-S514 WeakPolarHBondContact CG-O 3.33Å; Q489-V530 HydrophobicContact CB-CB 4.29Å; Q489-V530 HydrophobicContact CG-CB 3.8Å; Q489-V530 HydrophobicContact CG-CG1 3.92Å; Q489-V532 HydrophobicContact CB-CG2 4.32Å
490	T	97.2	Very high	96.1	Very high	33 Å²	33	30.7 Å²	30.7	20%	0.202	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	143.8	-177.7	-69.8	0	0	0	0	110.6	D464 W492 I494 K495	D464-T490 VanDerWaalsContact OD2-CB 3.24Å; D464-T490 WeakPolarHBondContact OD2-CB 3.33Å; D464-T490 PolarHBondContact OD2-OG1 3.39Å; T490-W492 WeakPolarHBondContact CG2-O 3.49Å; T490-I494 CarbonylContact C-O 3.58Å; T490-I494 WeakPolarHBondContact CA-O 3.35Å; T490-K495 HydrophobicContact CG2-CD 4.12Å; T490-K495 HydrophobicContact CG2-CG 3.99Å; T490-K495 WeakPolarHBondContact OG1-CG 3.35Å
491	L	94.9	Very high	96.4	Very high	16 Å²	16	28.6 Å²	28.6	8%	0.084	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	107.4	169	177.3	65.4	0	0	0	107.8	S493 I494 V516 K517 V530	L491-S493 PolarHBondContact O-N 2.92Å; L491-I494 PolarHBondContact N-O 3.06Å; L491-I494 WeakPolarHBondContact O-CB 3.45Å; L491-I494 PolarHBondContact O-N 2.6Å; L491-V516 VanDerWaalsContact CD2-O 3.23Å; L491-V516 WeakPolarHBondContact CD2-O 3.12Å; L491-K517 HydrophobicContact CD1-CG 4.03Å; L491-K517 HydrophobicContact CD2-CG 4.12Å; L491-V530 HydrophobicContact CB-CG1 3.47Å; L491-V530 VanDerWaalsContact CB-CG1 3.47Å
492	W	92.3	Very high	96.3	Very high	110 Å²	110	29 Å²	29	42%	0.417	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	-108	-167.8	-57.8	-70.4	0	0	0	111.8	T490 K517 G525	T490-W492 WeakPolarHBondContact CG2-O 3.49Å; W492-K517 HydrophobicContact CH2-CB 3.94Å; W492-K517 HydrophobicContact CH2-CD 3.49Å; W492-K517 VanDerWaalsContact CH2-CD 3.49Å; W492-K517 HydrophobicContact CH2-CG 3.47Å; W492-K517 VanDerWaalsContact CH2-CG 3.47Å; W492-K517 HydrophobicContact CZ2-CD 3.88Å; W492-K517 HydrophobicContact CZ2-CG 4.3Å; W492-K517 HydrophobicContact CZ3-CB 4.23Å; W492-K517 HydrophobicContact CZ3-CD 4.26Å; W492-K517 HydrophobicContact CZ3-CG 3.76Å; W492-G525 WeakPolarHBondContact CH2-O 3.34Å; W492-G525 WeakPolarHBondContact CZ3-O 3.49Å
493	S	93.4	Very high	95.9	Very high	22 Å²	22	30.5 Å²	30.5	15%	0.154	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	11.6	179	59.2	0	0	0	0	113.5	Q458 E459 N460 L491	Q458-S493 CarbonylContact C-O 3.59Å; Q458-S493 WeakPolarHBondContact CA-O 3.31Å; E459-S493 PolarHBondContact N-O 3.13Å; N460-S493 PolarHBondContact N-O 2.73Å; L491-S493 PolarHBondContact O-N 2.92Å
494	I	97.7	Very high	95.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	123	170.7	-43.6	173.9	0	0	0	107.6	S457 T490 L491 G528 V530 H547	S457-I494 WeakPolarHBondContact O-CA 3.47Å; T490-I494 CarbonylContact C-O 3.58Å; T490-I494 WeakPolarHBondContact CA-O 3.35Å; L491-I494 PolarHBondContact N-O 3.06Å; L491-I494 WeakPolarHBondContact O-CB 3.45Å; L491-I494 PolarHBondContact O-N 2.6Å; I494-G528 WeakPolarHBondContact CD1-O 3.12Å; I494-V530 HydrophobicContact CG2-CG2 4.07Å; I494-H547 HydrophobicContact CD1-CB 3.66Å; I494-H547 HydrophobicContact CG1-CB 3.88Å
495	K	98.3	Very high	95.3	Very high	11 Å²	11	31.7 Å²	31.7	5%	0.048	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	142.8	-173.7	-44.3	-164.3	-179.9	-166.1	0	112.1	G456 S457 N460 V462 D464 W467 Q489 T490 N545	G456-K495 CarbonylContact C-O 3.57Å; G456-K495 WeakPolarHBondContact CA-O 3.06Å; S457-K495 PolarHBondContact N-O 3.38Å; S457-K495 PolarHBondContact O-N 3.19Å; N460-K495 HydrophobicContact CB-CD 4.17Å; N460-K495 HydrophobicContact CB-CG 4.26Å; N460-K495 WeakPolarHBondContact O-CE 3.37Å; V462-K495 PolarHBondContact O-NZ 3.41Å; D464-K495 IonicContact OD1-NZ 3.86Å; D464-K495 PolarHBondContact OD1-NZ 3.09Å; W467-K495 HydrophobicContact CE3-CB 4.13Å; W467-K495 HydrophobicContact CE3-CD 4.31Å; W467-K495 HydrophobicContact CH2-CB 3.91Å; W467-K495 HydrophobicContact CZ3-CB 3.54Å; Q489-K495 CarbonylContact O-C 3.31Å; Q489-K495 WeakPolarHBondContact O-CA 3.34Å; T490-K495 HydrophobicContact CG2-CD 4.12Å; T490-K495 HydrophobicContact CG2-CG 3.99Å; T490-K495 WeakPolarHBondContact OG1-CG 3.35Å; K495-N545 PolarHBondContact O-ND2 2.84Å
496	L	98.7	Very high	94.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	117	176.9	178.3	59.6	0	0	0	109.3	V454 F455 V488 Q489 V530 V532 F543 N545	V454-L496 HydrophobicContact CG1-CD1 3.52Å; F455-L496 WeakPolarHBondContact O-CA 3.17Å; V488-L496 CarbonylContact C-O 3.59Å; V488-L496 WeakPolarHBondContact CA-O 3.48Å; Q489-L496 PolarHBondContact N-O 3Å; Q489-L496 PolarHBondContact O-N 3.15Å; L496-V530 HydrophobicContact CB-CB 4.44Å; L496-V530 HydrophobicContact CB-CG2 3.53Å; L496-V532 HydrophobicContact CD2-CB 4.13Å; L496-V532 HydrophobicContact CD2-CG2 3.89Å; L496-V532 HydrophobicContact CG-CG2 4.09Å; L496-F543 HydrophobicContact CD2-CB 4.11Å; L496-F543 WeakPolarHBondContact CD2-O 3.49Å; L496-N545 HydrophobicContact CB-CB 4.14Å; L496-N545 HydrophobicContact CD1-CB 4.19Å; L496-N545 HydrophobicContact CD2-CB 4.36Å; L496-N545 HydrophobicContact CG-CB 4.48Å
497	A	98.6	Very high	94.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132	174.2	0	0	0	0	0	110.1	V454 F455 W467 V468 A487 V488 L499	V454-A497 WeakPolarHBondContact CA-O 3.49Å; F455-A497 PolarHBondContact N-O 2.88Å; F455-A497 PolarHBondContact O-N 3.41Å; W467-A497 HydrophobicContact CE3-CB 4.45Å; W467-A497 HydrophobicContact CH2-CB 4.08Å; W467-A497 HydrophobicContact CZ3-CB 3.7Å; V468-A497 HydrophobicContact CG2-CB 4.1Å; A487-A497 WeakPolarHBondContact O-CA 3.18Å; V488-A497 HydrophobicContact CG2-CB 4.4Å; A497-L499 HydrophobicContact CB-CD1 4.08Å
498	V	98.6	Very high	94.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.1	172.2	178.6	0	0	0	0	108.7	L452 V454 P485 I486 A487 V532 F534	L452-V498 HydrophobicContact CD2-CG1 4.15Å; V454-V498 HydrophobicContact CG1-CG2 4.26Å; V454-V498 HydrophobicContact CG2-CG1 4.36Å; V454-V498 HydrophobicContact CG2-CG2 4.18Å; P485-V498 WeakPolarHBondContact CA-O 3.12Å; I486-V498 HydrophobicContact CB-CG1 4.25Å; I486-V498 PolarHBondContact N-O 2.85Å; A487-V498 PolarHBondContact O-N 2.86Å; V498-V532 HydrophobicContact CG2-CB 4.11Å; V498-V532 HydrophobicContact CG2-CG1 3.82Å; V498-V532 HydrophobicContact CG2-CG2 4.35Å; V498-F534 HydrophobicContact CG1-CE1 3.81Å; V498-F534 HydrophobicContact CG1-CZ 4.25Å
499	L	98.5	Very high	93.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145	177.7	-61	94.6	0	0	0	110.7	L452 Y453 F455 R472 L475 K484 P485 A497	L452-L499 CarbonylContact C-O 3.59Å; L452-L499 WeakPolarHBondContact CA-O 3.15Å; Y453-L499 PolarHBondContact N-O 3Å; Y453-L499 PolarHBondContact O-N 3.14Å; F455-L499 HydrophobicContact CD2-CD1 3.78Å; F455-L499 HydrophobicContact CE2-CD1 3.98Å; R472-L499 HydrophobicContact CG-CD2 3.43Å; R472-L499 VanDerWaalsContact CG-CD2 3.43Å; L475-L499 HydrophobicContact CD1-CD2 4.15Å; K484-L499 CarbonylContact O-C 3.6Å; K484-L499 VanDerWaalsContact O-CA 3.25Å; K484-L499 WeakPolarHBondContact O-CA 3.16Å; P485-L499 HydrophobicContact CB-CG 4.43Å; A497-L499 HydrophobicContact CB-CD1 4.08Å
500	V	97.6	Very high	93.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	153.9	-176.9	75.6	0	0	0	0	111.8	D451 L452 Y483 K484 I486 H504	D451-V500 WeakPolarHBondContact O-CA 3.21Å; D451-V500 WeakPolarHBondContact O-CG2 3.5Å; L452-V500 HydrophobicContact CD2-CB 3.79Å; L452-V500 HydrophobicContact CD2-CG2 3.64Å; L452-V500 HydrophobicContact CG-CG2 4.3Å; Y483-V500 WeakPolarHBondContact CA-O 3.49Å; Y483-V500 WeakPolarHBondContact CD1-O 3.22Å; K484-V500 HydrophobicContact CB-CG1 4.12Å; K484-V500 PolarHBondContact N-O 2.9Å; K484-V500 PolarHBondContact O-N 2.82Å; I486-V500 HydrophobicContact CD1-CG1 3.65Å; I486-V500 HydrophobicContact CG1-CB 3.98Å; I486-V500 HydrophobicContact CG1-CG1 3.62Å; V500-H504 HydrophobicContact CG2-CB 3.79Å
501	K	95.1	Very high	93.1	Very high	23 Å²	23	44.2 Å²	44.2	10%	0.1	22%	0.221	C	C	.	.			trans	-58.7	141	165.4	-70.5	178.8	-179	164.8	0	110.7	P449 H450 D451 L481 Y483 E503 H504	P449-K501 WeakPolarHBondContact O-CE 3.44Å; P449-K501 PolarHBondContact O-NZ 3.06Å; H450-K501 WeakPolarHBondContact O-CE 3.3Å; D451-K501 PolarHBondContact O-N 3.18Å; D451-K501 WeakPolarHBondContact OD1-CE 3.33Å; D451-K501 IonicContact OD1-NZ 2.77Å; D451-K501 PolarHBondContact OD1-NZ 3.45Å; L481-K501 HydrophobicContact CD1-CD 4.39Å; L481-K501 HydrophobicContact CD1-CG 4.22Å; Y483-K501 HydrophobicContact CE1-CB 4.42Å; Y483-K501 HydrophobicContact CE1-CG 3.67Å; Y483-K501 WeakPolarHBondContact OH-CG 3.19Å; K501-E503 HydrophobicContact CB-CG 4Å; K501-E503 HydrophobicContact CD-CG 4.47Å; K501-E503 PolarHBondContact O-N 2.83Å; K501-E503 VanDerWaalsContact O-N 3.11Å; K501-H504 PolarHBondContact O-N 3.34Å
502	P	89.7	Confident	93.1	Very high	51 Å²	51	44.5 Å²	44.5	33%	0.331	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-52.4	-34.5	177.4	-28.9	35.8	0	0	0	114.7	D482 K484 H504 E505	D482-P502 WeakPolarHBondContact O-CG 3.2Å; K484-P502 HydrophobicContact CG-CG 4.38Å; P502-H504 PolarHBondContact O-N 2.88Å; P502-E505 VanDerWaalsContact O-CB 3.31Å; P502-E505 WeakPolarHBondContact O-CB 3.08Å; P502-E505 PolarHBondContact O-N 2.84Å; P502-E505 VanDerWaalsContact O-N 3.17Å
503	E	86.3	Confident	93.3	Very high	112 Å²	112	43.7 Å²	43.7	52%	0.523	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-67.3	-14.5	-179.5	70.1	-160.6	-119.9	0	0	115	K501 R507	K501-E503 HydrophobicContact CB-CG 4Å; K501-E503 HydrophobicContact CD-CG 4.47Å; K501-E503 PolarHBondContact O-N 2.83Å; K501-E503 VanDerWaalsContact O-N 3.11Å; E503-R507 PolarHBondContact O-NH1 2.86Å
504	H	90.6	Very high	93.5	Very high	13 Å²	13	43.7 Å²	43.7	6%	0.06	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-108	4.4	173.8	-41.9	-56.7	0	0	0	113.4	V500 K501 P502 N506 R507 I508 F536	V500-H504 HydrophobicContact CG2-CB 3.79Å; K501-H504 PolarHBondContact O-N 3.34Å; P502-H504 PolarHBondContact O-N 2.88Å; H504-N506 VanDerWaalsContact C-N 3.26Å; H504-N506 PolarHBondContact O-N 2.96Å; H504-R507 HydrophobicContact CB-CB 4.3Å; H504-R507 WeakPolarHBondContact CE1-CD 3.22Å; H504-R507 PolarHBondContact CE1-NH1 2.57Å; H504-R507 PolarHBondContact ND1-NH1 3.1Å; H504-R507 WeakPolarHBondContact O-CA 3.16Å; H504-R507 WeakPolarHBondContact O-CB 3.49Å; H504-R507 PolarHBondContact O-N 2.92Å; H504-I508 PolarHBondContact O-N 3.32Å; H504-F536 HydrophobicContact CB-CE2 3.64Å; H504-F536 HydrophobicContact CB-CZ 3.97Å; H504-F536 AromaticContact CE1-CZ 3.98Å; H504-F536 AromaticContact CG-CE2 3.79Å; H504-F536 AromaticContact CG-CZ 3.83Å; H504-F536 AromaticContact ND1-CZ 3.87Å
505	E	88.7	Confident	93.5	Very high	80 Å²	80	46 Å²	46	37%	0.374	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-54.7	-42.5	-179.9	-172.1	169.6	-153.3	0	0	111.8	K484 P502 R507 I508	K484-E505 IonicContact NZ-OE1 2.94Å; K484-E505 PolarHBondContact NZ-OE1 3.19Å; K484-E505 IonicContact NZ-OE2 2.93Å; K484-E505 PolarHBondContact NZ-OE2 2.84Å; P502-E505 VanDerWaalsContact O-CB 3.31Å; P502-E505 WeakPolarHBondContact O-CB 3.08Å; P502-E505 PolarHBondContact O-N 2.84Å; P502-E505 VanDerWaalsContact O-N 3.17Å; E505-R507 VanDerWaalsContact C-N 3.27Å; E505-R507 PolarHBondContact O-N 2.99Å; E505-I508 PolarHBondContact O-N 3.34Å
506	N	85.1	Confident	93.3	Very high	156 Å²	156	46 Å²	46	83%	0.834	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-76	-6.5	175.9	-62.1	-25.2	0	0	0	114.6	H504	H504-N506 VanDerWaalsContact C-N 3.26Å; H504-N506 PolarHBondContact O-N 2.96Å
507	R	87.7	Confident	93	Very high	49 Å²	49	50.3 Å²	50.3	19%	0.185	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-94.7	-11.5	177.8	-64	-177.7	174.7	117.2	-15.6	112.3	D405 E503 H504 E505 F536 N537	D405-R507 PolarHBondContact O-NH2 3.38Å; E503-R507 PolarHBondContact O-NH1 2.86Å; H504-R507 HydrophobicContact CB-CB 4.3Å; H504-R507 WeakPolarHBondContact CE1-CD 3.22Å; H504-R507 PolarHBondContact CE1-NH1 2.57Å; H504-R507 PolarHBondContact ND1-NH1 3.1Å; H504-R507 WeakPolarHBondContact O-CA 3.16Å; H504-R507 WeakPolarHBondContact O-CB 3.49Å; H504-R507 PolarHBondContact O-N 2.92Å; E505-R507 VanDerWaalsContact C-N 3.27Å; E505-R507 PolarHBondContact O-N 2.99Å; R507-F536 HydrophobicContact CB-CE1 4.36Å; R507-F536 HydrophobicContact CB-CZ 4.27Å; R507-F536 WeakPolarHBondContact O-CA 3.5Å; R507-N537 VanDerWaalsContact CB-OD1 3.27Å; R507-N537 WeakPolarHBondContact CB-OD1 3.49Å; R507-N537 WeakPolarHBondContact CG-OD1 3.3Å; R507-N537 PolarHBondContact O-N 3.48Å
508	I	91.7	Very high	92.4	Very high	21 Å²	21	50.3 Å²	50.3	11%	0.108	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	131.7	176.2	-54.9	-57.9	0	0	0	110.1	I486 H504 E505 V511 F534 M535 F536	I486-I508 HydrophobicContact CD1-CB 4.15Å; I486-I508 HydrophobicContact CD1-CG1 3.9Å; I486-I508 HydrophobicContact CD1-CG2 4.11Å; I486-I508 HydrophobicContact CG1-CG1 4.24Å; I486-I508 HydrophobicContact CG1-CG2 4.47Å; I486-I508 HydrophobicContact CG2-CG2 3.88Å; H504-I508 PolarHBondContact O-N 3.32Å; E505-I508 PolarHBondContact O-N 3.34Å; I508-V511 HydrophobicContact CG2-CG2 3.74Å; I508-F534 HydrophobicContact CD1-CD2 3.8Å; I508-F534 HydrophobicContact CD1-CE2 3.76Å; I508-F534 HydrophobicContact CG2-CB 4.03Å; I508-F534 HydrophobicContact CG2-CD2 4.14Å; I508-F534 HydrophobicContact CG2-CG 4.17Å; I508-M535 WeakPolarHBondContact CA-O 3.47Å; I508-F536 HydrophobicContact CD1-CB 4.34Å; I508-F536 HydrophobicContact CD1-CD2 3.6Å; I508-F536 HydrophobicContact CD1-CE2 4.36Å; I508-F536 HydrophobicContact CD1-CG 4.33Å
509	S	87.8	Confident	90.7	Very high	41 Å²	41	50.7 Å²	50.7	29%	0.287	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	175.8	170.4	68.3	0	0	0	0	111.7	V511 F534 M535	S509-V511 VanDerWaalsContact C-N 3.28Å; S509-V511 PolarHBondContact O-N 3.23Å; S509-F534 WeakPolarHBondContact O-CB 3.48Å; S509-M535 PolarHBondContact N-O 2.9Å; S509-M535 PolarHBondContact O-N 3.2Å; S509-M535 WeakPolarHBondContact OG-CB 3.35Å
510	H	88.9	Confident	88.6	Confident	156 Å²	156	53.9 Å²	53.9	72%	0.722	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.9	39.7	175	-58.2	84.8	0	0	0	114.2	G512 M535	H510-G512 PolarHBondContact O-N 3.31Å; H510-M535 HydrophobicContact CB-CB 4.47Å; H510-M535 HydrophobicContact CB-CG 3.93Å
511	V	95.3	Very high	86.4	Confident	67 Å²	67	57.6 Å²	57.6	41%	0.406	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	115.2	179.7	-174.2	0	0	0	0	110	I486 A487 I508 S509 S533 F534	I486-V511 HydrophobicContact CG2-CG1 4.18Å; I486-V511 HydrophobicContact CG2-CG2 3.89Å; A487-V511 HydrophobicContact CB-CG1 4.08Å; I508-V511 HydrophobicContact CG2-CG2 3.74Å; S509-V511 VanDerWaalsContact C-N 3.28Å; S509-V511 PolarHBondContact O-N 3.23Å; V511-S533 CarbonylContact C-O 3.48Å; V511-S533 WeakPolarHBondContact CA-O 3.25Å; V511-F534 HydrophobicContact CG2-CB 4.13Å
512	G	94.6	Very high	84.5	Confident	23 Å²	23	59 Å²	59	24%	0.237	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147.8	174.7	0	0	0	0	0	111	H510 V532 S533	H510-G512 PolarHBondContact O-N 3.31Å; G512-V532 CarbonylContact O-C 3.56Å; G512-V532 WeakPolarHBondContact O-CA 3.3Å; G512-S533 PolarHBondContact N-O 2.92Å; G512-S533 PolarHBondContact O-N 3.49Å
513	M	97.4	Very high	82.1	Confident	93 Å²	93	60.4 Å²	60.4	46%	0.458	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	147.5	178.3	-57.4	-174.4	-69.3	0	0	109.7	A487 Q489 G531 V532	A487-M513 HydrophobicContact CB-CG 4.17Å; A487-M513 HydrophobicContact CB-SD 3.74Å; Q489-M513 HydrophobicContact CB-CB 4.36Å; Q489-M513 HydrophobicContact CB-SD 4.4Å; Q489-M513 HydrophobicContact CG-CB 4.44Å; M513-G531 WeakPolarHBondContact CA-O 3.44Å; M513-V532 HydrophobicContact CG-CG2 4.27Å
514	S	97.1	Very high	80.2	Confident	22 Å²	22	60.5 Å²	60.5	15%	0.154	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	163.1	-174.5	-156.7	0	0	0	0	112	Q489 V530 G531 S570	Q489-S514 WeakPolarHBondContact CG-O 3.33Å; S514-V530 CarbonylContact O-C 3.59Å; S514-V530 WeakPolarHBondContact O-CA 3.24Å; S514-G531 PolarHBondContact N-O 3.28Å; S514-G531 PolarHBondContact O-N 2.86Å; S514-S570 WeakPolarHBondContact CB-O 3.37Å; S514-S570 PolarHBondContact OG-N 2.88Å; S514-S570 PolarHBondContact OG-O 3.14Å; S514-S570 VanDerWaalsContact OG-O 3.07Å
515	S	96.8	Very high	78.7	Confident	49 Å²	49	62 Å²	62	34%	0.343	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	150	173.8	68.7	0	0	0	0	112	A529	S515-A529 CarbonylContact C-O 3.45Å; S515-A529 WeakPolarHBondContact CA-O 3.44Å; S515-A529 VanDerWaalsContact CB-O 3.3Å; S515-A529 WeakPolarHBondContact CB-O 3.49Å
516	V	95.3	Very high	78.4	Confident	9 Å²	9	60.9 Å²	60.9	6%	0.055	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	133.7	179.5	177.1	0	0	0	0	109.2	L491 T518 G528 A529 I565 L568 L569	L491-V516 VanDerWaalsContact CD2-O 3.23Å; L491-V516 WeakPolarHBondContact CD2-O 3.12Å; V516-T518 HydrophobicContact CG1-CG2 3.93Å; V516-G528 CarbonylContact O-C 3.54Å; V516-G528 WeakPolarHBondContact O-CA 3.23Å; V516-A529 PolarHBondContact N-O 3.36Å; V516-A529 PolarHBondContact O-N 3.23Å; V516-I565 HydrophobicContact CB-CG1 4.37Å; V516-I565 HydrophobicContact CG1-CG1 4.35Å; V516-L568 HydrophobicContact CG1-CB 4.04Å; V516-L568 HydrophobicContact CG1-CD1 4.16Å; V516-L568 HydrophobicContact CG2-CB 3.75Å; V516-L569 HydrophobicContact CG2-CB 3.74Å; V516-L569 HydrophobicContact CG2-CD1 3.85Å; V516-L569 HydrophobicContact CG2-CG 4.43Å
517	K	92.6	Very high	78.7	Confident	91 Å²	91	54.5 Å²	54.5	40%	0.396	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	132.9	174.2	-64.3	-179.5	171	-175.6	0	109.6	L491 W492 N522	L491-K517 HydrophobicContact CD1-CG 4.03Å; L491-K517 HydrophobicContact CD2-CG 4.12Å; W492-K517 HydrophobicContact CH2-CB 3.94Å; W492-K517 HydrophobicContact CH2-CD 3.49Å; W492-K517 VanDerWaalsContact CH2-CD 3.49Å; W492-K517 HydrophobicContact CH2-CG 3.47Å; W492-K517 VanDerWaalsContact CH2-CG 3.47Å; W492-K517 HydrophobicContact CZ2-CD 3.88Å; W492-K517 HydrophobicContact CZ2-CG 4.3Å; W492-K517 HydrophobicContact CZ3-CB 4.23Å; W492-K517 HydrophobicContact CZ3-CD 4.26Å; W492-K517 HydrophobicContact CZ3-CG 3.76Å; K517-N522 WeakPolarHBondContact CB-O 3.14Å
518	T	85.3	Confident	79.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.308	C	S	.	.			trans	-135.7	14.2	-178.2	71	0	0	0	0	113.8	V516 K527 G528 R557 N561 D564 I565	V516-T518 HydrophobicContact CG1-CG2 3.93Å; T518-K527 PolarHBondContact N-O 3.47Å; T518-G528 WeakPolarHBondContact OG1-CA 3.31Å; T518-G528 PolarHBondContact OG1-N 3.41Å; T518-R557 PolarHBondContact O-NH2 3.11Å; T518-N561 WeakPolarHBondContact CB-ND2 3.48Å; T518-N561 HydrophobicContact CG2-CB 4.38Å; T518-N561 PolarHBondContact O-ND2 3.17Å; T518-N561 VanDerWaalsContact O-ND2 3.1Å; T518-D564 HydrophobicContact CG2-CB 3.96Å; T518-I565 HydrophobicContact CG2-CD1 4.28Å; T518-I565 HydrophobicContact CG2-CG1 3.81Å
519	G	63.8	Low	79.4	Confident	8 Å²	8	51.2 Å²	51.2	8%	0.082	30%	0.303	C	S	.	.	S	Bend	trans	-72.6	-155.3	172.4	0	0	0	0	0	113.2	A521 N522 L524 K527 R557	G519-A521 PolarHBondContact O-N 3.44Å; G519-N522 WeakPolarHBondContact O-CA 3.49Å; G519-N522 PolarHBondContact O-N 2.86Å; G519-N522 PolarHBondContact O-OD1 3.31Å; G519-L524 CarbonylContact C-O 3.51Å; G519-L524 VanDerWaalsContact C-O 3.31Å; G519-L524 WeakPolarHBondContact CA-O 3.48Å; G519-K527 PolarHBondContact N-O 3.4Å; G519-R557 PolarHBondContact O-NH2 2.98Å
520	I	53.6	Low	79.9	Confident	68 Å²	68	49.2 Å²	49.2	35%	0.349	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-57.8	133	-179.8	-65.7	170.5	0	0	0	109.7	N522 T523 L524 D1219	I520-N522 PolarHBondContact O-N 3.2Å; I520-T523 PolarHBondContact O-N 3.25Å; I520-L524 HydrophobicContact CB-CB 3.98Å; I520-L524 HydrophobicContact CG2-CB 4.38Å; I520-L524 PolarHBondContact N-O 2.83Å; I520-L524 PolarHBondContact O-N 2.84Å; I520-D1219 WeakPolarHBondContact CG2-OD2 3.49Å
521	A	52.3	Low	80.4	Confident	78 Å²	78	41.8 Å²	41.8	65%	0.645	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.3	30.3	-173.7	0	0	0	0	0	114.2	G519 T523	G519-A521 PolarHBondContact O-N 3.44Å; A521-T523 WeakPolarHBondContact O-CG2 3.4Å; A521-T523 PolarHBondContact O-N 2.84Å; A521-T523 PolarHBondContact O-OG1 2.94Å
522	N	53.2	Low	80.5	Confident	53 Å²	53	38.6 Å²	38.6	28%	0.283	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	25	-171.6	-68.7	4.6	0	0	0	114.6	K517 G519 I520 R557 D564	K517-N522 WeakPolarHBondContact CB-O 3.14Å; G519-N522 WeakPolarHBondContact O-CA 3.49Å; G519-N522 PolarHBondContact O-N 2.86Å; G519-N522 PolarHBondContact O-OD1 3.31Å; I520-N522 PolarHBondContact O-N 3.2Å; N522-R557 PolarHBondContact OD1-NH2 3.43Å; N522-D564 PolarHBondContact ND2-OD2 3.04Å; N522-D564 VanDerWaalsContact ND2-OD2 3.16Å
523	T	41.3	Very low	80.7	Confident	80 Å²	80	37.7 Å²	37.7	49%	0.491	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140	-33.4	-172.5	46.1	0	0	0	0	114.1	I520 A521	I520-T523 PolarHBondContact O-N 3.25Å; A521-T523 WeakPolarHBondContact O-CG2 3.4Å; A521-T523 PolarHBondContact O-N 2.84Å; A521-T523 PolarHBondContact O-OG1 2.94Å
524	L	45.6	Very low	80.7	Confident	114 Å²	114	33.5 Å²	33.5	60%	0.597	20%	0.204	S	C	*	.	B	Isolated β-bridge	trans	-100.9	153.3	176.9	-99.5	68.6	0	0	0	112.5	G519 I520	G519-L524 CarbonylContact C-O 3.51Å; G519-L524 VanDerWaalsContact C-O 3.31Å; G519-L524 WeakPolarHBondContact CA-O 3.48Å; I520-L524 HydrophobicContact CB-CB 3.98Å; I520-L524 HydrophobicContact CG2-CB 4.38Å; I520-L524 PolarHBondContact N-O 2.83Å; I520-L524 PolarHBondContact O-N 2.84Å
525	G	59.2	Low	80.5	Confident	43 Å²	43	34.3 Å²	34.3	44%	0.443	21%	0.206	S	C	.	.	S	Bend	trans	84.4	156.3	171.3	0	0	0	0	0	115.5	W492 K527	W492-G525 WeakPolarHBondContact CH2-O 3.34Å; W492-G525 WeakPolarHBondContact CZ3-O 3.49Å; G525-K527 PolarHBondContact O-N 2.87Å
526	N	81.1	Confident	80.3	Confident	58 Å²	58	32 Å²	32	31%	0.31	19%	0.19	S	C	.	.	S	Bend	trans	-79.3	38.1	-167	72.6	-10.5	0	0	0	115.6
527	K	92.5	Very high	80.1	Confident	22 Å²	22	31.8 Å²	31.8	10%	0.096	19%	0.189	C	C	.	.			trans	-126.3	137.4	-170.4	-63.3	-68.3	-176.6	-89	0	112.3	T518 G519 G525 H547 L548	T518-K527 PolarHBondContact N-O 3.47Å; G519-K527 PolarHBondContact N-O 3.4Å; G525-K527 PolarHBondContact O-N 2.87Å; K527-H547 HydrophobicContact CD-CB 4.44Å; K527-H547 VanDerWaalsContact CD-O 3.23Å; K527-H547 WeakPolarHBondContact CD-O 3.32Å; K527-H547 VanDerWaalsContact CE-CD2 3.46Å; K527-H547 WeakPolarHBondContact CE-CD2 3.39Å; K527-H547 WeakPolarHBondContact CE-NE2 3.44Å; K527-H547 PolarHBondContact NZ-CD2 3.03Å; K527-H547 PolarHBondContact NZ-CE1 2.97Å; K527-H547 PolarHBondContact NZ-NE2 2.82Å; K527-L548 VanDerWaalsContact CD-O 3.29Å; K527-L548 WeakPolarHBondContact CD-O 3.34Å; K527-L548 VanDerWaalsContact CE-O 3.23Å; K527-L548 WeakPolarHBondContact CE-O 3.35Å
528	G	95.4	Very high	79.6	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155	-158.8	-172.8	0	0	0	0	0	113.2	I494 V516 T518 C546 H547	I494-G528 WeakPolarHBondContact CD1-O 3.12Å; V516-G528 CarbonylContact O-C 3.54Å; V516-G528 WeakPolarHBondContact O-CA 3.23Å; T518-G528 WeakPolarHBondContact OG1-CA 3.31Å; T518-G528 PolarHBondContact OG1-N 3.41Å; G528-C546 VanDerWaalsContact O-CA 3.26Å; G528-C546 WeakPolarHBondContact O-CA 3.39Å; G528-C546 WeakPolarHBondContact O-CB 3.33Å; G528-H547 PolarHBondContact N-O 3.33Å; G528-H547 VanDerWaalsContact N-O 3.15Å; G528-H547 PolarHBondContact O-N 3.13Å
529	A	98.5	Very high	80.1	Confident	0 Å²	0	29 Å²	29	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.6	176.3	0	0	0	0	0	112.8	S515 V516 V544 N545 C546 I565	S515-A529 CarbonylContact C-O 3.45Å; S515-A529 WeakPolarHBondContact CA-O 3.44Å; S515-A529 VanDerWaalsContact CB-O 3.3Å; S515-A529 WeakPolarHBondContact CB-O 3.49Å; V516-A529 PolarHBondContact N-O 3.36Å; V516-A529 PolarHBondContact O-N 3.23Å; A529-V544 HydrophobicContact CB-CG1 4.09Å; A529-N545 CarbonylContact C-O 3.57Å; A529-N545 VanDerWaalsContact CA-O 3.3Å; A529-N545 WeakPolarHBondContact CA-O 3.45Å; A529-C546 HydrophobicContact CB-CB 3.69Å; A529-I565 HydrophobicContact CB-CB 4.33Å; A529-I565 HydrophobicContact CB-CD1 3.73Å; A529-I565 HydrophobicContact CB-CG1 3.72Å; A529-I565 HydrophobicContact CB-CG2 3.58Å
530	V	98.7	Very high	81.6	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	152.8	161.4	-67.9	0	0	0	0	108.4	Q489 L491 I494 L496 S514 N545	Q489-V530 HydrophobicContact CB-CB 4.29Å; Q489-V530 HydrophobicContact CG-CB 3.8Å; Q489-V530 HydrophobicContact CG-CG1 3.92Å; L491-V530 HydrophobicContact CB-CG1 3.47Å; L491-V530 VanDerWaalsContact CB-CG1 3.47Å; I494-V530 HydrophobicContact CG2-CG2 4.07Å; L496-V530 HydrophobicContact CB-CB 4.44Å; L496-V530 HydrophobicContact CB-CG2 3.53Å; S514-V530 CarbonylContact O-C 3.59Å; S514-V530 WeakPolarHBondContact O-CA 3.24Å; V530-N545 HydrophobicContact CG2-CB 3.98Å; V530-N545 PolarHBondContact N-O 2.97Å; V530-N545 PolarHBondContact O-N 2.95Å; V530-N545 VanDerWaalsContact O-O 3.11Å
531	G	98.6	Very high	83.8	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	156.6	174.9	0	0	0	0	0	113.5	M513 S514 F543	M513-G531 WeakPolarHBondContact CA-O 3.44Å; S514-G531 PolarHBondContact N-O 3.28Å; S514-G531 PolarHBondContact O-N 2.86Å; G531-F543 CarbonylContact C-O 3.55Å; G531-F543 WeakPolarHBondContact CA-O 3.34Å
532	V	98.7	Very high	86	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.7	-179.9	172.6	0	0	0	0	107.8	A487 Q489 L496 V498 G512 M513 F534 F543	A487-V532 HydrophobicContact CB-CB 4.32Å; A487-V532 HydrophobicContact CB-CG1 3.51Å; A487-V532 HydrophobicContact CB-CG2 3.77Å; Q489-V532 HydrophobicContact CB-CG2 4.32Å; L496-V532 HydrophobicContact CD2-CB 4.13Å; L496-V532 HydrophobicContact CD2-CG2 3.89Å; L496-V532 HydrophobicContact CG-CG2 4.09Å; V498-V532 HydrophobicContact CG2-CB 4.11Å; V498-V532 HydrophobicContact CG2-CG1 3.82Å; V498-V532 HydrophobicContact CG2-CG2 4.35Å; G512-V532 CarbonylContact O-C 3.56Å; G512-V532 WeakPolarHBondContact O-CA 3.3Å; M513-V532 HydrophobicContact CG-CG2 4.27Å; V532-F534 HydrophobicContact CG1-CD1 4.17Å; V532-F543 PolarHBondContact N-O 3.06Å; V532-F543 PolarHBondContact O-N 3.35Å
533	S	98.2	Very high	88.2	Confident	3 Å²	3	20.1 Å²	20.1	2%	0.021	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.8	170.8	59.9	0	0	0	0	111.4	V511 G512 F541 G572	V511-S533 CarbonylContact C-O 3.48Å; V511-S533 WeakPolarHBondContact CA-O 3.25Å; G512-S533 PolarHBondContact N-O 2.92Å; G512-S533 PolarHBondContact O-N 3.49Å; S533-F541 CarbonylContact C-O 3.57Å; S533-F541 WeakPolarHBondContact CA-O 3.44Å; S533-F541 WeakPolarHBondContact CB-O 3.26Å; S533-G572 PolarHBondContact OG-N 3.21Å; S533-G572 VanDerWaalsContact OG-N 3.14Å
534	F	97	Very high	90.9	Very high	5 Å²	5	16.3 Å²	16.3	2%	0.022	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	164.7	173.1	54.7	-91.6	0	0	0	111.3	L452 I486 V498 I508 S509 V511 V532 F536 F541 F543	L452-F534 HydrophobicContact CD1-CE2 4.09Å; L452-F534 HydrophobicContact CD1-CZ 3.83Å; L452-F534 HydrophobicContact CD2-CE2 4.49Å; L452-F534 HydrophobicContact CD2-CZ 4.03Å; I486-F534 HydrophobicContact CG2-CD1 4.49Å; V498-F534 HydrophobicContact CG1-CE1 3.81Å; V498-F534 HydrophobicContact CG1-CZ 4.25Å; I508-F534 HydrophobicContact CD1-CD2 3.8Å; I508-F534 HydrophobicContact CD1-CE2 3.76Å; I508-F534 HydrophobicContact CG2-CB 4.03Å; I508-F534 HydrophobicContact CG2-CD2 4.14Å; I508-F534 HydrophobicContact CG2-CG 4.17Å; S509-F534 WeakPolarHBondContact O-CB 3.48Å; V511-F534 HydrophobicContact CG2-CB 4.13Å; V532-F534 HydrophobicContact CG1-CD1 4.17Å; F534-F536 HydrophobicContact CE2-CB 4.34Å; F534-F541 HydrophobicContact CD2-CB 4.39Å; F534-F541 HydrophobicContact CE2-CB 4.07Å; F534-F541 HydrophobicContact CE2-CD2 4.19Å; F534-F541 HydrophobicContact CE2-CG 4.3Å; F534-F541 HydrophobicContact CZ-CB 4.15Å; F534-F541 PolarHBondContact N-O 2.85Å; F534-F541 PolarHBondContact O-N 3.3Å; F534-F543 AromaticContact CE1-CD2 3.93Å; F534-F543 HydrophobicContact CE1-CD2 3.93Å; F534-F543 AromaticContact CE1-CE2 3.51Å; F534-F543 HydrophobicContact CE1-CE2 3.51Å; F534-F543 HydrophobicContact CZ-CD2 4.48Å; F534-F543 AromaticContact CZ-CE2 3.61Å; F534-F543 HydrophobicContact CZ-CE2 3.61Å; F534-F543 HydrophobicContact CZ-CZ 4.4Å
535	M	92.1	Very high	93.4	Very high	39 Å²	39	10.9 Å²	10.9	19%	0.192	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129.2	163.9	-67.2	-67.6	-67.2	0	0	109	I508 S509 H510 N537 G538 T539 S540	I508-M535 WeakPolarHBondContact CA-O 3.47Å; S509-M535 PolarHBondContact N-O 2.9Å; S509-M535 PolarHBondContact O-N 3.2Å; S509-M535 WeakPolarHBondContact OG-CB 3.35Å; H510-M535 HydrophobicContact CB-CB 4.47Å; H510-M535 HydrophobicContact CB-CG 3.93Å; M535-N537 WeakPolarHBondContact CE-O 3.43Å; M535-G538 VanDerWaalsContact CE-C 3.46Å; M535-T539 WeakPolarHBondContact CA-O 3.31Å; M535-S540 VanDerWaalsContact SD-CB 3.53Å
536	F	94.2	Very high	95.3	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	109.6	159.5	-173.4	-69.5	0	0	0	106.6	P407 I410 H504 R507 I508 F534 G538 T539 F541 V715	P407-F536 HydrophobicContact CG-CE1 4.01Å; P407-F536 HydrophobicContact CG-CZ 4.17Å; I410-F536 HydrophobicContact CD1-CD1 4.47Å; I410-F536 HydrophobicContact CD1-CD2 3.93Å; I410-F536 HydrophobicContact CD1-CE2 4.08Å; I410-F536 HydrophobicContact CD1-CG 4.15Å; I410-F536 HydrophobicContact CD1-CZ 4.45Å; I410-F536 HydrophobicContact CG2-CE1 4Å; I410-F536 HydrophobicContact CG2-CE2 4.12Å; I410-F536 HydrophobicContact CG2-CZ 3.65Å; H504-F536 HydrophobicContact CB-CE2 3.64Å; H504-F536 HydrophobicContact CB-CZ 3.97Å; H504-F536 AromaticContact CE1-CZ 3.98Å; H504-F536 AromaticContact CG-CE2 3.79Å; H504-F536 AromaticContact CG-CZ 3.83Å; H504-F536 AromaticContact ND1-CZ 3.87Å; R507-F536 HydrophobicContact CB-CE1 4.36Å; R507-F536 HydrophobicContact CB-CZ 4.27Å; R507-F536 WeakPolarHBondContact O-CA 3.5Å; I508-F536 HydrophobicContact CD1-CB 4.34Å; I508-F536 HydrophobicContact CD1-CD2 3.6Å; I508-F536 HydrophobicContact CD1-CE2 4.36Å; I508-F536 HydrophobicContact CD1-CG 4.33Å; F534-F536 HydrophobicContact CE2-CB 4.34Å; F536-G538 PolarHBondContact O-N 2.65Å; F536-G538 VanDerWaalsContact O-N 3.15Å; F536-T539 PolarHBondContact N-O 3.34Å; F536-T539 PolarHBondContact O-N 3.17Å; F536-F541 HydrophobicContact CB-CD2 3.98Å; F536-F541 HydrophobicContact CB-CE2 3.84Å; F536-V715 HydrophobicContact CD1-CB 4.3Å; F536-V715 HydrophobicContact CD1-CG1 4.22Å; F536-V715 HydrophobicContact CD1-CG2 4.33Å; F536-V715 HydrophobicContact CE1-CG2 4.19Å
537	N	89.6	Confident	96.1	Very high	6 Å²	6	6.1 Å²	6.1	3%	0.032	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	47	-118.2	-168.1	-76.2	-0.9	0	0	0	111.9	E406 R507 M535 T716 Q718	E406-N537 PolarHBondContact OE1-ND2 3.1Å; E406-N537 PolarHBondContact OE2-ND2 2.63Å; E406-N537 VanDerWaalsContact OE2-ND2 3.12Å; R507-N537 VanDerWaalsContact CB-OD1 3.27Å; R507-N537 WeakPolarHBondContact CB-OD1 3.49Å; R507-N537 WeakPolarHBondContact CG-OD1 3.3Å; R507-N537 PolarHBondContact O-N 3.48Å; M535-N537 WeakPolarHBondContact CE-O 3.43Å; N537-T716 WeakPolarHBondContact CB-O 3.23Å; N537-Q718 HydrophobicContact CB-CG 3.68Å; N537-Q718 PolarHBondContact OD1-NE2 2.69Å
538	G	83.3	Confident	96.3	Very high	29 Å²	29	5.1 Å²	5.1	30%	0.299	4%	0.035	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	2.6	178.4	0	0	0	0	0	115.2	M535 F536 T716	M535-G538 VanDerWaalsContact CE-C 3.46Å; F536-G538 PolarHBondContact O-N 2.65Å; F536-G538 VanDerWaalsContact O-N 3.15Å; G538-T716 VanDerWaalsContact CA-OG1 3.28Å; G538-T716 WeakPolarHBondContact CA-OG1 3.29Å; G538-T716 PolarHBondContact N-O 2.9Å; G538-T716 PolarHBondContact O-OG1 2.95Å; G538-T716 VanDerWaalsContact O-OG1 3.13Å
539	T	95.1	Very high	96.3	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.012	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.7	-172.1	-54.3	0	0	0	0	111.5	M535 F536 F541 T586 V715 T716	M535-T539 WeakPolarHBondContact CA-O 3.31Å; F536-T539 PolarHBondContact N-O 3.34Å; F536-T539 PolarHBondContact O-N 3.17Å; T539-F541 HydrophobicContact CG2-CD2 4.24Å; T539-F541 HydrophobicContact CG2-CE2 3.55Å; T539-F541 HydrophobicContact CG2-CZ 3.93Å; T539-T586 HydrophobicContact CG2-CG2 3.97Å; T539-V715 HydrophobicContact CG2-CG1 4.17Å; T539-V715 WeakPolarHBondContact OG1-CA 3.42Å; T539-T716 PolarHBondContact N-OG1 2.89Å; T539-T716 PolarHBondContact OG1-N 2.68Å; T539-T716 PolarHBondContact OG1-OG1 3.03Å
540	S	96.5	Very high	95.9	Very high	21 Å²	21	8.7 Å²	8.7	15%	0.147	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129.8	-178.7	60.9	0	0	0	0	112.4	M535 F585 T586 H587	M535-S540 VanDerWaalsContact SD-CB 3.53Å; S540-F585 WeakPolarHBondContact OG-CA 3.39Å; S540-T586 PolarHBondContact N-OG1 2.87Å; S540-T586 WeakPolarHBondContact O-CB 3.41Å; S540-T586 PolarHBondContact O-N 3.14Å; S540-T586 PolarHBondContact OG-N 3.37Å; S540-T586 PolarHBondContact OG-OG1 2.94Å; S540-H587 PolarHBondContact O-N 2.91Å; S540-H587 VanDerWaalsContact O-N 3.09Å
541	F	98.6	Very high	95.3	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.1	-179.7	-74.2	-87.5	0	0	0	111.5	I410 I412 S533 F534 F536 T539 F543 H587 F589 V713 V715	I410-F541 HydrophobicContact CD1-CE2 4.31Å; I410-F541 HydrophobicContact CD1-CZ 4.05Å; I412-F541 HydrophobicContact CD1-CD1 4.01Å; I412-F541 HydrophobicContact CD1-CE1 3.4Å; I412-F541 VanDerWaalsContact CD1-CE1 3.4Å; I412-F541 HydrophobicContact CD1-CZ 4.02Å; S533-F541 CarbonylContact C-O 3.57Å; S533-F541 WeakPolarHBondContact CA-O 3.44Å; S533-F541 WeakPolarHBondContact CB-O 3.26Å; F534-F541 HydrophobicContact CD2-CB 4.39Å; F534-F541 HydrophobicContact CE2-CB 4.07Å; F534-F541 HydrophobicContact CE2-CD2 4.19Å; F534-F541 HydrophobicContact CE2-CG 4.3Å; F534-F541 HydrophobicContact CZ-CB 4.15Å; F534-F541 PolarHBondContact N-O 2.85Å; F534-F541 PolarHBondContact O-N 3.3Å; F536-F541 HydrophobicContact CB-CD2 3.98Å; F536-F541 HydrophobicContact CB-CE2 3.84Å; T539-F541 HydrophobicContact CG2-CD2 4.24Å; T539-F541 HydrophobicContact CG2-CE2 3.55Å; T539-F541 HydrophobicContact CG2-CZ 3.93Å; F541-F543 HydrophobicContact CB-CE2 3.75Å; F541-F543 HydrophobicContact CB-CZ 4.28Å; F541-F543 HydrophobicContact CD1-CE2 4.37Å; F541-F543 HydrophobicContact CD1-CZ 4.05Å; F541-F543 HydrophobicContact CG-CE2 4.4Å; F541-H587 WeakPolarHBondContact CA-O 3.41Å; F541-H587 HydrophobicContact CD1-CB 3.91Å; F541-H587 HydrophobicContact CE1-CB 3.85Å; F541-H587 AromaticContact CE1-CD2 3.84Å; F541-H587 AromaticContact CZ-CD2 3.95Å; F541-F589 HydrophobicContact CD1-CE2 4.17Å; F541-F589 HydrophobicContact CE1-CE2 4.29Å; F541-V713 HydrophobicContact CE1-CG1 3.95Å; F541-V713 HydrophobicContact CZ-CG1 3.89Å; F541-V715 HydrophobicContact CE2-CG1 3.92Å; F541-V715 HydrophobicContact CZ-CG1 3.88Å
542	G	98.5	Very high	94.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.9	169.1	0	0	0	0	0	111.1	H587 L588 F589	G542-H587 PolarHBondContact N-O 3.19Å; G542-L588 WeakPolarHBondContact O-CA 3.5Å; G542-F589 PolarHBondContact O-N 2.83Å
543	F	98.9	Very high	94	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	127	177.4	-60.2	-85.5	0	0	0	109.2	I412 I414 V454 L496 G531 V532 F534 F541 F589	I412-F543 HydrophobicContact CD1-CZ 4.48Å; I412-F543 HydrophobicContact CG2-CE1 4.23Å; I412-F543 HydrophobicContact CG2-CZ 4.32Å; I414-F543 HydrophobicContact CD1-CD1 4.23Å; I414-F543 HydrophobicContact CD1-CE1 3.94Å; I414-F543 HydrophobicContact CG1-CE1 4.47Å; V454-F543 HydrophobicContact CB-CD1 4.31Å; V454-F543 HydrophobicContact CB-CE1 4.47Å; V454-F543 HydrophobicContact CG1-CB 4.29Å; V454-F543 HydrophobicContact CG1-CD1 3.88Å; V454-F543 HydrophobicContact CG1-CG 4.14Å; V454-F543 HydrophobicContact CG2-CD1 3.87Å; V454-F543 HydrophobicContact CG2-CE1 3.69Å; V454-F543 HydrophobicContact CG2-CE2 4.4Å; V454-F543 HydrophobicContact CG2-CG 4.31Å; V454-F543 HydrophobicContact CG2-CZ 3.98Å; L496-F543 HydrophobicContact CD2-CB 4.11Å; L496-F543 WeakPolarHBondContact CD2-O 3.49Å; G531-F543 CarbonylContact C-O 3.55Å; G531-F543 WeakPolarHBondContact CA-O 3.34Å; V532-F543 PolarHBondContact N-O 3.06Å; V532-F543 PolarHBondContact O-N 3.35Å; F534-F543 AromaticContact CE1-CD2 3.93Å; F534-F543 HydrophobicContact CE1-CD2 3.93Å; F534-F543 AromaticContact CE1-CE2 3.51Å; F534-F543 HydrophobicContact CE1-CE2 3.51Å; F534-F543 HydrophobicContact CZ-CD2 4.48Å; F534-F543 AromaticContact CZ-CE2 3.61Å; F534-F543 HydrophobicContact CZ-CE2 3.61Å; F534-F543 HydrophobicContact CZ-CZ 4.4Å; F541-F543 HydrophobicContact CB-CE2 3.75Å; F541-F543 HydrophobicContact CB-CZ 4.28Å; F541-F543 HydrophobicContact CD1-CE2 4.37Å; F541-F543 HydrophobicContact CD1-CZ 4.05Å; F541-F543 HydrophobicContact CG-CE2 4.4Å; F543-F589 CarbonylContact C-O 3.58Å; F543-F589 WeakPolarHBondContact CA-O 3.46Å; F543-F589 HydrophobicContact CD1-CB 3.76Å; F543-F589 AromaticContact CD1-CD2 3.85Å; F543-F589 HydrophobicContact CD1-CD2 3.85Å; F543-F589 HydrophobicContact CD1-CG 4.12Å; F543-F589 HydrophobicContact CE1-CB 4.08Å; F543-F589 AromaticContact CE1-CD2 3.32Å; F543-F589 HydrophobicContact CE1-CD2 3.32Å; F543-F589 AromaticContact CE1-CE2 3.97Å; F543-F589 HydrophobicContact CE1-CE2 3.97Å; F543-F589 AromaticContact CE1-CG 3.91Å; F543-F589 HydrophobicContact CE1-CG 3.91Å; F543-F589 AromaticContact CZ-CD2 3.95Å; F543-F589 HydrophobicContact CZ-CD2 3.95Å; F543-F589 HydrophobicContact CZ-CE2 4.31Å
544	V	98.9	Very high	93.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.6	178.5	-176.8	0	0	0	0	109	A529 I565 L569 I581 L588 F589 W590 L591	A529-V544 HydrophobicContact CB-CG1 4.09Å; V544-I565 HydrophobicContact CG1-CG2 4.07Å; V544-L569 HydrophobicContact CB-CD2 4.32Å; V544-L569 HydrophobicContact CG1-CD2 3.83Å; V544-L569 HydrophobicContact CG2-CD2 3.58Å; V544-I581 HydrophobicContact CG2-CD1 4.03Å; V544-L588 HydrophobicContact CG2-CD1 4.02Å; V544-F589 PolarHBondContact N-O 3.42Å; V544-W590 HydrophobicContact CB-CD2 4.01Å; V544-W590 HydrophobicContact CB-CE3 4.41Å; V544-W590 HydrophobicContact CB-CG 4.05Å; V544-W590 HydrophobicContact CG1-CD2 3.95Å; V544-W590 HydrophobicContact CG1-CE3 4.47Å; V544-W590 HydrophobicContact CG1-CG 4.29Å; V544-W590 HydrophobicContact CG1-CZ2 4.17Å; V544-W590 HydrophobicContact CG2-CE3 4.44Å; V544-L591 WeakPolarHBondContact O-CD2 3.16Å; V544-L591 WeakPolarHBondContact O-CG 3.47Å; V544-L591 PolarHBondContact O-N 3.46Å
545	N	98.9	Very high	93.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.3	170	172.6	32.2	0	0	0	109.8	G456 S457 Q458 K495 L496 A529 V530 L591 G592	G456-N545 WeakPolarHBondContact CA-ND2 3.4Å; S457-N545 PolarHBondContact N-ND2 2.88Å; S457-N545 VanDerWaalsContact N-ND2 3.17Å; S457-N545 PolarHBondContact O-ND2 3.3Å; Q458-N545 PolarHBondContact NE2-OD1 2.85Å; K495-N545 PolarHBondContact O-ND2 2.84Å; L496-N545 HydrophobicContact CB-CB 4.14Å; L496-N545 HydrophobicContact CD1-CB 4.19Å; L496-N545 HydrophobicContact CD2-CB 4.36Å; L496-N545 HydrophobicContact CG-CB 4.48Å; A529-N545 CarbonylContact C-O 3.57Å; A529-N545 VanDerWaalsContact CA-O 3.3Å; A529-N545 WeakPolarHBondContact CA-O 3.45Å; V530-N545 HydrophobicContact CG2-CB 3.98Å; V530-N545 PolarHBondContact N-O 2.97Å; V530-N545 PolarHBondContact O-N 2.95Å; V530-N545 VanDerWaalsContact O-O 3.11Å; N545-L591 VanDerWaalsContact CA-O 3.32Å; N545-L591 WeakPolarHBondContact CA-O 3.13Å; N545-L591 HydrophobicContact CB-CD1 4.29Å; N545-L591 HydrophobicContact CB-CG 4.17Å; N545-G592 WeakPolarHBondContact OD1-CA 3.28Å
546	C	98.6	Very high	93.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	166.4	178.4	66.7	0	0	0	0	115	Q458 G528 A529 L548 I565 W590 L591 G592 D593 L594	Q458-C546 WeakPolarHBondContact CG-O 3.34Å; G528-C546 VanDerWaalsContact O-CA 3.26Å; G528-C546 WeakPolarHBondContact O-CA 3.39Å; G528-C546 WeakPolarHBondContact O-CB 3.33Å; A529-C546 HydrophobicContact CB-CB 3.69Å; C546-L548 HydrophobicContact CB-CD2 4Å; C546-I565 HydrophobicContact CB-CD1 3.97Å; C546-W590 PolarHBondContact SG-NE1 2.92Å; C546-L591 PolarHBondContact N-O 3.01Å; C546-L591 VanDerWaalsContact N-O 3.13Å; C546-G592 VanDerWaalsContact O-CA 3.27Å; C546-G592 WeakPolarHBondContact O-CA 3.48Å; C546-D593 PolarHBondContact O-N 3.32Å; C546-L594 WeakPolarHBondContact SG-CD2 3.3Å
547	H	98.3	Very high	93.5	Very high	2 Å²	2	26 Å²	26	1%	0.009	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	103.5	166.9	-171.5	167.4	0	0	0	106.6	Q458 E459 I494 K527 G528 D593	Q458-H547 HydrophobicContact CB-CB 4.13Å; Q458-H547 HydrophobicContact CG-CB 3.93Å; E459-H547 IonicContact OE1-CE1 3.82Å; I494-H547 HydrophobicContact CD1-CB 3.66Å; I494-H547 HydrophobicContact CG1-CB 3.88Å; K527-H547 HydrophobicContact CD-CB 4.44Å; K527-H547 VanDerWaalsContact CD-O 3.23Å; K527-H547 WeakPolarHBondContact CD-O 3.32Å; K527-H547 VanDerWaalsContact CE-CD2 3.46Å; K527-H547 WeakPolarHBondContact CE-CD2 3.39Å; K527-H547 WeakPolarHBondContact CE-NE2 3.44Å; K527-H547 PolarHBondContact NZ-CD2 3.03Å; K527-H547 PolarHBondContact NZ-CE1 2.97Å; K527-H547 PolarHBondContact NZ-NE2 2.82Å; G528-H547 PolarHBondContact N-O 3.33Å; G528-H547 VanDerWaalsContact N-O 3.15Å; G528-H547 PolarHBondContact O-N 3.13Å; H547-D593 WeakPolarHBondContact CA-O 3.01Å; H547-D593 IonicContact CD2-OD2 3.94Å; H547-D593 IonicContact NE2-OD2 2.75Å
548	L	96.8	Very high	93.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-88.6	167.5	-176	-54.3	-172.6	0	0	0	112.1	K527 C546 S550 R558 N561 I565 D593 L594 Y596	K527-L548 VanDerWaalsContact CD-O 3.29Å; K527-L548 WeakPolarHBondContact CD-O 3.34Å; K527-L548 VanDerWaalsContact CE-O 3.23Å; K527-L548 WeakPolarHBondContact CE-O 3.35Å; C546-L548 HydrophobicContact CB-CD2 4Å; L548-S550 PolarHBondContact O-N 2.72Å; L548-R558 HydrophobicContact CB-CG 4.13Å; L548-N561 HydrophobicContact CD2-CB 3.83Å; L548-I565 HydrophobicContact CD2-CD1 3.64Å; L548-D593 PolarHBondContact N-O 2.84Å; L548-L594 HydrophobicContact CD1-CB 4.15Å; L548-L594 HydrophobicContact CD1-CD2 4.05Å; L548-L594 HydrophobicContact CG-CD2 4.31Å; L548-Y596 HydrophobicContact CD1-CE2 4.12Å
549	T	94	Very high	94.5	Very high	21 Å²	21	25.2 Å²	25.2	13%	0.129	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-59.2	126.7	-176.9	-63.5	0	0	0	0	112.2	K554 R557 R558 N561	T549-K554 HydrophobicContact CG2-CB 3.84Å; T549-K554 HydrophobicContact CG2-CD 3.92Å; T549-K554 HydrophobicContact CG2-CG 4.41Å; T549-R557 HydrophobicContact CG2-CB 4.25Å; T549-R557 HydrophobicContact CG2-CG 3.89Å; T549-R557 WeakPolarHBondContact OG1-CG 3.17Å; T549-R558 WeakPolarHBondContact O-CD 3.18Å; T549-R558 WeakPolarHBondContact O-CG 3.37Å; T549-R558 PolarHBondContact O-NH1 3.4Å; T549-N561 WeakPolarHBondContact CB-OD1 3.49Å; T549-N561 PolarHBondContact N-OD1 3.27Å; T549-N561 VanDerWaalsContact N-OD1 3.15Å; T549-N561 PolarHBondContact OG1-OD1 3.14Å
550	S	90.4	Very high	94.4	Very high	54 Å²	54	28.7 Å²	28.7	38%	0.378	16%	0.155	S	C	.	.	P	Polyproline II helix	trans	-86.5	153.6	-177.4	56.3	0	0	0	0	113.4	L548 N595	L548-S550 PolarHBondContact O-N 2.72Å; S550-N595 VanDerWaalsContact CA-OD1 3.32Å; S550-N595 WeakPolarHBondContact CA-OD1 3.18Å; S550-N595 VanDerWaalsContact CB-CG 3.48Å; S550-N595 WeakPolarHBondContact CB-OD1 3.48Å
551	G	85.5	Confident	94.4	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.01	15%	0.148	C	C	.	.	S	Bend	trans	115.2	134.9	177.3	0	0	0	0	0	113.1	E553 K554 R558	G551-E553 VanDerWaalsContact C-N 3.27Å; G551-E553 PolarHBondContact O-N 2.58Å; G551-K554 PolarHBondContact O-N 2.73Å; G551-K554 VanDerWaalsContact O-N 3.1Å; G551-R558 PolarHBondContact O-NH1 2.82Å; G551-R558 PolarHBondContact O-NH2 3.33Å
552	N	84.8	Confident	94.3	Very high	37 Å²	37	27.8 Å²	27.8	20%	0.198	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-44.7	-175	-69.1	38.8	0	0	0	112.7	K554 R558 R597 Q622	N552-K554 PolarHBondContact O-N 2.78Å; N552-R558 PolarHBondContact O-NH2 3.31Å; N552-R597 HydrophobicContact CB-CB 4.34Å; N552-R597 HydrophobicContact CB-CG 4.34Å; N552-R597 WeakPolarHBondContact OD1-CG 3.28Å; N552-R597 PolarHBondContact OD1-NH1 2.59Å; N552-Q622 PolarHBondContact O-NE2 3.24Å
553	E	86	Confident	94.2	Very high	93 Å²	93	28.9 Å²	28.9	44%	0.435	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-26.8	-179	73.1	-69.1	177.6	0	0	114.2	G551 I555 R668	G551-E553 VanDerWaalsContact C-N 3.27Å; G551-E553 PolarHBondContact O-N 2.58Å; E553-I555 PolarHBondContact O-N 3.27Å; E553-R668 IonicContact OE1-CZ 3.66Å; E553-R668 VanDerWaalsContact OE1-CZ 3.26Å; E553-R668 IonicContact OE1-NH1 3.65Å; E553-R668 PolarHBondContact OE1-NH1 2.97Å; E553-R668 IonicContact OE1-NH2 3.38Å; E553-R668 PolarHBondContact OE1-NH2 2.69Å; E553-R668 IonicContact OE2-CZ 2.73Å; E553-R668 IonicContact OE2-NH1 3.87Å; E553-R668 IonicContact OE2-NH2 2.71Å; E553-R668 PolarHBondContact OE2-NH2 2.91Å
554	K	89.8	Confident	94	Very high	73 Å²	73	29.7 Å²	29.7	32%	0.317	16%	0.159	S	C	.	.			trans	-84.4	38.3	-166.6	-53.5	-155.1	178	-150.5	0	114.7	T549 G551 N552 R557 R558	T549-K554 HydrophobicContact CG2-CB 3.84Å; T549-K554 HydrophobicContact CG2-CD 3.92Å; T549-K554 HydrophobicContact CG2-CG 4.41Å; G551-K554 PolarHBondContact O-N 2.73Å; G551-K554 VanDerWaalsContact O-N 3.1Å; N552-K554 PolarHBondContact O-N 2.78Å; K554-R557 HydrophobicContact CB-CB 4.45Å; K554-R557 PolarHBondContact O-N 3.34Å; K554-R558 PolarHBondContact O-N 2.97Å; K554-R558 VanDerWaalsContact O-N 3.12Å; K554-R558 PolarHBondContact O-NH1 2.99Å
555	I	95.1	Very high	93.9	Very high	42 Å²	42	29.7 Å²	29.7	22%	0.215	16%	0.159	C	C	.	.	H	α-helix	trans	-58.9	-53.9	-179.2	-51.1	177.7	0	0	0	110.8	E553 R557 R558 N559 Y596 Q622 E626	E553-I555 PolarHBondContact O-N 3.27Å; I555-R557 VanDerWaalsContact C-N 3.26Å; I555-R557 PolarHBondContact O-N 2.96Å; I555-R558 WeakPolarHBondContact O-CA 3.37Å; I555-R558 WeakPolarHBondContact O-CB 3.16Å; I555-R558 PolarHBondContact O-N 2.87Å; I555-N559 PolarHBondContact O-N 2.73Å; I555-N559 PolarHBondContact O-OD1 3.07Å; I555-Y596 HydrophobicContact CG2-CE1 4.47Å; I555-Q622 HydrophobicContact CD1-CG 3.87Å; I555-Q622 HydrophobicContact CG1-CG 4.29Å; I555-E626 HydrophobicContact CG2-CG 3.67Å
556	A	93.7	Very high	93.8	Very high	77 Å²	77	29.8 Å²	29.8	64%	0.636	16%	0.159	S	C	*	.	H	α-helix	trans	-57.5	-38.2	-178.5	0	0	0	0	0	112.5	N559 Q560	A556-N559 WeakPolarHBondContact O-CB 3.33Å; A556-N559 PolarHBondContact O-N 3.13Å; A556-Q560 PolarHBondContact O-N 3.03Å
557	R	92.6	Very high	93.4	Very high	88 Å²	88	34.4 Å²	34.4	33%	0.332	18%	0.176	S	C	.	.	H	α-helix	trans	-69.2	-34.5	176	-171	68	-174.1	168.4	12.3	112.5	T518 G519 N522 T549 K554 I555 Q560 N561	T518-R557 PolarHBondContact O-NH2 3.11Å; G519-R557 PolarHBondContact O-NH2 2.98Å; N522-R557 PolarHBondContact OD1-NH2 3.43Å; T549-R557 HydrophobicContact CG2-CB 4.25Å; T549-R557 HydrophobicContact CG2-CG 3.89Å; T549-R557 WeakPolarHBondContact OG1-CG 3.17Å; K554-R557 HydrophobicContact CB-CB 4.45Å; K554-R557 PolarHBondContact O-N 3.34Å; I555-R557 VanDerWaalsContact C-N 3.26Å; I555-R557 PolarHBondContact O-N 2.96Å; R557-Q560 PolarHBondContact O-N 3.28Å; R557-N561 WeakPolarHBondContact O-CB 3.23Å; R557-N561 PolarHBondContact O-N 3.21Å; R557-N561 PolarHBondContact O-ND2 3.38Å; R557-N561 PolarHBondContact O-OD1 3.27Å
558	R	96.6	Very high	93.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64	-42.9	170.1	-73.5	-174.8	-79.3	-77.2	7.9	111.9	L548 T549 G551 N552 K554 I555 N561 Y562 L594 N595 Y596	L548-R558 HydrophobicContact CB-CG 4.13Å; T549-R558 WeakPolarHBondContact O-CD 3.18Å; T549-R558 WeakPolarHBondContact O-CG 3.37Å; T549-R558 PolarHBondContact O-NH1 3.4Å; G551-R558 PolarHBondContact O-NH1 2.82Å; G551-R558 PolarHBondContact O-NH2 3.33Å; N552-R558 PolarHBondContact O-NH2 3.31Å; K554-R558 PolarHBondContact O-N 2.97Å; K554-R558 VanDerWaalsContact O-N 3.12Å; K554-R558 PolarHBondContact O-NH1 2.99Å; I555-R558 WeakPolarHBondContact O-CA 3.37Å; I555-R558 WeakPolarHBondContact O-CB 3.16Å; I555-R558 PolarHBondContact O-N 2.87Å; R558-N561 PolarHBondContact O-N 2.99Å; R558-Y562 PolarHBondContact O-N 3.08Å; R558-L594 WeakPolarHBondContact CD-O 3.11Å; R558-N595 PolarHBondContact NH1-O 3.13Å; R558-Y596 HydrophobicContact CB-CE1 3.87Å; R558-Y596 HydrophobicContact CB-CE2 4.15Å
559	N	96.6	Very high	93.1	Very high	19 Å²	19	39.7 Å²	39.7	10%	0.102	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-47	175.7	-59.6	-0.2	0	0	0	110.9	I555 A556 N561 Y562 L563 Y596 E626 V632	I555-N559 PolarHBondContact O-N 2.73Å; I555-N559 PolarHBondContact O-OD1 3.07Å; A556-N559 WeakPolarHBondContact O-CB 3.33Å; A556-N559 PolarHBondContact O-N 3.13Å; N559-N561 PolarHBondContact O-N 2.87Å; N559-Y562 WeakPolarHBondContact O-CB 3.42Å; N559-Y562 PolarHBondContact O-N 3.49Å; N559-L563 WeakPolarHBondContact O-CG 3.39Å; N559-L563 PolarHBondContact O-N 3.29Å; N559-Y596 PolarHBondContact OD1-OH 2.98Å; N559-E626 PolarHBondContact ND2-OE2 3.35Å; N559-V632 HydrophobicContact CB-CG1 3.6Å; N559-V632 VanDerWaalsContact CG-CG1 3.48Å; N559-V632 WeakPolarHBondContact OD1-CG1 3.22Å
560	Q	94.3	Very high	93.1	Very high	75 Å²	75	42.4 Å²	42.4	35%	0.35	22%	0.224	S	C	.	.	H	α-helix	trans	-63	-41.8	176.3	-172	58.6	41.3	0	0	112	A556 R557 Y562 L563 D564	A556-Q560 PolarHBondContact O-N 3.03Å; R557-Q560 PolarHBondContact O-N 3.28Å; Q560-Y562 VanDerWaalsContact C-N 3.31Å; Q560-Y562 PolarHBondContact O-N 2.64Å; Q560-L563 PolarHBondContact O-N 2.82Å; Q560-D564 PolarHBondContact NE2-OD1 2.83Å; Q560-D564 WeakPolarHBondContact O-CB 3.43Å; Q560-D564 VanDerWaalsContact O-CG 3.24Å; Q560-D564 PolarHBondContact O-N 3.44Å
561	N	95.1	Very high	93.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.2	-41.7	175.2	-64.5	165.9	0	0	0	111.8	T518 L548 T549 R557 R558 N559 D564 I565	T518-N561 WeakPolarHBondContact CB-ND2 3.48Å; T518-N561 HydrophobicContact CG2-CB 4.38Å; T518-N561 PolarHBondContact O-ND2 3.17Å; T518-N561 VanDerWaalsContact O-ND2 3.1Å; L548-N561 HydrophobicContact CD2-CB 3.83Å; T549-N561 WeakPolarHBondContact CB-OD1 3.49Å; T549-N561 PolarHBondContact N-OD1 3.27Å; T549-N561 VanDerWaalsContact N-OD1 3.15Å; T549-N561 PolarHBondContact OG1-OD1 3.14Å; R557-N561 WeakPolarHBondContact O-CB 3.23Å; R557-N561 PolarHBondContact O-N 3.21Å; R557-N561 PolarHBondContact O-ND2 3.38Å; R557-N561 PolarHBondContact O-OD1 3.27Å; R558-N561 PolarHBondContact O-N 2.99Å; N559-N561 PolarHBondContact O-N 2.87Å; N561-D564 PolarHBondContact O-N 3.01Å; N561-I565 VanDerWaalsContact O-CD1 3.25Å; N561-I565 WeakPolarHBondContact O-CD1 3.37Å; N561-I565 WeakPolarHBondContact O-CG1 3.47Å; N561-I565 PolarHBondContact O-N 2.7Å
562	Y	98.1	Very high	93.5	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-59.4	-47.2	173.8	160.7	-96.9	0	0	0	111.7	R558 N559 Q560 I565 L566 W590 V632 F633	R558-Y562 PolarHBondContact O-N 3.08Å; N559-Y562 WeakPolarHBondContact O-CB 3.42Å; N559-Y562 PolarHBondContact O-N 3.49Å; Q560-Y562 VanDerWaalsContact C-N 3.31Å; Q560-Y562 PolarHBondContact O-N 2.64Å; Y562-I565 PolarHBondContact O-N 3.4Å; Y562-L566 HydrophobicContact CE1-CD2 4.2Å; Y562-L566 VanDerWaalsContact O-CB 3.26Å; Y562-L566 WeakPolarHBondContact O-CB 3.03Å; Y562-L566 PolarHBondContact O-N 2.82Å; Y562-W590 AromaticContact CD2-CH2 3.6Å; Y562-W590 HydrophobicContact CD2-CH2 3.6Å; Y562-W590 AromaticContact CD2-CZ2 3.82Å; Y562-W590 HydrophobicContact CD2-CZ2 3.82Å; Y562-W590 HydrophobicContact CD2-CZ3 4.04Å; Y562-W590 HydrophobicContact CE2-CE3 4.29Å; Y562-W590 AromaticContact CE2-CH2 3.83Å; Y562-W590 HydrophobicContact CE2-CH2 3.83Å; Y562-W590 HydrophobicContact CE2-CZ2 4.39Å; Y562-W590 AromaticContact CE2-CZ3 3.78Å; Y562-W590 HydrophobicContact CE2-CZ3 3.78Å; Y562-V632 HydrophobicContact CD1-CB 3.99Å; Y562-V632 HydrophobicContact CD1-CG1 3.96Å; Y562-V632 HydrophobicContact CE1-CB 4.34Å; Y562-V632 HydrophobicContact CG-CB 4.39Å; Y562-V632 HydrophobicContact CG-CG1 4.43Å; Y562-F633 AromaticContact CD2-CD1 3.99Å; Y562-F633 HydrophobicContact CD2-CD1 3.99Å; Y562-F633 HydrophobicContact CD2-CD2 4.08Å; Y562-F633 AromaticContact CD2-CE1 3.74Å; Y562-F633 HydrophobicContact CD2-CE1 3.74Å; Y562-F633 AromaticContact CD2-CE2 3.83Å; Y562-F633 HydrophobicContact CD2-CE2 3.83Å; Y562-F633 HydrophobicContact CD2-CG 4.16Å; Y562-F633 AromaticContact CD2-CZ 3.66Å; Y562-F633 HydrophobicContact CD2-CZ 3.66Å; Y562-F633 AromaticContact CE2-CD1 3.65Å; Y562-F633 HydrophobicContact CE2-CD1 3.65Å; Y562-F633 HydrophobicContact CE2-CD2 4.27Å; Y562-F633 AromaticContact CE2-CE1 3.81Å; Y562-F633 HydrophobicContact CE2-CE1 3.81Å; Y562-F633 HydrophobicContact CE2-CE2 4.41Å; Y562-F633 AromaticContact CE2-CG 3.9Å; Y562-F633 HydrophobicContact CE2-CG 3.9Å; Y562-F633 HydrophobicContact CE2-CZ 4.19Å; Y562-F633 HydrophobicContact CG-CE2 4.31Å; Y562-F633 HydrophobicContact CG-CZ 4.49Å; Y562-F633 WeakPolarHBondContact OH-CA 3.3Å; Y562-F633 PolarHBondContact OH-N 3.37Å
563	L	95.8	Very high	93.4	Very high	22 Å²	22	43.5 Å²	43.5	12%	0.115	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-42.1	178	-66.5	175.4	0	0	0	112.2	N559 Q560 L566 R567	N559-L563 WeakPolarHBondContact O-CG 3.39Å; N559-L563 PolarHBondContact O-N 3.29Å; Q560-L563 PolarHBondContact O-N 2.82Å; L563-L566 PolarHBondContact O-N 3.3Å; L563-R567 VanDerWaalsContact O-CB 3.3Å; L563-R567 WeakPolarHBondContact O-CB 3.31Å; L563-R567 VanDerWaalsContact O-CD 3.23Å; L563-R567 WeakPolarHBondContact O-CD 3.34Å; L563-R567 WeakPolarHBondContact O-CG 3.25Å; L563-R567 PolarHBondContact O-N 2.85Å
564	D	94.2	Very high	93.1	Very high	18 Å²	18	47.5 Å²	47.5	10%	0.096	25%	0.249	C	C	.	.	H	α-helix	trans	-59.9	-47.6	175.8	-70.1	-14.9	0	0	0	111	T518 N522 Q560 N561 R567 L568	T518-D564 HydrophobicContact CG2-CB 3.96Å; N522-D564 PolarHBondContact ND2-OD2 3.04Å; N522-D564 VanDerWaalsContact ND2-OD2 3.16Å; Q560-D564 PolarHBondContact NE2-OD1 2.83Å; Q560-D564 WeakPolarHBondContact O-CB 3.43Å; Q560-D564 VanDerWaalsContact O-CG 3.24Å; Q560-D564 PolarHBondContact O-N 3.44Å; N561-D564 PolarHBondContact O-N 3.01Å; D564-R567 PolarHBondContact O-N 3.08Å; D564-L568 WeakPolarHBondContact O-CB 3.33Å; D564-L568 VanDerWaalsContact O-CG 3.24Å; D564-L568 WeakPolarHBondContact O-CG 3.49Å; D564-L568 PolarHBondContact O-N 3.46Å
565	I	97.2	Very high	92.6	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.7	-47.8	177.2	-64.6	156.4	0	0	0	110.4	V516 T518 A529 V544 C546 L548 N561 Y562 R567 L568 L569 W590	V516-I565 HydrophobicContact CB-CG1 4.37Å; V516-I565 HydrophobicContact CG1-CG1 4.35Å; T518-I565 HydrophobicContact CG2-CD1 4.28Å; T518-I565 HydrophobicContact CG2-CG1 3.81Å; A529-I565 HydrophobicContact CB-CB 4.33Å; A529-I565 HydrophobicContact CB-CD1 3.73Å; A529-I565 HydrophobicContact CB-CG1 3.72Å; A529-I565 HydrophobicContact CB-CG2 3.58Å; V544-I565 HydrophobicContact CG1-CG2 4.07Å; C546-I565 HydrophobicContact CB-CD1 3.97Å; L548-I565 HydrophobicContact CD2-CD1 3.64Å; N561-I565 VanDerWaalsContact O-CD1 3.25Å; N561-I565 WeakPolarHBondContact O-CD1 3.37Å; N561-I565 WeakPolarHBondContact O-CG1 3.47Å; N561-I565 PolarHBondContact O-N 2.7Å; Y562-I565 PolarHBondContact O-N 3.4Å; I565-R567 VanDerWaalsContact C-N 3.27Å; I565-R567 PolarHBondContact O-N 3.33Å; I565-L568 PolarHBondContact O-N 3.2Å; I565-L569 HydrophobicContact CG2-CB 4.25Å; I565-L569 HydrophobicContact CG2-CD2 4.11Å; I565-L569 WeakPolarHBondContact O-CB 3.31Å; I565-L569 PolarHBondContact O-N 3.16Å; I565-W590 HydrophobicContact CB-CH2 3.83Å; I565-W590 HydrophobicContact CB-CZ2 3.82Å; I565-W590 HydrophobicContact CD1-CZ2 4.14Å; I565-W590 HydrophobicContact CG2-CH2 3.51Å; I565-W590 HydrophobicContact CG2-CZ2 3.48Å; I565-W590 VanDerWaalsContact CG2-CZ2 3.48Å; I565-W590 HydrophobicContact CG2-CZ3 4.49Å
566	L	96.5	Very high	92.2	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-57.5	-40.1	-179.5	-179.1	71.6	0	0	0	112.4	Y562 L563 D580 I581 W590	Y562-L566 HydrophobicContact CE1-CD2 4.2Å; Y562-L566 VanDerWaalsContact O-CB 3.26Å; Y562-L566 WeakPolarHBondContact O-CB 3.03Å; Y562-L566 PolarHBondContact O-N 2.82Å; L563-L566 PolarHBondContact O-N 3.3Å; L566-D580 HydrophobicContact CD1-CB 4.43Å; L566-D580 HydrophobicContact CG-CB 4.26Å; L566-I581 HydrophobicContact CD1-CD1 4.49Å; L566-I581 HydrophobicContact CD1-CG1 3.78Å; L566-W590 HydrophobicContact CB-CH2 4.29Å; L566-W590 HydrophobicContact CB-CZ3 4.45Å; L566-W590 HydrophobicContact CD1-CZ3 4.21Å
567	R	91.2	Very high	91.5	Very high	96 Å²	96	49.5 Å²	49.5	36%	0.362	26%	0.255	S	S	.	.	H	α-helix	trans	-83	-32.2	-176.1	-66.7	163	-173.6	-163.2	-8.5	113.1	L563 D564 I565 R845 E847	L563-R567 VanDerWaalsContact O-CB 3.3Å; L563-R567 WeakPolarHBondContact O-CB 3.31Å; L563-R567 VanDerWaalsContact O-CD 3.23Å; L563-R567 WeakPolarHBondContact O-CD 3.34Å; L563-R567 WeakPolarHBondContact O-CG 3.25Å; L563-R567 PolarHBondContact O-N 2.85Å; D564-R567 PolarHBondContact O-N 3.08Å; I565-R567 VanDerWaalsContact C-N 3.27Å; I565-R567 PolarHBondContact O-N 3.33Å; R567-R845 HydrophobicContact CG-CB 4.13Å; R567-R845 HydrophobicContact CG-CG 4.49Å; R567-R845 PolarHBondContact NE-O 3.34Å; R567-R845 PolarHBondContact NH2-O 3.15Å; R567-E847 IonicContact NH2-OE1 3.87Å
568	L	93.1	Very high	91	Very high	109 Å²	109	46.7 Å²	46.7	57%	0.571	25%	0.249	S	C	*	.	H	α-helix	trans	-106.7	-17.1	-169.7	-58.4	174.3	0	0	0	114.7	V516 D564 I565 S570	V516-L568 HydrophobicContact CG1-CB 4.04Å; V516-L568 HydrophobicContact CG1-CD1 4.16Å; V516-L568 HydrophobicContact CG2-CB 3.75Å; D564-L568 WeakPolarHBondContact O-CB 3.33Å; D564-L568 VanDerWaalsContact O-CG 3.24Å; D564-L568 WeakPolarHBondContact O-CG 3.49Å; D564-L568 PolarHBondContact O-N 3.46Å; I565-L568 PolarHBondContact O-N 3.2Å; L568-S570 PolarHBondContact O-N 3.01Å
569	L	94.6	Very high	90.9	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.021	25%	0.25	C	C	.	.			trans	-76.9	91	-176	-170	72.5	0	0	0	110.8	V516 V544 I565 L571 I581	V516-L569 HydrophobicContact CG2-CB 3.74Å; V516-L569 HydrophobicContact CG2-CD1 3.85Å; V516-L569 HydrophobicContact CG2-CG 4.43Å; V544-L569 HydrophobicContact CB-CD2 4.32Å; V544-L569 HydrophobicContact CG1-CD2 3.83Å; V544-L569 HydrophobicContact CG2-CD2 3.58Å; I565-L569 HydrophobicContact CG2-CB 4.25Å; I565-L569 HydrophobicContact CG2-CD2 4.11Å; I565-L569 WeakPolarHBondContact O-CB 3.31Å; I565-L569 PolarHBondContact O-N 3.16Å; L569-L571 HydrophobicContact CD2-CD1 3.7Å; L569-L571 HydrophobicContact CD2-CG 4.5Å; L569-L571 HydrophobicContact CG-CD1 3.89Å; L569-L571 HydrophobicContact CG-CG 4.16Å; L569-L571 PolarHBondContact O-N 3.49Å; L569-I581 HydrophobicContact CB-CD1 4.31Å; L569-I581 HydrophobicContact CD2-CD1 3.97Å; L569-I581 WeakPolarHBondContact O-CG2 3.38Å
570	S	93.9	Very high	90.7	Very high	78 Å²	78	46.6 Å²	46.6	55%	0.545	25%	0.249	S	C	.	.			trans	-73.4	96.3	-176.4	-165.8	0	0	0	0	111.8	S514 L568	S514-S570 WeakPolarHBondContact CB-O 3.37Å; S514-S570 PolarHBondContact OG-N 2.88Å; S514-S570 PolarHBondContact OG-O 3.14Å; S514-S570 VanDerWaalsContact OG-O 3.07Å; L568-S570 PolarHBondContact O-N 3.01Å
571	L	93.6	Very high	90.8	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.026	23%	0.233	C	C	.	.			trans	-130.7	166.2	177	-69.2	172.5	0	0	0	111.3	L569 I581 R584 F585	L569-L571 HydrophobicContact CD2-CD1 3.7Å; L569-L571 HydrophobicContact CD2-CG 4.5Å; L569-L571 HydrophobicContact CG-CD1 3.89Å; L569-L571 HydrophobicContact CG-CG 4.16Å; L569-L571 PolarHBondContact O-N 3.49Å; L571-I581 HydrophobicContact CB-CG2 4.31Å; L571-R584 VanDerWaalsContact O-CD 3.26Å; L571-R584 WeakPolarHBondContact O-CD 3.35Å; L571-R584 PolarHBondContact O-NH1 2.83Å; L571-F585 HydrophobicContact CB-CE2 4.33Å; L571-F585 HydrophobicContact CB-CZ 3.76Å
572	G	90	Very high	90.8	Very high	32 Å²	32	43.6 Å²	43.6	33%	0.33	24%	0.235	S	C	.	.	S	Bend	trans	72.4	-161.9	178.7	0	0	0	0	0	113.6	S533	S533-G572 PolarHBondContact OG-N 3.21Å; S533-G572 VanDerWaalsContact OG-N 3.14Å
573	D	82.6	Confident	90.7	Very high	79 Å²	79	43.8 Å²	43.8	42%	0.422	24%	0.237	S	C	.	.			trans	-67.4	134.5	-179.7	-172.1	1.7	0	0	0	111.6	Q575 L576	D573-Q575 VanDerWaalsContact C-N 3.33Å; D573-Q575 WeakPolarHBondContact OD1-CG 3.22Å; D573-Q575 PolarHBondContact OD1-N 3.02Å; D573-L576 HydrophobicContact CB-CD1 4.35Å; D573-L576 HydrophobicContact CB-CG 4.23Å; D573-L576 PolarHBondContact O-N 3.15Å
574	K	80.3	Confident	90.7	Very high	177 Å²	177	44.2 Å²	44.2	77%	0.77	24%	0.237	S	C	*	.	S	Bend	trans	-75.2	-20.9	176.3	-62.7	-179.5	-177.4	176.9	0	112.4	L576 S577	K574-L576 PolarHBondContact O-N 2.9Å; K574-S577 WeakPolarHBondContact O-CB 3.37Å; K574-S577 PolarHBondContact O-N 2.86Å
575	Q	80	Confident	90.8	Very high	126 Å²	126	43.7 Å²	43.7	59%	0.589	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-28.9	171.7	-57.2	-169.1	32.4	0	0	111.6	D573 S577	D573-Q575 VanDerWaalsContact C-N 3.33Å; D573-Q575 WeakPolarHBondContact OD1-CG 3.22Å; D573-Q575 PolarHBondContact OD1-N 3.02Å; Q575-S577 PolarHBondContact O-N 2.85Å; Q575-S577 VanDerWaalsContact O-N 3.08Å
576	L	85.9	Confident	90.8	Very high	22 Å²	22	44.6 Å²	44.6	12%	0.115	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	33	174.3	-57	-178.7	0	0	0	112.6	D573 K574 S578 F579 R584 Y756 L808	D573-L576 HydrophobicContact CB-CD1 4.35Å; D573-L576 HydrophobicContact CB-CG 4.23Å; D573-L576 PolarHBondContact O-N 3.15Å; K574-L576 PolarHBondContact O-N 2.9Å; L576-S578 PolarHBondContact O-N 3.13Å; L576-S578 VanDerWaalsContact O-N 3.16Å; L576-F579 HydrophobicContact CB-CD2 3.95Å; L576-F579 HydrophobicContact CD2-CD2 4.04Å; L576-F579 HydrophobicContact CD2-CE2 4.08Å; L576-F579 PolarHBondContact O-N 3.38Å; L576-R584 HydrophobicContact CB-CG 4.1Å; L576-R584 HydrophobicContact CD1-CB 4.46Å; L576-R584 HydrophobicContact CD1-CG 4.33Å; L576-R584 PolarHBondContact O-NE 2.83Å; L576-R584 PolarHBondContact O-NH2 2.8Å; L576-Y756 HydrophobicContact CD2-CD1 3.78Å; L576-Y756 HydrophobicContact CD2-CG 3.99Å; L576-L808 HydrophobicContact CD1-CD2 3.81Å; L576-L808 HydrophobicContact CD2-CD2 3.92Å; L576-L808 HydrophobicContact CG-CD2 4.47Å
577	S	78.9	Confident	90.9	Very high	85 Å²	85	44.5 Å²	44.5	59%	0.594	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.3	-178.3	60	0	0	0	0	113.9	K574 Q575 F579	K574-S577 WeakPolarHBondContact O-CB 3.37Å; K574-S577 PolarHBondContact O-N 2.86Å; Q575-S577 PolarHBondContact O-N 2.85Å; Q575-S577 VanDerWaalsContact O-N 3.08Å; S577-F579 VanDerWaalsContact C-N 3.28Å; S577-F579 PolarHBondContact O-N 3.44Å
578	S	83.5	Confident	91.3	Very high	29 Å²	29	40 Å²	40	20%	0.203	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.9	179	-57.7	0	0	0	0	114.2	L576 K812	L576-S578 PolarHBondContact O-N 3.13Å; L576-S578 VanDerWaalsContact O-N 3.16Å; S578-K812 WeakPolarHBondContact OG-CE 3.5Å; S578-K812 PolarHBondContact OG-NZ 2.92Å
579	F	92.9	Very high	91.6	Very high	3 Å²	3	34.9 Å²	34.9	1%	0.013	20%	0.195	C	C	.	.	S	Bend	trans	-107.5	138.2	178.7	-58.2	-93	0	0	0	109.9	L576 S577 L583 R584 Y756 L808 T810 E822	L576-F579 HydrophobicContact CB-CD2 3.95Å; L576-F579 HydrophobicContact CD2-CD2 4.04Å; L576-F579 HydrophobicContact CD2-CE2 4.08Å; L576-F579 PolarHBondContact O-N 3.38Å; S577-F579 VanDerWaalsContact C-N 3.28Å; S577-F579 PolarHBondContact O-N 3.44Å; F579-L583 HydrophobicContact CB-CB 4.41Å; F579-L583 HydrophobicContact CD1-CB 4.17Å; F579-L583 HydrophobicContact CD1-CD1 4.43Å; F579-R584 HydrophobicContact CB-CG 4.27Å; F579-R584 VanDerWaalsContact O-CZ 3.25Å; F579-R584 PolarHBondContact O-NE 2.91Å; F579-R584 PolarHBondContact O-NH2 2.86Å; F579-Y756 AromaticContact CE2-CD2 3.56Å; F579-Y756 HydrophobicContact CE2-CD2 3.56Å; F579-Y756 AromaticContact CE2-CE2 3.87Å; F579-Y756 HydrophobicContact CE2-CE2 3.87Å; F579-Y756 AromaticContact CE2-CG 3.94Å; F579-Y756 HydrophobicContact CE2-CG 3.94Å; F579-Y756 AromaticContact CZ-CD2 3.79Å; F579-Y756 HydrophobicContact CZ-CD2 3.79Å; F579-Y756 HydrophobicContact CZ-CE2 4.32Å; F579-Y756 HydrophobicContact CZ-CG 4.39Å; F579-L808 HydrophobicContact CD1-CB 4.47Å; F579-L808 HydrophobicContact CD1-CD2 4.28Å; F579-L808 HydrophobicContact CD2-CD2 4.47Å; F579-L808 HydrophobicContact CE1-CB 3.74Å; F579-L808 HydrophobicContact CE1-CD2 4.33Å; F579-L808 HydrophobicContact CE1-CG 4.43Å; F579-L808 HydrophobicContact CE2-CB 4.37Å; F579-L808 HydrophobicContact CE2-CD2 4.5Å; F579-L808 HydrophobicContact CG-CD2 4.38Å; F579-L808 HydrophobicContact CZ-CB 3.69Å; F579-L808 HydrophobicContact CZ-CD2 4.44Å; F579-T810 HydrophobicContact CE2-CG2 4.32Å; F579-T810 HydrophobicContact CZ-CG2 3.91Å; F579-E822 HydrophobicContact CD1-CB 3.66Å; F579-E822 HydrophobicContact CD1-CG 3.56Å; F579-E822 HydrophobicContact CE1-CB 3.83Å; F579-E822 HydrophobicContact CE1-CG 3.85Å; F579-E822 HydrophobicContact CG-CG 4.26Å
580	D	93.4	Very high	91.8	Very high	15 Å²	15	34.7 Å²	34.7	8%	0.08	19%	0.194	C	C	.	.			trans	-72.2	166.8	164.8	77.1	39.7	0	0	0	111.5	L566 S582 L583 G846	L566-D580 HydrophobicContact CD1-CB 4.43Å; L566-D580 HydrophobicContact CG-CB 4.26Å; D580-S582 PolarHBondContact O-N 2.6Å; D580-S582 WeakPolarHBondContact OD1-CA 3.45Å; D580-S582 WeakPolarHBondContact OD1-CB 3.47Å; D580-S582 PolarHBondContact OD1-N 3.35Å; D580-S582 PolarHBondContact OD1-OG 3.33Å; D580-L583 PolarHBondContact O-N 2.87Å; D580-L583 VanDerWaalsContact O-N 3.09Å; D580-G846 PolarHBondContact OD2-N 3.5Å
581	I	95.9	Very high	92	Very high	3 Å²	3	31 Å²	31	2%	0.015	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-58	-22.1	-175	56.8	171.4	0	0	0	113.7	V544 L566 L569 L571 L583 R584 F585 L588 W590	V544-I581 HydrophobicContact CG2-CD1 4.03Å; L566-I581 HydrophobicContact CD1-CD1 4.49Å; L566-I581 HydrophobicContact CD1-CG1 3.78Å; L569-I581 HydrophobicContact CB-CD1 4.31Å; L569-I581 HydrophobicContact CD2-CD1 3.97Å; L569-I581 WeakPolarHBondContact O-CG2 3.38Å; L571-I581 HydrophobicContact CB-CG2 4.31Å; I581-L583 PolarHBondContact O-N 3.17Å; I581-L583 VanDerWaalsContact O-N 3.15Å; I581-R584 PolarHBondContact O-N 2.89Å; I581-F585 HydrophobicContact CB-CE2 4.08Å; I581-F585 HydrophobicContact CG2-CE2 4.31Å; I581-F585 WeakPolarHBondContact O-CD2 3.5Å; I581-L588 HydrophobicContact CG1-CD2 4.46Å; I581-W590 HydrophobicContact CD1-CZ3 4.02Å
582	S	95.1	Very high	92.2	Very high	8 Å²	8	30.7 Å²	30.7	6%	0.056	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-71.9	-3.9	-179.8	83.6	0	0	0	0	114	D580 K681	D580-S582 PolarHBondContact O-N 2.6Å; D580-S582 WeakPolarHBondContact OD1-CA 3.45Å; D580-S582 WeakPolarHBondContact OD1-CB 3.47Å; D580-S582 PolarHBondContact OD1-N 3.35Å; D580-S582 PolarHBondContact OD1-OG 3.33Å; S582-K681 VanDerWaalsContact CB-NZ 3.32Å; S582-K681 VanDerWaalsContact O-CD 3.3Å; S582-K681 WeakPolarHBondContact O-CD 3.2Å; S582-K681 WeakPolarHBondContact O-CE 3.5Å; S582-K681 PolarHBondContact O-NZ 2.84Å; S582-K681 PolarHBondContact OG-NZ 3.02Å
583	L	95.6	Very high	92.7	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.031	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-130.7	11.1	174.1	-69	174.4	0	0	0	113.6	F579 D580 I581 Y683 L808 E822 V824	F579-L583 HydrophobicContact CB-CB 4.41Å; F579-L583 HydrophobicContact CD1-CB 4.17Å; F579-L583 HydrophobicContact CD1-CD1 4.43Å; D580-L583 PolarHBondContact O-N 2.87Å; D580-L583 VanDerWaalsContact O-N 3.09Å; I581-L583 PolarHBondContact O-N 3.17Å; I581-L583 VanDerWaalsContact O-N 3.15Å; L583-Y683 PolarHBondContact O-OH 2.8Å; L583-Y683 VanDerWaalsContact O-OH 3.06Å; L583-L808 WeakPolarHBondContact O-CD2 3.3Å; L583-E822 HydrophobicContact CD1-CB 3.45Å; L583-E822 VanDerWaalsContact CD1-CB 3.45Å; L583-V824 HydrophobicContact CD2-CB 4.35Å; L583-V824 HydrophobicContact CD2-CG1 3.87Å
584	R	95.7	Very high	93.4	Very high	31 Å²	31	25.5 Å²	25.5	12%	0.117	13%	0.131	C	C	.	.	S	Bend	trans	-92	-13.2	176.8	-68.8	-174.2	-170.9	-176.7	1.7	115	L571 L576 F579 I581 Y683	L571-R584 VanDerWaalsContact O-CD 3.26Å; L571-R584 WeakPolarHBondContact O-CD 3.35Å; L571-R584 PolarHBondContact O-NH1 2.83Å; L576-R584 HydrophobicContact CB-CG 4.1Å; L576-R584 HydrophobicContact CD1-CB 4.46Å; L576-R584 HydrophobicContact CD1-CG 4.33Å; L576-R584 PolarHBondContact O-NE 2.83Å; L576-R584 PolarHBondContact O-NH2 2.8Å; F579-R584 HydrophobicContact CB-CG 4.27Å; F579-R584 VanDerWaalsContact O-CZ 3.25Å; F579-R584 PolarHBondContact O-NE 2.91Å; F579-R584 PolarHBondContact O-NH2 2.86Å; I581-R584 PolarHBondContact O-N 2.89Å; R584-Y683 VanDerWaalsContact C-OH 3.3Å
585	F	97	Very high	94.3	Very high	7 Å²	7	17.2 Å²	17.2	3%	0.031	10%	0.095	C	C	.	.			trans	-126.2	136.2	-170.6	-53	-67.3	0	0	0	112.2	S540 L571 I581 H587 L588 Y683	S540-F585 WeakPolarHBondContact OG-CA 3.39Å; L571-F585 HydrophobicContact CB-CE2 4.33Å; L571-F585 HydrophobicContact CB-CZ 3.76Å; I581-F585 HydrophobicContact CB-CE2 4.08Å; I581-F585 HydrophobicContact CG2-CE2 4.31Å; I581-F585 WeakPolarHBondContact O-CD2 3.5Å; F585-H587 PolarHBondContact O-N 2.81Å; F585-L588 HydrophobicContact CB-CB 4.34Å; F585-L588 HydrophobicContact CD2-CB 4.29Å; F585-L588 HydrophobicContact CD2-CD1 4.03Å; F585-L588 HydrophobicContact CE2-CD1 4.45Å; F585-Y683 PolarHBondContact N-OH 2.68Å; F585-Y683 WeakPolarHBondContact O-CD1 3.07Å; F585-Y683 WeakPolarHBondContact O-CE1 3.24Å
586	T	97.5	Very high	95.2	Very high	19 Å²	19	11.3 Å²	11.3	12%	0.117	7%	0.068	C	C	.	.	S	Bend	trans	-54.2	-39.6	169.2	-42	0	0	0	0	110.6	T539 S540 S682 Y683 T686	T539-T586 HydrophobicContact CG2-CG2 3.97Å; S540-T586 PolarHBondContact N-OG1 2.87Å; S540-T586 WeakPolarHBondContact O-CB 3.41Å; S540-T586 PolarHBondContact O-N 3.14Å; S540-T586 PolarHBondContact OG-N 3.37Å; S540-T586 PolarHBondContact OG-OG1 2.94Å; T586-S682 CarbonylContact O-C 3.55Å; T586-S682 WeakPolarHBondContact O-CA 3.47Å; T586-S682 WeakPolarHBondContact O-CB 3.36Å; T586-Y683 HydrophobicContact CG2-CD2 4.11Å; T586-Y683 PolarHBondContact O-N 2.91Å; T586-T686 HydrophobicContact CG2-CG2 3.77Å
587	H	98.7	Very high	95.7	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	116.5	170.7	-54.2	-76.7	0	0	0	111.2	S540 F541 G542 F585 F589 S682 T686 V713	S540-H587 PolarHBondContact O-N 2.91Å; S540-H587 VanDerWaalsContact O-N 3.09Å; F541-H587 WeakPolarHBondContact CA-O 3.41Å; F541-H587 HydrophobicContact CD1-CB 3.91Å; F541-H587 HydrophobicContact CE1-CB 3.85Å; F541-H587 AromaticContact CE1-CD2 3.84Å; F541-H587 AromaticContact CZ-CD2 3.95Å; G542-H587 PolarHBondContact N-O 3.19Å; F585-H587 PolarHBondContact O-N 2.81Å; H587-F589 HydrophobicContact CB-CE2 3.86Å; H587-F589 HydrophobicContact CB-CZ 4.42Å; H587-S682 WeakPolarHBondContact ND1-CB 3.38Å; H587-S682 PolarHBondContact ND1-OG 3.14Å; H587-T686 PolarHBondContact CE1-OG1 3.42Å; H587-V713 VanDerWaalsContact CD2-CG1 3.41Å; H587-V713 WeakPolarHBondContact CD2-CG1 3.32Å; H587-V713 VanDerWaalsContact NE2-CG1 3.31Å; H587-V713 WeakPolarHBondContact NE2-CG1 3.47Å
588	L	98.8	Very high	96.6	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.01	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.5	170	173.8	63.7	0	0	0	109.5	G542 V544 I581 F585 F636 W680 K681	G542-L588 WeakPolarHBondContact O-CA 3.5Å; V544-L588 HydrophobicContact CG2-CD1 4.02Å; I581-L588 HydrophobicContact CG1-CD2 4.46Å; F585-L588 HydrophobicContact CB-CB 4.34Å; F585-L588 HydrophobicContact CD2-CB 4.29Å; F585-L588 HydrophobicContact CD2-CD1 4.03Å; F585-L588 HydrophobicContact CE2-CD1 4.45Å; L588-F636 HydrophobicContact CD2-CE1 3.97Å; L588-F636 HydrophobicContact CD2-CZ 3.71Å; L588-F636 HydrophobicContact CG-CE1 4.28Å; L588-W680 CarbonylContact O-C 3.51Å; L588-W680 VanDerWaalsContact O-CA 3.26Å; L588-W680 WeakPolarHBondContact O-CA 3.49Å; L588-K681 PolarHBondContact N-O 2.65Å; L588-K681 PolarHBondContact O-N 3.34Å
589	F	98.9	Very high	97.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	135.1	171.3	-62.8	-86.7	0	0	0	110.4	I412 I414 F541 G542 F543 V544 H587 W680 I688 F711 V713	I412-F589 HydrophobicContact CD1-CE2 4.4Å; I414-F589 HydrophobicContact CD1-CB 3.65Å; I414-F589 HydrophobicContact CD1-CD1 3.23Å; I414-F589 HydrophobicContact CD1-CD2 4Å; I414-F589 HydrophobicContact CD1-CE1 3.79Å; I414-F589 HydrophobicContact CD1-CE2 4.46Å; I414-F589 HydrophobicContact CD1-CG 3.34Å; I414-F589 HydrophobicContact CD1-CZ 4.36Å; F541-F589 HydrophobicContact CD1-CE2 4.17Å; F541-F589 HydrophobicContact CE1-CE2 4.29Å; G542-F589 PolarHBondContact O-N 2.83Å; F543-F589 CarbonylContact C-O 3.58Å; F543-F589 WeakPolarHBondContact CA-O 3.46Å; F543-F589 HydrophobicContact CD1-CB 3.76Å; F543-F589 AromaticContact CD1-CD2 3.85Å; F543-F589 HydrophobicContact CD1-CD2 3.85Å; F543-F589 HydrophobicContact CD1-CG 4.12Å; F543-F589 HydrophobicContact CE1-CB 4.08Å; F543-F589 AromaticContact CE1-CD2 3.32Å; F543-F589 HydrophobicContact CE1-CD2 3.32Å; F543-F589 AromaticContact CE1-CE2 3.97Å; F543-F589 HydrophobicContact CE1-CE2 3.97Å; F543-F589 AromaticContact CE1-CG 3.91Å; F543-F589 HydrophobicContact CE1-CG 3.91Å; F543-F589 AromaticContact CZ-CD2 3.95Å; F543-F589 HydrophobicContact CZ-CD2 3.95Å; F543-F589 HydrophobicContact CZ-CE2 4.31Å; V544-F589 PolarHBondContact N-O 3.42Å; H587-F589 HydrophobicContact CB-CE2 3.86Å; H587-F589 HydrophobicContact CB-CZ 4.42Å; F589-W680 HydrophobicContact CD1-CB 3.58Å; F589-W680 HydrophobicContact CE1-CB 3.8Å; F589-W680 HydrophobicContact CE1-CG 4.34Å; F589-W680 HydrophobicContact CG-CB 4.4Å; F589-I688 HydrophobicContact CE1-CD1 3.9Å; F589-I688 HydrophobicContact CZ-CD1 3.67Å; F589-F711 HydrophobicContact CD1-CD2 4.28Å; F589-F711 HydrophobicContact CD1-CE2 4.14Å; F589-F711 HydrophobicContact CD1-CZ 4.37Å; F589-F711 HydrophobicContact CE1-CB 4.35Å; F589-F711 AromaticContact CE1-CD1 3.88Å; F589-F711 HydrophobicContact CE1-CD1 3.88Å; F589-F711 AromaticContact CE1-CD2 3.64Å; F589-F711 HydrophobicContact CE1-CD2 3.64Å; F589-F711 HydrophobicContact CE1-CE1 4.08Å; F589-F711 AromaticContact CE1-CE2 3.87Å; F589-F711 HydrophobicContact CE1-CE2 3.87Å; F589-F711 AromaticContact CE1-CG 3.66Å; F589-F711 HydrophobicContact CE1-CG 3.66Å; F589-F711 HydrophobicContact CE1-CZ 4.08Å; F589-F711 HydrophobicContact CZ-CB 4.35Å; F589-F711 HydrophobicContact CZ-CD2 4.33Å; F589-F711 HydrophobicContact CZ-CG 4.14Å; F589-V713 HydrophobicContact CZ-CG2 4.29Å
590	W	98.9	Very high	97.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117.4	176.8	-160.9	-47.3	0	0	0	109	V544 C546 Y562 I565 L566 I581 F633 F636 L679	V544-W590 HydrophobicContact CB-CD2 4.01Å; V544-W590 HydrophobicContact CB-CE3 4.41Å; V544-W590 HydrophobicContact CB-CG 4.05Å; V544-W590 HydrophobicContact CG1-CD2 3.95Å; V544-W590 HydrophobicContact CG1-CE3 4.47Å; V544-W590 HydrophobicContact CG1-CG 4.29Å; V544-W590 HydrophobicContact CG1-CZ2 4.17Å; V544-W590 HydrophobicContact CG2-CE3 4.44Å; C546-W590 PolarHBondContact SG-NE1 2.92Å; Y562-W590 AromaticContact CD2-CH2 3.6Å; Y562-W590 HydrophobicContact CD2-CH2 3.6Å; Y562-W590 AromaticContact CD2-CZ2 3.82Å; Y562-W590 HydrophobicContact CD2-CZ2 3.82Å; Y562-W590 HydrophobicContact CD2-CZ3 4.04Å; Y562-W590 HydrophobicContact CE2-CE3 4.29Å; Y562-W590 AromaticContact CE2-CH2 3.83Å; Y562-W590 HydrophobicContact CE2-CH2 3.83Å; Y562-W590 HydrophobicContact CE2-CZ2 4.39Å; Y562-W590 AromaticContact CE2-CZ3 3.78Å; Y562-W590 HydrophobicContact CE2-CZ3 3.78Å; I565-W590 HydrophobicContact CB-CH2 3.83Å; I565-W590 HydrophobicContact CB-CZ2 3.82Å; I565-W590 HydrophobicContact CD1-CZ2 4.14Å; I565-W590 HydrophobicContact CG2-CH2 3.51Å; I565-W590 HydrophobicContact CG2-CZ2 3.48Å; I565-W590 VanDerWaalsContact CG2-CZ2 3.48Å; I565-W590 HydrophobicContact CG2-CZ3 4.49Å; L566-W590 HydrophobicContact CB-CH2 4.29Å; L566-W590 HydrophobicContact CB-CZ3 4.45Å; L566-W590 HydrophobicContact CD1-CZ3 4.21Å; I581-W590 HydrophobicContact CD1-CZ3 4.02Å; W590-F633 HydrophobicContact CB-CE1 4.15Å; W590-F633 AromaticContact CD1-CE1 3.85Å; W590-F633 AromaticContact CD2-CE1 3.71Å; W590-F633 HydrophobicContact CD2-CE1 3.71Å; W590-F633 HydrophobicContact CD2-CZ 4.43Å; W590-F633 AromaticContact CE2-CE1 3.92Å; W590-F633 HydrophobicContact CE3-CE1 4.24Å; W590-F633 AromaticContact CG-CE1 3.66Å; W590-F633 HydrophobicContact CG-CE1 3.66Å; W590-F633 HydrophobicContact CG-CZ 4.42Å; W590-F636 HydrophobicContact CB-CE1 4.13Å; W590-F636 HydrophobicContact CE3-CE1 4.33Å; W590-F636 HydrophobicContact CE3-CZ 4.16Å; W590-L679 PolarHBondContact N-O 3.07Å; W590-L679 PolarHBondContact O-N 3.19Å
591	L	98.8	Very high	97.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	166	-177.6	58.5	146.6	0	0	0	110.2	I414 G415 V544 N545 C546 R677 I678	I414-L591 HydrophobicContact CG2-CB 4.26Å; I414-L591 HydrophobicContact CG2-CD1 3.88Å; I414-L591 HydrophobicContact CG2-CD2 3.85Å; I414-L591 HydrophobicContact CG2-CG 4.22Å; G415-L591 VanDerWaalsContact O-CD1 3.28Å; G415-L591 WeakPolarHBondContact O-CD1 3.21Å; V544-L591 WeakPolarHBondContact O-CD2 3.16Å; V544-L591 WeakPolarHBondContact O-CG 3.47Å; V544-L591 PolarHBondContact O-N 3.46Å; N545-L591 VanDerWaalsContact CA-O 3.32Å; N545-L591 WeakPolarHBondContact CA-O 3.13Å; N545-L591 HydrophobicContact CB-CD1 4.29Å; N545-L591 HydrophobicContact CB-CG 4.17Å; C546-L591 PolarHBondContact N-O 3.01Å; C546-L591 VanDerWaalsContact N-O 3.13Å; L591-R677 VanDerWaalsContact CA-O 3.29Å; L591-R677 WeakPolarHBondContact CA-O 3.11Å; L591-I678 HydrophobicContact CB-CG1 4.13Å
592	G	98.7	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.1	-173.9	167.9	0	0	0	0	0	114.6	T416 N545 C546 L594 D676 R677	T416-G592 VanDerWaalsContact OG1-CA 3.3Å; T416-G592 WeakPolarHBondContact OG1-CA 3.38Å; N545-G592 WeakPolarHBondContact OD1-CA 3.28Å; C546-G592 VanDerWaalsContact O-CA 3.27Å; C546-G592 WeakPolarHBondContact O-CA 3.48Å; G592-L594 PolarHBondContact O-N 2.89Å; G592-D676 WeakPolarHBondContact O-CA 3.47Å; G592-R677 PolarHBondContact N-O 3.1Å; G592-R677 VanDerWaalsContact N-O 3.15Å; G592-R677 PolarHBondContact O-N 2.95Å
593	D	98.8	Very high	97	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	92.2	158.2	-177.8	-7.8	0	0	0	107.5	N418 Q458 C546 H547 L548 N595 C675 H704	N418-D593 HydrophobicContact CB-CB 4.37Å; N418-D593 PolarHBondContact ND2-OD2 3.38Å; Q458-D593 HydrophobicContact CB-CB 4.4Å; Q458-D593 HydrophobicContact CG-CB 3.93Å; C546-D593 PolarHBondContact O-N 3.32Å; H547-D593 WeakPolarHBondContact CA-O 3.01Å; H547-D593 IonicContact CD2-OD2 3.94Å; H547-D593 IonicContact NE2-OD2 2.75Å; L548-D593 PolarHBondContact N-O 2.84Å; D593-N595 PolarHBondContact O-N 2.71Å; D593-N595 WeakPolarHBondContact OD1-CA 3.26Å; D593-N595 VanDerWaalsContact OD1-CG 3.28Å; D593-N595 PolarHBondContact OD1-N 2.86Å; D593-N595 PolarHBondContact OD1-ND2 3.33Å; D593-N595 PolarHBondContact OD2-ND2 2.86Å; D593-C675 WeakPolarHBondContact OD1-CB 3.19Å; D593-H704 IonicContact OD2-CE1 3.21Å; D593-H704 PolarHBondContact OD2-CE1 2.88Å; D593-H704 VanDerWaalsContact OD2-CE1 3.3Å; D593-H704 IonicContact OD2-NE2 3.79Å
594	L	98.7	Very high	97.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.			trans	-77.9	-10.8	178.8	-52.4	-166.9	0	0	0	112	C546 L548 R558 G592 Y596 L623 F633 C675 R677 L679	C546-L594 WeakPolarHBondContact SG-CD2 3.3Å; L548-L594 HydrophobicContact CD1-CB 4.15Å; L548-L594 HydrophobicContact CD1-CD2 4.05Å; L548-L594 HydrophobicContact CG-CD2 4.31Å; R558-L594 WeakPolarHBondContact CD-O 3.11Å; G592-L594 PolarHBondContact O-N 2.89Å; L594-Y596 HydrophobicContact CB-CD2 3.74Å; L594-Y596 HydrophobicContact CB-CE2 4.07Å; L594-Y596 WeakPolarHBondContact O-CD2 3.41Å; L594-Y596 PolarHBondContact O-N 2.94Å; L594-L623 HydrophobicContact CD1-CD2 3.72Å; L594-F633 HydrophobicContact CD1-CE2 4.12Å; L594-F633 HydrophobicContact CD1-CZ 3.86Å; L594-F633 HydrophobicContact CD2-CZ 4.4Å; L594-C675 PolarHBondContact N-O 3.5Å; L594-R677 HydrophobicContact CB-CG 4.49Å; L594-R677 HydrophobicContact CD1-CB 3.68Å; L594-R677 HydrophobicContact CD1-CG 4.07Å; L594-R677 HydrophobicContact CG-CB 4.01Å; L594-R677 HydrophobicContact CG-CG 4.28Å; L594-L679 HydrophobicContact CD1-CD1 3.63Å
595	N	98.1	Very high	97.2	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	12%	0.12	C	C	.	.			trans	55	12.2	172.8	-113.4	-72.4	0	0	0	117.2	S550 R558 D593 R597 C675	S550-N595 VanDerWaalsContact CA-OD1 3.32Å; S550-N595 WeakPolarHBondContact CA-OD1 3.18Å; S550-N595 VanDerWaalsContact CB-CG 3.48Å; S550-N595 WeakPolarHBondContact CB-OD1 3.48Å; R558-N595 PolarHBondContact NH1-O 3.13Å; D593-N595 PolarHBondContact O-N 2.71Å; D593-N595 WeakPolarHBondContact OD1-CA 3.26Å; D593-N595 VanDerWaalsContact OD1-CG 3.28Å; D593-N595 PolarHBondContact OD1-N 2.86Å; D593-N595 PolarHBondContact OD1-ND2 3.33Å; D593-N595 PolarHBondContact OD2-ND2 2.86Å; N595-R597 PolarHBondContact O-NE 3.41Å; N595-R597 PolarHBondContact OD1-NE 2.6Å; N595-R597 PolarHBondContact OD1-NH2 3.3Å; N595-C675 PolarHBondContact N-O 2.96Å
596	Y	98.5	Very high	97.2	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	13%	0.127	C	C	.	.			trans	-64.9	148.9	168.9	-68.8	-87.8	0	0	0	110.5	L548 I555 R558 N559 L594 Q622 L623	L548-Y596 HydrophobicContact CD1-CE2 4.12Å; I555-Y596 HydrophobicContact CG2-CE1 4.47Å; R558-Y596 HydrophobicContact CB-CE1 3.87Å; R558-Y596 HydrophobicContact CB-CE2 4.15Å; N559-Y596 PolarHBondContact OD1-OH 2.98Å; L594-Y596 HydrophobicContact CB-CD2 3.74Å; L594-Y596 HydrophobicContact CB-CE2 4.07Å; L594-Y596 WeakPolarHBondContact O-CD2 3.41Å; L594-Y596 PolarHBondContact O-N 2.94Å; Y596-Q622 HydrophobicContact CD1-CB 3.85Å; Y596-Q622 HydrophobicContact CG-CB 4.49Å; Y596-L623 HydrophobicContact CD1-CB 4.23Å; Y596-L623 HydrophobicContact CD2-CB 3.87Å; Y596-L623 HydrophobicContact CD2-CD1 4.05Å; Y596-L623 HydrophobicContact CD2-CD2 4.37Å; Y596-L623 HydrophobicContact CD2-CG 4.32Å; Y596-L623 HydrophobicContact CE2-CB 4.48Å; Y596-L623 HydrophobicContact CE2-CD1 3.82Å; Y596-L623 HydrophobicContact CG-CB 3.74Å
597	R	97.4	Very high	97.1	Very high	1 Å²	1	28 Å²	28	0%	0.004	14%	0.142	C	C	.	.			trans	-124.3	169	-168.3	-54.8	-62.6	-178.7	93.1	-14.3	112.2	N552 N595 Q622 N670 S673	N552-R597 HydrophobicContact CB-CB 4.34Å; N552-R597 HydrophobicContact CB-CG 4.34Å; N552-R597 WeakPolarHBondContact OD1-CG 3.28Å; N552-R597 PolarHBondContact OD1-NH1 2.59Å; N595-R597 PolarHBondContact O-NE 3.41Å; N595-R597 PolarHBondContact OD1-NE 2.6Å; N595-R597 PolarHBondContact OD1-NH2 3.3Å; R597-Q622 WeakPolarHBondContact O-CB 3.32Å; R597-Q622 WeakPolarHBondContact O-CG 3.13Å; R597-Q622 PolarHBondContact O-N 3.44Å; R597-N670 PolarHBondContact NH1-OD1 3.05Å; R597-S673 VanDerWaalsContact CA-OG 3.27Å; R597-S673 WeakPolarHBondContact CA-OG 3.13Å; R597-S673 WeakPolarHBondContact CD-OG 3.45Å
598	L	97.5	Very high	97.1	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-83.1	136.4	166.6	-58.5	-173	0	0	0	110.5	I605 L617 V620 D621 V671 P672 S673 W674	L598-I605 HydrophobicContact CB-CD1 3.82Å; L598-I605 HydrophobicContact CD1-CD1 4.04Å; L598-I605 HydrophobicContact CD1-CG1 4.03Å; L598-I605 HydrophobicContact CD1-CG2 4.03Å; L598-L617 HydrophobicContact CD1-CB 4.03Å; L598-L617 HydrophobicContact CD1-CD1 4.3Å; L598-L617 HydrophobicContact CD1-CD2 4.3Å; L598-L617 HydrophobicContact CD1-CG 4.45Å; L598-L617 WeakPolarHBondContact CD2-O 3.35Å; L598-V620 HydrophobicContact CB-CG2 4.45Å; L598-V620 HydrophobicContact CD2-CG2 4.46Å; L598-D621 HydrophobicContact CD2-CB 4.1Å; L598-V671 HydrophobicContact CB-CG2 4.22Å; L598-P672 WeakPolarHBondContact CD1-O 3.4Å; L598-P672 WeakPolarHBondContact CG-O 3.08Å; L598-S673 PolarHBondContact N-OG 3.04Å; L598-S673 VanDerWaalsContact N-OG 3.11Å; L598-W674 HydrophobicContact CD1-CZ3 4.28Å; L598-W674 HydrophobicContact CD2-CE3 3.85Å; L598-W674 HydrophobicContact CD2-CZ3 3.85Å
599	D	93.4	Very high	97	Very high	114 Å²	114	31.8 Å²	31.8	61%	0.61	16%	0.157	S	C	*	.			trans	-101.7	70.1	176.1	-160	23	0	0	0	110.5	V620	D599-V620 PolarHBondContact N-O 3.17Å
600	M	94.4	Very high	96.9	Very high	44 Å²	44	37.9 Å²	37.9	22%	0.217	19%	0.19	C	C	.	.	S	Bend	trans	-158.8	158.5	-174.4	175.8	-179.1	-76	0	0	110.4	E604 I605 Y608 L617 V620	M600-E604 HydrophobicContact CG-CB 3.8Å; M600-E604 WeakPolarHBondContact CG-OE2 3.27Å; M600-E604 HydrophobicContact SD-CB 3.79Å; M600-I605 HydrophobicContact CB-CD1 4.02Å; M600-I605 HydrophobicContact CB-CG1 3.95Å; M600-I605 HydrophobicContact CG-CD1 4.41Å; M600-I605 HydrophobicContact CG-CG1 3.86Å; M600-I605 WeakPolarHBondContact O-CD1 3.42Å; M600-I605 HydrophobicContact SD-CG1 3.9Å; M600-Y608 HydrophobicContact CE-CE2 4.23Å; M600-Y608 HydrophobicContact SD-CD2 4.01Å; M600-Y608 HydrophobicContact SD-CE2 4.05Å; M600-L617 HydrophobicContact CE-CD2 4.36Å; M600-L617 HydrophobicContact SD-CD2 3.51Å; M600-L617 VanDerWaalsContact SD-CD2 3.51Å; M600-V620 HydrophobicContact CB-CG2 3.98Å; M600-V620 HydrophobicContact CE-CG1 4.2Å; M600-V620 HydrophobicContact CE-CG2 3.92Å; M600-V620 HydrophobicContact SD-CG2 4.48Å
601	D	93.9	Very high	96.8	Very high	87 Å²	87	45 Å²	45	47%	0.465	22%	0.217	S	C	.	.			trans	-67.3	149	177.1	-179	-107.2	0	0	0	113	Q603 E604 I605	D601-Q603 VanDerWaalsContact C-N 3.32Å; D601-Q603 PolarHBondContact O-N 3.41Å; D601-Q603 VanDerWaalsContact OD1-CB 3.28Å; D601-Q603 WeakPolarHBondContact OD1-CB 3.4Å; D601-Q603 WeakPolarHBondContact OD1-CG 3.25Å; D601-Q603 PolarHBondContact OD1-N 2.9Å; D601-E604 HydrophobicContact CB-CG 4.48Å; D601-E604 PolarHBondContact O-N 3.25Å; D601-I605 VanDerWaalsContact O-CG1 3.3Å; D601-I605 WeakPolarHBondContact O-CG1 3.39Å; D601-I605 PolarHBondContact O-N 3.42Å
602	I	94.2	Very high	96.7	Very high	10 Å²	10	52.7 Å²	52.7	5%	0.051	25%	0.25	C	S	.	.	H	α-helix	trans	-59.9	-36.8	-179.7	-176	60.3	0	0	0	113.4	L606 W659 V671 P672	I602-L606 HydrophobicContact CD1-CD1 3.95Å; I602-L606 HydrophobicContact CD1-CD2 4.49Å; I602-L606 HydrophobicContact CD1-CG 3.93Å; I602-L606 HydrophobicContact CG1-CD1 3.87Å; I602-L606 HydrophobicContact CG1-CG 4.29Å; I602-L606 WeakPolarHBondContact O-CB 3.41Å; I602-L606 VanDerWaalsContact O-CG 3.26Å; I602-L606 WeakPolarHBondContact O-CG 3.38Å; I602-L606 PolarHBondContact O-N 2.85Å; I602-W659 HydrophobicContact CD1-CB 3.65Å; I602-W659 HydrophobicContact CD1-CD2 4.07Å; I602-W659 HydrophobicContact CD1-CG 3.61Å; I602-W659 HydrophobicContact CG1-CB 4.21Å; I602-W659 HydrophobicContact CG1-CD2 3.6Å; I602-W659 HydrophobicContact CG1-CE3 3.98Å; I602-W659 HydrophobicContact CG1-CG 3.71Å; I602-W659 HydrophobicContact CG1-CZ2 4.47Å; I602-W659 HydrophobicContact CG2-CE3 4.37Å; I602-W659 HydrophobicContact CG2-CH2 4.35Å; I602-W659 HydrophobicContact CG2-CZ3 4.2Å; I602-V671 HydrophobicContact CB-CG1 4.27Å; I602-V671 HydrophobicContact CD1-CB 4.39Å; I602-V671 HydrophobicContact CD1-CG1 4.36Å; I602-P672 HydrophobicContact CD1-CG 4.23Å
603	Q	94.4	Very high	96.6	Very high	108 Å²	108	56.6 Å²	56.6	51%	0.505	27%	0.268	S	S	.	.	H	α-helix	trans	-69.9	-39	-179.9	-59.5	-58.9	-45.3	0	0	111	D601 N607	D601-Q603 VanDerWaalsContact C-N 3.32Å; D601-Q603 PolarHBondContact O-N 3.41Å; D601-Q603 VanDerWaalsContact OD1-CB 3.28Å; D601-Q603 WeakPolarHBondContact OD1-CB 3.4Å; D601-Q603 WeakPolarHBondContact OD1-CG 3.25Å; D601-Q603 PolarHBondContact OD1-N 2.9Å; Q603-N607 WeakPolarHBondContact O-CB 3.27Å; Q603-N607 VanDerWaalsContact O-CG 3.31Å; Q603-N607 PolarHBondContact O-N 2.86Å; Q603-N607 PolarHBondContact O-ND2 3.06Å
604	E	96.6	Very high	96.5	Very high	100 Å²	100	57.9 Å²	57.9	47%	0.467	27%	0.274	S	S	.	.	H	α-helix	trans	-66.5	-47.3	175.4	-61.2	-169.1	132.8	0	0	110.8	M600 D601 L606 N607 Y608	M600-E604 HydrophobicContact CG-CB 3.8Å; M600-E604 WeakPolarHBondContact CG-OE2 3.27Å; M600-E604 HydrophobicContact SD-CB 3.79Å; D601-E604 HydrophobicContact CB-CG 4.48Å; D601-E604 PolarHBondContact O-N 3.25Å; E604-L606 PolarHBondContact O-N 3.18Å; E604-N607 PolarHBondContact O-N 3.34Å; E604-Y608 HydrophobicContact CB-CE2 4.37Å; E604-Y608 WeakPolarHBondContact O-CD2 3.34Å; E604-Y608 PolarHBondContact O-N 3.18Å
605	I	97.5	Very high	96.5	Very high	0 Å²	0	64 Å²	64	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-55.8	-50.1	176.6	-68.3	166.5	0	0	0	111.2	L598 M600 D601 N607 Y608 I609 L617 V671 P672	L598-I605 HydrophobicContact CB-CD1 3.82Å; L598-I605 HydrophobicContact CD1-CD1 4.04Å; L598-I605 HydrophobicContact CD1-CG1 4.03Å; L598-I605 HydrophobicContact CD1-CG2 4.03Å; M600-I605 HydrophobicContact CB-CD1 4.02Å; M600-I605 HydrophobicContact CB-CG1 3.95Å; M600-I605 HydrophobicContact CG-CD1 4.41Å; M600-I605 HydrophobicContact CG-CG1 3.86Å; M600-I605 WeakPolarHBondContact O-CD1 3.42Å; M600-I605 HydrophobicContact SD-CG1 3.9Å; D601-I605 VanDerWaalsContact O-CG1 3.3Å; D601-I605 WeakPolarHBondContact O-CG1 3.39Å; D601-I605 PolarHBondContact O-N 3.42Å; I605-N607 PolarHBondContact O-N 3.16Å; I605-Y608 PolarHBondContact O-N 2.91Å; I605-I609 HydrophobicContact CG2-CD1 3.62Å; I605-I609 HydrophobicContact CG2-CG1 4.39Å; I605-I609 WeakPolarHBondContact O-CB 3.4Å; I605-I609 VanDerWaalsContact O-CG1 3.25Å; I605-I609 WeakPolarHBondContact O-CG1 3.16Å; I605-I609 PolarHBondContact O-N 3.44Å; I605-L617 HydrophobicContact CB-CD2 4.47Å; I605-L617 HydrophobicContact CG1-CD2 4.1Å; I605-V671 HydrophobicContact CD1-CB 3.63Å; I605-V671 HydrophobicContact CD1-CG1 4.03Å; I605-V671 HydrophobicContact CD1-CG2 3.74Å; I605-P672 HydrophobicContact CG2-CB 3.83Å; I605-P672 HydrophobicContact CG2-CG 3.83Å
606	L	96.6	Very high	96.5	Very high	35 Å²	35	65.8 Å²	65.8	18%	0.183	32%	0.315	C	S	.	.	H	α-helix	trans	-65.1	-37.4	179	-69.1	173.2	0	0	0	112.3	I602 E604 I609 N610 Y657 P672	I602-L606 HydrophobicContact CD1-CD1 3.95Å; I602-L606 HydrophobicContact CD1-CD2 4.49Å; I602-L606 HydrophobicContact CD1-CG 3.93Å; I602-L606 HydrophobicContact CG1-CD1 3.87Å; I602-L606 HydrophobicContact CG1-CG 4.29Å; I602-L606 WeakPolarHBondContact O-CB 3.41Å; I602-L606 VanDerWaalsContact O-CG 3.26Å; I602-L606 WeakPolarHBondContact O-CG 3.38Å; I602-L606 PolarHBondContact O-N 2.85Å; E604-L606 PolarHBondContact O-N 3.18Å; L606-I609 PolarHBondContact O-N 3.29Å; L606-N610 VanDerWaalsContact O-CB 3.3Å; L606-N610 WeakPolarHBondContact O-CB 3.21Å; L606-N610 PolarHBondContact O-N 3.23Å; L606-N610 PolarHBondContact O-ND2 3.02Å; L606-N610 VanDerWaalsContact O-ND2 3.12Å; L606-Y657 HydrophobicContact CD2-CD2 4.34Å; L606-P672 HydrophobicContact CD2-CG 4.27Å
607	N	97.4	Very high	96.5	Very high	80 Å²	80	65.8 Å²	65.8	43%	0.428	31%	0.314	S	S	.	.	H	α-helix	trans	-62.2	-44.8	175.3	-84.7	-55.8	0	0	0	112.4	Q603 E604 I605 R611	Q603-N607 WeakPolarHBondContact O-CB 3.27Å; Q603-N607 VanDerWaalsContact O-CG 3.31Å; Q603-N607 PolarHBondContact O-N 2.86Å; Q603-N607 PolarHBondContact O-ND2 3.06Å; E604-N607 PolarHBondContact O-N 3.34Å; I605-N607 PolarHBondContact O-N 3.16Å; N607-R611 WeakPolarHBondContact O-CG 3.26Å; N607-R611 PolarHBondContact O-N 3.2Å
608	Y	98.2	Very high	96.5	Very high	64 Å²	64	67.1 Å²	67.1	25%	0.251	32%	0.322	S	S	.	.	H	α-helix	trans	-68	-41.6	177.3	-73.9	-57.5	0	0	0	112.4	M600 E604 I605 N610 R611 K612 E613 P616 L617	M600-Y608 HydrophobicContact CE-CE2 4.23Å; M600-Y608 HydrophobicContact SD-CD2 4.01Å; M600-Y608 HydrophobicContact SD-CE2 4.05Å; E604-Y608 HydrophobicContact CB-CE2 4.37Å; E604-Y608 WeakPolarHBondContact O-CD2 3.34Å; E604-Y608 PolarHBondContact O-N 3.18Å; I605-Y608 PolarHBondContact O-N 2.91Å; Y608-N610 PolarHBondContact O-N 2.99Å; Y608-R611 PolarHBondContact O-N 3.24Å; Y608-K612 PolarHBondContact O-N 3Å; Y608-E613 HydrophobicContact CD1-CB 3.93Å; Y608-E613 PolarHBondContact O-N 2.92Å; Y608-P616 HydrophobicContact CD1-CB 4.26Å; Y608-P616 HydrophobicContact CD1-CG 3.96Å; Y608-P616 HydrophobicContact CD2-CB 4.39Å; Y608-P616 HydrophobicContact CE1-CB 3.98Å; Y608-P616 HydrophobicContact CE1-CG 3.74Å; Y608-P616 HydrophobicContact CE2-CB 4.12Å; Y608-P616 HydrophobicContact CG-CB 4.47Å; Y608-L617 HydrophobicContact CD2-CD2 3.7Å; Y608-L617 HydrophobicContact CD2-CG 4.49Å; Y608-L617 HydrophobicContact CG-CD2 4.13Å; Y608-L617 HydrophobicContact CG-CG 4.46Å
609	I	97.2	Very high	96.5	Very high	17 Å²	17	73.1 Å²	73.1	9%	0.087	35%	0.348	C	S	.	.	H	α-helix	trans	-59.3	-46.8	174.3	-70.2	168.9	0	0	0	111.2	I605 L606 R611 K612 L617 P645 Y657 P672	I605-I609 HydrophobicContact CG2-CD1 3.62Å; I605-I609 HydrophobicContact CG2-CG1 4.39Å; I605-I609 WeakPolarHBondContact O-CB 3.4Å; I605-I609 VanDerWaalsContact O-CG1 3.25Å; I605-I609 WeakPolarHBondContact O-CG1 3.16Å; I605-I609 PolarHBondContact O-N 3.44Å; L606-I609 PolarHBondContact O-N 3.29Å; I609-R611 PolarHBondContact O-N 3.31Å; I609-K612 PolarHBondContact O-N 3.12Å; I609-L617 HydrophobicContact CG1-CD1 3.9Å; I609-P645 HydrophobicContact CD1-CG 3.88Å; I609-P645 HydrophobicContact CG1-CG 4.26Å; I609-Y657 HydrophobicContact CD1-CE2 4.08Å; I609-Y657 HydrophobicContact CG2-CE2 3.92Å; I609-P672 HydrophobicContact CD1-CB 3.67Å; I609-P672 HydrophobicContact CD1-CG 3.95Å
610	N	95.9	Very high	96.7	Very high	129 Å²	129	69.2 Å²	69.2	69%	0.69	33%	0.328	S	S	*	.	H	α-helix	trans	-61.5	-28.5	179.9	-75.3	-26	0	0	0	113	L606 Y608	L606-N610 VanDerWaalsContact O-CB 3.3Å; L606-N610 WeakPolarHBondContact O-CB 3.21Å; L606-N610 PolarHBondContact O-N 3.23Å; L606-N610 PolarHBondContact O-ND2 3.02Å; L606-N610 VanDerWaalsContact O-ND2 3.12Å; Y608-N610 PolarHBondContact O-N 2.99Å
611	R	97	Very high	96.9	Very high	150 Å²	150	67.1 Å²	67.1	57%	0.566	32%	0.317	S	S	*	.	H	α-helix	trans	-87.6	-11.5	173.6	-63.2	172	-170.1	179.2	4.9	113.8	N607 Y608 I609 E613	N607-R611 WeakPolarHBondContact O-CG 3.26Å; N607-R611 PolarHBondContact O-N 3.2Å; Y608-R611 PolarHBondContact O-N 3.24Å; I609-R611 PolarHBondContact O-N 3.31Å; R611-E613 HydrophobicContact CB-CB 4.22Å; R611-E613 HydrophobicContact CB-CG 3.72Å; R611-E613 VanDerWaalsContact CD-CD 3.41Å; R611-E613 WeakPolarHBondContact CD-OE1 3.47Å; R611-E613 WeakPolarHBondContact CD-OE2 3.45Å; R611-E613 IonicContact NH1-OE2 2.74Å; R611-E613 PolarHBondContact NH1-OE2 3.22Å; R611-E613 PolarHBondContact O-N 2.98Å
612	K	95.6	Very high	97.1	Very high	160 Å²	160	63.2 Å²	63.2	70%	0.696	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	30.3	-169.5	-50.7	-176	-179.5	-173	0	112.9	Y608 I609 F614	Y608-K612 PolarHBondContact O-N 3Å; I609-K612 PolarHBondContact O-N 3.12Å; K612-F614 HydrophobicContact CB-CE1 4.47Å; K612-F614 HydrophobicContact CB-CZ 4.08Å; K612-F614 HydrophobicContact CG-CZ 4.47Å; K612-F614 PolarHBondContact O-N 3.48Å
613	E	97.1	Very high	97.4	Very high	82 Å²	82	62.8 Å²	62.8	38%	0.383	29%	0.294	S	S	.	.			trans	-89.9	79.5	177	-73.5	169.3	-175.1	0	0	108.9	Y608 R611 P616	Y608-E613 HydrophobicContact CD1-CB 3.93Å; Y608-E613 PolarHBondContact O-N 2.92Å; R611-E613 HydrophobicContact CB-CB 4.22Å; R611-E613 HydrophobicContact CB-CG 3.72Å; R611-E613 VanDerWaalsContact CD-CD 3.41Å; R611-E613 WeakPolarHBondContact CD-OE1 3.47Å; R611-E613 WeakPolarHBondContact CD-OE2 3.45Å; R611-E613 IonicContact NH1-OE2 2.74Å; R611-E613 PolarHBondContact NH1-OE2 3.22Å; R611-E613 PolarHBondContact O-N 2.98Å; E613-P616 WeakPolarHBondContact O-CD 3.45Å
614	F	97.9	Very high	97.5	Very high	28 Å²	28	59.1 Å²	59.1	12%	0.123	28%	0.278	C	S	.	.			trans	-81.8	-22.9	-174	-53.4	-42	0	0	0	114.5	K612 L617 L618 P644 W674	K612-F614 HydrophobicContact CB-CE1 4.47Å; K612-F614 HydrophobicContact CB-CZ 4.08Å; K612-F614 HydrophobicContact CG-CZ 4.47Å; K612-F614 PolarHBondContact O-N 3.48Å; F614-L617 WeakPolarHBondContact O-CB 3.41Å; F614-L617 PolarHBondContact O-N 3.03Å; F614-L618 HydrophobicContact CB-CD1 4.39Å; F614-L618 WeakPolarHBondContact O-CG 3.43Å; F614-L618 PolarHBondContact O-N 3.22Å; F614-P644 HydrophobicContact CE1-CB 3.84Å; F614-P644 HydrophobicContact CZ-CB 3.74Å; F614-P644 HydrophobicContact CZ-CG 4.43Å; F614-W674 HydrophobicContact CB-CH2 4.04Å; F614-W674 HydrophobicContact CB-CZ2 4.15Å; F614-W674 HydrophobicContact CD1-CH2 4.47Å; F614-W674 HydrophobicContact CD1-CZ2 4.25Å; F614-W674 HydrophobicContact CG-CH2 4.47Å; F614-W674 HydrophobicContact CG-CZ2 4.2Å
615	E	97.2	Very high	97.6	Very high	130 Å²	130	56.5 Å²	56.5	61%	0.607	27%	0.267	S	S	*	.	H	α-helix	trans	-57.5	-40.5	-176.6	-161.1	-159.1	135.5	0	0	114.6	L617 L618 K619	E615-L617 VanDerWaalsContact C-N 3.3Å; E615-L617 PolarHBondContact O-N 3.45Å; E615-L618 PolarHBondContact O-N 2.93Å; E615-K619 WeakPolarHBondContact O-CG 3.47Å; E615-K619 PolarHBondContact O-N 3.31Å; E615-K619 WeakPolarHBondContact OE1-CE 3.27Å; E615-K619 IonicContact OE1-NZ 2.8Å; E615-K619 PolarHBondContact OE1-NZ 2.98Å
616	P	97.9	Very high	97.6	Very high	41 Å²	41	57 Å²	57	27%	0.266	27%	0.269	S	S	.	.	H	α-helix	trans	-64.5	-33	173.9	-22.1	35.7	0	0	0	113.1	Y608 E613	Y608-P616 HydrophobicContact CD1-CB 4.26Å; Y608-P616 HydrophobicContact CD1-CG 3.96Å; Y608-P616 HydrophobicContact CD2-CB 4.39Å; Y608-P616 HydrophobicContact CE1-CB 3.98Å; Y608-P616 HydrophobicContact CE1-CG 3.74Å; Y608-P616 HydrophobicContact CE2-CB 4.12Å; Y608-P616 HydrophobicContact CG-CB 4.47Å; E613-P616 WeakPolarHBondContact O-CD 3.45Å
617	L	98.4	Very high	97.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-74.5	-38.9	179.5	-55.2	-176.1	0	0	0	111.5	L598 M600 I605 Y608 I609 F614 E615 K619 V620 D621 W674	L598-L617 HydrophobicContact CD1-CB 4.03Å; L598-L617 HydrophobicContact CD1-CD1 4.3Å; L598-L617 HydrophobicContact CD1-CD2 4.3Å; L598-L617 HydrophobicContact CD1-CG 4.45Å; L598-L617 WeakPolarHBondContact CD2-O 3.35Å; M600-L617 HydrophobicContact CE-CD2 4.36Å; M600-L617 HydrophobicContact SD-CD2 3.51Å; M600-L617 VanDerWaalsContact SD-CD2 3.51Å; I605-L617 HydrophobicContact CB-CD2 4.47Å; I605-L617 HydrophobicContact CG1-CD2 4.1Å; Y608-L617 HydrophobicContact CD2-CD2 3.7Å; Y608-L617 HydrophobicContact CD2-CG 4.49Å; Y608-L617 HydrophobicContact CG-CD2 4.13Å; Y608-L617 HydrophobicContact CG-CG 4.46Å; I609-L617 HydrophobicContact CG1-CD1 3.9Å; F614-L617 WeakPolarHBondContact O-CB 3.41Å; F614-L617 PolarHBondContact O-N 3.03Å; E615-L617 VanDerWaalsContact C-N 3.3Å; E615-L617 PolarHBondContact O-N 3.45Å; L617-K619 PolarHBondContact O-N 2.84Å; L617-V620 CarbonylContact O-C 3.57Å; L617-V620 WeakPolarHBondContact O-CG2 3.32Å; L617-V620 PolarHBondContact O-N 3.28Å; L617-D621 PolarHBondContact O-N 2.9Å; L617-D621 VanDerWaalsContact O-N 3.16Å; L617-W674 HydrophobicContact CB-CH2 3.72Å; L617-W674 HydrophobicContact CB-CZ3 3.65Å; L617-W674 HydrophobicContact CD1-CH2 4.13Å
618	L	98.1	Very high	97.6	Very high	30 Å²	30	61 Å²	61	16%	0.157	28%	0.282	C	S	.	.	H	α-helix	trans	-66.6	-20.5	178.9	-68.8	168.1	0	0	0	113.2	F614 E615 V620 N624 I641 W674	F614-L618 HydrophobicContact CB-CD1 4.39Å; F614-L618 WeakPolarHBondContact O-CG 3.43Å; F614-L618 PolarHBondContact O-N 3.22Å; E615-L618 PolarHBondContact O-N 2.93Å; L618-V620 VanDerWaalsContact C-N 3.32Å; L618-N624 PolarHBondContact O-ND2 3.49Å; L618-I641 HydrophobicContact CD1-CB 4.15Å; L618-I641 WeakPolarHBondContact CD1-O 3.24Å; L618-I641 HydrophobicContact CD2-CB 3.81Å; L618-I641 HydrophobicContact CD2-CD1 3.98Å; L618-I641 HydrophobicContact CD2-CG1 4.43Å; L618-I641 HydrophobicContact CD2-CG2 3.93Å; L618-W674 HydrophobicContact CD2-CD2 4.19Å; L618-W674 HydrophobicContact CD2-CE3 3.74Å; L618-W674 HydrophobicContact CD2-CH2 3.9Å; L618-W674 HydrophobicContact CD2-CZ2 4.32Å; L618-W674 HydrophobicContact CD2-CZ3 3.58Å; L618-W674 HydrophobicContact CG-CH2 3.97Å; L618-W674 HydrophobicContact CG-CZ3 3.93Å
619	K	97.8	Very high	97.5	Very high	127 Å²	127	63.2 Å²	63.2	55%	0.552	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-12.7	172.7	-68.4	168	-173.3	171.2	0	113.8	E615 L617	E615-K619 WeakPolarHBondContact O-CG 3.47Å; E615-K619 PolarHBondContact O-N 3.31Å; E615-K619 WeakPolarHBondContact OE1-CE 3.27Å; E615-K619 IonicContact OE1-NZ 2.8Å; E615-K619 PolarHBondContact OE1-NZ 2.98Å; L617-K619 PolarHBondContact O-N 2.84Å
620	V	97.8	Very high	97.4	Very high	31 Å²	31	67.1 Å²	67.1	19%	0.188	32%	0.315	C	S	.	.	S	Bend	trans	-115.9	11.2	173.2	-61.3	0	0	0	0	112.5	L598 D599 M600 L617 L618 Q622	L598-V620 HydrophobicContact CB-CG2 4.45Å; L598-V620 HydrophobicContact CD2-CG2 4.46Å; D599-V620 PolarHBondContact N-O 3.17Å; M600-V620 HydrophobicContact CB-CG2 3.98Å; M600-V620 HydrophobicContact CE-CG1 4.2Å; M600-V620 HydrophobicContact CE-CG2 3.92Å; M600-V620 HydrophobicContact SD-CG2 4.48Å; L617-V620 CarbonylContact O-C 3.57Å; L617-V620 WeakPolarHBondContact O-CG2 3.32Å; L617-V620 PolarHBondContact O-N 3.28Å; L618-V620 VanDerWaalsContact C-N 3.32Å; V620-Q622 PolarHBondContact O-N 3.06Å
621	D	98.6	Very high	97.4	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-71	118.4	171.5	176.8	68.2	0	0	0	109.8	L598 L617 L623 N624 L625 R677	L598-D621 HydrophobicContact CD2-CB 4.1Å; L617-D621 PolarHBondContact O-N 2.9Å; L617-D621 VanDerWaalsContact O-N 3.16Å; D621-L623 PolarHBondContact O-N 3.4Å; D621-L623 WeakPolarHBondContact OD2-CB 3.34Å; D621-L623 PolarHBondContact OD2-N 2.98Å; D621-N624 HydrophobicContact CB-CB 4.25Å; D621-N624 PolarHBondContact O-N 3.44Å; D621-N624 VanDerWaalsContact OD2-CG 3.27Å; D621-N624 PolarHBondContact OD2-N 3.49Å; D621-N624 VanDerWaalsContact OD2-N 3.07Å; D621-N624 PolarHBondContact OD2-OD1 3.38Å; D621-L625 PolarHBondContact O-N 2.82Å; D621-R677 VanDerWaalsContact CG-NH1 3.25Å; D621-R677 IonicContact OD1-CZ 2.72Å; D621-R677 IonicContact OD1-NH1 3.26Å; D621-R677 PolarHBondContact OD1-NH1 3.38Å; D621-R677 IonicContact OD2-CZ 2.86Å; D621-R677 IonicContact OD2-NH1 3.66Å; D621-R677 PolarHBondContact OD2-NH1 3.42Å; D621-R677 IonicContact OD2-NH2 2.69Å; D621-R677 PolarHBondContact OD2-NH2 3.2Å
622	Q	98.6	Very high	97.4	Very high	6 Å²	6	58.7 Å²	58.7	3%	0.028	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-28.5	-175.1	-71.2	168.6	-5	0	0	113.3	N552 I555 Y596 R597 V620 E626	N552-Q622 PolarHBondContact O-NE2 3.24Å; I555-Q622 HydrophobicContact CD1-CG 3.87Å; I555-Q622 HydrophobicContact CG1-CG 4.29Å; Y596-Q622 HydrophobicContact CD1-CB 3.85Å; Y596-Q622 HydrophobicContact CG-CB 4.49Å; R597-Q622 WeakPolarHBondContact O-CB 3.32Å; R597-Q622 WeakPolarHBondContact O-CG 3.13Å; R597-Q622 PolarHBondContact O-N 3.44Å; V620-Q622 PolarHBondContact O-N 3.06Å; Q622-E626 WeakPolarHBondContact O-CB 3.39Å; Q622-E626 VanDerWaalsContact O-CG 3.25Å; Q622-E626 WeakPolarHBondContact O-CG 3.32Å; Q622-E626 PolarHBondContact O-N 2.83Å
623	L	98.7	Very high	97.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-70.8	-45.3	176.9	178.4	56.5	0	0	0	111.1	L594 Y596 D621 E626 R627 V632 F633 R677 L679	L594-L623 HydrophobicContact CD1-CD2 3.72Å; Y596-L623 HydrophobicContact CD1-CB 4.23Å; Y596-L623 HydrophobicContact CD2-CB 3.87Å; Y596-L623 HydrophobicContact CD2-CD1 4.05Å; Y596-L623 HydrophobicContact CD2-CD2 4.37Å; Y596-L623 HydrophobicContact CD2-CG 4.32Å; Y596-L623 HydrophobicContact CE2-CB 4.48Å; Y596-L623 HydrophobicContact CE2-CD1 3.82Å; Y596-L623 HydrophobicContact CG-CB 3.74Å; D621-L623 PolarHBondContact O-N 3.4Å; D621-L623 WeakPolarHBondContact OD2-CB 3.34Å; D621-L623 PolarHBondContact OD2-N 2.98Å; L623-E626 PolarHBondContact O-N 2.98Å; L623-R627 HydrophobicContact CD1-CG 4.05Å; L623-R627 WeakPolarHBondContact O-CB 3.3Å; L623-R627 WeakPolarHBondContact O-CD 3.29Å; L623-R627 VanDerWaalsContact O-CG 3.23Å; L623-R627 WeakPolarHBondContact O-CG 3.34Å; L623-R627 PolarHBondContact O-N 2.82Å; L623-V632 HydrophobicContact CD1-CG2 4.1Å; L623-F633 HydrophobicContact CD1-CD2 3.6Å; L623-F633 HydrophobicContact CD1-CE2 3.87Å; L623-R677 HydrophobicContact CD2-CG 4.07Å; L623-L679 HydrophobicContact CD2-CD1 4.19Å; L623-L679 HydrophobicContact CD2-CD2 4.49Å
624	N	98.4	Very high	97.4	Very high	32 Å²	32	47.6 Å²	47.6	17%	0.171	23%	0.227	C	C	.	.	H	α-helix	trans	-57.6	-50.3	173.4	-66.1	-14.4	0	0	0	110.8	L618 D621 E626 R627 E628 R677	L618-N624 PolarHBondContact O-ND2 3.49Å; D621-N624 HydrophobicContact CB-CB 4.25Å; D621-N624 PolarHBondContact O-N 3.44Å; D621-N624 VanDerWaalsContact OD2-CG 3.27Å; D621-N624 PolarHBondContact OD2-N 3.49Å; D621-N624 VanDerWaalsContact OD2-N 3.07Å; D621-N624 PolarHBondContact OD2-OD1 3.38Å; N624-E626 PolarHBondContact O-N 2.88Å; N624-R627 WeakPolarHBondContact O-CB 3.39Å; N624-R627 PolarHBondContact O-N 2.82Å; N624-E628 WeakPolarHBondContact O-CG 3.46Å; N624-E628 PolarHBondContact O-N 2.98Å; N624-R677 PolarHBondContact OD1-NH2 3.31Å
625	L	98.3	Very high	97.3	Very high	45 Å²	45	50.6 Å²	50.6	24%	0.236	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-35.2	-178.9	-71.8	173.2	0	0	0	114	D621 K629	D621-L625 PolarHBondContact O-N 2.82Å; L625-K629 WeakPolarHBondContact O-CD 3.32Å; L625-K629 WeakPolarHBondContact O-CE 3.26Å; L625-K629 WeakPolarHBondContact O-CG 3.39Å; L625-K629 PolarHBondContact O-N 3.43Å; L625-K629 PolarHBondContact O-NZ 2.94Å
626	E	98.1	Very high	97.4	Very high	10 Å²	10	44.9 Å²	44.9	5%	0.047	21%	0.21	C	C	.	.	H	α-helix	trans	-85	-21.7	178.5	-62.1	-76.3	96.5	0	0	112.5	I555 N559 Q622 L623 N624 K629 K631 V632	I555-E626 HydrophobicContact CG2-CG 3.67Å; N559-E626 PolarHBondContact ND2-OE2 3.35Å; Q622-E626 WeakPolarHBondContact O-CB 3.39Å; Q622-E626 VanDerWaalsContact O-CG 3.25Å; Q622-E626 WeakPolarHBondContact O-CG 3.32Å; Q622-E626 PolarHBondContact O-N 2.83Å; L623-E626 PolarHBondContact O-N 2.98Å; N624-E626 PolarHBondContact O-N 2.88Å; E626-K629 WeakPolarHBondContact OE1-CD 3.2Å; E626-K629 IonicContact OE1-NZ 2.62Å; E626-K629 PolarHBondContact OE1-NZ 2.95Å; E626-K631 HydrophobicContact CB-CD 4.49Å; E626-K631 VanDerWaalsContact CD-CD 3.49Å; E626-K631 PolarHBondContact O-N 3.48Å; E626-K631 IonicContact OE1-NZ 2.7Å; E626-K631 PolarHBondContact OE1-NZ 2.79Å; E626-K631 WeakPolarHBondContact OE2-CD 3.09Å; E626-K631 WeakPolarHBondContact OE2-CE 3.22Å; E626-K631 IonicContact OE2-NZ 3.03Å; E626-K631 PolarHBondContact OE2-NZ 2.89Å; E626-V632 HydrophobicContact CB-CG2 3.82Å
627	R	97.8	Very high	97.4	Very high	49 Å²	49	44.8 Å²	44.8	19%	0.185	21%	0.213	C	C	.	.	H	α-helix	trans	-69.5	-46	166.5	-77.4	168	69.9	-158.1	7.8	111.9	L623 N624 K629 N630 V632 F633 F636 E638	L623-R627 HydrophobicContact CD1-CG 4.05Å; L623-R627 WeakPolarHBondContact O-CB 3.3Å; L623-R627 WeakPolarHBondContact O-CD 3.29Å; L623-R627 VanDerWaalsContact O-CG 3.23Å; L623-R627 WeakPolarHBondContact O-CG 3.34Å; L623-R627 PolarHBondContact O-N 2.82Å; N624-R627 WeakPolarHBondContact O-CB 3.39Å; N624-R627 PolarHBondContact O-N 2.82Å; R627-K629 PolarHBondContact O-N 2.97Å; R627-N630 WeakPolarHBondContact O-CA 3.27Å; R627-N630 PolarHBondContact O-N 2.95Å; R627-V632 HydrophobicContact CG-CG2 4.19Å; R627-F633 HydrophobicContact CG-CB 4.06Å; R627-F636 PolarHBondContact NH2-O 2.94Å; R627-E638 IonicContact NH1-OE2 3.39Å; R627-E638 PolarHBondContact NH1-OE2 3.3Å
628	E	96.1	Very high	97.4	Very high	149 Å²	149	46.3 Å²	46.3	70%	0.696	22%	0.22	S	C	*	.	H	α-helix	trans	-59.2	-34.2	175.7	-74.5	176.2	177.1	0	0	112.4	N624 N630	N624-E628 WeakPolarHBondContact O-CG 3.46Å; N624-E628 PolarHBondContact O-N 2.98Å; E628-N630 PolarHBondContact O-N 3.3Å
629	K	95.6	Very high	97.4	Very high	112 Å²	112	47 Å²	47	49%	0.487	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	4.6	173.3	-63	160.7	-161.7	149.3	0	113.8	L625 E626 R627 K631	L625-K629 WeakPolarHBondContact O-CD 3.32Å; L625-K629 WeakPolarHBondContact O-CE 3.26Å; L625-K629 WeakPolarHBondContact O-CG 3.39Å; L625-K629 PolarHBondContact O-N 3.43Å; L625-K629 PolarHBondContact O-NZ 2.94Å; E626-K629 WeakPolarHBondContact OE1-CD 3.2Å; E626-K629 IonicContact OE1-NZ 2.62Å; E626-K629 PolarHBondContact OE1-NZ 2.95Å; R627-K629 PolarHBondContact O-N 2.97Å; K629-K631 HydrophobicContact CB-CD 4.17Å; K629-K631 HydrophobicContact CB-CG 4.1Å; K629-K631 HydrophobicContact CD-CD 4.44Å; K629-K631 PolarHBondContact O-N 3.41Å
630	N	94.8	Very high	97.4	Very high	99 Å²	99	48.2 Å²	48.2	53%	0.529	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	27.2	-176.9	-66.7	-59.6	0	0	0	115.2	R627 E628 L634	R627-N630 WeakPolarHBondContact O-CA 3.27Å; R627-N630 PolarHBondContact O-N 2.95Å; E628-N630 PolarHBondContact O-N 3.3Å; N630-L634 HydrophobicContact CB-CD1 4.17Å
631	K	94.7	Very high	97.4	Very high	100 Å²	100	47.2 Å²	47.2	44%	0.435	22%	0.224	S	C	.	.	S	Bend	trans	-86	-28.7	-179.3	-67.5	171.6	170.6	180	0	113.7	E626 K629	E626-K631 HydrophobicContact CB-CD 4.49Å; E626-K631 VanDerWaalsContact CD-CD 3.49Å; E626-K631 PolarHBondContact O-N 3.48Å; E626-K631 IonicContact OE1-NZ 2.7Å; E626-K631 PolarHBondContact OE1-NZ 2.79Å; E626-K631 WeakPolarHBondContact OE2-CD 3.09Å; E626-K631 WeakPolarHBondContact OE2-CE 3.22Å; E626-K631 IonicContact OE2-NZ 3.03Å; E626-K631 PolarHBondContact OE2-NZ 2.89Å; K629-K631 HydrophobicContact CB-CD 4.17Å; K629-K631 HydrophobicContact CB-CG 4.1Å; K629-K631 HydrophobicContact CD-CD 4.44Å; K629-K631 PolarHBondContact O-N 3.41Å
632	V	97.8	Very high	97.4	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	24%	0.241	C	C	.	.	S	Bend	trans	-142.7	154.4	-174.8	-64.6	0	0	0	0	110.6	N559 Y562 L623 E626 R627 L634	N559-V632 HydrophobicContact CB-CG1 3.6Å; N559-V632 VanDerWaalsContact CG-CG1 3.48Å; N559-V632 WeakPolarHBondContact OD1-CG1 3.22Å; Y562-V632 HydrophobicContact CD1-CB 3.99Å; Y562-V632 HydrophobicContact CD1-CG1 3.96Å; Y562-V632 HydrophobicContact CE1-CB 4.34Å; Y562-V632 HydrophobicContact CG-CB 4.39Å; Y562-V632 HydrophobicContact CG-CG1 4.43Å; L623-V632 HydrophobicContact CD1-CG2 4.1Å; E626-V632 HydrophobicContact CB-CG2 3.82Å; R627-V632 HydrophobicContact CG-CG2 4.19Å; V632-L634 PolarHBondContact O-N 3.09Å; V632-L634 VanDerWaalsContact O-N 3.17Å
633	F	97.9	Very high	97.4	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.013	24%	0.239	C	C	.	.	S	Bend	trans	49.4	42.4	176.4	-64.2	-82.1	0	0	0	113.5	Y562 W590 L594 L623 R627 R635 F636 L679	Y562-F633 AromaticContact CD2-CD1 3.99Å; Y562-F633 HydrophobicContact CD2-CD1 3.99Å; Y562-F633 HydrophobicContact CD2-CD2 4.08Å; Y562-F633 AromaticContact CD2-CE1 3.74Å; Y562-F633 HydrophobicContact CD2-CE1 3.74Å; Y562-F633 AromaticContact CD2-CE2 3.83Å; Y562-F633 HydrophobicContact CD2-CE2 3.83Å; Y562-F633 HydrophobicContact CD2-CG 4.16Å; Y562-F633 AromaticContact CD2-CZ 3.66Å; Y562-F633 HydrophobicContact CD2-CZ 3.66Å; Y562-F633 AromaticContact CE2-CD1 3.65Å; Y562-F633 HydrophobicContact CE2-CD1 3.65Å; Y562-F633 HydrophobicContact CE2-CD2 4.27Å; Y562-F633 AromaticContact CE2-CE1 3.81Å; Y562-F633 HydrophobicContact CE2-CE1 3.81Å; Y562-F633 HydrophobicContact CE2-CE2 4.41Å; Y562-F633 AromaticContact CE2-CG 3.9Å; Y562-F633 HydrophobicContact CE2-CG 3.9Å; Y562-F633 HydrophobicContact CE2-CZ 4.19Å; Y562-F633 HydrophobicContact CG-CE2 4.31Å; Y562-F633 HydrophobicContact CG-CZ 4.49Å; Y562-F633 WeakPolarHBondContact OH-CA 3.3Å; Y562-F633 PolarHBondContact OH-N 3.37Å; W590-F633 HydrophobicContact CB-CE1 4.15Å; W590-F633 AromaticContact CD1-CE1 3.85Å; W590-F633 AromaticContact CD2-CE1 3.71Å; W590-F633 HydrophobicContact CD2-CE1 3.71Å; W590-F633 HydrophobicContact CD2-CZ 4.43Å; W590-F633 AromaticContact CE2-CE1 3.92Å; W590-F633 HydrophobicContact CE3-CE1 4.24Å; W590-F633 AromaticContact CG-CE1 3.66Å; W590-F633 HydrophobicContact CG-CE1 3.66Å; W590-F633 HydrophobicContact CG-CZ 4.42Å; L594-F633 HydrophobicContact CD1-CE2 4.12Å; L594-F633 HydrophobicContact CD1-CZ 3.86Å; L594-F633 HydrophobicContact CD2-CZ 4.4Å; L623-F633 HydrophobicContact CD1-CD2 3.6Å; L623-F633 HydrophobicContact CD1-CE2 3.87Å; R627-F633 HydrophobicContact CG-CB 4.06Å; F633-R635 PolarHBondContact O-N 3.38Å; F633-R635 VanDerWaalsContact O-N 3.16Å; F633-F636 HydrophobicContact CB-CB 4.09Å; F633-F636 HydrophobicContact CB-CD2 4.19Å; F633-F636 HydrophobicContact CB-CG 4.23Å; F633-F636 HydrophobicContact CD1-CD1 4.26Å; F633-F636 HydrophobicContact CD1-CD2 4.43Å; F633-F636 HydrophobicContact CD1-CE1 4.49Å; F633-F636 HydrophobicContact CD1-CG 4.23Å; F633-F636 WeakPolarHBondContact O-CB 3.42Å; F633-F636 WeakPolarHBondContact O-CD2 3.4Å; F633-F636 PolarHBondContact O-N 3.04Å; F633-L679 HydrophobicContact CB-CD2 4.22Å; F633-L679 HydrophobicContact CD1-CD2 4.2Å; F633-L679 HydrophobicContact CG-CD2 4.14Å
634	L	95.9	Very high	97.4	Very high	7 Å²	7	50 Å²	50	4%	0.037	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	117.4	-177	179.5	62.6	0	0	0	111.5	N630 V632 F636 E848	N630-L634 HydrophobicContact CB-CD1 4.17Å; V632-L634 PolarHBondContact O-N 3.09Å; V632-L634 VanDerWaalsContact O-N 3.17Å; L634-F636 VanDerWaalsContact C-N 3.25Å; L634-F636 PolarHBondContact O-N 3.24Å; L634-E848 HydrophobicContact CD2-CB 4.11Å
635	R	95.4	Very high	97.4	Very high	91 Å²	91	48.5 Å²	48.5	34%	0.343	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	25.4	-177.7	-49.6	172.1	-146.5	143.8	8.7	114.4	F633 Y841 L842 E848	F633-R635 PolarHBondContact O-N 3.38Å; F633-R635 VanDerWaalsContact O-N 3.16Å; R635-Y841 PolarHBondContact NH1-O 3Å; R635-L842 PolarHBondContact NH2-O 3.42Å; R635-L842 VanDerWaalsContact NH2-O 3.12Å; R635-E848 IonicContact CZ-OE2 2.66Å; R635-E848 IonicContact NE-OE2 3.22Å; R635-E848 PolarHBondContact NE-OE2 3.01Å; R635-E848 IonicContact NH2-OE2 2.99Å; R635-E848 PolarHBondContact NH2-OE2 3.1Å
636	F	98.4	Very high	97.4	Very high	10 Å²	10	46.4 Å²	46.4	4%	0.044	23%	0.225	C	C	.	.			trans	-86.4	136.5	164.8	-74.5	-115.5	0	0	0	110.8	L588 W590 R627 F633 L634 L679 W680 K681	L588-F636 HydrophobicContact CD2-CE1 3.97Å; L588-F636 HydrophobicContact CD2-CZ 3.71Å; L588-F636 HydrophobicContact CG-CE1 4.28Å; W590-F636 HydrophobicContact CB-CE1 4.13Å; W590-F636 HydrophobicContact CE3-CE1 4.33Å; W590-F636 HydrophobicContact CE3-CZ 4.16Å; R627-F636 PolarHBondContact NH2-O 2.94Å; F633-F636 HydrophobicContact CB-CB 4.09Å; F633-F636 HydrophobicContact CB-CD2 4.19Å; F633-F636 HydrophobicContact CB-CG 4.23Å; F633-F636 HydrophobicContact CD1-CD1 4.26Å; F633-F636 HydrophobicContact CD1-CD2 4.43Å; F633-F636 HydrophobicContact CD1-CE1 4.49Å; F633-F636 HydrophobicContact CD1-CG 4.23Å; F633-F636 WeakPolarHBondContact O-CB 3.42Å; F633-F636 WeakPolarHBondContact O-CD2 3.4Å; F633-F636 PolarHBondContact O-N 3.04Å; L634-F636 VanDerWaalsContact C-N 3.25Å; L634-F636 PolarHBondContact O-N 3.24Å; F636-L679 HydrophobicContact CB-CB 4.4Å; F636-L679 HydrophobicContact CB-CD2 4.43Å; F636-L679 HydrophobicContact CD1-CB 4.27Å; F636-W680 CarbonylContact C-O 3.58Å; F636-W680 WeakPolarHBondContact CA-O 3.28Å; F636-K681 HydrophobicContact CD1-CB 3.81Å; F636-K681 HydrophobicContact CD2-CB 4.13Å; F636-K681 HydrophobicContact CD2-CD 4.06Å; F636-K681 HydrophobicContact CE1-CB 3.87Å; F636-K681 HydrophobicContact CE2-CB 4.21Å; F636-K681 HydrophobicContact CE2-CD 3.84Å; F636-K681 HydrophobicContact CG-CB 3.95Å; F636-K681 HydrophobicContact CZ-CB 4.08Å; F636-K681 HydrophobicContact CZ-CD 4.28Å
637	A	98.4	Very high	97.4	Very high	39 Å²	39	46.8 Å²	46.8	32%	0.322	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	154.6	168.1	0	0	0	0	0	111.4	L679 W680	A637-L679 VanDerWaalsContact O-CA 3.31Å; A637-L679 WeakPolarHBondContact O-CA 3.37Å; A637-L679 WeakPolarHBondContact O-CB 3.41Å; A637-W680 HydrophobicContact CB-CD2 4Å; A637-W680 HydrophobicContact CB-CG 4.47Å; A637-W680 HydrophobicContact CB-CH2 4.23Å; A637-W680 HydrophobicContact CB-CZ2 3.67Å; A637-W680 PolarHBondContact N-O 3.06Å; A637-W680 PolarHBondContact O-N 2.74Å
638	E	98.7	Very high	97.3	Very high	31 Å²	31	46.3 Å²	46.3	15%	0.145	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.7	168.5	-175.7	167.9	-144.9	0	0	106.6	R627 R677 L679 Y693	R627-E638 IonicContact NH1-OE2 3.39Å; R627-E638 PolarHBondContact NH1-OE2 3.3Å; E638-R677 WeakPolarHBondContact OE1-CD 3.3Å; E638-R677 IonicContact OE1-CZ 3.69Å; E638-R677 IonicContact OE1-NE 3.89Å; E638-R677 PolarHBondContact OE1-NE 3.28Å; E638-R677 IonicContact OE1-NH2 2.8Å; E638-R677 IonicContact OE2-CZ 2.77Å; E638-R677 IonicContact OE2-NE 2.7Å; E638-R677 IonicContact OE2-NH2 3.81Å; E638-R677 PolarHBondContact OE2-NH2 3.22Å; E638-L679 HydrophobicContact CB-CD2 4.15Å; E638-L679 HydrophobicContact CB-CG 4.06Å; E638-L679 HydrophobicContact CG-CG 4.24Å; E638-Y693 HydrophobicContact CG-CE1 4.07Å; E638-Y693 PolarHBondContact OE1-OH 3.15Å
639	E	98.2	Very high	97.3	Very high	46 Å²	46	39.6 Å²	39.6	22%	0.215	19%	0.192	C	C	.	.			trans	-85.6	154.9	-179.6	178	63.8	-80.1	0	0	111.3	K439 I641 W680 C690 Y693	K439-E639 HydrophobicContact CD-CG 4.07Å; K439-E639 IonicContact NZ-OE2 3.17Å; K439-E639 PolarHBondContact NZ-OE2 2.92Å; E639-I641 PolarHBondContact O-N 3.21Å; E639-I641 VanDerWaalsContact O-N 3.15Å; E639-W680 HydrophobicContact CB-CH2 3.95Å; E639-W680 HydrophobicContact CB-CZ3 4.09Å; E639-C690 HydrophobicContact CB-CB 4.36Å; E639-C690 HydrophobicContact CG-CB 4.34Å; E639-C690 WeakPolarHBondContact OE2-CB 3.1Å; E639-Y693 HydrophobicContact CB-CD1 3.6Å; E639-Y693 HydrophobicContact CB-CE1 4.4Å; E639-Y693 HydrophobicContact CB-CG 3.99Å; E639-Y693 HydrophobicContact CG-CD1 4.06Å; E639-Y693 HydrophobicContact CG-CG 4.28Å; E639-Y693 WeakPolarHBondContact O-CD1 3.42Å; E639-Y693 WeakPolarHBondContact O-CE1 3.42Å
640	E	97.3	Very high	97.3	Very high	151 Å²	151	38.6 Å²	38.6	71%	0.706	19%	0.189	S	C	*	.			trans	-58.4	116.3	-178.5	-168.3	-172.9	161.9	0	0	112.3	S642	E640-S642 PolarHBondContact O-N 2.85Å; E640-S642 VanDerWaalsContact O-N 3.12Å; E640-S642 PolarHBondContact O-OG 3.01Å
641	I	98.4	Very high	97.3	Very high	10 Å²	10	39.3 Å²	39.3	5%	0.051	19%	0.185	C	C	.	.			trans	-73.2	106.2	179.8	-65	175.6	0	0	0	109.6	L618 E639 F643 W674 Y693	L618-I641 HydrophobicContact CD1-CB 4.15Å; L618-I641 WeakPolarHBondContact CD1-O 3.24Å; L618-I641 HydrophobicContact CD2-CB 3.81Å; L618-I641 HydrophobicContact CD2-CD1 3.98Å; L618-I641 HydrophobicContact CD2-CG1 4.43Å; L618-I641 HydrophobicContact CD2-CG2 3.93Å; E639-I641 PolarHBondContact O-N 3.21Å; E639-I641 VanDerWaalsContact O-N 3.15Å; I641-F643 HydrophobicContact CB-CE1 4.27Å; I641-F643 HydrophobicContact CG1-CE1 4.14Å; I641-F643 HydrophobicContact CG1-CZ 4.24Å; I641-F643 HydrophobicContact CG2-CD1 4.06Å; I641-F643 HydrophobicContact CG2-CD2 4.49Å; I641-F643 HydrophobicContact CG2-CE1 3.9Å; I641-F643 HydrophobicContact CG2-CE2 4.35Å; I641-F643 HydrophobicContact CG2-CG 4.35Å; I641-F643 HydrophobicContact CG2-CZ 4.06Å; I641-W674 HydrophobicContact CD1-CG 4.45Å; I641-W674 HydrophobicContact CG2-CD2 4.13Å; I641-W674 HydrophobicContact CG2-CG 4.26Å; I641-W674 HydrophobicContact CG2-CZ2 4.02Å; I641-W674 VanDerWaalsContact CG2-NE1 3.32Å; I641-Y693 HydrophobicContact CD1-CE1 4.5Å; I641-Y693 HydrophobicContact CG1-CD1 4.44Å; I641-Y693 HydrophobicContact CG1-CE1 3.74Å
642	S	97.6	Very high	97.2	Very high	51 Å²	51	37.2 Å²	37.2	36%	0.357	19%	0.192	S	C	.	.			trans	-114.7	13.3	-179.4	44.2	0	0	0	0	112.9	G438 K439 E640	G438-S642 WeakPolarHBondContact CA-O 3.39Å; G438-S642 WeakPolarHBondContact CA-OG 3.5Å; K439-S642 PolarHBondContact N-OG 2.97Å; E640-S642 PolarHBondContact O-N 2.85Å; E640-S642 VanDerWaalsContact O-N 3.12Å; E640-S642 PolarHBondContact O-OG 3.01Å
643	F	98.4	Very high	97	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-116.6	151	179.6	54.2	-83	0	0	0	110.5	L437 I641 T646 W674 Y693 C695 V707	L437-F643 HydrophobicContact CB-CB 4.11Å; I641-F643 HydrophobicContact CB-CE1 4.27Å; I641-F643 HydrophobicContact CG1-CE1 4.14Å; I641-F643 HydrophobicContact CG1-CZ 4.24Å; I641-F643 HydrophobicContact CG2-CD1 4.06Å; I641-F643 HydrophobicContact CG2-CD2 4.49Å; I641-F643 HydrophobicContact CG2-CE1 3.9Å; I641-F643 HydrophobicContact CG2-CE2 4.35Å; I641-F643 HydrophobicContact CG2-CG 4.35Å; I641-F643 HydrophobicContact CG2-CZ 4.06Å; F643-T646 HydrophobicContact CD2-CG2 4.04Å; F643-T646 HydrophobicContact CE2-CG2 3.74Å; F643-W674 AromaticContact CD2-CD1 4Å; F643-W674 AromaticContact CD2-NE1 3.89Å; F643-W674 AromaticContact CE2-CD1 3.66Å; F643-W674 WeakPolarHBondContact O-CZ2 3.25Å; F643-W674 PolarHBondContact O-NE1 3.08Å; F643-Y693 AromaticContact CE1-CD1 3.81Å; F643-Y693 HydrophobicContact CE1-CD1 3.81Å; F643-Y693 HydrophobicContact CE1-CD2 4.36Å; F643-Y693 AromaticContact CE1-CE1 3.87Å; F643-Y693 HydrophobicContact CE1-CE1 3.87Å; F643-Y693 HydrophobicContact CE1-CE2 4.36Å; F643-Y693 HydrophobicContact CE1-CG 4.1Å; F643-Y693 HydrophobicContact CZ-CD1 4.41Å; F643-Y693 HydrophobicContact CZ-CE1 4.05Å; F643-Y693 HydrophobicContact CZ-CE2 4.17Å; F643-Y693 AromaticContact CZ-CZ 3.91Å; F643-C695 HydrophobicContact CD2-CB 3.95Å; F643-C695 HydrophobicContact CE2-CB 4.44Å; F643-V707 HydrophobicContact CE2-CG2 4.26Å
644	P	98.4	Very high	96.9	Very high	15 Å²	15	39.7 Å²	39.7	10%	0.097	20%	0.204	C	C	.	.			trans	-67.3	165.1	179.8	31.4	-37.4	0	0	0	111.8	L437 F614 T646 W674	L437-P644 HydrophobicContact CD1-CG 3.54Å; F614-P644 HydrophobicContact CE1-CB 3.84Å; F614-P644 HydrophobicContact CZ-CB 3.74Å; F614-P644 HydrophobicContact CZ-CG 4.43Å; P644-T646 PolarHBondContact O-N 3.07Å; P644-W674 VanDerWaalsContact C-NE1 3.27Å; P644-W674 PolarHBondContact O-NE1 2.83Å
645	P	98.6	Very high	96.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.24	C	C	.	.			trans	-52.3	133.1	177.8	-29.7	38.1	0	0	0	113.2	I609 Y647 Y649 Y657 P672 W674	I609-P645 HydrophobicContact CD1-CG 3.88Å; I609-P645 HydrophobicContact CG1-CG 4.26Å; P645-Y647 VanDerWaalsContact C-N 3.35Å; P645-Y649 WeakPolarHBondContact O-CE2 3.46Å; P645-Y649 PolarHBondContact O-OH 2.87Å; P645-Y657 HydrophobicContact CB-CE1 4.36Å; P645-Y657 WeakPolarHBondContact O-CE1 3.39Å; P645-Y657 PolarHBondContact O-OH 2.87Å; P645-P672 HydrophobicContact CB-CB 3.88Å; P645-P672 HydrophobicContact CG-CB 4.15Å; P645-W674 HydrophobicContact CB-CD2 4.44Å; P645-W674 HydrophobicContact CG-CD2 4.16Å; P645-W674 HydrophobicContact CG-CE3 4.38Å; P645-W674 HydrophobicContact CG-CH2 4.05Å; P645-W674 HydrophobicContact CG-CZ2 3.8Å; P645-W674 HydrophobicContact CG-CZ3 4.33Å
646	T	98.6	Very high	96.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.243	C	C	.	.			trans	-79.8	-21.1	-171.9	55.3	0	0	0	0	113.2	F643 P644 Y649 S673 D676 C695 H704 S705 V707	F643-T646 HydrophobicContact CD2-CG2 4.04Å; F643-T646 HydrophobicContact CE2-CG2 3.74Å; P644-T646 PolarHBondContact O-N 3.07Å; T646-Y649 VanDerWaalsContact O-CD2 3.32Å; T646-Y649 WeakPolarHBondContact O-CD2 3.5Å; T646-Y649 WeakPolarHBondContact O-CE2 3.34Å; T646-S673 PolarHBondContact N-O 3.49Å; T646-D676 WeakPolarHBondContact CB-OD2 3.23Å; T646-D676 HydrophobicContact CG2-CB 4.4Å; T646-D676 PolarHBondContact OG1-N 3.11Å; T646-D676 PolarHBondContact OG1-OD2 2.8Å; T646-C695 HydrophobicContact CG2-CB 4.11Å; T646-H704 WeakPolarHBondContact O-CA 3.35Å; T646-S705 PolarHBondContact O-N 3.21Å; T646-V707 HydrophobicContact CG2-CG2 3.47Å; T646-V707 VanDerWaalsContact CG2-CG2 3.47Å
647	Y	98.2	Very high	96.5	Very high	18 Å²	18	45.8 Å²	45.8	7%	0.071	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-123.8	150.7	178	176.6	-103.8	0	0	0	108.6	P645 N670 P672 S673 C675 H704	P645-Y647 VanDerWaalsContact C-N 3.35Å; Y647-N670 HydrophobicContact CE1-CB 4.19Å; Y647-P672 CarbonylContact O-C 3.58Å; Y647-P672 WeakPolarHBondContact O-CA 3.28Å; Y647-S673 PolarHBondContact N-O 2.92Å; Y647-S673 VanDerWaalsContact N-O 3.17Å; Y647-S673 PolarHBondContact O-N 3.46Å; Y647-C675 VanDerWaalsContact CD1-SG 3.55Å; Y647-H704 AromaticContact CD2-CD2 3.59Å; Y647-H704 AromaticContact CD2-CE1 3.5Å; Y647-H704 VanDerWaalsContact CD2-CE1 3.5Å; Y647-H704 WeakPolarHBondContact CD2-CE1 3.38Å; Y647-H704 AromaticContact CD2-ND1 3.97Å; Y647-H704 AromaticContact CD2-NE2 3.2Å; Y647-H704 WeakPolarHBondContact CD2-NE2 3.36Å; Y647-H704 AromaticContact CE2-NE2 3.49Å; Y647-H704 WeakPolarHBondContact CE2-NE2 3.35Å
648	R	96.1	Very high	96.2	Very high	39 Å²	39	46 Å²	46	15%	0.147	24%	0.243	C	C	.	.			cis	-112.8	110.5	-7.4	-171.4	174.3	-172.3	-112.7	-12.4	110.3	Y657 V658 D703	R648-Y657 CarbonylContact O-C 3.46Å; R648-Y657 VanDerWaalsContact O-CA 3.25Å; R648-Y657 WeakPolarHBondContact O-CA 3.46Å; R648-Y657 WeakPolarHBondContact O-CD1 3.35Å; R648-V658 WeakPolarHBondContact CD-O 3.3Å; R648-V658 PolarHBondContact O-N 2.96Å; R648-D703 WeakPolarHBondContact CA-O 3.5Å; R648-D703 HydrophobicContact CG-CB 3.97Å; R648-D703 IonicContact CZ-OD2 3.17Å; R648-D703 IonicContact NE-OD2 2.73Å; R648-D703 PolarHBondContact NE-OD2 3.33Å; R648-D703 IonicContact NH2-OD2 3.68Å; R648-D703 PolarHBondContact NH2-OD2 3.24Å
649	Y	96.6	Very high	95.7	Very high	9 Å²	9	47.7 Å²	47.7	4%	0.035	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-83.8	161	179.7	-72.6	-74.9	0	0	0	113.2	P645 T646 R654 Y657 D703	P645-Y649 WeakPolarHBondContact O-CE2 3.46Å; P645-Y649 PolarHBondContact O-OH 2.87Å; T646-Y649 VanDerWaalsContact O-CD2 3.32Å; T646-Y649 WeakPolarHBondContact O-CD2 3.5Å; T646-Y649 WeakPolarHBondContact O-CE2 3.34Å; Y649-R654 VanDerWaalsContact CB-CZ 3.41Å; Y649-R654 VanDerWaalsContact CB-NH2 3.34Å; Y649-R654 HydrophobicContact CD1-CB 4.21Å; Y649-R654 HydrophobicContact CE1-CB 4.01Å; Y649-R654 VanDerWaalsContact CE1-O 3.24Å; Y649-R654 WeakPolarHBondContact CE1-O 3.44Å; Y649-Y657 HydrophobicContact CD1-CD1 4.25Å; Y649-Y657 HydrophobicContact CD1-CE1 4.11Å; Y649-Y657 HydrophobicContact CD2-CE1 4.46Å; Y649-Y657 HydrophobicContact CE1-CD1 4.31Å; Y649-Y657 HydrophobicContact CE1-CD2 4.44Å; Y649-Y657 AromaticContact CE1-CE1 3.77Å; Y649-Y657 HydrophobicContact CE1-CE1 3.77Å; Y649-Y657 AromaticContact CE1-CE2 3.91Å; Y649-Y657 HydrophobicContact CE1-CE2 3.91Å; Y649-Y657 AromaticContact CE1-CZ 3.56Å; Y649-Y657 HydrophobicContact CE2-CE1 4.15Å; Y649-Y657 HydrophobicContact CG-CE1 4.45Å; Y649-Y657 AromaticContact CZ-CE1 3.8Å; Y649-Y657 AromaticContact CZ-CZ 3.63Å; Y649-Y657 PolarHBondContact OH-OH 2.79Å; Y649-D703 PolarHBondContact N-O 3.42Å; Y649-D703 WeakPolarHBondContact O-CB 3.46Å
650	E	95.1	Very high	95.1	Very high	91 Å²	91	50.4 Å²	50.4	43%	0.425	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-66.3	146	158.8	-170.6	160.9	-132.4	0	0	110.7	R654 T656 V658	E650-R654 PolarHBondContact O-NH2 2.64Å; E650-T656 PolarHBondContact N-O 3.17Å; E650-V658 HydrophobicContact CB-CG2 3.68Å; E650-V658 HydrophobicContact CG-CG2 4.2Å
651	R	94.1	Very high	94.2	Very high	113 Å²	113	47.7 Å²	47.7	43%	0.426	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	124.8	176	-66.7	-176.3	-179.1	-162.9	5	109.2	G420 V422 T701 D703	G420-R651 VanDerWaalsContact O-CZ 3.29Å; G420-R651 PolarHBondContact O-NH1 3.13Å; G420-R651 PolarHBondContact O-NH2 2.8Å; V422-R651 VanDerWaalsContact CG1-NH1 3.33Å; R651-T701 VanDerWaalsContact CD-O 3.32Å; R651-T701 WeakPolarHBondContact CD-O 3.33Å; R651-T701 WeakPolarHBondContact CG-O 3.21Å; R651-D703 HydrophobicContact CG-CB 4.24Å; R651-D703 IonicContact CZ-OD1 3Å; R651-D703 VanDerWaalsContact CZ-OD1 3.22Å; R651-D703 IonicContact NE-OD1 2.66Å; R651-D703 PolarHBondContact NE-OD1 2.96Å; R651-D703 IonicContact NH2-OD1 3.72Å; R651-D703 PolarHBondContact NH2-OD1 2.9Å
652	G	93.4	Very high	92.9	Very high	57 Å²	57	54.5 Å²	54.5	59%	0.588	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.4	-13	-175.1	0	0	0	0	0	115.5	V700	G652-V700 PolarHBondContact N-O 3.35Å
653	S	93.2	Very high	91.5	Very high	24 Å²	24	55.1 Å²	55.1	17%	0.168	27%	0.274	C	S	.	.			trans	-145.3	160.9	177.8	160.8	0	0	0	0	110.7	D655	S653-D655 WeakPolarHBondContact OG-CB 3.45Å; S653-D655 VanDerWaalsContact OG-CG 3.28Å; S653-D655 PolarHBondContact OG-N 3.35Å; S653-D655 PolarHBondContact OG-OD2 3.11Å
654	R	95.1	Very high	89.8	Confident	31 Å²	31	59.8 Å²	59.8	12%	0.117	31%	0.313	C	S	.	.	S	Bend	trans	-112.3	6.9	165.6	-59.1	-65.6	82.3	150.1	3.2	112.9	Y649 E650 D697 I699 V700 S702 H704 S705	Y649-R654 VanDerWaalsContact CB-CZ 3.41Å; Y649-R654 VanDerWaalsContact CB-NH2 3.34Å; Y649-R654 HydrophobicContact CD1-CB 4.21Å; Y649-R654 HydrophobicContact CE1-CB 4.01Å; Y649-R654 VanDerWaalsContact CE1-O 3.24Å; Y649-R654 WeakPolarHBondContact CE1-O 3.44Å; E650-R654 PolarHBondContact O-NH2 2.64Å; R654-D697 WeakPolarHBondContact CG-O 3.46Å; R654-I699 PolarHBondContact NH1-O 3.15Å; R654-V700 HydrophobicContact CG-CG1 4Å; R654-S702 PolarHBondContact NH1-O 2.66Å; R654-S702 VanDerWaalsContact NH1-O 3.13Å; R654-S702 PolarHBondContact NH2-O 3.3Å; R654-H704 PolarHBondContact NH1-O 3.32Å; R654-S705 WeakPolarHBondContact CD-OG 3.38Å; R654-S705 PolarHBondContact NH1-OG 2.94Å
655	D	92.7	Very high	87.8	Confident	147 Å²	147	61.7 Å²	61.7	79%	0.786	32%	0.324	S	S	*	.	S	Bend	trans	-77	-27.5	-178.6	-49.1	-68	0	0	0	111.8	S653	S653-D655 WeakPolarHBondContact OG-CB 3.45Å; S653-D655 VanDerWaalsContact OG-CG 3.28Å; S653-D655 PolarHBondContact OG-N 3.35Å; S653-D655 PolarHBondContact OG-OD2 3.11Å
656	T	93.4	Very high	86.5	Confident	65 Å²	65	63.1 Å²	63.1	40%	0.399	34%	0.339	S	S	.	.			trans	-121.3	132.5	-171.1	-50.6	0	0	0	0	112.3	E650	E650-T656 PolarHBondContact N-O 3.17Å
657	Y	95.8	Very high	85.2	Confident	25 Å²	25	67.6 Å²	67.6	10%	0.098	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-95.7	126	167.8	-75	-85.7	0	0	0	111.6	L606 I609 P645 R648 Y649 W659 P672	L606-Y657 HydrophobicContact CD2-CD2 4.34Å; I609-Y657 HydrophobicContact CD1-CE2 4.08Å; I609-Y657 HydrophobicContact CG2-CE2 3.92Å; P645-Y657 HydrophobicContact CB-CE1 4.36Å; P645-Y657 WeakPolarHBondContact O-CE1 3.39Å; P645-Y657 PolarHBondContact O-OH 2.87Å; R648-Y657 CarbonylContact O-C 3.46Å; R648-Y657 VanDerWaalsContact O-CA 3.25Å; R648-Y657 WeakPolarHBondContact O-CA 3.46Å; R648-Y657 WeakPolarHBondContact O-CD1 3.35Å; Y649-Y657 HydrophobicContact CD1-CD1 4.25Å; Y649-Y657 HydrophobicContact CD1-CE1 4.11Å; Y649-Y657 HydrophobicContact CD2-CE1 4.46Å; Y649-Y657 HydrophobicContact CE1-CD1 4.31Å; Y649-Y657 HydrophobicContact CE1-CD2 4.44Å; Y649-Y657 AromaticContact CE1-CE1 3.77Å; Y649-Y657 HydrophobicContact CE1-CE1 3.77Å; Y649-Y657 AromaticContact CE1-CE2 3.91Å; Y649-Y657 HydrophobicContact CE1-CE2 3.91Å; Y649-Y657 AromaticContact CE1-CZ 3.56Å; Y649-Y657 HydrophobicContact CE2-CE1 4.15Å; Y649-Y657 HydrophobicContact CG-CE1 4.45Å; Y649-Y657 AromaticContact CZ-CE1 3.8Å; Y649-Y657 AromaticContact CZ-CZ 3.63Å; Y649-Y657 PolarHBondContact OH-OH 2.79Å; Y657-W659 PolarHBondContact O-N 2.93Å; Y657-P672 HydrophobicContact CD1-CB 3.82Å; Y657-P672 HydrophobicContact CD1-CG 3.75Å; Y657-P672 HydrophobicContact CD2-CG 4.37Å; Y657-P672 HydrophobicContact CE1-CB 3.85Å; Y657-P672 HydrophobicContact CE1-CG 4.26Å; Y657-P672 HydrophobicContact CG-CB 4.31Å; Y657-P672 HydrophobicContact CG-CG 3.8Å
658	V	92.6	Very high	84.2	Confident	44 Å²	44	69.1 Å²	69.1	27%	0.267	37%	0.366	S	S	.	.			trans	-96.1	78	179.8	-175.9	0	0	0	0	109.9	R648 E650	R648-V658 WeakPolarHBondContact CD-O 3.3Å; R648-V658 PolarHBondContact O-N 2.96Å; E650-V658 HydrophobicContact CB-CG2 3.68Å; E650-V658 HydrophobicContact CG-CG2 4.2Å
659	W	87.6	Confident	83.5	Confident	65 Å²	65	70.2 Å²	70.2	25%	0.246	38%	0.378	C	S	.	.			trans	-79.1	-24.5	-177.4	58.7	-88.9	0	0	0	114.1	I602 Y657 T669 N670	I602-W659 HydrophobicContact CD1-CB 3.65Å; I602-W659 HydrophobicContact CD1-CD2 4.07Å; I602-W659 HydrophobicContact CD1-CG 3.61Å; I602-W659 HydrophobicContact CG1-CB 4.21Å; I602-W659 HydrophobicContact CG1-CD2 3.6Å; I602-W659 HydrophobicContact CG1-CE3 3.98Å; I602-W659 HydrophobicContact CG1-CG 3.71Å; I602-W659 HydrophobicContact CG1-CZ2 4.47Å; I602-W659 HydrophobicContact CG2-CE3 4.37Å; I602-W659 HydrophobicContact CG2-CH2 4.35Å; I602-W659 HydrophobicContact CG2-CZ3 4.2Å; Y657-W659 PolarHBondContact O-N 2.93Å; W659-T669 HydrophobicContact CE3-CG2 4.13Å; W659-T669 CarbonylContact O-C 3.6Å; W659-T669 WeakPolarHBondContact O-CA 3.49Å; W659-N670 VanDerWaalsContact CA-O 3.28Å; W659-N670 WeakPolarHBondContact CA-O 3.47Å; W659-N670 PolarHBondContact O-N 2.85Å
660	Q	85.6	Confident	83	Confident	104 Å²	104	70.3 Å²	70.3	49%	0.486	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	125.3	172.4	-69.1	-174	-19.6	0	0	110.3	M667	Q660-M667 HydrophobicContact CB-SD 3.8Å; Q660-M667 HydrophobicContact CG-SD 4Å
661	K	78.4	Confident	83	Confident	94 Å²	94	66.2 Å²	66.2	41%	0.409	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	117.1	171.9	-176	169.5	-179.7	173.4	0	110.4	R668	K661-R668 PolarHBondContact N-O 3.27Å; K661-R668 PolarHBondContact O-N 2.98Å
662	Q	72.1	Confident	83.1	Confident	152 Å²	152	60.9 Å²	60.9	71%	0.71	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	133.5	169	-155.2	94.8	18.8	0	0	109.3	M667	Q662-M667 HydrophobicContact CB-CE 4.05Å; Q662-M667 HydrophobicContact CG-CE 4.41Å; Q662-M667 VanDerWaalsContact OE1-CE 3.29Å
663	K	68	Low	83.4	Confident	64 Å²	64	58.2 Å²	58.2	28%	0.278	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	167.2	163.7	-82.9	-171.6	163.6	-159.6	0	108.4	T665 G666 D1212	K663-T665 WeakPolarHBondContact CB-OG1 3.42Å; K663-T665 WeakPolarHBondContact CD-OG1 3.5Å; K663-T665 PolarHBondContact O-N 2.98Å; K663-G666 PolarHBondContact N-O 2.9Å; K663-G666 PolarHBondContact O-N 2.94Å; K663-G666 VanDerWaalsContact O-N 3.14Å; K663-D1212 IonicContact NZ-OD1 2.67Å; K663-D1212 PolarHBondContact NZ-OD1 3.43Å; K663-D1212 IonicContact NZ-OD2 3.97Å; K663-D1212 PolarHBondContact NZ-OD2 3.06Å
664	A	61.4	Low	83.6	Confident	99 Å²	99	57 Å²	57	82%	0.818	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-30.7	164	0	0	0	0	0	112.2	G666	A664-G666 VanDerWaalsContact C-N 3.29Å; A664-G666 PolarHBondContact O-N 2.84Å
665	T	57.1	Low	83.8	Confident	54 Å²	54	55.6 Å²	55.6	33%	0.331	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	2.4	180	67.4	0	0	0	0	114.6	K663 D1212 D1213	K663-T665 WeakPolarHBondContact CB-OG1 3.42Å; K663-T665 WeakPolarHBondContact CD-OG1 3.5Å; K663-T665 PolarHBondContact O-N 2.98Å; T665-D1212 VanDerWaalsContact CB-OD2 3.26Å; T665-D1212 WeakPolarHBondContact CB-OD2 3.38Å; T665-D1212 HydrophobicContact CG2-CB 3.92Å; T665-D1212 WeakPolarHBondContact CG2-O 3.42Å; T665-D1212 WeakPolarHBondContact CG2-OD2 3.49Å; T665-D1212 PolarHBondContact OG1-OD2 3.28Å; T665-D1213 HydrophobicContact CG2-CB 3.63Å
666	G	70.4	Confident	84.1	Confident	30 Å²	30	48.6 Å²	48.6	31%	0.309	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	115	-155.1	179.2	0	0	0	0	0	114.3	K663 A664	K663-G666 PolarHBondContact N-O 2.9Å; K663-G666 PolarHBondContact O-N 2.94Å; K663-G666 VanDerWaalsContact O-N 3.14Å; A664-G666 VanDerWaalsContact C-N 3.29Å; A664-G666 PolarHBondContact O-N 2.84Å
667	M	73.3	Confident	84.4	Confident	94 Å²	94	45.5 Å²	45.5	46%	0.463	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	116.3	-178.4	-174.7	97.3	-48.5	0	0	110.8	Q660 Q662	Q660-M667 HydrophobicContact CB-SD 3.8Å; Q660-M667 HydrophobicContact CG-SD 4Å; Q662-M667 HydrophobicContact CB-CE 4.05Å; Q662-M667 HydrophobicContact CG-CE 4.41Å; Q662-M667 VanDerWaalsContact OE1-CE 3.29Å
668	R	75.5	Confident	84.5	Confident	50 Å²	50	44.4 Å²	44.4	19%	0.189	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.4	176.9	-175.6	166.5	166.9	147	-1.9	112.2	E553 K661 N670	E553-R668 IonicContact OE1-CZ 3.66Å; E553-R668 VanDerWaalsContact OE1-CZ 3.26Å; E553-R668 IonicContact OE1-NH1 3.65Å; E553-R668 PolarHBondContact OE1-NH1 2.97Å; E553-R668 IonicContact OE1-NH2 3.38Å; E553-R668 PolarHBondContact OE1-NH2 2.69Å; E553-R668 IonicContact OE2-CZ 2.73Å; E553-R668 IonicContact OE2-NH1 3.87Å; E553-R668 IonicContact OE2-NH2 2.71Å; E553-R668 PolarHBondContact OE2-NH2 2.91Å; K661-R668 PolarHBondContact N-O 3.27Å; K661-R668 PolarHBondContact O-N 2.98Å; R668-N670 PolarHBondContact O-ND2 3.35Å
669	T	81.8	Confident	84.8	Confident	62 Å²	62	42.3 Å²	42.3	38%	0.38	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	131	170.9	-61.4	0	0	0	0	110.8	W659 V671	W659-T669 HydrophobicContact CE3-CG2 4.13Å; W659-T669 CarbonylContact O-C 3.6Å; W659-T669 WeakPolarHBondContact O-CA 3.49Å; T669-V671 HydrophobicContact CG2-CG1 3.67Å
670	N	86.3	Confident	85.4	Confident	11 Å²	11	40.7 Å²	40.7	6%	0.059	22%	0.219	C	C	.	.			trans	-127.5	88.1	167.9	-71.8	-91.6	0	0	0	106.8	R597 Y647 W659 R668	R597-N670 PolarHBondContact NH1-OD1 3.05Å; Y647-N670 HydrophobicContact CE1-CB 4.19Å; W659-N670 VanDerWaalsContact CA-O 3.28Å; W659-N670 WeakPolarHBondContact CA-O 3.47Å; W659-N670 PolarHBondContact O-N 2.85Å; R668-N670 PolarHBondContact O-ND2 3.35Å
671	V	94.3	Very high	86	Confident	6 Å²	6	36.8 Å²	36.8	4%	0.036	20%	0.201	C	C	.	.			trans	-58.5	154.9	-179.3	-56.2	0	0	0	0	111.6	L598 I602 I605 T669 S673	L598-V671 HydrophobicContact CB-CG2 4.22Å; I602-V671 HydrophobicContact CB-CG1 4.27Å; I602-V671 HydrophobicContact CD1-CB 4.39Å; I602-V671 HydrophobicContact CD1-CG1 4.36Å; I605-V671 HydrophobicContact CD1-CB 3.63Å; I605-V671 HydrophobicContact CD1-CG1 4.03Å; I605-V671 HydrophobicContact CD1-CG2 3.74Å; T669-V671 HydrophobicContact CG2-CG1 3.67Å; V671-S673 PolarHBondContact O-N 2.96Å; V671-S673 PolarHBondContact O-OG 2.8Å
672	P	97.9	Very high	86.9	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.006	19%	0.192	C	C	.	.			trans	-50.4	137.8	169.9	-26.9	34.3	0	0	0	111.5	L598 I602 I605 L606 I609 P645 Y647 Y657	L598-P672 WeakPolarHBondContact CD1-O 3.4Å; L598-P672 WeakPolarHBondContact CG-O 3.08Å; I602-P672 HydrophobicContact CD1-CG 4.23Å; I605-P672 HydrophobicContact CG2-CB 3.83Å; I605-P672 HydrophobicContact CG2-CG 3.83Å; L606-P672 HydrophobicContact CD2-CG 4.27Å; I609-P672 HydrophobicContact CD1-CB 3.67Å; I609-P672 HydrophobicContact CD1-CG 3.95Å; P645-P672 HydrophobicContact CB-CB 3.88Å; P645-P672 HydrophobicContact CG-CB 4.15Å; Y647-P672 CarbonylContact O-C 3.58Å; Y647-P672 WeakPolarHBondContact O-CA 3.28Å; Y657-P672 HydrophobicContact CD1-CB 3.82Å; Y657-P672 HydrophobicContact CD1-CG 3.75Å; Y657-P672 HydrophobicContact CD2-CG 4.37Å; Y657-P672 HydrophobicContact CE1-CB 3.85Å; Y657-P672 HydrophobicContact CE1-CG 4.26Å; Y657-P672 HydrophobicContact CG-CB 4.31Å; Y657-P672 HydrophobicContact CG-CG 3.8Å
673	S	98.4	Very high	88.1	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-155.5	151.3	-175.3	-67.8	0	0	0	0	113.1	R597 L598 T646 Y647 V671 C675	R597-S673 VanDerWaalsContact CA-OG 3.27Å; R597-S673 WeakPolarHBondContact CA-OG 3.13Å; R597-S673 WeakPolarHBondContact CD-OG 3.45Å; L598-S673 PolarHBondContact N-OG 3.04Å; L598-S673 VanDerWaalsContact N-OG 3.11Å; T646-S673 PolarHBondContact N-O 3.49Å; Y647-S673 PolarHBondContact N-O 2.92Å; Y647-S673 VanDerWaalsContact N-O 3.17Å; Y647-S673 PolarHBondContact O-N 3.46Å; V671-S673 PolarHBondContact O-N 2.96Å; V671-S673 PolarHBondContact O-OG 2.8Å; S673-C675 VanDerWaalsContact C-N 3.27Å; S673-C675 PolarHBondContact O-N 3.3Å; S673-C675 VanDerWaalsContact O-N 3.14Å
674	W	98.8	Very high	89.5	Confident	0 Å²	0	27 Å²	27	0%	0	17%	0.165	C	C	.	.			trans	-84.8	71.7	170.3	-68.9	-78.8	0	0	0	110.1	L598 F614 L617 L618 I641 F643 P644 P645 R677	L598-W674 HydrophobicContact CD1-CZ3 4.28Å; L598-W674 HydrophobicContact CD2-CE3 3.85Å; L598-W674 HydrophobicContact CD2-CZ3 3.85Å; F614-W674 HydrophobicContact CB-CH2 4.04Å; F614-W674 HydrophobicContact CB-CZ2 4.15Å; F614-W674 HydrophobicContact CD1-CH2 4.47Å; F614-W674 HydrophobicContact CD1-CZ2 4.25Å; F614-W674 HydrophobicContact CG-CH2 4.47Å; F614-W674 HydrophobicContact CG-CZ2 4.2Å; L617-W674 HydrophobicContact CB-CH2 3.72Å; L617-W674 HydrophobicContact CB-CZ3 3.65Å; L617-W674 HydrophobicContact CD1-CH2 4.13Å; L618-W674 HydrophobicContact CD2-CD2 4.19Å; L618-W674 HydrophobicContact CD2-CE3 3.74Å; L618-W674 HydrophobicContact CD2-CH2 3.9Å; L618-W674 HydrophobicContact CD2-CZ2 4.32Å; L618-W674 HydrophobicContact CD2-CZ3 3.58Å; L618-W674 HydrophobicContact CG-CH2 3.97Å; L618-W674 HydrophobicContact CG-CZ3 3.93Å; I641-W674 HydrophobicContact CD1-CG 4.45Å; I641-W674 HydrophobicContact CG2-CD2 4.13Å; I641-W674 HydrophobicContact CG2-CG 4.26Å; I641-W674 HydrophobicContact CG2-CZ2 4.02Å; I641-W674 VanDerWaalsContact CG2-NE1 3.32Å; F643-W674 AromaticContact CD2-CD1 4Å; F643-W674 AromaticContact CD2-NE1 3.89Å; F643-W674 AromaticContact CE2-CD1 3.66Å; F643-W674 WeakPolarHBondContact O-CZ2 3.25Å; F643-W674 PolarHBondContact O-NE1 3.08Å; P644-W674 VanDerWaalsContact C-NE1 3.27Å; P644-W674 PolarHBondContact O-NE1 2.83Å; P645-W674 HydrophobicContact CB-CD2 4.44Å; P645-W674 HydrophobicContact CG-CD2 4.16Å; P645-W674 HydrophobicContact CG-CE3 4.38Å; P645-W674 HydrophobicContact CG-CH2 4.05Å; P645-W674 HydrophobicContact CG-CZ2 3.8Å; P645-W674 HydrophobicContact CG-CZ3 4.33Å; W674-R677 WeakPolarHBondContact O-CD 3.25Å; W674-R677 PolarHBondContact O-NH1 3.4Å; W674-R677 VanDerWaalsContact O-NH1 3.11Å
675	C	98.7	Very high	91	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.			trans	-68.9	-38.8	176.9	-67.1	0	0	0	0	111.9	D593 L594 N595 Y647 S673	D593-C675 WeakPolarHBondContact OD1-CB 3.19Å; L594-C675 PolarHBondContact N-O 3.5Å; N595-C675 PolarHBondContact N-O 2.96Å; Y647-C675 VanDerWaalsContact CD1-SG 3.55Å; S673-C675 VanDerWaalsContact C-N 3.27Å; S673-C675 PolarHBondContact O-N 3.3Å; S673-C675 VanDerWaalsContact O-N 3.14Å
676	D	98.9	Very high	92.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	116.7	-172.5	-50.2	-99.4	0	0	0	110	T416 G592 T646 H704 V707	T416-D676 HydrophobicContact CG2-CB 4.25Å; G592-D676 WeakPolarHBondContact O-CA 3.47Å; T646-D676 WeakPolarHBondContact CB-OD2 3.23Å; T646-D676 HydrophobicContact CG2-CB 4.4Å; T646-D676 PolarHBondContact OG1-N 3.11Å; T646-D676 PolarHBondContact OG1-OD2 2.8Å; D676-H704 IonicContact OD1-CG 3.41Å; D676-H704 IonicContact OD1-ND1 2.92Å; D676-H704 PolarHBondContact OD1-ND1 3.42Å; D676-H704 IonicContact OD2-CE1 3.44Å; D676-H704 IonicContact OD2-CG 2.73Å; D676-H704 IonicContact OD2-ND1 2.67Å; D676-H704 PolarHBondContact OD2-ND1 3.17Å; D676-V707 HydrophobicContact CB-CB 4.36Å; D676-V707 HydrophobicContact CB-CG2 3.68Å
677	R	98.9	Very high	93.8	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	157.8	-167.4	-54.5	-68.7	-88.9	-97	2	113.3	L591 G592 L594 D621 L623 N624 E638 W674 L679	L591-R677 VanDerWaalsContact CA-O 3.29Å; L591-R677 WeakPolarHBondContact CA-O 3.11Å; G592-R677 PolarHBondContact N-O 3.1Å; G592-R677 VanDerWaalsContact N-O 3.15Å; G592-R677 PolarHBondContact O-N 2.95Å; L594-R677 HydrophobicContact CB-CG 4.49Å; L594-R677 HydrophobicContact CD1-CB 3.68Å; L594-R677 HydrophobicContact CD1-CG 4.07Å; L594-R677 HydrophobicContact CG-CB 4.01Å; L594-R677 HydrophobicContact CG-CG 4.28Å; D621-R677 VanDerWaalsContact CG-NH1 3.25Å; D621-R677 IonicContact OD1-CZ 2.72Å; D621-R677 IonicContact OD1-NH1 3.26Å; D621-R677 PolarHBondContact OD1-NH1 3.38Å; D621-R677 IonicContact OD2-CZ 2.86Å; D621-R677 IonicContact OD2-NH1 3.66Å; D621-R677 PolarHBondContact OD2-NH1 3.42Å; D621-R677 IonicContact OD2-NH2 2.69Å; D621-R677 PolarHBondContact OD2-NH2 3.2Å; L623-R677 HydrophobicContact CD2-CG 4.07Å; N624-R677 PolarHBondContact OD1-NH2 3.31Å; E638-R677 WeakPolarHBondContact OE1-CD 3.3Å; E638-R677 IonicContact OE1-CZ 3.69Å; E638-R677 IonicContact OE1-NE 3.89Å; E638-R677 PolarHBondContact OE1-NE 3.28Å; E638-R677 IonicContact OE1-NH2 2.8Å; E638-R677 IonicContact OE2-CZ 2.77Å; E638-R677 IonicContact OE2-NE 2.7Å; E638-R677 IonicContact OE2-NH2 3.81Å; E638-R677 PolarHBondContact OE2-NH2 3.22Å; W674-R677 WeakPolarHBondContact O-CD 3.25Å; W674-R677 PolarHBondContact O-NH1 3.4Å; W674-R677 VanDerWaalsContact O-NH1 3.11Å; R677-L679 HydrophobicContact CB-CD1 3.97Å
678	I	98.9	Very high	94.9	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	113.4	174.2	-54.5	174.5	0	0	0	109.6	I414 T416 L591 Y693 V707 F711	I414-I678 HydrophobicContact CB-CD1 4.36Å; I414-I678 HydrophobicContact CB-CG2 4.43Å; I414-I678 HydrophobicContact CG2-CD1 4.08Å; I414-I678 HydrophobicContact CG2-CG1 4.46Å; I414-I678 HydrophobicContact CG2-CG2 4.02Å; I414-I678 WeakPolarHBondContact O-CD1 3.48Å; T416-I678 HydrophobicContact CG2-CG1 4.06Å; L591-I678 HydrophobicContact CB-CG1 4.13Å; I678-Y693 HydrophobicContact CB-CE2 3.89Å; I678-Y693 HydrophobicContact CD1-CE2 4.28Å; I678-Y693 HydrophobicContact CG1-CE2 4.13Å; I678-Y693 PolarHBondContact N-OH 3.25Å; I678-Y693 VanDerWaalsContact N-OH 3.13Å; I678-V707 HydrophobicContact CD1-CG1 3.98Å; I678-V707 HydrophobicContact CG1-CG1 4.22Å; I678-F711 HydrophobicContact CG2-CE2 4.16Å; I678-F711 HydrophobicContact CG2-CZ 4.2Å
679	L	98.9	Very high	95.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	159.1	178.4	-60.5	94.4	0	0	0	110.5	W590 L594 L623 F633 F636 A637 E638 R677	W590-L679 PolarHBondContact N-O 3.07Å; W590-L679 PolarHBondContact O-N 3.19Å; L594-L679 HydrophobicContact CD1-CD1 3.63Å; L623-L679 HydrophobicContact CD2-CD1 4.19Å; L623-L679 HydrophobicContact CD2-CD2 4.49Å; F633-L679 HydrophobicContact CB-CD2 4.22Å; F633-L679 HydrophobicContact CD1-CD2 4.2Å; F633-L679 HydrophobicContact CG-CD2 4.14Å; F636-L679 HydrophobicContact CB-CB 4.4Å; F636-L679 HydrophobicContact CB-CD2 4.43Å; F636-L679 HydrophobicContact CD1-CB 4.27Å; A637-L679 VanDerWaalsContact O-CA 3.31Å; A637-L679 WeakPolarHBondContact O-CA 3.37Å; A637-L679 WeakPolarHBondContact O-CB 3.41Å; E638-L679 HydrophobicContact CB-CD2 4.15Å; E638-L679 HydrophobicContact CB-CG 4.06Å; E638-L679 HydrophobicContact CG-CG 4.24Å; R677-L679 HydrophobicContact CB-CD1 3.97Å
680	W	98.8	Very high	96.3	Very high	31 Å²	31	21.4 Å²	21.4	12%	0.117	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	153.1	175.2	68.9	99.1	0	0	0	113.1	L588 F589 F636 A637 E639 I688 C690 F711	L588-W680 CarbonylContact O-C 3.51Å; L588-W680 VanDerWaalsContact O-CA 3.26Å; L588-W680 WeakPolarHBondContact O-CA 3.49Å; F589-W680 HydrophobicContact CD1-CB 3.58Å; F589-W680 HydrophobicContact CE1-CB 3.8Å; F589-W680 HydrophobicContact CE1-CG 4.34Å; F589-W680 HydrophobicContact CG-CB 4.4Å; F636-W680 CarbonylContact C-O 3.58Å; F636-W680 WeakPolarHBondContact CA-O 3.28Å; A637-W680 HydrophobicContact CB-CD2 4Å; A637-W680 HydrophobicContact CB-CG 4.47Å; A637-W680 HydrophobicContact CB-CH2 4.23Å; A637-W680 HydrophobicContact CB-CZ2 3.67Å; A637-W680 PolarHBondContact N-O 3.06Å; A637-W680 PolarHBondContact O-N 2.74Å; E639-W680 HydrophobicContact CB-CH2 3.95Å; E639-W680 HydrophobicContact CB-CZ3 4.09Å; W680-I688 HydrophobicContact CG-CD1 4.21Å; W680-C690 HydrophobicContact CH2-CB 4.01Å; W680-C690 HydrophobicContact CZ2-CB 4.39Å; W680-F711 AromaticContact CD2-CE1 3.73Å; W680-F711 HydrophobicContact CD2-CE1 3.73Å; W680-F711 HydrophobicContact CD2-CZ 4.32Å; W680-F711 AromaticContact CE3-CE1 3.49Å; W680-F711 HydrophobicContact CE3-CE1 3.49Å; W680-F711 VanDerWaalsContact CE3-CE1 3.49Å; W680-F711 AromaticContact CE3-CZ 3.73Å; W680-F711 HydrophobicContact CE3-CZ 3.73Å; W680-F711 HydrophobicContact CG-CE1 4.39Å; W680-F711 HydrophobicContact CH2-CE1 4.14Å; W680-F711 HydrophobicContact CZ2-CE1 4.33Å; W680-F711 AromaticContact CZ3-CE1 3.7Å; W680-F711 HydrophobicContact CZ3-CE1 3.7Å; W680-F711 HydrophobicContact CZ3-CZ 4.01Å
681	K	98.5	Very high	96.5	Very high	22 Å²	22	22 Å²	22	10%	0.096	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.9	168.6	-173.8	176.4	174.3	-172.5	0	107.6	S582 L588 F636	S582-K681 VanDerWaalsContact CB-NZ 3.32Å; S582-K681 VanDerWaalsContact O-CD 3.3Å; S582-K681 WeakPolarHBondContact O-CD 3.2Å; S582-K681 WeakPolarHBondContact O-CE 3.5Å; S582-K681 PolarHBondContact O-NZ 2.84Å; S582-K681 PolarHBondContact OG-NZ 3.02Å; L588-K681 PolarHBondContact N-O 2.65Å; L588-K681 PolarHBondContact O-N 3.34Å; F636-K681 HydrophobicContact CD1-CB 3.81Å; F636-K681 HydrophobicContact CD2-CB 4.13Å; F636-K681 HydrophobicContact CD2-CD 4.06Å; F636-K681 HydrophobicContact CE1-CB 3.87Å; F636-K681 HydrophobicContact CE2-CB 4.21Å; F636-K681 HydrophobicContact CE2-CD 3.84Å; F636-K681 HydrophobicContact CG-CB 3.95Å; F636-K681 HydrophobicContact CZ-CB 4.08Å; F636-K681 HydrophobicContact CZ-CD 4.28Å
682	S	98.3	Very high	96.6	Very high	34 Å²	34	21.8 Å²	21.8	24%	0.238	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	157.3	-179	-57.1	0	0	0	0	110.7	T586 H587	T586-S682 CarbonylContact O-C 3.55Å; T586-S682 WeakPolarHBondContact O-CA 3.47Å; T586-S682 WeakPolarHBondContact O-CB 3.36Å; H587-S682 WeakPolarHBondContact ND1-CB 3.38Å; H587-S682 PolarHBondContact ND1-OG 3.14Å
683	Y	97.8	Very high	96.6	Very high	18 Å²	18	21.9 Å²	21.9	7%	0.071	12%	0.117	C	C	.	.			trans	-65	150.2	176.9	-71	-5.3	0	0	0	111.4	L583 R584 F585 T586 T686 H806 L808 V824	L583-Y683 PolarHBondContact O-OH 2.8Å; L583-Y683 VanDerWaalsContact O-OH 3.06Å; R584-Y683 VanDerWaalsContact C-OH 3.3Å; F585-Y683 PolarHBondContact N-OH 2.68Å; F585-Y683 WeakPolarHBondContact O-CD1 3.07Å; F585-Y683 WeakPolarHBondContact O-CE1 3.24Å; T586-Y683 HydrophobicContact CG2-CD2 4.11Å; T586-Y683 PolarHBondContact O-N 2.91Å; Y683-T686 WeakPolarHBondContact O-CB 3.1Å; Y683-T686 WeakPolarHBondContact O-CG2 3.41Å; Y683-T686 PolarHBondContact O-N 2.74Å; Y683-T686 PolarHBondContact O-OG1 3.39Å; Y683-H806 HydrophobicContact CD2-CB 3.84Å; Y683-H806 AromaticContact CD2-CG 3.54Å; Y683-H806 AromaticContact CD2-ND1 3.57Å; Y683-H806 HydrophobicContact CE2-CB 4.23Å; Y683-L808 HydrophobicContact CE2-CD1 4.23Å; Y683-V824 HydrophobicContact CD1-CG1 4.15Å; Y683-V824 HydrophobicContact CD1-CG2 4.05Å; Y683-V824 HydrophobicContact CD2-CG2 4.28Å; Y683-V824 HydrophobicContact CE1-CG2 4.31Å; Y683-V824 HydrophobicContact CG-CG2 4.04Å
684	P	95.9	Very high	96.6	Very high	53 Å²	53	21.9 Å²	21.9	34%	0.344	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	151	179	23.2	-33.1	0	0	0	112.1	T686 H806 V824 A826	P684-T686 PolarHBondContact O-N 3.1Å; P684-T686 VanDerWaalsContact O-N 3.07Å; P684-H806 PolarHBondContact O-NE2 2.73Å; P684-V824 HydrophobicContact CG-CG1 4.32Å; P684-A826 HydrophobicContact CB-CB 4.37Å; P684-A826 HydrophobicContact CG-CB 4.11Å
685	E	94.2	Very high	96.6	Very high	87 Å²	87	21.9 Å²	21.9	41%	0.407	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	13	178.7	-56.9	-179.9	-117.9	0	0	115.5	A826 K828 S829	E685-A826 HydrophobicContact CB-CB 3.94Å; E685-A826 HydrophobicContact CG-CB 4.07Å; E685-A826 WeakPolarHBondContact OE1-CB 3.34Å; E685-K828 WeakPolarHBondContact OE2-CB 3.21Å; E685-S829 PolarHBondContact OE1-OG 2.95Å; E685-S829 WeakPolarHBondContact OE2-CB 3.18Å; E685-S829 PolarHBondContact OE2-N 3.25Å; E685-S829 PolarHBondContact OE2-OG 3.3Å
686	T	93.8	Very high	96.6	Very high	38 Å²	38	21.9 Å²	21.9	23%	0.233	12%	0.117	C	C	.	.			trans	-83.9	152.1	170.4	62.8	0	0	0	0	112.1	T586 H587 Y683 P684	T586-T686 HydrophobicContact CG2-CG2 3.77Å; H587-T686 PolarHBondContact CE1-OG1 3.42Å; Y683-T686 WeakPolarHBondContact O-CB 3.1Å; Y683-T686 WeakPolarHBondContact O-CG2 3.41Å; Y683-T686 PolarHBondContact O-N 2.74Å; Y683-T686 PolarHBondContact O-OG1 3.39Å; P684-T686 PolarHBondContact O-N 3.1Å; P684-T686 VanDerWaalsContact O-N 3.07Å
687	H	92.2	Very high	96.5	Very high	46 Å²	46	25.5 Å²	25.5	21%	0.213	14%	0.136	C	C	.	.			trans	-87.7	117.3	175.3	-176.6	88	0	0	0	110.6	M409 E712 V713 G714 Y872	M409-H687 VanDerWaalsContact CE-CD2 3.48Å; M409-H687 WeakPolarHBondContact CE-CD2 3.2Å; M409-H687 VanDerWaalsContact CE-NE2 3.28Å; M409-H687 WeakPolarHBondContact CE-NE2 3.26Å; H687-E712 IonicContact CD2-OE1 3.85Å; H687-E712 IonicContact CE1-OE1 3.91Å; H687-E712 IonicContact NE2-OE1 3.71Å; H687-E712 PolarHBondContact NE2-OE1 3.25Å; H687-V713 WeakPolarHBondContact O-CA 3.11Å; H687-G714 PolarHBondContact O-N 2.77Å; H687-Y872 HydrophobicContact CB-CD2 4.11Å; H687-Y872 HydrophobicContact CB-CE2 3.77Å; H687-Y872 AromaticContact CG-CD2 3.96Å; H687-Y872 AromaticContact ND1-CD2 3.84Å
688	I	95.3	Very high	96.3	Very high	39 Å²	39	30 Å²	30	20%	0.2	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	128.8	169.2	-179.4	159.5	0	0	0	110.3	F589 W680 F711 E712 V713	F589-I688 HydrophobicContact CE1-CD1 3.9Å; F589-I688 HydrophobicContact CZ-CD1 3.67Å; W680-I688 HydrophobicContact CG-CD1 4.21Å; I688-F711 HydrophobicContact CD1-CD1 4.23Å; I688-F711 HydrophobicContact CG1-CD1 4.26Å; I688-E712 CarbonylContact C-O 3.58Å; I688-E712 WeakPolarHBondContact CA-O 3.3Å; I688-V713 HydrophobicContact CD1-CG2 4.18Å; I688-V713 HydrophobicContact CG1-CG2 4.24Å
689	V	92.4	Very high	96.2	Very high	52 Å²	52	30.1 Å²	30.1	32%	0.315	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.4	179.6	179	0	0	0	0	109.4	F711 E712	V689-F711 CarbonylContact O-C 3.54Å; V689-F711 WeakPolarHBondContact O-CA 3.46Å; V689-E712 HydrophobicContact CB-CB 4.46Å; V689-E712 PolarHBondContact N-O 3.04Å; V689-E712 PolarHBondContact O-N 3.36Å
690	C	95.6	Very high	96.1	Very high	9 Å²	9	32 Å²	32	6%	0.061	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	119.6	169.6	-170.1	0	0	0	0	109.6	K439 E639 W680 S692 T710 F711	K439-C690 PolarHBondContact NZ-O 3.28Å; E639-C690 HydrophobicContact CB-CB 4.36Å; E639-C690 HydrophobicContact CG-CB 4.34Å; E639-C690 WeakPolarHBondContact OE2-CB 3.1Å; W680-C690 HydrophobicContact CH2-CB 4.01Å; W680-C690 HydrophobicContact CZ2-CB 4.39Å; C690-S692 PolarHBondContact SG-O 2.79Å; C690-T710 CarbonylContact C-O 3.54Å; C690-F711 HydrophobicContact CB-CD1 4Å; C690-F711 HydrophobicContact CB-CE1 3.74Å
691	N	90.8	Very high	95.9	Very high	25 Å²	25	32.6 Å²	32.6	13%	0.134	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-28.6	-177.7	-83.3	-35.1	0	0	0	112.7	Q392 K439 L441 T710 E712	Q392-N691 PolarHBondContact NE2-OD1 3.32Å; K439-N691 WeakPolarHBondContact CE-O 3.46Å; L441-N691 HydrophobicContact CD2-CB 4.49Å; N691-T710 PolarHBondContact N-O 2.79Å; N691-E712 WeakPolarHBondContact ND2-CB 3.48Å
692	S	95.9	Very high	95.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	148.5	170.8	67.4	0	0	0	0	111.6	K439 C690 G709 T710	K439-S692 CarbonylContact O-C 3.54Å; K439-S692 WeakPolarHBondContact O-CA 3.45Å; K439-S692 WeakPolarHBondContact O-CB 3.43Å; C690-S692 PolarHBondContact SG-O 2.79Å; S692-G709 CarbonylContact O-C 3.57Å; S692-G709 WeakPolarHBondContact O-CA 3.28Å; S692-T710 WeakPolarHBondContact CB-OG1 3.31Å; S692-T710 PolarHBondContact N-O 3.31Å; S692-T710 PolarHBondContact N-OG1 2.72Å; S692-T710 PolarHBondContact O-N 2.72Å; S692-T710 WeakPolarHBondContact OG-CB 3.22Å; S692-T710 WeakPolarHBondContact OG-CG2 3.39Å; S692-T710 PolarHBondContact OG-N 2.97Å; S692-T710 PolarHBondContact OG-OG1 2.57Å
693	Y	98.6	Very high	95.7	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	121.3	166.4	-173.5	-142.3	0	0	0	109.1	K439 E638 E639 I641 F643 I678 V707 F708	K439-Y693 WeakPolarHBondContact CA-O 3.34Å; K439-Y693 WeakPolarHBondContact CB-O 3.39Å; K439-Y693 PolarHBondContact N-O 3.17Å; K439-Y693 PolarHBondContact O-N 2.73Å; E638-Y693 HydrophobicContact CG-CE1 4.07Å; E638-Y693 PolarHBondContact OE1-OH 3.15Å; E639-Y693 HydrophobicContact CB-CD1 3.6Å; E639-Y693 HydrophobicContact CB-CE1 4.4Å; E639-Y693 HydrophobicContact CB-CG 3.99Å; E639-Y693 HydrophobicContact CG-CD1 4.06Å; E639-Y693 HydrophobicContact CG-CG 4.28Å; E639-Y693 WeakPolarHBondContact O-CD1 3.42Å; E639-Y693 WeakPolarHBondContact O-CE1 3.42Å; I641-Y693 HydrophobicContact CD1-CE1 4.5Å; I641-Y693 HydrophobicContact CG1-CD1 4.44Å; I641-Y693 HydrophobicContact CG1-CE1 3.74Å; F643-Y693 AromaticContact CE1-CD1 3.81Å; F643-Y693 HydrophobicContact CE1-CD1 3.81Å; F643-Y693 HydrophobicContact CE1-CD2 4.36Å; F643-Y693 AromaticContact CE1-CE1 3.87Å; F643-Y693 HydrophobicContact CE1-CE1 3.87Å; F643-Y693 HydrophobicContact CE1-CE2 4.36Å; F643-Y693 HydrophobicContact CE1-CG 4.1Å; F643-Y693 HydrophobicContact CZ-CD1 4.41Å; F643-Y693 HydrophobicContact CZ-CE1 4.05Å; F643-Y693 HydrophobicContact CZ-CE2 4.17Å; F643-Y693 AromaticContact CZ-CZ 3.91Å; I678-Y693 HydrophobicContact CB-CE2 3.89Å; I678-Y693 HydrophobicContact CD1-CE2 4.28Å; I678-Y693 HydrophobicContact CG1-CE2 4.13Å; I678-Y693 PolarHBondContact N-OH 3.25Å; I678-Y693 VanDerWaalsContact N-OH 3.13Å; Y693-V707 HydrophobicContact CD2-CG1 4.25Å; Y693-V707 HydrophobicContact CE2-CG1 3.68Å; Y693-F708 WeakPolarHBondContact CA-O 3.26Å; Y693-F708 WeakPolarHBondContact CD2-O 3.44Å
694	G	98.4	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.3	-178.4	-169	0	0	0	0	0	113.9	L437 V707 F708	L437-G694 WeakPolarHBondContact O-CA 3.32Å; G694-V707 CarbonylContact O-C 3.58Å; G694-V707 WeakPolarHBondContact O-CA 3.48Å; G694-F708 PolarHBondContact N-O 3.16Å; G694-F708 PolarHBondContact O-N 3.1Å
695	C	98.6	Very high	95.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	155.1	177.2	74.4	0	0	0	0	112.1	L437 F643 T646 P706 V707	L437-C695 PolarHBondContact N-O 2.9Å; L437-C695 PolarHBondContact O-N 3.11Å; L437-C695 VanDerWaalsContact O-N 3.1Å; F643-C695 HydrophobicContact CD2-CB 3.95Å; F643-C695 HydrophobicContact CE2-CB 4.44Å; T646-C695 HydrophobicContact CG2-CB 4.11Å; C695-P706 CarbonylContact C-O 3.54Å; C695-P706 WeakPolarHBondContact CA-O 3.37Å; C695-P706 WeakPolarHBondContact CB-O 3.44Å; C695-V707 HydrophobicContact CB-CG2 4.1Å
696	T	97.8	Very high	96.1	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	13%	0.129	C	C	.	.			trans	-83.4	150.4	175.3	69	0	0	0	0	112.1	W431 I699 S705 P706 F708	W431-T696 HydrophobicContact CB-CG2 3.87Å; T696-I699 HydrophobicContact CG2-CD1 4.23Å; T696-S705 WeakPolarHBondContact O-CB 3.36Å; T696-S705 PolarHBondContact O-OG 2.74Å; T696-P706 HydrophobicContact CG2-CB 4.39Å; T696-P706 PolarHBondContact N-O 2.77Å; T696-P706 VanDerWaalsContact OG1-CD 3.3Å; T696-P706 WeakPolarHBondContact OG1-CD 3.28Å; T696-P706 WeakPolarHBondContact OG1-CG 3.19Å; T696-F708 HydrophobicContact CG2-CD1 4.15Å; T696-F708 HydrophobicContact CG2-CE1 4.16Å
697	D	96.4	Very high	96.3	Very high	76 Å²	76	21.6 Å²	21.6	41%	0.406	12%	0.118	S	C	.	.	S	Bend	trans	-113.7	-8.2	-179.1	49	-0.2	0	0	0	113.8	G436 L437 R654	G436-D697 WeakPolarHBondContact CA-OD1 3.45Å; L437-D697 HydrophobicContact CD1-CB 4.35Å; L437-D697 HydrophobicContact CG-CB 4.25Å; R654-D697 WeakPolarHBondContact CG-O 3.46Å
698	D	95.6	Very high	96.6	Very high	95 Å²	95	19.4 Å²	19.4	51%	0.508	11%	0.108	S	C	.	.	S	Bend	trans	-101.6	-18	179.2	66.1	-19.7	0	0	0	114.6	S430 V700	S430-D698 WeakPolarHBondContact CB-OD1 3.4Å; S430-D698 VanDerWaalsContact CB-OD2 3.23Å; S430-D698 WeakPolarHBondContact CB-OD2 3.13Å; S430-D698 PolarHBondContact OG-OD1 3.42Å; S430-D698 PolarHBondContact OG-OD2 3.2Å; S430-D698 VanDerWaalsContact OG-OD2 3.1Å; D698-V700 PolarHBondContact O-N 2.86Å
699	I	96.2	Very high	96.8	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.015	10%	0.099	C	C	.	.			trans	-88.7	100.3	178.5	-66.8	163.9	0	0	0	109.8	W417 P425 V428 S430 W431 R654 T696 P706	W417-I699 HydrophobicContact CH2-CG2 3.85Å; W417-I699 HydrophobicContact CZ2-CG2 3.61Å; P425-I699 HydrophobicContact CG-CG1 4.48Å; P425-I699 HydrophobicContact CG-CG2 4.12Å; V428-I699 HydrophobicContact CB-CD1 3.96Å; V428-I699 HydrophobicContact CG1-CD1 4.02Å; S430-I699 WeakPolarHBondContact OG-CD1 3.46Å; W431-I699 HydrophobicContact CB-CD1 3.92Å; R654-I699 PolarHBondContact NH1-O 3.15Å; T696-I699 HydrophobicContact CG2-CD1 4.23Å; I699-P706 HydrophobicContact CB-CG 3.84Å; I699-P706 HydrophobicContact CD1-CG 3.86Å; I699-P706 HydrophobicContact CG1-CG 4.46Å; I699-P706 HydrophobicContact CG2-CG 3.55Å
700	V	96.2	Very high	97	Very high	40 Å²	40	15.1 Å²	15.1	24%	0.242	8%	0.084	C	C	.	.			trans	-112.1	5.5	-167.2	-62.5	0	0	0	0	116	G652 R654 D698	G652-V700 PolarHBondContact N-O 3.35Å; R654-V700 HydrophobicContact CG-CG1 4Å; D698-V700 PolarHBondContact O-N 2.86Å
701	T	95.3	Very high	97.1	Very high	43 Å²	43	14.8 Å²	14.8	26%	0.264	8%	0.081	S	C	.	.	S	Bend	trans	-69.9	-35.2	-175.3	55.2	0	0	0	0	113.4	W417 V422 P425 R651	W417-T701 WeakPolarHBondContact CZ2-OG1 3.41Å; V422-T701 WeakPolarHBondContact CG2-O 3.44Å; P425-T701 HydrophobicContact CB-CG2 3.95Å; P425-T701 HydrophobicContact CG-CG2 4.34Å; R651-T701 VanDerWaalsContact CD-O 3.32Å; R651-T701 WeakPolarHBondContact CD-O 3.33Å; R651-T701 WeakPolarHBondContact CG-O 3.21Å
702	S	96.6	Very high	97.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	-95.6	156.4	177.4	-179.6	0	0	0	0	111.6	N418 G420 R654 H704	N418-S702 VanDerWaalsContact O-CB 3.31Å; N418-S702 WeakPolarHBondContact O-CB 3.36Å; N418-S702 PolarHBondContact O-OG 2.99Å; G420-S702 PolarHBondContact N-OG 2.77Å; R654-S702 PolarHBondContact NH1-O 2.66Å; R654-S702 VanDerWaalsContact NH1-O 3.13Å; R654-S702 PolarHBondContact NH2-O 3.3Å; S702-H704 WeakPolarHBondContact CB-O 3.23Å; S702-H704 PolarHBondContact O-N 2.84Å; S702-H704 PolarHBondContact OG-N 2.96Å; S702-H704 VanDerWaalsContact OG-N 3.09Å
703	D	96.4	Very high	97.2	Very high	13 Å²	13	14.8 Å²	14.8	7%	0.07	8%	0.081	C	C	.	.	S	Bend	trans	-75.7	3.4	166.3	47.4	-39.7	0	0	0	113.3	R648 Y649 R651	R648-D703 WeakPolarHBondContact CA-O 3.5Å; R648-D703 HydrophobicContact CG-CB 3.97Å; R648-D703 IonicContact CZ-OD2 3.17Å; R648-D703 IonicContact NE-OD2 2.73Å; R648-D703 PolarHBondContact NE-OD2 3.33Å; R648-D703 IonicContact NH2-OD2 3.68Å; R648-D703 PolarHBondContact NH2-OD2 3.24Å; Y649-D703 PolarHBondContact N-O 3.42Å; Y649-D703 WeakPolarHBondContact O-CB 3.46Å; R651-D703 HydrophobicContact CG-CB 4.24Å; R651-D703 IonicContact CZ-OD1 3Å; R651-D703 VanDerWaalsContact CZ-OD1 3.22Å; R651-D703 IonicContact NE-OD1 2.66Å; R651-D703 PolarHBondContact NE-OD1 2.96Å; R651-D703 IonicContact NH2-OD1 3.72Å; R651-D703 PolarHBondContact NH2-OD1 2.9Å
704	H	98.2	Very high	96.8	Very high	7 Å²	7	15 Å²	15	3%	0.032	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-111.1	146.3	160.4	-64.4	-122.6	0	0	0	111.4	W417 N418 D593 T646 Y647 R654 D676 S702	W417-H704 PolarHBondContact NE1-O 3Å; N418-H704 HydrophobicContact CB-CB 4.11Å; N418-H704 PolarHBondContact ND2-NE2 3.19Å; D593-H704 IonicContact OD2-CE1 3.21Å; D593-H704 PolarHBondContact OD2-CE1 2.88Å; D593-H704 VanDerWaalsContact OD2-CE1 3.3Å; D593-H704 IonicContact OD2-NE2 3.79Å; T646-H704 WeakPolarHBondContact O-CA 3.35Å; Y647-H704 AromaticContact CD2-CD2 3.59Å; Y647-H704 AromaticContact CD2-CE1 3.5Å; Y647-H704 VanDerWaalsContact CD2-CE1 3.5Å; Y647-H704 WeakPolarHBondContact CD2-CE1 3.38Å; Y647-H704 AromaticContact CD2-ND1 3.97Å; Y647-H704 AromaticContact CD2-NE2 3.2Å; Y647-H704 WeakPolarHBondContact CD2-NE2 3.36Å; Y647-H704 AromaticContact CE2-NE2 3.49Å; Y647-H704 WeakPolarHBondContact CE2-NE2 3.35Å; R654-H704 PolarHBondContact NH1-O 3.32Å; D676-H704 IonicContact OD1-CG 3.41Å; D676-H704 IonicContact OD1-ND1 2.92Å; D676-H704 PolarHBondContact OD1-ND1 3.42Å; D676-H704 IonicContact OD2-CE1 3.44Å; D676-H704 IonicContact OD2-CG 2.73Å; D676-H704 IonicContact OD2-ND1 2.67Å; D676-H704 PolarHBondContact OD2-ND1 3.17Å; S702-H704 WeakPolarHBondContact CB-O 3.23Å; S702-H704 PolarHBondContact O-N 2.84Å; S702-H704 PolarHBondContact OG-N 2.96Å; S702-H704 VanDerWaalsContact OG-N 3.09Å
705	S	98.4	Very high	96.4	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.007	9%	0.086	C	C	.	.			trans	-87.3	137.3	164.4	-89.2	0	0	0	0	111.9	T646 R654 T696 V707	T646-S705 PolarHBondContact O-N 3.21Å; R654-S705 WeakPolarHBondContact CD-OG 3.38Å; R654-S705 PolarHBondContact NH1-OG 2.94Å; T696-S705 WeakPolarHBondContact O-CB 3.36Å; T696-S705 PolarHBondContact O-OG 2.74Å; S705-V707 PolarHBondContact O-N 3.17Å
706	P	98.6	Very high	95.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.094	C	C	.	.			trans	-54.8	135	169.8	-19.1	24.5	0	0	0	112.8	W417 W431 C695 T696 I699	W417-P706 HydrophobicContact CB-CB 4.02Å; W417-P706 HydrophobicContact CB-CG 4.38Å; W417-P706 HydrophobicContact CD2-CB 4.29Å; W417-P706 HydrophobicContact CD2-CG 3.69Å; W417-P706 HydrophobicContact CE3-CG 4.3Å; W417-P706 HydrophobicContact CG-CB 3.86Å; W417-P706 HydrophobicContact CG-CG 3.69Å; W417-P706 HydrophobicContact CZ2-CG 4.47Å; W431-P706 HydrophobicContact CB-CB 4.35Å; W431-P706 HydrophobicContact CD2-CB 3.94Å; W431-P706 HydrophobicContact CG-CB 3.74Å; C695-P706 CarbonylContact C-O 3.54Å; C695-P706 WeakPolarHBondContact CA-O 3.37Å; C695-P706 WeakPolarHBondContact CB-O 3.44Å; T696-P706 HydrophobicContact CG2-CB 4.39Å; T696-P706 PolarHBondContact N-O 2.77Å; T696-P706 VanDerWaalsContact OG1-CD 3.3Å; T696-P706 WeakPolarHBondContact OG1-CD 3.28Å; T696-P706 WeakPolarHBondContact OG1-CG 3.19Å; I699-P706 HydrophobicContact CB-CG 3.84Å; I699-P706 HydrophobicContact CD1-CG 3.86Å; I699-P706 HydrophobicContact CG1-CG 4.46Å; I699-P706 HydrophobicContact CG2-CG 3.55Å
707	V	98.9	Very high	94.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.9	173.7	171.1	0	0	0	0	109.8	G415 T416 W431 F643 T646 D676 I678 Y693 G694 C695 S705	G415-V707 CarbonylContact C-O 3.58Å; G415-V707 VanDerWaalsContact CA-O 3.28Å; G415-V707 WeakPolarHBondContact CA-O 3.27Å; T416-V707 HydrophobicContact CG2-CB 3.86Å; T416-V707 HydrophobicContact CG2-CG1 4.22Å; T416-V707 PolarHBondContact N-O 3.09Å; T416-V707 PolarHBondContact O-N 3.05Å; W431-V707 PolarHBondContact NE1-O 2.84Å; F643-V707 HydrophobicContact CE2-CG2 4.26Å; T646-V707 HydrophobicContact CG2-CG2 3.47Å; T646-V707 VanDerWaalsContact CG2-CG2 3.47Å; D676-V707 HydrophobicContact CB-CB 4.36Å; D676-V707 HydrophobicContact CB-CG2 3.68Å; I678-V707 HydrophobicContact CD1-CG1 3.98Å; I678-V707 HydrophobicContact CG1-CG1 4.22Å; Y693-V707 HydrophobicContact CD2-CG1 4.25Å; Y693-V707 HydrophobicContact CE2-CG1 3.68Å; G694-V707 CarbonylContact O-C 3.58Å; G694-V707 WeakPolarHBondContact O-CA 3.48Å; C695-V707 HydrophobicContact CB-CG2 4.1Å; S705-V707 PolarHBondContact O-N 3.17Å
708	F	98.8	Very high	93.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148	175.4	54.3	-99.7	0	0	0	110.9	F413 I414 C434 R435 T440 Y693 G694 T696	F413-F708 HydrophobicContact CE2-CB 3.76Å; F413-F708 HydrophobicContact CZ-CB 4.14Å; I414-F708 CarbonylContact O-C 3.58Å; I414-F708 WeakPolarHBondContact O-CA 3.25Å; C434-F708 VanDerWaalsContact C-CZ 3.47Å; C434-F708 HydrophobicContact CB-CD2 3.49Å; C434-F708 VanDerWaalsContact CB-CD2 3.49Å; C434-F708 HydrophobicContact CB-CE2 3.7Å; C434-F708 HydrophobicContact CB-CG 4Å; C434-F708 HydrophobicContact CB-CZ 4.34Å; C434-F708 WeakPolarHBondContact O-CZ 3.12Å; R435-F708 WeakPolarHBondContact O-CE1 3.28Å; T440-F708 HydrophobicContact CG2-CZ 4.08Å; Y693-F708 WeakPolarHBondContact CA-O 3.26Å; Y693-F708 WeakPolarHBondContact CD2-O 3.44Å; G694-F708 PolarHBondContact N-O 3.16Å; G694-F708 PolarHBondContact O-N 3.1Å; T696-F708 HydrophobicContact CG2-CD1 4.15Å; T696-F708 HydrophobicContact CG2-CE1 4.16Å
709	G	98.4	Very high	92.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	140.6	167.5	0	0	0	0	0	109.9	I414 S692	I414-G709 PolarHBondContact N-O 3.04Å; I414-G709 PolarHBondContact O-N 2.93Å; I414-G709 VanDerWaalsContact O-O 3.11Å; S692-G709 CarbonylContact O-C 3.57Å; S692-G709 WeakPolarHBondContact O-CA 3.28Å
710	T	98	Very high	90.5	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.5	174.1	61.5	0	0	0	0	110.9	I412 F413 C434 H450 C690 N691 S692	I412-T710 CarbonylContact O-C 3.56Å; I412-T710 WeakPolarHBondContact O-CA 3.46Å; F413-T710 HydrophobicContact CB-CG2 4.38Å; F413-T710 HydrophobicContact CD2-CG2 3.97Å; C434-T710 WeakPolarHBondContact SG-CG2 3.36Å; H450-T710 WeakPolarHBondContact NE2-CG2 3.14Å; C690-T710 CarbonylContact C-O 3.54Å; N691-T710 PolarHBondContact N-O 2.79Å; S692-T710 WeakPolarHBondContact CB-OG1 3.31Å; S692-T710 PolarHBondContact N-O 3.31Å; S692-T710 PolarHBondContact N-OG1 2.72Å; S692-T710 PolarHBondContact O-N 2.72Å; S692-T710 WeakPolarHBondContact OG-CB 3.22Å; S692-T710 WeakPolarHBondContact OG-CG2 3.39Å; S692-T710 PolarHBondContact OG-N 2.97Å; S692-T710 PolarHBondContact OG-OG1 2.57Å
711	F	97.4	Very high	88.5	Confident	2 Å²	2	22.6 Å²	22.6	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.7	-176.2	-59.8	-87.6	0	0	0	110	S411 I412 I414 F589 I678 W680 I688 V689 C690 V713	S411-F711 CarbonylContact C-O 3.58Å; S411-F711 VanDerWaalsContact CA-O 3.26Å; S411-F711 WeakPolarHBondContact CA-O 3.07Å; S411-F711 PolarHBondContact OG-O 2.98Å; I412-F711 PolarHBondContact N-O 3.18Å; I412-F711 PolarHBondContact O-N 2.9Å; I414-F711 HydrophobicContact CB-CE2 4.44Å; I414-F711 HydrophobicContact CD1-CD2 3.89Å; I414-F711 HydrophobicContact CD1-CE2 3.8Å; I414-F711 HydrophobicContact CG1-CD2 4.16Å; I414-F711 HydrophobicContact CG1-CE2 4.2Å; F589-F711 HydrophobicContact CD1-CD2 4.28Å; F589-F711 HydrophobicContact CD1-CE2 4.14Å; F589-F711 HydrophobicContact CD1-CZ 4.37Å; F589-F711 HydrophobicContact CE1-CB 4.35Å; F589-F711 AromaticContact CE1-CD1 3.88Å; F589-F711 HydrophobicContact CE1-CD1 3.88Å; F589-F711 AromaticContact CE1-CD2 3.64Å; F589-F711 HydrophobicContact CE1-CD2 3.64Å; F589-F711 HydrophobicContact CE1-CE1 4.08Å; F589-F711 AromaticContact CE1-CE2 3.87Å; F589-F711 HydrophobicContact CE1-CE2 3.87Å; F589-F711 AromaticContact CE1-CG 3.66Å; F589-F711 HydrophobicContact CE1-CG 3.66Å; F589-F711 HydrophobicContact CE1-CZ 4.08Å; F589-F711 HydrophobicContact CZ-CB 4.35Å; F589-F711 HydrophobicContact CZ-CD2 4.33Å; F589-F711 HydrophobicContact CZ-CG 4.14Å; I678-F711 HydrophobicContact CG2-CE2 4.16Å; I678-F711 HydrophobicContact CG2-CZ 4.2Å; W680-F711 AromaticContact CD2-CE1 3.73Å; W680-F711 HydrophobicContact CD2-CE1 3.73Å; W680-F711 HydrophobicContact CD2-CZ 4.32Å; W680-F711 AromaticContact CE3-CE1 3.49Å; W680-F711 HydrophobicContact CE3-CE1 3.49Å; W680-F711 VanDerWaalsContact CE3-CE1 3.49Å; W680-F711 AromaticContact CE3-CZ 3.73Å; W680-F711 HydrophobicContact CE3-CZ 3.73Å; W680-F711 HydrophobicContact CG-CE1 4.39Å; W680-F711 HydrophobicContact CH2-CE1 4.14Å; W680-F711 HydrophobicContact CZ2-CE1 4.33Å; W680-F711 AromaticContact CZ3-CE1 3.7Å; W680-F711 HydrophobicContact CZ3-CE1 3.7Å; W680-F711 HydrophobicContact CZ3-CZ 4.01Å; I688-F711 HydrophobicContact CD1-CD1 4.23Å; I688-F711 HydrophobicContact CG1-CD1 4.26Å; V689-F711 CarbonylContact O-C 3.54Å; V689-F711 WeakPolarHBondContact O-CA 3.46Å; C690-F711 HydrophobicContact CB-CD1 4Å; C690-F711 HydrophobicContact CB-CE1 3.74Å; F711-V713 HydrophobicContact CB-CG2 3.87Å
712	E	92.3	Very high	86.6	Confident	26 Å²	26	30.9 Å²	30.9	12%	0.121	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.6	162.7	176.7	-167.6	101.2	0	0	106.5	M409 H687 I688 V689 N691	M409-E712 VanDerWaalsContact CE-CD 3.5Å; M409-E712 HydrophobicContact CE-CG 3.52Å; M409-E712 WeakPolarHBondContact CE-OE1 3.35Å; M409-E712 HydrophobicContact CG-CG 3.85Å; M409-E712 VanDerWaalsContact SD-CD 3.57Å; M409-E712 HydrophobicContact SD-CG 3.47Å; M409-E712 WeakPolarHBondContact SD-CG 3.42Å; H687-E712 IonicContact CD2-OE1 3.85Å; H687-E712 IonicContact CE1-OE1 3.91Å; H687-E712 IonicContact NE2-OE1 3.71Å; H687-E712 PolarHBondContact NE2-OE1 3.25Å; I688-E712 CarbonylContact C-O 3.58Å; I688-E712 WeakPolarHBondContact CA-O 3.3Å; V689-E712 HydrophobicContact CB-CB 4.46Å; V689-E712 PolarHBondContact N-O 3.04Å; V689-E712 PolarHBondContact O-N 3.36Å; N691-E712 WeakPolarHBondContact ND2-CB 3.48Å
713	V	95.4	Very high	84.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	128.6	-168.3	-172.6	0	0	0	0	109.2	M409 I410 I412 F541 H587 F589 H687 I688 F711	M409-V713 CarbonylContact C-O 3.57Å; M409-V713 VanDerWaalsContact CA-O 3.29Å; M409-V713 WeakPolarHBondContact CA-O 3.33Å; I410-V713 PolarHBondContact N-O 2.87Å; I410-V713 PolarHBondContact O-N 3.49Å; I412-V713 HydrophobicContact CD1-CB 4.4Å; I412-V713 HydrophobicContact CD1-CG2 3.91Å; I412-V713 HydrophobicContact CG1-CG2 4.27Å; F541-V713 HydrophobicContact CE1-CG1 3.95Å; F541-V713 HydrophobicContact CZ-CG1 3.89Å; H587-V713 VanDerWaalsContact CD2-CG1 3.41Å; H587-V713 WeakPolarHBondContact CD2-CG1 3.32Å; H587-V713 VanDerWaalsContact NE2-CG1 3.31Å; H587-V713 WeakPolarHBondContact NE2-CG1 3.47Å; F589-V713 HydrophobicContact CZ-CG2 4.29Å; H687-V713 WeakPolarHBondContact O-CA 3.11Å; I688-V713 HydrophobicContact CD1-CG2 4.18Å; I688-V713 HydrophobicContact CG1-CG2 4.24Å; F711-V713 HydrophobicContact CB-CG2 3.87Å
714	G	91	Very high	82.6	Confident	8 Å²	8	38.8 Å²	38.8	8%	0.082	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	136.2	172.5	0	0	0	0	0	110.6	D408 H687	D408-G714 WeakPolarHBondContact O-CA 3.44Å; H687-G714 PolarHBondContact O-N 2.77Å
715	V	90.6	Very high	80.6	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.03	24%	0.242	C	C	.	.			trans	-127.7	159	177.6	-70.8	0	0	0	0	111.2	P407 D408 I410 F536 T539 F541	P407-V715 WeakPolarHBondContact O-CG2 3.44Å; D408-V715 CarbonylContact C-O 3.58Å; D408-V715 PolarHBondContact O-N 3Å; I410-V715 HydrophobicContact CD1-CG1 3.83Å; I410-V715 HydrophobicContact CG1-CG1 3.83Å; I410-V715 HydrophobicContact CG2-CG2 4.08Å; F536-V715 HydrophobicContact CD1-CB 4.3Å; F536-V715 HydrophobicContact CD1-CG1 4.22Å; F536-V715 HydrophobicContact CD1-CG2 4.33Å; F536-V715 HydrophobicContact CE1-CG2 4.19Å; T539-V715 HydrophobicContact CG2-CG1 4.17Å; T539-V715 WeakPolarHBondContact OG1-CA 3.42Å; F541-V715 HydrophobicContact CE2-CG1 3.92Å; F541-V715 HydrophobicContact CZ-CG1 3.88Å
716	T	86.9	Confident	78.6	Confident	28 Å²	28	46.8 Å²	46.8	17%	0.172	25%	0.248	C	C	.	.			trans	-114.2	141	-170.5	59	0	0	0	0	110.7	N537 G538 T539 D804	N537-T716 WeakPolarHBondContact CB-O 3.23Å; G538-T716 VanDerWaalsContact CA-OG1 3.28Å; G538-T716 WeakPolarHBondContact CA-OG1 3.29Å; G538-T716 PolarHBondContact N-O 2.9Å; G538-T716 PolarHBondContact O-OG1 2.95Å; G538-T716 VanDerWaalsContact O-OG1 3.13Å; T539-T716 PolarHBondContact N-OG1 2.89Å; T539-T716 PolarHBondContact OG1-N 2.68Å; T539-T716 PolarHBondContact OG1-OG1 3.03Å; T716-D804 HydrophobicContact CG2-CB 3.72Å
717	S	77.9	Confident	76.7	Confident	42 Å²	42	54 Å²	54	29%	0.294	28%	0.279	S	S	.	.			trans	-67.2	153.8	-177.6	178.3	0	0	0	0	112.8	E406 F719	E406-S717 WeakPolarHBondContact OE2-CA 3.36Å; E406-S717 WeakPolarHBondContact OE2-CB 3.46Å; E406-S717 PolarHBondContact OE2-OG 3.34Å; S717-F719 PolarHBondContact O-N 3.36Å
718	Q	69.1	Low	74.8	Confident	98 Å²	98	59.5 Å²	59.5	46%	0.458	32%	0.318	S	S	.	.			trans	-73.1	77.2	165.4	-63.9	-169.4	45.5	0	0	109.3	E406 N537 V720	E406-Q718 PolarHBondContact OE2-N 2.95Å; E406-Q718 VanDerWaalsContact OE2-N 3.13Å; N537-Q718 HydrophobicContact CB-CG 3.68Å; N537-Q718 PolarHBondContact OD1-NE2 2.69Å; Q718-V720 PolarHBondContact O-N 2.98Å
719	F	65.3	Low	72.8	Confident	61 Å²	61	64.6 Å²	64.6	27%	0.268	35%	0.354	S	S	.	.			trans	-68.4	115.9	-165.3	-159	-70.7	0	0	0	112.5	S717 L796 E798 E800 Y801	S717-F719 PolarHBondContact O-N 3.36Å; F719-L796 HydrophobicContact CB-CD1 4.27Å; F719-L796 HydrophobicContact CD1-CD1 3.71Å; F719-L796 HydrophobicContact CE1-CD1 4.5Å; F719-L796 HydrophobicContact CG-CD1 4.33Å; F719-E798 HydrophobicContact CE1-CB 4.07Å; F719-E798 HydrophobicContact CE1-CG 3.93Å; F719-E798 HydrophobicContact CZ-CB 3.75Å; F719-E798 HydrophobicContact CZ-CG 3.87Å; F719-E800 HydrophobicContact CE2-CB 4.15Å; F719-Y801 HydrophobicContact CB-CD2 3.67Å; F719-Y801 HydrophobicContact CB-CE2 4.31Å; F719-Y801 HydrophobicContact CB-CG 4.49Å; F719-Y801 HydrophobicContact CD2-CD2 4.43Å; F719-Y801 AromaticContact CG-CD2 4Å; F719-Y801 HydrophobicContact CG-CD2 4Å; F719-Y801 HydrophobicContact CG-CG 4.37Å
720	V	60.1	Low	71.3	Confident	119 Å²	119	68 Å²	68	72%	0.721	37%	0.37	S	S	*	.			trans	-109.8	129.4	172.6	-177.2	0	0	0	0	109.9	Q718 K722	Q718-V720 PolarHBondContact O-N 2.98Å; V720-K722 PolarHBondContact O-N 3.35Å; V720-K722 VanDerWaalsContact O-N 3.14Å
721	S	56	Low	70.6	Confident	21 Å²	21	70.2 Å²	70.2	15%	0.147	38%	0.38	C	S	.	.			trans	-63.7	114.1	179.5	175.6	0	0	0	0	112.2	K723 G724	S721-K723 PolarHBondContact O-N 3.09Å; S721-K723 VanDerWaalsContact O-N 3.13Å; S721-K723 PolarHBondContact OG-N 3.5Å; S721-G724 WeakPolarHBondContact CB-O 3.23Å; S721-G724 PolarHBondContact O-N 3.17Å; S721-G724 PolarHBondContact OG-N 3.08Å; S721-G724 PolarHBondContact OG-O 2.84Å
722	K	54.9	Low	70.2	Confident	217 Å²	217	70.1 Å²	70.1	94%	0.943	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-8.9	171.5	-62.7	179.2	-179.1	175.2	0	113.8	V720	V720-K722 PolarHBondContact O-N 3.35Å; V720-K722 VanDerWaalsContact O-N 3.14Å
723	K	55.5	Low	70.2	Confident	138 Å²	138	72.5 Å²	72.5	60%	0.6	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	4.9	178.1	-70.4	-175.3	175.1	-178.5	0	113.4	S721	S721-K723 PolarHBondContact O-N 3.09Å; S721-K723 VanDerWaalsContact O-N 3.13Å; S721-K723 PolarHBondContact OG-N 3.5Å
724	G	53.2	Low	70.2	Confident	40 Å²	40	72.5 Å²	72.5	41%	0.412	39%	0.388	S	S	.	.			trans	72.7	-169.6	-171.2	0	0	0	0	0	113.3	S721	S721-G724 WeakPolarHBondContact CB-O 3.23Å; S721-G724 PolarHBondContact O-N 3.17Å; S721-G724 PolarHBondContact OG-N 3.08Å; S721-G724 PolarHBondContact OG-O 2.84Å
725	L	56	Low	70.4	Confident	156 Å²	156	74 Å²	74	82%	0.817	39%	0.393	S	S	*	.	S	Bend	trans	-70.8	132.5	179.8	-161	72.3	0	0	0	110.4
726	P	56.4	Low	70.7	Confident	21 Å²	21	74.2 Å²	74.2	14%	0.136	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-65.7	146.4	-177.3	26.2	-34.5	0	0	0	112.6	Q731	P726-Q731 HydrophobicContact CG-CG 4.23Å
727	K	59.1	Low	71.2	Confident	150 Å²	150	76.7 Å²	76.7	65%	0.652	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-67	150.2	164.5	-66.3	174.2	-175.4	167.6	0	109.2	S729 E730	K727-S729 PolarHBondContact O-N 3.1Å; K727-E730 PolarHBondContact O-N 3.47Å
728	S	58.9	Low	72.1	Confident	116 Å²	116	77.5 Å²	77.5	81%	0.811	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.8	-173.1	54.1	0	0	0	0	115.4
729	S	56	Low	73.5	Confident	108 Å²	108	73 Å²	73	76%	0.755	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-9.1	173.9	54.4	0	0	0	0	114.7	K727	K727-S729 PolarHBondContact O-N 3.1Å
730	E	68	Low	75.1	Confident	70 Å²	70	72.1 Å²	72.1	33%	0.327	39%	0.385	S	S	.	.	S	Bend	trans	-117.8	7.6	-174.5	-62.4	173.3	-142.3	0	0	113.1	K727 P861 R864	K727-E730 PolarHBondContact O-N 3.47Å; E730-P861 WeakPolarHBondContact O-CG 3.17Å; E730-R864 IonicContact OE2-NH2 3.52Å; E730-R864 PolarHBondContact OE2-NH2 3.36Å
731	Q	81.8	Confident	76.9	Confident	49 Å²	49	66.5 Å²	66.5	23%	0.229	35%	0.35	C	S	.	.			trans	-79.9	137.5	-178.3	-157.9	178.6	8.4	0	0	110.8	P726 Y733 P794 S797	P726-Q731 HydrophobicContact CG-CG 4.23Å; Q731-Y733 WeakPolarHBondContact O-CD1 3.4Å; Q731-P794 PolarHBondContact NE2-O 2.97Å; Q731-S797 WeakPolarHBondContact CA-OG 3.24Å
732	A	89	Confident	78.8	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.352	C	S	.	.			trans	-68.1	159.9	165.5	0	0	0	0	0	110.8	P794 S797 L802 R859	A732-P794 WeakPolarHBondContact O-CD 3.33Å; A732-S797 PolarHBondContact N-OG 3.31Å; A732-L802 HydrophobicContact CB-CD1 3.67Å; A732-R859 VanDerWaalsContact CA-O 3.31Å; A732-R859 WeakPolarHBondContact CA-O 3.49Å; A732-R859 WeakPolarHBondContact CB-O 3.48Å
733	Y	92.4	Very high	80.8	Confident	76 Å²	76	56.9 Å²	56.9	30%	0.298	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	160.7	177.8	47.6	-101.7	0	0	0	112.8	Q731 E735 T791 L792 V858 R859	Q731-Y733 WeakPolarHBondContact O-CD1 3.4Å; Y733-E735 HydrophobicContact CD2-CG 4Å; Y733-E735 HydrophobicContact CE2-CG 4.19Å; Y733-E735 WeakPolarHBondContact CE2-OE1 3.45Å; Y733-T791 HydrophobicContact CD2-CG2 4.31Å; Y733-T791 HydrophobicContact CG-CG2 4.39Å; Y733-L792 CarbonylContact C-O 3.59Å; Y733-L792 VanDerWaalsContact CA-O 3.3Å; Y733-L792 WeakPolarHBondContact CA-O 3.33Å; Y733-L792 WeakPolarHBondContact CB-O 3.38Å; Y733-V858 WeakPolarHBondContact O-CA 3.28Å; Y733-R859 HydrophobicContact CD2-CB 4.14Å; Y733-R859 HydrophobicContact CE2-CB 3.75Å; Y733-R859 HydrophobicContact CE2-CG 4.37Å; Y733-R859 PolarHBondContact N-O 3.07Å; Y733-R859 PolarHBondContact O-N 2.91Å; Y733-R859 WeakPolarHBondContact OH-CD 3.26Å; Y733-R859 PolarHBondContact OH-NH1 3.28Å
734	I	95.9	Very high	82.6	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116.4	-177.7	-42.5	-179.3	0	0	0	108.3	F736 T791 L792 P794 L807 L827 M856 R857 V858	I734-F736 HydrophobicContact CG2-CE2 4.29Å; I734-F736 HydrophobicContact CG2-CZ 4.46Å; I734-T791 WeakPolarHBondContact O-CA 3.12Å; I734-L792 HydrophobicContact CB-CB 4.03Å; I734-L792 HydrophobicContact CB-CD1 4.47Å; I734-L792 HydrophobicContact CB-CG 4.44Å; I734-L792 HydrophobicContact CD1-CB 4.32Å; I734-L792 HydrophobicContact CD1-CD1 4.33Å; I734-L792 HydrophobicContact CG1-CB 4.31Å; I734-L792 PolarHBondContact N-O 3.37Å; I734-L792 PolarHBondContact O-N 3.38Å; I734-P794 HydrophobicContact CD1-CG 4.09Å; I734-P794 HydrophobicContact CG1-CG 4.01Å; I734-L807 HydrophobicContact CD1-CD1 4.03Å; I734-L807 HydrophobicContact CD1-CD2 4.02Å; I734-L807 HydrophobicContact CD1-CG 4.4Å; I734-L807 HydrophobicContact CG2-CD1 4.39Å; I734-L827 HydrophobicContact CD1-CD1 3.6Å; I734-L827 HydrophobicContact CD1-CD2 4.15Å; I734-M856 HydrophobicContact CG2-CE 3.45Å; I734-M856 VanDerWaalsContact CG2-CE 3.45Å; I734-R857 WeakPolarHBondContact CA-O 3.25Å; I734-V858 HydrophobicContact CD1-CG2 4.48Å; I734-V858 HydrophobicContact CG1-CG1 4.36Å; I734-V858 HydrophobicContact CG1-CG2 4.15Å; I734-V858 HydrophobicContact CG2-CG2 4.19Å
735	E	95.5	Very high	84.5	Confident	38 Å²	38	53.6 Å²	53.6	18%	0.178	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.1	176.4	-71.5	173	-174.2	0	0	109.5	Y733 T791 M856 R857 R859	Y733-E735 HydrophobicContact CD2-CG 4Å; Y733-E735 HydrophobicContact CE2-CG 4.19Å; Y733-E735 WeakPolarHBondContact CE2-OE1 3.45Å; E735-T791 HydrophobicContact CG-CG2 4.06Å; E735-M856 CarbonylContact O-C 3.58Å; E735-M856 VanDerWaalsContact O-CA 3.28Å; E735-M856 WeakPolarHBondContact O-CA 3.24Å; E735-R857 HydrophobicContact CB-CG 4.07Å; E735-R857 PolarHBondContact N-O 3.09Å; E735-R857 PolarHBondContact O-N 3Å; E735-R857 IonicContact OE2-CZ 2.94Å; E735-R857 IonicContact OE2-NE 3.2Å; E735-R857 PolarHBondContact OE2-NE 3.04Å; E735-R857 IonicContact OE2-NH2 2.78Å; E735-R857 PolarHBondContact OE2-NH2 2.94Å; E735-R859 IonicContact OE1-CZ 3.21Å; E735-R859 IonicContact OE1-NH1 3.1Å; E735-R859 PolarHBondContact OE1-NH1 3.43Å; E735-R859 IonicContact OE1-NH2 2.75Å; E735-R859 IonicContact OE2-CZ 2.78Å; E735-R859 IonicContact OE2-NH1 3.57Å; E735-R859 IonicContact OE2-NH2 2.77Å; E735-R859 PolarHBondContact OE2-NH2 2.85Å
736	F	97.4	Very high	86	Confident	11 Å²	11	50.2 Å²	50.2	5%	0.048	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136.6	168.1	-61.3	-92.7	0	0	0	109.4	I734 I739 F755 L789 L792 L807 F838 S855 M856	I734-F736 HydrophobicContact CG2-CE2 4.29Å; I734-F736 HydrophobicContact CG2-CZ 4.46Å; F736-I739 HydrophobicContact CD1-CD1 3.71Å; F736-I739 HydrophobicContact CD1-CG1 4.08Å; F736-I739 HydrophobicContact CE1-CD1 4.03Å; F736-I739 HydrophobicContact CG-CD1 4.15Å; F736-F755 HydrophobicContact CD2-CE1 4.34Å; F736-F755 HydrophobicContact CE1-CE1 4.28Å; F736-F755 HydrophobicContact CE2-CD1 4.02Å; F736-F755 AromaticContact CE2-CE1 3.62Å; F736-F755 HydrophobicContact CE2-CE1 3.62Å; F736-F755 HydrophobicContact CE2-CZ 4.21Å; F736-F755 AromaticContact CZ-CD1 3.96Å; F736-F755 HydrophobicContact CZ-CD1 3.96Å; F736-F755 AromaticContact CZ-CE1 3.58Å; F736-F755 HydrophobicContact CZ-CE1 3.58Å; F736-L789 HydrophobicContact CB-CB 4.19Å; F736-L789 HydrophobicContact CB-CD1 3.68Å; F736-L789 HydrophobicContact CB-CG 4.48Å; F736-L792 HydrophobicContact CE2-CD1 3.91Å; F736-L792 HydrophobicContact CE2-CG 4.25Å; F736-L792 HydrophobicContact CZ-CD1 4.45Å; F736-L807 HydrophobicContact CZ-CD1 3.87Å; F736-F838 HydrophobicContact CD1-CE1 4.09Å; F736-F838 HydrophobicContact CE1-CE1 4.04Å; F736-F838 HydrophobicContact CE1-CZ 4.44Å; F736-S855 WeakPolarHBondContact CA-O 3.22Å; F736-M856 HydrophobicContact CD1-CB 3.53Å; F736-M856 HydrophobicContact CD1-CE 4.48Å; F736-M856 HydrophobicContact CD1-SD 4.38Å; F736-M856 HydrophobicContact CE1-CB 3.84Å; F736-M856 HydrophobicContact CE1-CE 3.68Å; F736-M856 HydrophobicContact CE1-CG 4.4Å; F736-M856 HydrophobicContact CE1-SD 3.72Å; F736-M856 HydrophobicContact CG-CB 4.23Å; F736-M856 HydrophobicContact CZ-CE 3.79Å; F736-M856 HydrophobicContact CZ-SD 4.39Å
737	E	96.3	Very high	87.4	Confident	80 Å²	80	51.5 Å²	51.5	37%	0.374	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-35.7	177.1	-55.4	-175.7	134.4	0	0	111.9	N786 A835 S855 R857	E737-N786 WeakPolarHBondContact O-CB 3.41Å; E737-N786 PolarHBondContact O-N 3.5Å; E737-N786 VanDerWaalsContact O-N 3.13Å; E737-A835 VanDerWaalsContact CD-CB 3.45Å; E737-A835 HydrophobicContact CG-CB 4.11Å; E737-A835 VanDerWaalsContact OE2-CB 3.23Å; E737-A835 WeakPolarHBondContact OE2-CB 3.3Å; E737-S855 PolarHBondContact N-O 3.13Å; E737-S855 PolarHBondContact OE2-OG 3.1Å; E737-R857 IonicContact OE1-CZ 2.83Å; E737-R857 IonicContact OE1-NH1 3.75Å; E737-R857 PolarHBondContact OE1-NH1 3.31Å; E737-R857 IonicContact OE1-NH2 3.21Å
738	S	97.1	Very high	88.7	Confident	58 Å²	58	52.8 Å²	52.8	41%	0.406	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	152.9	171.9	59	0	0	0	0	110.4	W784 G854 S855	S738-W784 WeakPolarHBondContact CA-O 3.21Å; S738-G854 CarbonylContact O-C 3.49Å; S738-G854 WeakPolarHBondContact O-CA 3.42Å; S738-S855 PolarHBondContact O-N 3.12Å
739	I	98.4	Very high	90.3	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.015	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	141.6	167	-62.7	-179.4	0	0	0	108.1	F736 I753 F755 G783 W784 L789 F838 I852 R853	F736-I739 HydrophobicContact CD1-CD1 3.71Å; F736-I739 HydrophobicContact CD1-CG1 4.08Å; F736-I739 HydrophobicContact CE1-CD1 4.03Å; F736-I739 HydrophobicContact CG-CD1 4.15Å; I739-I753 HydrophobicContact CB-CD1 4.24Å; I739-I753 HydrophobicContact CD1-CD1 3.84Å; I739-I753 HydrophobicContact CG2-CD1 3.73Å; I739-F755 HydrophobicContact CD1-CE1 4.17Å; I739-F755 HydrophobicContact CD1-CZ 4.16Å; I739-G783 CarbonylContact O-C 3.48Å; I739-G783 VanDerWaalsContact O-CA 3.3Å; I739-G783 WeakPolarHBondContact O-CA 3.38Å; I739-W784 HydrophobicContact CB-CE3 4.22Å; I739-W784 HydrophobicContact CG2-CE3 4.02Å; I739-W784 HydrophobicContact CG2-CZ3 4.26Å; I739-W784 PolarHBondContact N-O 3.13Å; I739-W784 VanDerWaalsContact N-O 3.09Å; I739-W784 PolarHBondContact O-N 3.12Å; I739-L789 HydrophobicContact CB-CD1 4.24Å; I739-L789 HydrophobicContact CB-CD2 4.5Å; I739-L789 HydrophobicContact CD1-CD1 4.19Å; I739-L789 HydrophobicContact CD1-CD2 3.82Å; I739-L789 HydrophobicContact CG1-CD1 3.81Å; I739-L789 HydrophobicContact CG1-CD2 4.23Å; I739-F838 HydrophobicContact CD1-CZ 4.25Å; I739-F838 HydrophobicContact CG1-CE1 4.5Å; I739-F838 HydrophobicContact CG1-CZ 4.05Å; I739-I852 HydrophobicContact CG2-CD1 3.74Å; I739-I852 HydrophobicContact CG2-CG1 3.71Å; I739-R853 CarbonylContact C-O 3.52Å; I739-R853 WeakPolarHBondContact CA-O 3.47Å
740	E	98.1	Very high	92.2	Very high	44 Å²	44	45.7 Å²	45.7	21%	0.206	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133	171.1	-174.7	-164.1	150	0	0	108.8	R781 V782 I852 R853	E740-R781 HydrophobicContact CG-CG 4.04Å; E740-R781 VanDerWaalsContact OE1-CD 3.25Å; E740-R781 WeakPolarHBondContact OE1-CD 3.47Å; E740-R781 WeakPolarHBondContact OE1-CG 3.43Å; E740-R781 IonicContact OE1-CZ 2.74Å; E740-R781 IonicContact OE1-NE 2.64Å; E740-R781 IonicContact OE1-NH1 2.69Å; E740-R781 PolarHBondContact OE1-NH1 3.35Å; E740-V782 CarbonylContact C-O 3.55Å; E740-V782 WeakPolarHBondContact CA-O 3.4Å; E740-I852 CarbonylContact O-C 3.58Å; E740-I852 WeakPolarHBondContact O-CA 3.19Å; E740-R853 HydrophobicContact CB-CG 4.06Å; E740-R853 PolarHBondContact N-O 3.01Å; E740-R853 PolarHBondContact O-N 3.23Å; E740-R853 VanDerWaalsContact O-O 3.14Å; E740-R853 IonicContact OE1-CZ 3.55Å; E740-R853 IonicContact OE1-NE 3.9Å; E740-R853 IonicContact OE1-NH2 3.19Å; E740-R853 PolarHBondContact OE1-NH2 3Å; E740-R853 IonicContact OE2-CZ 2.87Å; E740-R853 IonicContact OE2-NE 3.14Å; E740-R853 PolarHBondContact OE2-NE 3.01Å; E740-R853 IonicContact OE2-NH2 2.67Å; E740-R853 PolarHBondContact OE2-NH2 3Å
741	A	97.9	Very high	93.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145	173.1	0	0	0	0	0	111	V743 R781 V782 W784 L842 N851 I852	A741-V743 HydrophobicContact CB-CG2 4.09Å; A741-R781 CarbonylContact O-C 3.56Å; A741-R781 WeakPolarHBondContact O-CA 3.08Å; A741-V782 HydrophobicContact CB-CG2 4.02Å; A741-V782 PolarHBondContact N-O 3.07Å; A741-V782 PolarHBondContact O-N 3.04Å; A741-W784 HydrophobicContact CB-CH2 4.3Å; A741-W784 HydrophobicContact CB-CZ3 3.95Å; A741-L842 HydrophobicContact CB-CD1 4.27Å; A741-N851 CarbonylContact C-O 3.57Å; A741-N851 WeakPolarHBondContact CA-O 3.45Å; A741-I852 HydrophobicContact CB-CB 4.24Å; A741-I852 HydrophobicContact CB-CD1 4.37Å; A741-I852 HydrophobicContact CB-CG1 4.05Å
742	I	96.9	Very high	94.4	Very high	37 Å²	37	40.7 Å²	40.7	19%	0.19	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.4	165.1	-55.6	177.2	0	0	0	106.2	F779 R781 G850 N851	I742-F779 HydrophobicContact CG2-CB 4.1Å; I742-F779 HydrophobicContact CG2-CD1 4.04Å; I742-F779 HydrophobicContact CG2-CG 4.43Å; I742-R781 HydrophobicContact CG1-CG 4.46Å; I742-G850 WeakPolarHBondContact O-CA 3.26Å; I742-N851 PolarHBondContact N-O 2.97Å; I742-N851 PolarHBondContact O-N 3.04Å
743	V	96.5	Very high	94.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.3	-172.1	-178.5	0	0	0	0	110	A741 T745 F751 F779 L780 V782 V811 Y820 L842	A741-V743 HydrophobicContact CB-CG2 4.09Å; V743-T745 HydrophobicContact CG1-CG2 4.35Å; V743-T745 PolarHBondContact O-N 3.33Å; V743-T745 VanDerWaalsContact O-N 3.14Å; V743-F751 HydrophobicContact CG1-CE1 4.3Å; V743-F751 HydrophobicContact CG1-CZ 4.35Å; V743-F779 CarbonylContact O-C 3.57Å; V743-F779 VanDerWaalsContact O-CA 3.31Å; V743-F779 WeakPolarHBondContact O-CA 3.22Å; V743-L780 PolarHBondContact N-O 3.33Å; V743-L780 PolarHBondContact O-N 2.93Å; V743-V782 HydrophobicContact CG2-CG2 4.29Å; V743-V811 HydrophobicContact CG2-CG1 4.23Å; V743-Y820 HydrophobicContact CG1-CD1 4.02Å; V743-Y820 HydrophobicContact CG1-CG 4.14Å; V743-L842 HydrophobicContact CG2-CD1 4.25Å
744	K	94.3	Very high	95.1	Very high	93 Å²	93	37.8 Å²	37.8	40%	0.404	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	100.5	173.2	-178.5	-173.3	175.2	-169.5	0	109.3	N778 F779 E847 T849	K744-N778 WeakPolarHBondContact CA-O 3.21Å; K744-F779 HydrophobicContact CB-CD1 4.07Å; K744-F779 HydrophobicContact CB-CE1 3.72Å; K744-F779 HydrophobicContact CB-CZ 4.42Å; K744-F779 HydrophobicContact CG-CE1 4.2Å; K744-F779 HydrophobicContact CG-CZ 4.42Å; K744-E847 IonicContact NZ-OE2 2.73Å; K744-E847 PolarHBondContact NZ-OE2 3.29Å; K744-T849 WeakPolarHBondContact CB-O 3.35Å; K744-T849 PolarHBondContact N-O 2.66Å
745	T	92.3	Very high	95.1	Very high	16 Å²	16	37.8 Å²	37.8	10%	0.098	20%	0.196	C	C	.	.			trans	-159.6	147.6	178.3	-175.7	0	0	0	0	110.8	V743 S747 F751 N778 L780 Y820	V743-T745 HydrophobicContact CG1-CG2 4.35Å; V743-T745 PolarHBondContact O-N 3.33Å; V743-T745 VanDerWaalsContact O-N 3.14Å; T745-S747 WeakPolarHBondContact CG2-O 3.32Å; T745-S747 PolarHBondContact OG1-N 3.47Å; T745-F751 HydrophobicContact CG2-CZ 4.21Å; T745-N778 PolarHBondContact N-O 3.15Å; T745-N778 CarbonylContact O-C 3.44Å; T745-L780 HydrophobicContact CG2-CB 3.77Å; T745-Y820 WeakPolarHBondContact OG1-CE1 3.23Å
746	A	88.8	Confident	95.1	Very high	85 Å²	85	36.8 Å²	36.8	70%	0.702	19%	0.19	S	C	*	.	S	Bend	trans	-91.7	-10.3	167.6	0	0	0	0	0	112.4
747	S	84.9	Confident	94.9	Very high	47 Å²	47	37.3 Å²	37.3	33%	0.329	20%	0.196	S	C	.	.			trans	-84.3	146.1	176.9	-175.8	0	0	0	0	111.2	T745 T749	T745-S747 WeakPolarHBondContact CG2-O 3.32Å; T745-S747 PolarHBondContact OG1-N 3.47Å; S747-T749 VanDerWaalsContact C-N 3.33Å; S747-T749 WeakPolarHBondContact OG-CB 3.47Å; S747-T749 PolarHBondContact OG-N 3.47Å
748	R	86.2	Confident	94.4	Very high	177 Å²	177	38.1 Å²	38.1	67%	0.668	21%	0.206	S	C	*	.			trans	-100	25.2	174.2	-68	-177.4	168.5	179.2	-5.1	112.7	Q772 S774 L780	R748-Q772 PolarHBondContact O-NE2 3.3Å; R748-Q772 VanDerWaalsContact O-NE2 3.08Å; R748-S774 PolarHBondContact NH2-OG 2.87Å; R748-L780 HydrophobicContact CG-CD1 4.4Å
749	T	92.6	Very high	94	Very high	20 Å²	20	35.4 Å²	35.4	12%	0.123	19%	0.187	C	C	.	.			trans	-62.6	167	-179.4	-164.9	0	0	0	0	113.4	S747 F751 D815	S747-T749 VanDerWaalsContact C-N 3.33Å; S747-T749 WeakPolarHBondContact OG-CB 3.47Å; S747-T749 PolarHBondContact OG-N 3.47Å; T749-F751 HydrophobicContact CG2-CD2 4.25Å; T749-F751 HydrophobicContact CG2-CE1 4.35Å; T749-F751 HydrophobicContact CG2-CE2 3.5Å; T749-F751 HydrophobicContact CG2-CZ 3.57Å; T749-F751 WeakPolarHBondContact O-CD2 3.18Å; T749-F751 WeakPolarHBondContact O-CE2 3.15Å; T749-D815 WeakPolarHBondContact CB-OD2 3.44Å; T749-D815 PolarHBondContact OG1-OD2 3.25Å
750	K	96.2	Very high	93.5	Very high	56 Å²	56	35.9 Å²	35.9	24%	0.243	19%	0.19	C	C	.	.			trans	-84.8	150.8	173.8	-75	-66.6	-169	-174.2	0	110.7	E768 N769 S813 V814	K750-E768 HydrophobicContact CB-CB 4.32Å; K750-E768 HydrophobicContact CD-CB 4.43Å; K750-E768 WeakPolarHBondContact CE-OE1 3.39Å; K750-E768 IonicContact NZ-OE1 3.53Å; K750-N769 WeakPolarHBondContact CA-OD1 3.41Å; K750-N769 VanDerWaalsContact CD-OD1 3.26Å; K750-N769 WeakPolarHBondContact CD-OD1 3.39Å; K750-N769 PolarHBondContact NZ-O 3.37Å; K750-S813 CarbonylContact O-C 3.55Å; K750-S813 WeakPolarHBondContact O-CA 3.49Å; K750-V814 HydrophobicContact CB-CB 3.97Å; K750-V814 HydrophobicContact CB-CG2 3.7Å; K750-V814 PolarHBondContact O-N 3.03Å
751	F	97.8	Very high	92.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.5	-177.6	-69.2	-92.3	0	0	0	111.8	V743 T745 T749 E768 N769 L780 V782 W784 V811 K812 Y820	V743-F751 HydrophobicContact CG1-CE1 4.3Å; V743-F751 HydrophobicContact CG1-CZ 4.35Å; T745-F751 HydrophobicContact CG2-CZ 4.21Å; T749-F751 HydrophobicContact CG2-CD2 4.25Å; T749-F751 HydrophobicContact CG2-CE1 4.35Å; T749-F751 HydrophobicContact CG2-CE2 3.5Å; T749-F751 HydrophobicContact CG2-CZ 3.57Å; T749-F751 WeakPolarHBondContact O-CD2 3.18Å; T749-F751 WeakPolarHBondContact O-CE2 3.15Å; F751-E768 CarbonylContact O-C 3.54Å; F751-E768 WeakPolarHBondContact O-CA 3.34Å; F751-N769 PolarHBondContact N-OD1 3.28Å; F751-N769 PolarHBondContact O-N 2.92Å; F751-N769 PolarHBondContact O-OD1 2.92Å; F751-L780 HydrophobicContact CD2-CD2 4.23Å; F751-L780 HydrophobicContact CE2-CD2 3.77Å; F751-V782 HydrophobicContact CD2-CG1 3.99Å; F751-W784 HydrophobicContact CB-CH2 4.27Å; F751-W784 HydrophobicContact CB-CZ2 3.8Å; F751-W784 WeakPolarHBondContact O-CZ2 3.44Å; F751-W784 PolarHBondContact O-NE1 3.33Å; F751-W784 VanDerWaalsContact O-NE1 3.14Å; F751-V811 HydrophobicContact CB-CG1 4.19Å; F751-V811 HydrophobicContact CD1-CG1 3.88Å; F751-V811 HydrophobicContact CG-CG1 4.35Å; F751-K812 CarbonylContact C-O 3.57Å; F751-K812 WeakPolarHBondContact CA-O 3.45Å; F751-K812 WeakPolarHBondContact CD1-O 3.4Å; F751-Y820 HydrophobicContact CE1-CD1 4.17Å; F751-Y820 AromaticContact CE1-CD2 3.66Å; F751-Y820 HydrophobicContact CE1-CD2 3.66Å; F751-Y820 HydrophobicContact CE1-CE2 4.14Å; F751-Y820 AromaticContact CE1-CG 3.68Å; F751-Y820 HydrophobicContact CE1-CG 3.68Å; F751-Y820 HydrophobicContact CZ-CD1 4.31Å; F751-Y820 HydrophobicContact CZ-CD2 4.42Å; F751-Y820 HydrophobicContact CZ-CE1 4.47Å; F751-Y820 HydrophobicContact CZ-CG 4.28Å
752	F	97.9	Very high	92.2	Very high	13 Å²	13	47.5 Å²	47.5	6%	0.057	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	165.3	168.8	68.6	-80.2	0	0	0	110	E754 K765 K812 V814 Y817	F752-E754 HydrophobicContact CD2-CG 4.16Å; F752-E754 HydrophobicContact CE2-CG 3.72Å; F752-K765 HydrophobicContact CD2-CB 4.3Å; F752-K812 HydrophobicContact CD1-CB 4.22Å; F752-K812 WeakPolarHBondContact CD1-O 3.39Å; F752-K812 HydrophobicContact CE1-CB 3.68Å; F752-K812 HydrophobicContact CE2-CB 4.12Å; F752-K812 HydrophobicContact CE2-CD 4.31Å; F752-K812 HydrophobicContact CZ-CB 3.62Å; F752-K812 HydrophobicContact CZ-CD 4.04Å; F752-K812 HydrophobicContact CZ-CG 4.47Å; F752-K812 PolarHBondContact N-O 3.25Å; F752-K812 PolarHBondContact O-N 2.62Å; F752-V814 HydrophobicContact CD1-CG2 3.88Å; F752-Y817 HydrophobicContact CE1-CD1 4.05Å; F752-Y817 HydrophobicContact CE1-CE1 4.11Å; F752-Y817 AromaticContact CZ-CD1 3.64Å; F752-Y817 HydrophobicContact CZ-CD1 3.64Å; F752-Y817 AromaticContact CZ-CE1 3.83Å; F752-Y817 HydrophobicContact CZ-CE1 3.83Å; F752-Y817 HydrophobicContact CZ-CG 4.49Å
753	I	98.2	Very high	92	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134	-179.8	-54.2	175.1	0	0	0	108.2	I739 F755 K765 S766 W784 L789 L809 T810 V811 I852	I739-I753 HydrophobicContact CB-CD1 4.24Å; I739-I753 HydrophobicContact CD1-CD1 3.84Å; I739-I753 HydrophobicContact CG2-CD1 3.73Å; I753-F755 HydrophobicContact CB-CE2 4.02Å; I753-F755 HydrophobicContact CB-CZ 3.95Å; I753-F755 HydrophobicContact CD1-CZ 4.49Å; I753-F755 HydrophobicContact CG2-CD1 4.29Å; I753-F755 HydrophobicContact CG2-CD2 4.35Å; I753-F755 HydrophobicContact CG2-CE1 3.84Å; I753-F755 HydrophobicContact CG2-CE2 3.89Å; I753-F755 HydrophobicContact CG2-CZ 3.61Å; I753-K765 CarbonylContact O-C 3.57Å; I753-K765 VanDerWaalsContact O-CA 3.27Å; I753-K765 WeakPolarHBondContact O-CA 3.24Å; I753-S766 PolarHBondContact N-OG 3.44Å; I753-S766 PolarHBondContact O-N 3.15Å; I753-W784 HydrophobicContact CD1-CD2 3.9Å; I753-W784 HydrophobicContact CD1-CE3 3.8Å; I753-W784 HydrophobicContact CD1-CH2 4.02Å; I753-W784 HydrophobicContact CD1-CZ2 4.11Å; I753-W784 HydrophobicContact CD1-CZ3 3.88Å; I753-W784 HydrophobicContact CG1-CD2 4.29Å; I753-W784 HydrophobicContact CG1-CE3 4.47Å; I753-W784 HydrophobicContact CG1-CH2 3.92Å; I753-W784 HydrophobicContact CG1-CZ2 3.71Å; I753-W784 HydrophobicContact CG1-CZ3 4.3Å; I753-L789 HydrophobicContact CD1-CD2 4.47Å; I753-L809 HydrophobicContact CG2-CB 4.23Å; I753-L809 HydrophobicContact CG2-CD2 4.15Å; I753-L809 HydrophobicContact CG2-CG 4Å; I753-T810 WeakPolarHBondContact CA-O 3.48Å; I753-V811 HydrophobicContact CG1-CG2 4.49Å; I753-I852 HydrophobicContact CD1-CD1 4.47Å
754	E	97.3	Very high	91.9	Very high	15 Å²	15	53.2 Å²	53.2	7%	0.07	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	140	163.9	-65.1	171.4	163.6	0	0	110.6	F752 Y756 F763 K764 K765 L809 T810 K812	F752-E754 HydrophobicContact CD2-CG 4.16Å; F752-E754 HydrophobicContact CE2-CG 3.72Å; E754-Y756 HydrophobicContact CB-CD2 4.15Å; E754-Y756 HydrophobicContact CB-CE2 3.6Å; E754-Y756 PolarHBondContact OE2-OH 2.92Å; E754-F763 HydrophobicContact CB-CD2 4.3Å; E754-F763 HydrophobicContact CG-CD2 4.27Å; E754-F763 HydrophobicContact CG-CE2 4.25Å; E754-K764 CarbonylContact C-O 3.44Å; E754-K764 WeakPolarHBondContact CA-O 3.48Å; E754-K765 HydrophobicContact CG-CB 4.2Å; E754-L809 WeakPolarHBondContact O-CA 3.13Å; E754-T810 HydrophobicContact CB-CG2 3.8Å; E754-T810 PolarHBondContact N-O 3.25Å; E754-T810 PolarHBondContact O-N 3.4Å; E754-T810 VanDerWaalsContact O-N 3.1Å; E754-K812 IonicContact OE1-NZ 2.69Å; E754-K812 WeakPolarHBondContact OE2-CD 3.39Å; E754-K812 VanDerWaalsContact OE2-CE 3.26Å; E754-K812 WeakPolarHBondContact OE2-CE 3.48Å; E754-K812 IonicContact OE2-NZ 2.93Å; E754-K812 PolarHBondContact OE2-NZ 2.93Å
755	F	96.8	Very high	92	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	113.6	-176.8	-55.4	-91.5	0	0	0	109	F736 I739 I753 F763 K764 L789 L792 L809	F736-F755 HydrophobicContact CD2-CE1 4.34Å; F736-F755 HydrophobicContact CE1-CE1 4.28Å; F736-F755 HydrophobicContact CE2-CD1 4.02Å; F736-F755 AromaticContact CE2-CE1 3.62Å; F736-F755 HydrophobicContact CE2-CE1 3.62Å; F736-F755 HydrophobicContact CE2-CZ 4.21Å; F736-F755 AromaticContact CZ-CD1 3.96Å; F736-F755 HydrophobicContact CZ-CD1 3.96Å; F736-F755 AromaticContact CZ-CE1 3.58Å; F736-F755 HydrophobicContact CZ-CE1 3.58Å; I739-F755 HydrophobicContact CD1-CE1 4.17Å; I739-F755 HydrophobicContact CD1-CZ 4.16Å; I753-F755 HydrophobicContact CB-CE2 4.02Å; I753-F755 HydrophobicContact CB-CZ 3.95Å; I753-F755 HydrophobicContact CD1-CZ 4.49Å; I753-F755 HydrophobicContact CG2-CD1 4.29Å; I753-F755 HydrophobicContact CG2-CD2 4.35Å; I753-F755 HydrophobicContact CG2-CE1 3.84Å; I753-F755 HydrophobicContact CG2-CE2 3.89Å; I753-F755 HydrophobicContact CG2-CZ 3.61Å; F755-F763 WeakPolarHBondContact O-CA 3.41Å; F755-F763 WeakPolarHBondContact O-CB 3.32Å; F755-K764 PolarHBondContact N-O 3.04Å; F755-K764 PolarHBondContact O-N 3.38Å; F755-L789 HydrophobicContact CZ-CD2 4.23Å; F755-L792 HydrophobicContact CB-CD1 3.93Å; F755-L792 HydrophobicContact CB-CD2 4.06Å; F755-L792 HydrophobicContact CD1-CD1 4.15Å; F755-L792 HydrophobicContact CD2-CD2 4.26Å; F755-L792 HydrophobicContact CG-CD1 4.12Å; F755-L792 HydrophobicContact CG-CD2 4.15Å; F755-L809 HydrophobicContact CD1-CD1 3.86Å; F755-L809 HydrophobicContact CD1-CD2 4.26Å; F755-L809 HydrophobicContact CD1-CG 3.75Å; F755-L809 HydrophobicContact CE1-CD1 4.33Å; F755-L809 HydrophobicContact CE1-CD2 3.92Å; F755-L809 HydrophobicContact CE1-CG 3.91Å
756	Y	95.5	Very high	92.2	Very high	17 Å²	17	54.1 Å²	54.1	7%	0.067	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140.9	179.5	-69.4	-99.5	0	0	0	110.3	L576 F579 E754 F763 L808 T810	L576-Y756 HydrophobicContact CD2-CD1 3.78Å; L576-Y756 HydrophobicContact CD2-CG 3.99Å; F579-Y756 AromaticContact CE2-CD2 3.56Å; F579-Y756 HydrophobicContact CE2-CD2 3.56Å; F579-Y756 AromaticContact CE2-CE2 3.87Å; F579-Y756 HydrophobicContact CE2-CE2 3.87Å; F579-Y756 AromaticContact CE2-CG 3.94Å; F579-Y756 HydrophobicContact CE2-CG 3.94Å; F579-Y756 AromaticContact CZ-CD2 3.79Å; F579-Y756 HydrophobicContact CZ-CD2 3.79Å; F579-Y756 HydrophobicContact CZ-CE2 4.32Å; F579-Y756 HydrophobicContact CZ-CG 4.39Å; E754-Y756 HydrophobicContact CB-CD2 4.15Å; E754-Y756 HydrophobicContact CB-CE2 3.6Å; E754-Y756 PolarHBondContact OE2-OH 2.92Å; Y756-F763 HydrophobicContact CD1-CB 3.5Å; Y756-F763 HydrophobicContact CD1-CG 4.18Å; Y756-F763 HydrophobicContact CD2-CB 4.28Å; Y756-F763 HydrophobicContact CE1-CB 3.55Å; Y756-F763 HydrophobicContact CE1-CD1 4.04Å; Y756-F763 HydrophobicContact CE1-CD2 4.19Å; Y756-F763 AromaticContact CE1-CG 3.68Å; Y756-F763 HydrophobicContact CE1-CG 3.68Å; Y756-F763 HydrophobicContact CE2-CB 4.33Å; Y756-F763 HydrophobicContact CE2-CD2 4.24Å; Y756-F763 HydrophobicContact CE2-CG 4.45Å; Y756-F763 HydrophobicContact CG-CB 3.9Å; Y756-F763 AromaticContact CZ-CD2 3.85Å; Y756-F763 AromaticContact CZ-CG 3.84Å; Y756-L808 PolarHBondContact N-O 3.14Å; Y756-L808 PolarHBondContact O-N 3.41Å; Y756-T810 HydrophobicContact CD2-CG2 4.37Å; Y756-T810 HydrophobicContact CE2-CG2 3.91Å
757	S	92.8	Very high	92.7	Very high	22 Å²	22	57.2 Å²	57.2	15%	0.154	27%	0.265	C	S	.	.			trans	-166.1	150.4	171	-172.9	0	0	0	0	111.4	C759 L760 H806	S757-C759 PolarHBondContact O-N 2.87Å; S757-C759 VanDerWaalsContact O-N 3.16Å; S757-C759 PolarHBondContact OG-N 2.96Å; S757-C759 PolarHBondContact OG-SG 2.89Å; S757-C759 VanDerWaalsContact OG-SG 3.38Å; S757-L760 PolarHBondContact O-N 2.86Å; S757-L760 VanDerWaalsContact O-N 3.17Å; S757-H806 VanDerWaalsContact CB-O 3.26Å; S757-H806 WeakPolarHBondContact CB-O 3.26Å; S757-H806 PolarHBondContact OG-O 2.57Å
758	T	86.6	Confident	93.2	Very high	98 Å²	98	59.2 Å²	59.2	60%	0.601	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-15.6	166	45.3	0	0	0	0	113.6	Q805	T758-Q805 PolarHBondContact OG1-OE1 2.94Å; T758-Q805 VanDerWaalsContact OG1-OE1 3.13Å
759	C	88.3	Confident	93.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	1.7	177.2	86	0	0	0	0	114.7	S757 P794 L795 Y801 Q805	S757-C759 PolarHBondContact O-N 2.87Å; S757-C759 VanDerWaalsContact O-N 3.16Å; S757-C759 PolarHBondContact OG-N 2.96Å; S757-C759 PolarHBondContact OG-SG 2.89Å; S757-C759 VanDerWaalsContact OG-SG 3.38Å; C759-P794 CarbonylContact O-C 3.12Å; C759-P794 WeakPolarHBondContact O-CA 3.2Å; C759-L795 PolarHBondContact O-N 3.46Å; C759-Y801 VanDerWaalsContact CA-OH 3.29Å; C759-Y801 WeakPolarHBondContact CA-OH 3.39Å; C759-Y801 HydrophobicContact CB-CE1 3.89Å; C759-Y801 WeakPolarHBondContact CB-OH 3.34Å; C759-Q805 HydrophobicContact CB-CB 4Å; C759-Q805 HydrophobicContact CB-CG 3.62Å
760	L	88.4	Confident	94	Very high	14 Å²	14	53.2 Å²	53.2	7%	0.073	25%	0.25	C	S	.	.	S	Bend	trans	-114.9	147.5	-180	-58.4	174	0	0	0	110.1	S757 L792	S757-L760 PolarHBondContact O-N 2.86Å; S757-L760 VanDerWaalsContact O-N 3.17Å; L760-L792 HydrophobicContact CD1-CD1 4.36Å; L760-L792 HydrophobicContact CD2-CB 4.03Å
761	E	81.9	Confident	94	Very high	175 Å²	175	53.5 Å²	53.5	82%	0.818	26%	0.259	S	S	*	.	S	Bend	trans	-68.8	-36.9	176.1	-173.2	174	-161.2	0	0	112.4	L795	E761-L795 HydrophobicContact CB-CD2 3.85Å
762	E	86.5	Confident	93.8	Very high	113 Å²	113	57.1 Å²	57.1	53%	0.528	28%	0.276	S	S	.	.	S	Bend	trans	-146.2	157	174.2	59.5	173	-172.3	0	0	109.1	K764	E762-K764 HydrophobicContact CG-CD 4.4Å; E762-K764 IonicContact OE1-NZ 3.09Å; E762-K764 PolarHBondContact OE1-NZ 2.94Å
763	F	91.8	Very high	93.6	Very high	86 Å²	86	58.9 Å²	58.9	38%	0.377	29%	0.29	S	S	.	.			trans	-63.2	148.7	171.4	77.5	-81.2	0	0	0	110.7	E754 F755 Y756	E754-F763 HydrophobicContact CB-CD2 4.3Å; E754-F763 HydrophobicContact CG-CD2 4.27Å; E754-F763 HydrophobicContact CG-CE2 4.25Å; F755-F763 WeakPolarHBondContact O-CA 3.41Å; F755-F763 WeakPolarHBondContact O-CB 3.32Å; Y756-F763 HydrophobicContact CD1-CB 3.5Å; Y756-F763 HydrophobicContact CD1-CG 4.18Å; Y756-F763 HydrophobicContact CD2-CB 4.28Å; Y756-F763 HydrophobicContact CE1-CB 3.55Å; Y756-F763 HydrophobicContact CE1-CD1 4.04Å; Y756-F763 HydrophobicContact CE1-CD2 4.19Å; Y756-F763 AromaticContact CE1-CG 3.68Å; Y756-F763 HydrophobicContact CE1-CG 3.68Å; Y756-F763 HydrophobicContact CE2-CB 4.33Å; Y756-F763 HydrophobicContact CE2-CD2 4.24Å; Y756-F763 HydrophobicContact CE2-CG 4.45Å; Y756-F763 HydrophobicContact CG-CB 3.9Å; Y756-F763 AromaticContact CZ-CD2 3.85Å; Y756-F763 AromaticContact CZ-CG 3.84Å
764	K	95.1	Very high	93.1	Very high	70 Å²	70	60.9 Å²	60.9	30%	0.304	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	156.6	177.2	-58.3	-61.9	175.5	178.2	0	109.9	E754 F755 E762 L792	E754-K764 CarbonylContact C-O 3.44Å; E754-K764 WeakPolarHBondContact CA-O 3.48Å; F755-K764 PolarHBondContact N-O 3.04Å; F755-K764 PolarHBondContact O-N 3.38Å; E762-K764 HydrophobicContact CG-CD 4.4Å; E762-K764 IonicContact OE1-NZ 3.09Å; E762-K764 PolarHBondContact OE1-NZ 2.94Å; K764-L792 HydrophobicContact CB-CD2 3.64Å; K764-L792 HydrophobicContact CG-CD2 3.84Å
765	K	95.9	Very high	92.3	Very high	123 Å²	123	65.9 Å²	65.9	54%	0.535	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	152.7	173.6	64.7	-179.9	-179.4	179.4	0	111.9	F752 I753 E754 T790	F752-K765 HydrophobicContact CD2-CB 4.3Å; I753-K765 CarbonylContact O-C 3.57Å; I753-K765 VanDerWaalsContact O-CA 3.27Å; I753-K765 WeakPolarHBondContact O-CA 3.24Å; E754-K765 HydrophobicContact CG-CB 4.2Å; K765-T790 WeakPolarHBondContact O-CG2 3.47Å; K765-T790 PolarHBondContact O-OG1 2.67Å
766	S	97.7	Very high	91.6	Very high	6 Å²	6	69.8 Å²	69.8	4%	0.042	35%	0.352	C	S	.	.			trans	-77.5	171.8	161.6	74.1	0	0	0	0	110.8	I753 Q788	I753-S766 PolarHBondContact N-OG 3.44Å; I753-S766 PolarHBondContact O-N 3.15Å; S766-Q788 CarbonylContact C-O 3.58Å; S766-Q788 WeakPolarHBondContact CA-O 3.48Å; S766-Q788 VanDerWaalsContact CB-O 3.28Å; S766-Q788 WeakPolarHBondContact CB-O 3.2Å
767	Y	97.4	Very high	91	Very high	149 Å²	149	74.3 Å²	74.3	58%	0.584	38%	0.381	S	S	*	.			trans	-77.2	-179.1	155.1	-62	-82.6	0	0	0	110.2	W784 Q788	Y767-W784 PolarHBondContact O-NE1 3.49Å; Y767-Q788 VanDerWaalsContact CB-OE1 3.31Å; Y767-Q788 PolarHBondContact N-O 3.49Å
768	E	97.3	Very high	90.9	Very high	89 Å²	89	77.8 Å²	77.8	42%	0.416	40%	0.398	S	S	.	.			trans	-68.7	162.2	177.3	62	166.5	-128.2	0	0	113.3	K750 F751 D770 Q788 V814	K750-E768 HydrophobicContact CB-CB 4.32Å; K750-E768 HydrophobicContact CD-CB 4.43Å; K750-E768 WeakPolarHBondContact CE-OE1 3.39Å; K750-E768 IonicContact NZ-OE1 3.53Å; F751-E768 CarbonylContact O-C 3.54Å; F751-E768 WeakPolarHBondContact O-CA 3.34Å; E768-D770 PolarHBondContact O-N 2.96Å; E768-Q788 WeakPolarHBondContact O-CG 3.44Å; E768-V814 HydrophobicContact CB-CG2 4.24Å
769	N	97.4	Very high	91.3	Very high	0 Å²	0	76.7 Å²	76.7	0%	0	39%	0.385	C	S	.	.			trans	-67	122.6	178.7	66.2	-74.7	0	0	0	111.2	K750 F751 S771 Q772 V782 G783 W784	K750-N769 WeakPolarHBondContact CA-OD1 3.41Å; K750-N769 VanDerWaalsContact CD-OD1 3.26Å; K750-N769 WeakPolarHBondContact CD-OD1 3.39Å; K750-N769 PolarHBondContact NZ-O 3.37Å; F751-N769 PolarHBondContact N-OD1 3.28Å; F751-N769 PolarHBondContact O-N 2.92Å; F751-N769 PolarHBondContact O-OD1 2.92Å; N769-S771 VanDerWaalsContact C-N 3.31Å; N769-S771 PolarHBondContact ND2-O 3.35Å; N769-Q772 PolarHBondContact ND2-OE1 2.75Å; N769-Q772 VanDerWaalsContact ND2-OE1 3.11Å; N769-V782 HydrophobicContact CB-CB 4.06Å; N769-G783 CarbonylContact C-O 3.55Å; N769-G783 WeakPolarHBondContact CA-O 3.34Å; N769-G783 WeakPolarHBondContact CB-O 3.33Å; N769-W784 HydrophobicContact CB-CD2 4.07Å; N769-W784 HydrophobicContact CB-CG 4.35Å; N769-W784 HydrophobicContact CB-CZ2 4.06Å
770	D	96.8	Very high	91.6	Very high	72 Å²	72	77 Å²	77	39%	0.385	39%	0.386	S	S	.	.	S	Bend	trans	-83.7	-7	178.1	51.3	1.9	0	0	0	113.7	E768 G783 W784 S785 Q788	E768-D770 PolarHBondContact O-N 2.96Å; D770-G783 PolarHBondContact N-O 3.44Å; D770-G783 VanDerWaalsContact N-O 3.16Å; D770-W784 WeakPolarHBondContact OD1-CA 3.44Å; D770-S785 PolarHBondContact OD1-N 3.41Å; D770-S785 VanDerWaalsContact OD2-CB 3.27Å; D770-S785 WeakPolarHBondContact OD2-CB 3.5Å; D770-S785 PolarHBondContact OD2-OG 2.89Å; D770-Q788 HydrophobicContact CB-CG 3.98Å; D770-Q788 VanDerWaalsContact CG-CG 3.45Å; D770-Q788 VanDerWaalsContact OD2-CG 3.27Å; D770-Q788 WeakPolarHBondContact OD2-CG 3.18Å; D770-Q788 PolarHBondContact OD2-NE2 2.85Å
771	S	95.7	Very high	92	Very high	61 Å²	61	79.6 Å²	79.6	43%	0.427	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	144.8	172	58	0	0	0	0	112.1	N769 V782 G783	N769-S771 VanDerWaalsContact C-N 3.31Å; N769-S771 PolarHBondContact ND2-O 3.35Å; S771-V782 WeakPolarHBondContact O-CA 3.45Å; S771-G783 PolarHBondContact N-O 3.33Å; S771-G783 VanDerWaalsContact N-O 3.08Å; S771-G783 PolarHBondContact O-N 2.69Å; S771-G783 VanDerWaalsContact OG-C 3.3Å; S771-G783 VanDerWaalsContact OG-CA 3.23Å; S771-G783 WeakPolarHBondContact OG-CA 3.5Å; S771-G783 PolarHBondContact OG-N 2.93Å; S771-G783 PolarHBondContact OG-O 2.91Å
772	Q	94.9	Very high	92.7	Very high	76 Å²	76	71.3 Å²	71.3	36%	0.355	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	149.3	169.7	62.8	-158.5	73.3	0	0	112.6	R748 N769 R781 V782	R748-Q772 PolarHBondContact O-NE2 3.3Å; R748-Q772 VanDerWaalsContact O-NE2 3.08Å; N769-Q772 PolarHBondContact ND2-OE1 2.75Å; N769-Q772 VanDerWaalsContact ND2-OE1 3.11Å; Q772-R781 CarbonylContact C-O 3.49Å; Q772-R781 WeakPolarHBondContact CA-O 3.1Å; Q772-V782 HydrophobicContact CB-CG1 4.1Å
773	S	93.2	Very high	93.3	Very high	51 Å²	51	66.2 Å²	66.2	36%	0.357	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	156.2	175.8	48.6	0	0	0	0	110.4	R781	S773-R781 PolarHBondContact N-O 3.28Å; S773-R781 PolarHBondContact O-N 2.73Å; S773-R781 WeakPolarHBondContact OG-CD 3.47Å
774	S	87.8	Confident	93.6	Very high	42 Å²	42	62.3 Å²	62.3	29%	0.294	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	85.1	-175.1	172.1	0	0	0	0	107.8	R748 N776	R748-S774 PolarHBondContact NH2-OG 2.87Å; S774-N776 PolarHBondContact OG-O 3.48Å
775	D	81.3	Confident	93.7	Very high	120 Å²	120	60.6 Å²	60.6	64%	0.642	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	-19.6	175.8	-52.2	-43.6	0	0	0	111.4	R781	D775-R781 IonicContact OD2-CZ 2.68Å; D775-R781 IonicContact OD2-NE 2.73Å; D775-R781 PolarHBondContact OD2-NE 2.95Å; D775-R781 IonicContact OD2-NH2 2.72Å; D775-R781 PolarHBondContact OD2-NH2 3.46Å
776	N	82.1	Confident	93.6	Very high	81 Å²	81	59.7 Å²	59.7	43%	0.433	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	149	178.6	-174.2	-25.4	0	0	0	108.3	S774 N778 F779	S774-N776 PolarHBondContact OG-O 3.48Å; N776-N778 VanDerWaalsContact C-N 3.29Å; N776-N778 PolarHBondContact O-N 3.01Å; N776-N778 PolarHBondContact OD1-N 3.47Å; N776-F779 HydrophobicContact CB-CB 4.41Å; N776-F779 HydrophobicContact CB-CD2 4.5Å
777	V	81.6	Confident	93.5	Very high	112 Å²	112	67.5 Å²	67.5	68%	0.679	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-31.1	-179.3	-177.6	0	0	0	0	111.9
778	N	91.8	Very high	93.4	Very high	95 Å²	95	62.5 Å²	62.5	51%	0.508	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	2.5	-175.7	-63.9	-14.4	0	0	0	114	K744 T745 N776	K744-N778 WeakPolarHBondContact CA-O 3.21Å; T745-N778 PolarHBondContact N-O 3.15Å; T745-N778 CarbonylContact O-C 3.44Å; N776-N778 VanDerWaalsContact C-N 3.29Å; N776-N778 PolarHBondContact O-N 3.01Å; N776-N778 PolarHBondContact OD1-N 3.47Å
779	F	93.5	Very high	93.4	Very high	76 Å²	76	58.9 Å²	58.9	33%	0.333	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	124.6	-179.1	-68.7	-88.1	0	0	0	111.7	I742 V743 K744 N776	I742-F779 HydrophobicContact CG2-CB 4.1Å; I742-F779 HydrophobicContact CG2-CD1 4.04Å; I742-F779 HydrophobicContact CG2-CG 4.43Å; V743-F779 CarbonylContact O-C 3.57Å; V743-F779 VanDerWaalsContact O-CA 3.31Å; V743-F779 WeakPolarHBondContact O-CA 3.22Å; K744-F779 HydrophobicContact CB-CD1 4.07Å; K744-F779 HydrophobicContact CB-CE1 3.72Å; K744-F779 HydrophobicContact CB-CZ 4.42Å; K744-F779 HydrophobicContact CG-CE1 4.2Å; K744-F779 HydrophobicContact CG-CZ 4.42Å; N776-F779 HydrophobicContact CB-CB 4.41Å; N776-F779 HydrophobicContact CB-CD2 4.5Å
780	L	95.8	Very high	93.2	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.026	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.3	173	-166	72.2	0	0	0	109.5	V743 T745 R748 F751 V782	V743-L780 PolarHBondContact N-O 3.33Å; V743-L780 PolarHBondContact O-N 2.93Å; T745-L780 HydrophobicContact CG2-CB 3.77Å; R748-L780 HydrophobicContact CG-CD1 4.4Å; F751-L780 HydrophobicContact CD2-CD2 4.23Å; F751-L780 HydrophobicContact CE2-CD2 3.77Å; L780-V782 HydrophobicContact CD2-CG1 3.55Å; L780-V782 HydrophobicContact CG-CG1 3.81Å
781	R	96.5	Very high	93.2	Very high	69 Å²	69	61.2 Å²	61.2	26%	0.26	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119.7	167.1	-178.5	-166.9	-51.3	-74.8	-5.6	107.7	E740 A741 I742 Q772 S773 D775	E740-R781 HydrophobicContact CG-CG 4.04Å; E740-R781 VanDerWaalsContact OE1-CD 3.25Å; E740-R781 WeakPolarHBondContact OE1-CD 3.47Å; E740-R781 WeakPolarHBondContact OE1-CG 3.43Å; E740-R781 IonicContact OE1-CZ 2.74Å; E740-R781 IonicContact OE1-NE 2.64Å; E740-R781 IonicContact OE1-NH1 2.69Å; E740-R781 PolarHBondContact OE1-NH1 3.35Å; A741-R781 CarbonylContact O-C 3.56Å; A741-R781 WeakPolarHBondContact O-CA 3.08Å; I742-R781 HydrophobicContact CG1-CG 4.46Å; Q772-R781 CarbonylContact C-O 3.49Å; Q772-R781 WeakPolarHBondContact CA-O 3.1Å; S773-R781 PolarHBondContact N-O 3.28Å; S773-R781 PolarHBondContact O-N 2.73Å; S773-R781 WeakPolarHBondContact OG-CD 3.47Å; D775-R781 IonicContact OD2-CZ 2.68Å; D775-R781 IonicContact OD2-NE 2.73Å; D775-R781 PolarHBondContact OD2-NE 2.95Å; D775-R781 IonicContact OD2-NH2 2.72Å; D775-R781 PolarHBondContact OD2-NH2 3.46Å
782	V	97.4	Very high	93.2	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.012	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146.9	179.1	-68.1	0	0	0	0	110.2	E740 A741 V743 F751 N769 S771 Q772 L780 W784	E740-V782 CarbonylContact C-O 3.55Å; E740-V782 WeakPolarHBondContact CA-O 3.4Å; A741-V782 HydrophobicContact CB-CG2 4.02Å; A741-V782 PolarHBondContact N-O 3.07Å; A741-V782 PolarHBondContact O-N 3.04Å; V743-V782 HydrophobicContact CG2-CG2 4.29Å; F751-V782 HydrophobicContact CD2-CG1 3.99Å; N769-V782 HydrophobicContact CB-CB 4.06Å; S771-V782 WeakPolarHBondContact O-CA 3.45Å; Q772-V782 HydrophobicContact CB-CG1 4.1Å; L780-V782 HydrophobicContact CD2-CG1 3.55Å; L780-V782 HydrophobicContact CG-CG1 3.81Å; V782-W784 HydrophobicContact CB-CH2 4.28Å; V782-W784 HydrophobicContact CB-CZ3 4.41Å; V782-W784 HydrophobicContact CG2-CH2 3.47Å; V782-W784 VanDerWaalsContact CG2-CH2 3.47Å; V782-W784 HydrophobicContact CG2-CZ2 4.32Å; V782-W784 HydrophobicContact CG2-CZ3 3.72Å
783	G	97.4	Very high	93.1	Very high	5 Å²	5	60.9 Å²	60.9	5%	0.052	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147.4	179.7	0	0	0	0	0	113	I739 N769 D770 S771	I739-G783 CarbonylContact O-C 3.48Å; I739-G783 VanDerWaalsContact O-CA 3.3Å; I739-G783 WeakPolarHBondContact O-CA 3.38Å; N769-G783 CarbonylContact C-O 3.55Å; N769-G783 WeakPolarHBondContact CA-O 3.34Å; N769-G783 WeakPolarHBondContact CB-O 3.33Å; D770-G783 PolarHBondContact N-O 3.44Å; D770-G783 VanDerWaalsContact N-O 3.16Å; S771-G783 PolarHBondContact N-O 3.33Å; S771-G783 VanDerWaalsContact N-O 3.08Å; S771-G783 PolarHBondContact O-N 2.69Å; S771-G783 VanDerWaalsContact OG-C 3.3Å; S771-G783 VanDerWaalsContact OG-CA 3.23Å; S771-G783 WeakPolarHBondContact OG-CA 3.5Å; S771-G783 PolarHBondContact OG-N 2.93Å; S771-G783 PolarHBondContact OG-O 2.91Å
784	W	98.4	Very high	92.9	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.015	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	121.4	179.8	-62	-98.6	0	0	0	109.2	S738 I739 A741 F751 I753 Y767 N769 D770 V782 Q788 L789 V811	S738-W784 WeakPolarHBondContact CA-O 3.21Å; I739-W784 HydrophobicContact CB-CE3 4.22Å; I739-W784 HydrophobicContact CG2-CE3 4.02Å; I739-W784 HydrophobicContact CG2-CZ3 4.26Å; I739-W784 PolarHBondContact N-O 3.13Å; I739-W784 VanDerWaalsContact N-O 3.09Å; I739-W784 PolarHBondContact O-N 3.12Å; A741-W784 HydrophobicContact CB-CH2 4.3Å; A741-W784 HydrophobicContact CB-CZ3 3.95Å; F751-W784 HydrophobicContact CB-CH2 4.27Å; F751-W784 HydrophobicContact CB-CZ2 3.8Å; F751-W784 WeakPolarHBondContact O-CZ2 3.44Å; F751-W784 PolarHBondContact O-NE1 3.33Å; F751-W784 VanDerWaalsContact O-NE1 3.14Å; I753-W784 HydrophobicContact CD1-CD2 3.9Å; I753-W784 HydrophobicContact CD1-CE3 3.8Å; I753-W784 HydrophobicContact CD1-CH2 4.02Å; I753-W784 HydrophobicContact CD1-CZ2 4.11Å; I753-W784 HydrophobicContact CD1-CZ3 3.88Å; I753-W784 HydrophobicContact CG1-CD2 4.29Å; I753-W784 HydrophobicContact CG1-CE3 4.47Å; I753-W784 HydrophobicContact CG1-CH2 3.92Å; I753-W784 HydrophobicContact CG1-CZ2 3.71Å; I753-W784 HydrophobicContact CG1-CZ3 4.3Å; Y767-W784 PolarHBondContact O-NE1 3.49Å; N769-W784 HydrophobicContact CB-CD2 4.07Å; N769-W784 HydrophobicContact CB-CG 4.35Å; N769-W784 HydrophobicContact CB-CZ2 4.06Å; D770-W784 WeakPolarHBondContact OD1-CA 3.44Å; V782-W784 HydrophobicContact CB-CH2 4.28Å; V782-W784 HydrophobicContact CB-CZ3 4.41Å; V782-W784 HydrophobicContact CG2-CH2 3.47Å; V782-W784 VanDerWaalsContact CG2-CH2 3.47Å; V782-W784 HydrophobicContact CG2-CZ2 4.32Å; V782-W784 HydrophobicContact CG2-CZ3 3.72Å; W784-Q788 HydrophobicContact CB-CB 4.17Å; W784-L789 HydrophobicContact CB-CD1 4.18Å; W784-L789 HydrophobicContact CB-CD2 3.74Å; W784-L789 HydrophobicContact CB-CG 3.88Å; W784-L789 HydrophobicContact CG-CD2 4.2Å; W784-V811 HydrophobicContact CH2-CG1 4.04Å
785	S	97	Very high	92.7	Very high	34 Å²	34	59.5 Å²	59.5	24%	0.238	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	166.1	167.3	75.9	0	0	0	0	112.2	D770 K787 Q788 L789	D770-S785 PolarHBondContact OD1-N 3.41Å; D770-S785 VanDerWaalsContact OD2-CB 3.27Å; D770-S785 WeakPolarHBondContact OD2-CB 3.5Å; D770-S785 PolarHBondContact OD2-OG 2.89Å; S785-K787 PolarHBondContact O-N 3.44Å; S785-K787 PolarHBondContact OG-N 3.33Å; S785-Q788 PolarHBondContact O-N 2.78Å; S785-L789 WeakPolarHBondContact O-CG 3.26Å; S785-L789 PolarHBondContact O-N 2.92Å
786	N	94.4	Very high	92.8	Very high	104 Å²	104	55 Å²	55	56%	0.556	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-17.5	173.1	70.1	-20.2	0	0	0	115	E737	E737-N786 WeakPolarHBondContact O-CB 3.41Å; E737-N786 PolarHBondContact O-N 3.5Å; E737-N786 VanDerWaalsContact O-N 3.13Å
787	K	95.1	Very high	93	Very high	171 Å²	171	51.1 Å²	51.1	74%	0.743	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-29.8	174.4	-63.2	-177	180	-180	0	112.7	S785	S785-K787 PolarHBondContact O-N 3.44Å; S785-K787 PolarHBondContact OG-N 3.33Å
788	Q	96.6	Very high	93	Very high	43 Å²	43	47 Å²	47	20%	0.201	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-17	-179.9	-45.7	-53.8	-17.6	0	0	112.4	S766 Y767 E768 D770 W784 S785	S766-Q788 CarbonylContact C-O 3.58Å; S766-Q788 WeakPolarHBondContact CA-O 3.48Å; S766-Q788 VanDerWaalsContact CB-O 3.28Å; S766-Q788 WeakPolarHBondContact CB-O 3.2Å; Y767-Q788 VanDerWaalsContact CB-OE1 3.31Å; Y767-Q788 PolarHBondContact N-O 3.49Å; E768-Q788 WeakPolarHBondContact O-CG 3.44Å; D770-Q788 HydrophobicContact CB-CG 3.98Å; D770-Q788 VanDerWaalsContact CG-CG 3.45Å; D770-Q788 VanDerWaalsContact OD2-CG 3.27Å; D770-Q788 WeakPolarHBondContact OD2-CG 3.18Å; D770-Q788 PolarHBondContact OD2-NE2 2.85Å; W784-Q788 HydrophobicContact CB-CB 4.17Å; S785-Q788 PolarHBondContact O-N 2.78Å
789	L	96.8	Very high	92.7	Very high	14 Å²	14	43.8 Å²	43.8	7%	0.073	22%	0.216	C	C	.	.	S	Bend	trans	-97.3	129.3	-172.4	-62.6	170.3	0	0	0	110.9	F736 I739 I753 F755 W784 S785	F736-L789 HydrophobicContact CB-CB 4.19Å; F736-L789 HydrophobicContact CB-CD1 3.68Å; F736-L789 HydrophobicContact CB-CG 4.48Å; I739-L789 HydrophobicContact CB-CD1 4.24Å; I739-L789 HydrophobicContact CB-CD2 4.5Å; I739-L789 HydrophobicContact CD1-CD1 4.19Å; I739-L789 HydrophobicContact CD1-CD2 3.82Å; I739-L789 HydrophobicContact CG1-CD1 3.81Å; I739-L789 HydrophobicContact CG1-CD2 4.23Å; I753-L789 HydrophobicContact CD1-CD2 4.47Å; F755-L789 HydrophobicContact CZ-CD2 4.23Å; W784-L789 HydrophobicContact CB-CD1 4.18Å; W784-L789 HydrophobicContact CB-CD2 3.74Å; W784-L789 HydrophobicContact CB-CG 3.88Å; W784-L789 HydrophobicContact CG-CD2 4.2Å; S785-L789 WeakPolarHBondContact O-CG 3.26Å; S785-L789 PolarHBondContact O-N 2.92Å
790	T	93.8	Very high	92	Very high	42 Å²	42	43 Å²	43	26%	0.258	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-85.1	136.3	-177.9	43.3	0	0	0	0	111.7	K765 L792	K765-T790 WeakPolarHBondContact O-CG2 3.47Å; K765-T790 PolarHBondContact O-OG1 2.67Å; T790-L792 PolarHBondContact O-N 2.73Å
791	T	95.2	Very high	91.4	Very high	79 Å²	79	44 Å²	44	49%	0.485	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-72.1	118.6	174	-57.6	0	0	0	0	109.5	Y733 I734 E735	Y733-T791 HydrophobicContact CD2-CG2 4.31Å; Y733-T791 HydrophobicContact CG-CG2 4.39Å; I734-T791 WeakPolarHBondContact O-CA 3.12Å; E735-T791 HydrophobicContact CG-CG2 4.06Å
792	L	96.2	Very high	91.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-84.7	142.8	-179.6	-42.4	177.4	0	0	0	109.8	Y733 I734 F736 F755 L760 K764 T790 L807	Y733-L792 CarbonylContact C-O 3.59Å; Y733-L792 VanDerWaalsContact CA-O 3.3Å; Y733-L792 WeakPolarHBondContact CA-O 3.33Å; Y733-L792 WeakPolarHBondContact CB-O 3.38Å; I734-L792 HydrophobicContact CB-CB 4.03Å; I734-L792 HydrophobicContact CB-CD1 4.47Å; I734-L792 HydrophobicContact CB-CG 4.44Å; I734-L792 HydrophobicContact CD1-CB 4.32Å; I734-L792 HydrophobicContact CD1-CD1 4.33Å; I734-L792 HydrophobicContact CG1-CB 4.31Å; I734-L792 PolarHBondContact N-O 3.37Å; I734-L792 PolarHBondContact O-N 3.38Å; F736-L792 HydrophobicContact CE2-CD1 3.91Å; F736-L792 HydrophobicContact CE2-CG 4.25Å; F736-L792 HydrophobicContact CZ-CD1 4.45Å; F755-L792 HydrophobicContact CB-CD1 3.93Å; F755-L792 HydrophobicContact CB-CD2 4.06Å; F755-L792 HydrophobicContact CD1-CD1 4.15Å; F755-L792 HydrophobicContact CD2-CD2 4.26Å; F755-L792 HydrophobicContact CG-CD1 4.12Å; F755-L792 HydrophobicContact CG-CD2 4.15Å; L760-L792 HydrophobicContact CD1-CD1 4.36Å; L760-L792 HydrophobicContact CD2-CB 4.03Å; K764-L792 HydrophobicContact CB-CD2 3.64Å; K764-L792 HydrophobicContact CG-CD2 3.84Å; T790-L792 PolarHBondContact O-N 2.73Å; L792-L807 HydrophobicContact CD1-CD1 3.7Å; L792-L807 HydrophobicContact CD1-CD2 4.1Å
793	K	92.4	Very high	90.7	Very high	129 Å²	129	42.1 Å²	42.1	56%	0.561	21%	0.211	S	C	*	.			trans	-119.7	102.3	-179.1	-67.6	-175.5	178.9	-174.8	0	110
794	P	90.3	Very high	90.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.219	C	C	.	.			trans	-62.4	147.2	175.9	-27.2	37.3	0	0	0	113.6	Q731 A732 I734 C759 L796 L802	Q731-P794 PolarHBondContact NE2-O 2.97Å; A732-P794 WeakPolarHBondContact O-CD 3.33Å; I734-P794 HydrophobicContact CD1-CG 4.09Å; I734-P794 HydrophobicContact CG1-CG 4.01Å; C759-P794 CarbonylContact O-C 3.12Å; C759-P794 WeakPolarHBondContact O-CA 3.2Å; P794-L796 WeakPolarHBondContact CB-O 3.42Å; P794-L796 PolarHBondContact O-N 2.87Å; P794-L802 HydrophobicContact CB-CD2 3.52Å; P794-L802 HydrophobicContact CG-CD2 3.74Å
795	L	83.3	Confident	89.9	Confident	65 Å²	65	44.2 Å²	44.2	34%	0.34	22%	0.221	S	C	.	.	S	Bend	trans	-57	-37	176.4	-69.3	168.1	0	0	0	112.5	C759 E761	C759-L795 PolarHBondContact O-N 3.46Å; E761-L795 HydrophobicContact CB-CD2 3.85Å
796	L	82.7	Confident	89.9	Confident	24 Å²	24	43.4 Å²	43.4	13%	0.126	21%	0.214	C	C	.	.			trans	-124.8	154.2	-177	-61.3	175.9	0	0	0	110.1	F719 P794 Y801	F719-L796 HydrophobicContact CB-CD1 4.27Å; F719-L796 HydrophobicContact CD1-CD1 3.71Å; F719-L796 HydrophobicContact CE1-CD1 4.5Å; F719-L796 HydrophobicContact CG-CD1 4.33Å; P794-L796 WeakPolarHBondContact CB-O 3.42Å; P794-L796 PolarHBondContact O-N 2.87Å; L796-Y801 HydrophobicContact CB-CD1 3.6Å; L796-Y801 HydrophobicContact CB-CE1 3.76Å; L796-Y801 HydrophobicContact CB-CG 4.16Å; L796-Y801 HydrophobicContact CD1-CD1 4.14Å; L796-Y801 HydrophobicContact CD1-CD2 3.94Å; L796-Y801 HydrophobicContact CD1-CE1 4.14Å; L796-Y801 HydrophobicContact CD1-CE2 3.94Å; L796-Y801 HydrophobicContact CD1-CG 4.02Å; L796-Y801 HydrophobicContact CG-CD1 4.42Å; L796-Y801 HydrophobicContact CG-CE1 4.31Å
797	S	87.2	Confident	90	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.			trans	-123.5	9.5	-167.6	-59.8	0	0	0	0	113.5	Q731 A732 R864	Q731-S797 WeakPolarHBondContact CA-OG 3.24Å; A732-S797 PolarHBondContact N-OG 3.31Å; S797-R864 WeakPolarHBondContact O-CB 3.35Å
798	E	81.8	Confident	90.2	Very high	27 Å²	27	30.7 Å²	30.7	13%	0.126	15%	0.154	C	C	.	.			trans	-83.4	128.3	-179.4	-71.3	58.1	-134.8	0	0	109.7	F719 E800 Y801 L802 R864	F719-E798 HydrophobicContact CE1-CB 4.07Å; F719-E798 HydrophobicContact CE1-CG 3.93Å; F719-E798 HydrophobicContact CZ-CB 3.75Å; F719-E798 HydrophobicContact CZ-CG 3.87Å; E798-E800 PolarHBondContact O-N 3Å; E798-Y801 PolarHBondContact O-N 3.01Å; E798-Y801 VanDerWaalsContact O-N 3.09Å; E798-L802 PolarHBondContact O-N 3.32Å; E798-L802 VanDerWaalsContact O-N 3.09Å; E798-R864 WeakPolarHBondContact OE1-CD 3.45Å; E798-R864 IonicContact OE1-CZ 3.52Å; E798-R864 IonicContact OE1-NE 3.53Å; E798-R864 IonicContact OE1-NH1 2.77Å; E798-R864 PolarHBondContact OE1-NH1 3.37Å
799	I	84.9	Confident	90.2	Very high	26 Å²	26	28.7 Å²	28.7	13%	0.133	14%	0.144	C	C	.	.	H	α-helix	trans	-57.5	-37.6	-179.2	-168.3	167.8	0	0	0	111.9	Y801 L802 Q803 I831 V860 R864 G866 T867	I799-Y801 VanDerWaalsContact C-N 3.25Å; I799-Y801 PolarHBondContact O-N 3.36Å; I799-L802 PolarHBondContact O-N 2.92Å; I799-Q803 WeakPolarHBondContact O-CB 3.23Å; I799-Q803 WeakPolarHBondContact O-CG 3.21Å; I799-Q803 PolarHBondContact O-N 3.5Å; I799-I831 HydrophobicContact CD1-CG2 3.87Å; I799-I831 HydrophobicContact CG1-CD1 4.3Å; I799-I831 HydrophobicContact CG1-CG2 4.12Å; I799-V860 HydrophobicContact CB-CG1 4.35Å; I799-R864 WeakPolarHBondContact CG2-O 3.31Å; I799-R864 PolarHBondContact N-O 3.12Å; I799-G866 WeakPolarHBondContact CG2-O 3.38Å; I799-T867 HydrophobicContact CD1-CG2 4.23Å; I799-T867 HydrophobicContact CG2-CG2 3.86Å
800	E	78.6	Confident	90.3	Very high	59 Å²	59	28 Å²	28	28%	0.276	14%	0.141	S	C	.	.	H	α-helix	trans	-59.5	-31.7	178.7	-67.7	-179.4	-170.7	0	0	113.7	F719 E798 Q803 G866 R868	F719-E800 HydrophobicContact CE2-CB 4.15Å; E798-E800 PolarHBondContact O-N 3Å; E800-Q803 WeakPolarHBondContact O-CG 3.43Å; E800-Q803 PolarHBondContact O-NE2 3.41Å; E800-Q803 VanDerWaalsContact O-NE2 3.12Å; E800-G866 WeakPolarHBondContact CG-O 3.32Å; E800-R868 HydrophobicContact CG-CB 4.3Å; E800-R868 WeakPolarHBondContact OE1-CB 3.32Å; E800-R868 PolarHBondContact OE1-N 2.8Å
801	Y	83.7	Confident	90.4	Very high	28 Å²	28	26 Å²	26	11%	0.11	13%	0.128	C	C	.	.	H	α-helix	trans	-83.9	-48.4	176.1	168.5	-99.7	0	0	0	111.2	F719 C759 L796 E798 I799 Q803 D804 Q805	F719-Y801 HydrophobicContact CB-CD2 3.67Å; F719-Y801 HydrophobicContact CB-CE2 4.31Å; F719-Y801 HydrophobicContact CB-CG 4.49Å; F719-Y801 HydrophobicContact CD2-CD2 4.43Å; F719-Y801 AromaticContact CG-CD2 4Å; F719-Y801 HydrophobicContact CG-CD2 4Å; F719-Y801 HydrophobicContact CG-CG 4.37Å; C759-Y801 VanDerWaalsContact CA-OH 3.29Å; C759-Y801 WeakPolarHBondContact CA-OH 3.39Å; C759-Y801 HydrophobicContact CB-CE1 3.89Å; C759-Y801 WeakPolarHBondContact CB-OH 3.34Å; L796-Y801 HydrophobicContact CB-CD1 3.6Å; L796-Y801 HydrophobicContact CB-CE1 3.76Å; L796-Y801 HydrophobicContact CB-CG 4.16Å; L796-Y801 HydrophobicContact CD1-CD1 4.14Å; L796-Y801 HydrophobicContact CD1-CD2 3.94Å; L796-Y801 HydrophobicContact CD1-CE1 4.14Å; L796-Y801 HydrophobicContact CD1-CE2 3.94Å; L796-Y801 HydrophobicContact CD1-CG 4.02Å; L796-Y801 HydrophobicContact CG-CD1 4.42Å; L796-Y801 HydrophobicContact CG-CE1 4.31Å; E798-Y801 PolarHBondContact O-N 3.01Å; E798-Y801 VanDerWaalsContact O-N 3.09Å; I799-Y801 VanDerWaalsContact C-N 3.25Å; I799-Y801 PolarHBondContact O-N 3.36Å; Y801-Q803 VanDerWaalsContact C-N 3.34Å; Y801-Q803 PolarHBondContact O-N 3.18Å; Y801-D804 PolarHBondContact O-N 3.36Å; Y801-D804 VanDerWaalsContact O-N 3.11Å; Y801-Q805 HydrophobicContact CD1-CG 4.18Å; Y801-Q805 HydrophobicContact CE1-CG 3.83Å; Y801-Q805 HydrophobicContact CE2-CG 4.46Å; Y801-Q805 WeakPolarHBondContact O-CG 3.42Å; Y801-Q805 PolarHBondContact O-NE2 3.33Å; Y801-Q805 VanDerWaalsContact O-NE2 3.12Å; Y801-Q805 PolarHBondContact OH-OE1 2.89Å
802	L	89.1	Confident	90.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.9	-35.2	-171.9	-71.5	172.9	0	0	0	113.3	A732 P794 E798 I799 D804 Q805 L827 I831 V858 V860	A732-L802 HydrophobicContact CB-CD1 3.67Å; P794-L802 HydrophobicContact CB-CD2 3.52Å; P794-L802 HydrophobicContact CG-CD2 3.74Å; E798-L802 PolarHBondContact O-N 3.32Å; E798-L802 VanDerWaalsContact O-N 3.09Å; I799-L802 PolarHBondContact O-N 2.92Å; L802-D804 PolarHBondContact O-N 3.28Å; L802-D804 VanDerWaalsContact O-N 3.17Å; L802-Q805 PolarHBondContact O-N 3.13Å; L802-L827 WeakPolarHBondContact O-CB 3.48Å; L802-I831 HydrophobicContact CB-CD1 4.21Å; L802-V858 HydrophobicContact CD1-CG1 4.17Å; L802-V860 HydrophobicContact CD1-CG2 3.81Å
803	Q	89.1	Confident	90.5	Very high	31 Å²	31	23 Å²	23	15%	0.145	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.6	175.9	64.7	178.8	3.9	0	0	113.7	I799 E800 Y801 K828 I831 R870	I799-Q803 WeakPolarHBondContact O-CB 3.23Å; I799-Q803 WeakPolarHBondContact O-CG 3.21Å; I799-Q803 PolarHBondContact O-N 3.5Å; E800-Q803 WeakPolarHBondContact O-CG 3.43Å; E800-Q803 PolarHBondContact O-NE2 3.41Å; E800-Q803 VanDerWaalsContact O-NE2 3.12Å; Y801-Q803 VanDerWaalsContact C-N 3.34Å; Y801-Q803 PolarHBondContact O-N 3.18Å; Q803-K828 HydrophobicContact CB-CG 4.34Å; Q803-K828 VanDerWaalsContact O-CB 3.29Å; Q803-K828 WeakPolarHBondContact O-CB 3.18Å; Q803-I831 HydrophobicContact CB-CD1 3.83Å; Q803-R870 VanDerWaalsContact CG-NH2 3.28Å
804	D	88.3	Confident	90.6	Very high	38 Å²	38	19.4 Å²	19.4	20%	0.203	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	8.1	-177.8	-75.1	-52.1	0	0	0	113.1	T716 Y801 L802 R870	T716-D804 HydrophobicContact CG2-CB 3.72Å; Y801-D804 PolarHBondContact O-N 3.36Å; Y801-D804 VanDerWaalsContact O-N 3.11Å; L802-D804 PolarHBondContact O-N 3.28Å; L802-D804 VanDerWaalsContact O-N 3.17Å; D804-R870 IonicContact OD1-CZ 2.76Å; D804-R870 IonicContact OD1-NH1 3.49Å; D804-R870 PolarHBondContact OD1-NH1 2.88Å; D804-R870 IonicContact OD1-NH2 2.67Å; D804-R870 PolarHBondContact OD1-NH2 3.34Å; D804-R870 IonicContact OD2-CZ 3.41Å; D804-R870 IonicContact OD2-NH1 3.76Å; D804-R870 IonicContact OD2-NH2 3.59Å; D804-R870 PolarHBondContact OD2-NH2 3.22Å
805	Q	92.2	Very high	90.7	Very high	14 Å²	14	24.1 Å²	24.1	7%	0.065	12%	0.123	C	C	.	.			trans	-97.7	153.8	177.2	-50.9	-54.5	-61.6	0	0	111.8	T758 C759 Y801 L802 L827	T758-Q805 PolarHBondContact OG1-OE1 2.94Å; T758-Q805 VanDerWaalsContact OG1-OE1 3.13Å; C759-Q805 HydrophobicContact CB-CB 4Å; C759-Q805 HydrophobicContact CB-CG 3.62Å; Y801-Q805 HydrophobicContact CD1-CG 4.18Å; Y801-Q805 HydrophobicContact CE1-CG 3.83Å; Y801-Q805 HydrophobicContact CE2-CG 4.46Å; Y801-Q805 WeakPolarHBondContact O-CG 3.42Å; Y801-Q805 PolarHBondContact O-NE2 3.33Å; Y801-Q805 VanDerWaalsContact O-NE2 3.12Å; Y801-Q805 PolarHBondContact OH-OE1 2.89Å; L802-Q805 PolarHBondContact O-N 3.13Å; Q805-L827 HydrophobicContact CB-CD1 4.08Å; Q805-L827 WeakPolarHBondContact O-CB 3.29Å; Q805-L827 WeakPolarHBondContact O-CG 3.02Å; Q805-L827 PolarHBondContact O-N 3.34Å
806	H	96.6	Very high	90.9	Very high	18 Å²	18	23.1 Å²	23.1	8%	0.083	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.3	176.2	-60	82.1	0	0	0	110.3	Y683 P684 S757 V824 L825 A826	Y683-H806 HydrophobicContact CD2-CB 3.84Å; Y683-H806 AromaticContact CD2-CG 3.54Å; Y683-H806 AromaticContact CD2-ND1 3.57Å; Y683-H806 HydrophobicContact CE2-CB 4.23Å; P684-H806 PolarHBondContact O-NE2 2.73Å; S757-H806 VanDerWaalsContact CB-O 3.26Å; S757-H806 WeakPolarHBondContact CB-O 3.26Å; S757-H806 PolarHBondContact OG-O 2.57Å; H806-V824 HydrophobicContact CB-CG2 3.77Å; H806-L825 CarbonylContact C-O 3.54Å; H806-L825 WeakPolarHBondContact CA-O 3.2Å; H806-L825 WeakPolarHBondContact CB-O 3.39Å; H806-A826 VanDerWaalsContact CD2-CA 3.5Å; H806-A826 WeakPolarHBondContact CD2-CA 3.48Å
807	L	97.2	Very high	91.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.4	168.2	-58.9	-178	0	0	0	109	I734 F736 L792 L809 V824 L825 L827 M856	I734-L807 HydrophobicContact CD1-CD1 4.03Å; I734-L807 HydrophobicContact CD1-CD2 4.02Å; I734-L807 HydrophobicContact CD1-CG 4.4Å; I734-L807 HydrophobicContact CG2-CD1 4.39Å; F736-L807 HydrophobicContact CZ-CD1 3.87Å; L792-L807 HydrophobicContact CD1-CD1 3.7Å; L792-L807 HydrophobicContact CD1-CD2 4.1Å; L807-L809 HydrophobicContact CB-CD1 3.69Å; L807-V824 CarbonylContact O-C 3.57Å; L807-V824 WeakPolarHBondContact O-CA 3.16Å; L807-L825 PolarHBondContact N-O 2.73Å; L807-L825 PolarHBondContact O-N 2.78Å; L807-L827 HydrophobicContact CD1-CD2 4.03Å; L807-L827 HydrophobicContact CG-CD2 3.9Å; L807-L827 HydrophobicContact CG-CG 4.48Å; L807-M856 HydrophobicContact CD1-CE 3.97Å
808	L	97.6	Very high	91.6	Very high	8 Å²	8	34.2 Å²	34.2	4%	0.042	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125	168	-74.2	65.5	0	0	0	107.2	L576 F579 L583 Y683 Y756 C823 V824	L576-L808 HydrophobicContact CD1-CD2 3.81Å; L576-L808 HydrophobicContact CD2-CD2 3.92Å; L576-L808 HydrophobicContact CG-CD2 4.47Å; F579-L808 HydrophobicContact CD1-CB 4.47Å; F579-L808 HydrophobicContact CD1-CD2 4.28Å; F579-L808 HydrophobicContact CD2-CD2 4.47Å; F579-L808 HydrophobicContact CE1-CB 3.74Å; F579-L808 HydrophobicContact CE1-CD2 4.33Å; F579-L808 HydrophobicContact CE1-CG 4.43Å; F579-L808 HydrophobicContact CE2-CB 4.37Å; F579-L808 HydrophobicContact CE2-CD2 4.5Å; F579-L808 HydrophobicContact CG-CD2 4.38Å; F579-L808 HydrophobicContact CZ-CB 3.69Å; F579-L808 HydrophobicContact CZ-CD2 4.44Å; L583-L808 WeakPolarHBondContact O-CD2 3.3Å; Y683-L808 HydrophobicContact CE2-CD1 4.23Å; Y756-L808 PolarHBondContact N-O 3.14Å; Y756-L808 PolarHBondContact O-N 3.41Å; L808-C823 WeakPolarHBondContact CA-O 3.37Å; L808-V824 HydrophobicContact CD1-CG2 4.17Å
809	L	97.8	Very high	92.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	138.2	178.4	-82.7	65	0	0	0	109	I753 E754 F755 L807 E822 C823 L825 I852	I753-L809 HydrophobicContact CG2-CB 4.23Å; I753-L809 HydrophobicContact CG2-CD2 4.15Å; I753-L809 HydrophobicContact CG2-CG 4Å; E754-L809 WeakPolarHBondContact O-CA 3.13Å; F755-L809 HydrophobicContact CD1-CD1 3.86Å; F755-L809 HydrophobicContact CD1-CD2 4.26Å; F755-L809 HydrophobicContact CD1-CG 3.75Å; F755-L809 HydrophobicContact CE1-CD1 4.33Å; F755-L809 HydrophobicContact CE1-CD2 3.92Å; F755-L809 HydrophobicContact CE1-CG 3.91Å; L807-L809 HydrophobicContact CB-CD1 3.69Å; L809-E822 CarbonylContact O-C 3.52Å; L809-E822 VanDerWaalsContact O-CA 3.3Å; L809-E822 WeakPolarHBondContact O-CA 3.49Å; L809-C823 PolarHBondContact N-O 2.79Å; L809-C823 PolarHBondContact O-N 2.75Å; L809-L825 HydrophobicContact CD1-CD1 3.92Å; L809-L825 HydrophobicContact CD1-CG 4.28Å; L809-L825 HydrophobicContact CD2-CD1 3.94Å; L809-I852 HydrophobicContact CD2-CD1 4.21Å
810	T	97.5	Very high	92.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.4	169.2	174.8	0	0	0	0	109.7	F579 I753 E754 Y756 S819 G821	F579-T810 HydrophobicContact CE2-CG2 4.32Å; F579-T810 HydrophobicContact CZ-CG2 3.91Å; I753-T810 WeakPolarHBondContact CA-O 3.48Å; E754-T810 HydrophobicContact CB-CG2 3.8Å; E754-T810 PolarHBondContact N-O 3.25Å; E754-T810 PolarHBondContact O-N 3.4Å; E754-T810 VanDerWaalsContact O-N 3.1Å; Y756-T810 HydrophobicContact CD2-CG2 4.37Å; Y756-T810 HydrophobicContact CE2-CG2 3.91Å; T810-S819 VanDerWaalsContact OG1-CB 3.31Å; T810-S819 WeakPolarHBondContact OG1-CB 3.49Å; T810-S819 PolarHBondContact OG1-OG 2.89Å; T810-G821 WeakPolarHBondContact CA-O 3.35Å
811	V	97.6	Very high	93.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	111	-178.9	-177.4	0	0	0	0	108.3	V743 F751 I753 W784 Y820 G821 L842 I852	V743-V811 HydrophobicContact CG2-CG1 4.23Å; F751-V811 HydrophobicContact CB-CG1 4.19Å; F751-V811 HydrophobicContact CD1-CG1 3.88Å; F751-V811 HydrophobicContact CG-CG1 4.35Å; I753-V811 HydrophobicContact CG1-CG2 4.49Å; W784-V811 HydrophobicContact CH2-CG1 4.04Å; V811-Y820 PolarHBondContact O-N 2.92Å; V811-G821 PolarHBondContact N-O 3.07Å; V811-L842 HydrophobicContact CG2-CD1 4.24Å; V811-L842 HydrophobicContact CG2-CD2 4.08Å; V811-I852 HydrophobicContact CG2-CD1 4.18Å
812	K	96.6	Very high	94.2	Very high	17 Å²	17	30.6 Å²	30.6	7%	0.074	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	146.1	-173.4	-73.6	179.7	171.1	175.8	0	112.3	S578 F751 F752 E754 Y817 E818	S578-K812 WeakPolarHBondContact OG-CE 3.5Å; S578-K812 PolarHBondContact OG-NZ 2.92Å; F751-K812 CarbonylContact C-O 3.57Å; F751-K812 WeakPolarHBondContact CA-O 3.45Å; F751-K812 WeakPolarHBondContact CD1-O 3.4Å; F752-K812 HydrophobicContact CD1-CB 4.22Å; F752-K812 WeakPolarHBondContact CD1-O 3.39Å; F752-K812 HydrophobicContact CE1-CB 3.68Å; F752-K812 HydrophobicContact CE2-CB 4.12Å; F752-K812 HydrophobicContact CE2-CD 4.31Å; F752-K812 HydrophobicContact CZ-CB 3.62Å; F752-K812 HydrophobicContact CZ-CD 4.04Å; F752-K812 HydrophobicContact CZ-CG 4.47Å; F752-K812 PolarHBondContact N-O 3.25Å; F752-K812 PolarHBondContact O-N 2.62Å; E754-K812 IonicContact OE1-NZ 2.69Å; E754-K812 WeakPolarHBondContact OE2-CD 3.39Å; E754-K812 VanDerWaalsContact OE2-CE 3.26Å; E754-K812 WeakPolarHBondContact OE2-CE 3.48Å; E754-K812 IonicContact OE2-NZ 2.93Å; E754-K812 PolarHBondContact OE2-NZ 2.93Å; K812-Y817 WeakPolarHBondContact CD-O 3.32Å; K812-E818 VanDerWaalsContact CA-O 3.24Å; K812-E818 WeakPolarHBondContact CA-O 3.31Å
813	S	96.1	Very high	94.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	146.3	174.3	73.1	0	0	0	0	112	K750 D815 Y817 E818	K750-S813 CarbonylContact O-C 3.55Å; K750-S813 WeakPolarHBondContact O-CA 3.49Å; S813-D815 VanDerWaalsContact C-N 3.32Å; S813-D815 WeakPolarHBondContact CB-OD1 3.45Å; S813-D815 PolarHBondContact OG-OD1 3.41Å; S813-Y817 VanDerWaalsContact O-CA 3.27Å; S813-Y817 WeakPolarHBondContact O-CA 3.44Å; S813-Y817 PolarHBondContact O-N 2.87Å; S813-E818 PolarHBondContact N-O 2.97Å; S813-E818 VanDerWaalsContact N-O 3.13Å
814	V	94.8	Very high	95	Very high	53 Å²	53	30 Å²	30	32%	0.321	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-23.8	-177.5	173.4	0	0	0	0	112.4	K750 F752 E768 Y817	K750-V814 HydrophobicContact CB-CB 3.97Å; K750-V814 HydrophobicContact CB-CG2 3.7Å; K750-V814 PolarHBondContact O-N 3.03Å; F752-V814 HydrophobicContact CD1-CG2 3.88Å; E768-V814 HydrophobicContact CB-CG2 4.24Å; V814-Y817 WeakPolarHBondContact O-CE2 3.46Å
815	D	91.8	Very high	95.4	Very high	99 Å²	99	28.6 Å²	28.6	53%	0.529	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-45	-179.4	48.6	16	0	0	0	113.8	T749 S813	T749-D815 WeakPolarHBondContact CB-OD2 3.44Å; T749-D815 PolarHBondContact OG1-OD2 3.25Å; S813-D815 VanDerWaalsContact C-N 3.32Å; S813-D815 WeakPolarHBondContact CB-OD1 3.45Å; S813-D815 PolarHBondContact OG-OD1 3.41Å
816	G	88.3	Confident	95.6	Very high	44 Å²	44	28.1 Å²	28.1	45%	0.454	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-13.2	-174.5	0	0	0	0	0	115.4	E818	G816-E818 PolarHBondContact O-N 2.92Å
817	Y	91.8	Very high	95.5	Very high	144 Å²	144	27.3 Å²	27.3	57%	0.565	14%	0.143	S	C	*	.			trans	58.3	11.7	-171.5	-69.9	-106.6	0	0	0	114.4	F752 K812 S813 V814	F752-Y817 HydrophobicContact CE1-CD1 4.05Å; F752-Y817 HydrophobicContact CE1-CE1 4.11Å; F752-Y817 AromaticContact CZ-CD1 3.64Å; F752-Y817 HydrophobicContact CZ-CD1 3.64Å; F752-Y817 AromaticContact CZ-CE1 3.83Å; F752-Y817 HydrophobicContact CZ-CE1 3.83Å; F752-Y817 HydrophobicContact CZ-CG 4.49Å; K812-Y817 WeakPolarHBondContact CD-O 3.32Å; S813-Y817 VanDerWaalsContact O-CA 3.27Å; S813-Y817 WeakPolarHBondContact O-CA 3.44Å; S813-Y817 PolarHBondContact O-N 2.87Å; V814-Y817 WeakPolarHBondContact O-CE2 3.46Å
818	E	92.2	Very high	95.2	Very high	112 Å²	112	30.2 Å²	30.2	52%	0.523	16%	0.155	S	C	.	.			trans	-74.7	143.3	175	-58.7	-163.9	120.7	0	0	110.7	K812 S813 G816 Y820	K812-E818 VanDerWaalsContact CA-O 3.24Å; K812-E818 WeakPolarHBondContact CA-O 3.31Å; S813-E818 PolarHBondContact N-O 2.97Å; S813-E818 VanDerWaalsContact N-O 3.13Å; G816-E818 PolarHBondContact O-N 2.92Å; E818-Y820 HydrophobicContact CB-CE2 4.43Å
819	S	94.7	Very high	94.9	Very high	12 Å²	12	33.3 Å²	33.3	8%	0.084	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	134.6	170.8	-178.6	0	0	0	0	110.3	T810 G821 E822 H844	T810-S819 VanDerWaalsContact OG1-CB 3.31Å; T810-S819 WeakPolarHBondContact OG1-CB 3.49Å; T810-S819 PolarHBondContact OG1-OG 2.89Å; S819-G821 PolarHBondContact OG-N 3.43Å; S819-G821 VanDerWaalsContact OG-N 3.1Å; S819-E822 VanDerWaalsContact CB-OE1 3.3Å; S819-E822 WeakPolarHBondContact CB-OE1 3.43Å; S819-E822 PolarHBondContact OG-OE1 2.71Å; S819-H844 PolarHBondContact O-CE1 3.24Å; S819-H844 PolarHBondContact O-NE2 3.38Å
820	Y	95.5	Very high	94.6	Very high	52 Å²	52	34 Å²	34	20%	0.204	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	1.7	169.2	-76	-112.4	0	0	0	111.5	V743 T745 F751 V811 E818 T849	V743-Y820 HydrophobicContact CG1-CD1 4.02Å; V743-Y820 HydrophobicContact CG1-CG 4.14Å; T745-Y820 WeakPolarHBondContact OG1-CE1 3.23Å; F751-Y820 HydrophobicContact CE1-CD1 4.17Å; F751-Y820 AromaticContact CE1-CD2 3.66Å; F751-Y820 HydrophobicContact CE1-CD2 3.66Å; F751-Y820 HydrophobicContact CE1-CE2 4.14Å; F751-Y820 AromaticContact CE1-CG 3.68Å; F751-Y820 HydrophobicContact CE1-CG 3.68Å; F751-Y820 HydrophobicContact CZ-CD1 4.31Å; F751-Y820 HydrophobicContact CZ-CD2 4.42Å; F751-Y820 HydrophobicContact CZ-CE1 4.47Å; F751-Y820 HydrophobicContact CZ-CG 4.28Å; V811-Y820 PolarHBondContact O-N 2.92Å; E818-Y820 HydrophobicContact CB-CE2 4.43Å; Y820-T849 WeakPolarHBondContact O-CB 3.35Å; Y820-T849 PolarHBondContact O-OG1 3.45Å
821	G	96.3	Very high	94.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.8	132	178.9	0	0	0	0	0	113.8	T810 V811 S819 T849	T810-G821 WeakPolarHBondContact CA-O 3.35Å; V811-G821 PolarHBondContact N-O 3.07Å; S819-G821 PolarHBondContact OG-N 3.43Å; S819-G821 VanDerWaalsContact OG-N 3.1Å; G821-T849 WeakPolarHBondContact CA-OG1 3.46Å
822	E	97	Very high	93.7	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	150.1	172.7	-57	91.3	-113.8	0	0	111.4	F579 L583 L809 S819 L842 S843 H844	F579-E822 HydrophobicContact CD1-CB 3.66Å; F579-E822 HydrophobicContact CD1-CG 3.56Å; F579-E822 HydrophobicContact CE1-CB 3.83Å; F579-E822 HydrophobicContact CE1-CG 3.85Å; F579-E822 HydrophobicContact CG-CG 4.26Å; L583-E822 HydrophobicContact CD1-CB 3.45Å; L583-E822 VanDerWaalsContact CD1-CB 3.45Å; L809-E822 CarbonylContact O-C 3.52Å; L809-E822 VanDerWaalsContact O-CA 3.3Å; L809-E822 WeakPolarHBondContact O-CA 3.49Å; S819-E822 VanDerWaalsContact CB-OE1 3.3Å; S819-E822 WeakPolarHBondContact CB-OE1 3.43Å; S819-E822 PolarHBondContact OG-OE1 2.71Å; E822-L842 WeakPolarHBondContact O-CA 3.2Å; E822-S843 PolarHBondContact N-O 3.14Å; E822-S843 PolarHBondContact O-N 2.96Å; E822-H844 IonicContact OE1-CE1 3.18Å; E822-H844 IonicContact OE1-CG 3.62Å; E822-H844 IonicContact OE1-ND1 2.82Å; E822-H844 PolarHBondContact OE1-ND1 2.97Å; E822-H844 IonicContact OE2-ND1 2.85Å
823	C	97.2	Very high	93	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	176.4	166.7	71.3	0	0	0	0	112	L808 L809 T840 L842	L808-C823 WeakPolarHBondContact CA-O 3.37Å; L809-C823 PolarHBondContact N-O 2.79Å; L809-C823 PolarHBondContact O-N 2.75Å; C823-T840 HydrophobicContact CB-CG2 3.71Å; C823-L842 HydrophobicContact CB-CD2 4.15Å
824	V	97.3	Very high	92.7	Very high	15 Å²	15	44.9 Å²	44.9	9%	0.091	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.7	176.3	59.4	0	0	0	0	110.7	L583 Y683 P684 H806 L807 L808	L583-V824 HydrophobicContact CD2-CB 4.35Å; L583-V824 HydrophobicContact CD2-CG1 3.87Å; Y683-V824 HydrophobicContact CD1-CG1 4.15Å; Y683-V824 HydrophobicContact CD1-CG2 4.05Å; Y683-V824 HydrophobicContact CD2-CG2 4.28Å; Y683-V824 HydrophobicContact CE1-CG2 4.31Å; Y683-V824 HydrophobicContact CG-CG2 4.04Å; P684-V824 HydrophobicContact CG-CG1 4.32Å; H806-V824 HydrophobicContact CB-CG2 3.77Å; L807-V824 CarbonylContact O-C 3.57Å; L807-V824 WeakPolarHBondContact O-CA 3.16Å; L808-V824 HydrophobicContact CD1-CG2 4.17Å
825	L	97.3	Very high	92.6	Very high	9 Å²	9	43.5 Å²	43.5	5%	0.047	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.5	177.6	-57	178.1	0	0	0	109.5	H806 L807 L809 F838 T840 M856	H806-L825 CarbonylContact C-O 3.54Å; H806-L825 WeakPolarHBondContact CA-O 3.2Å; H806-L825 WeakPolarHBondContact CB-O 3.39Å; L807-L825 PolarHBondContact N-O 2.73Å; L807-L825 PolarHBondContact O-N 2.78Å; L809-L825 HydrophobicContact CD1-CD1 3.92Å; L809-L825 HydrophobicContact CD1-CG 4.28Å; L809-L825 HydrophobicContact CD2-CD1 3.94Å; L825-F838 HydrophobicContact CD1-CD1 4.26Å; L825-F838 HydrophobicContact CD1-CD2 3.86Å; L825-F838 HydrophobicContact CD1-CE1 4.16Å; L825-F838 HydrophobicContact CD1-CE2 3.75Å; L825-F838 HydrophobicContact CD1-CG 4.11Å; L825-F838 HydrophobicContact CD1-CZ 3.9Å; L825-F838 HydrophobicContact CD2-CB 4.23Å; L825-F838 HydrophobicContact CD2-CD2 3.48Å; L825-F838 VanDerWaalsContact CD2-CD2 3.48Å; L825-F838 HydrophobicContact CD2-CE2 4.01Å; L825-F838 HydrophobicContact CD2-CG 3.99Å; L825-F838 HydrophobicContact CG-CD2 4.34Å; L825-T840 HydrophobicContact CD2-CG2 3.69Å; L825-M856 HydrophobicContact CD1-SD 4.14Å
826	A	96.4	Very high	92.8	Very high	5 Å²	5	42.6 Å²	42.6	4%	0.041	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	146	170.8	0	0	0	0	0	110.9	P684 E685 H806 M830	P684-A826 HydrophobicContact CB-CB 4.37Å; P684-A826 HydrophobicContact CG-CB 4.11Å; E685-A826 HydrophobicContact CB-CB 3.94Å; E685-A826 HydrophobicContact CG-CB 4.07Å; E685-A826 WeakPolarHBondContact OE1-CB 3.34Å; H806-A826 VanDerWaalsContact CD2-CA 3.5Å; H806-A826 WeakPolarHBondContact CD2-CA 3.48Å; A826-M830 WeakPolarHBondContact O-CG 3.34Å
827	L	95.1	Very high	93.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-89.2	-18.2	176.4	-65.8	-166.4	0	0	0	113.9	I734 L802 Q805 L807 S829 M830 I831 M856 V858	I734-L827 HydrophobicContact CD1-CD1 3.6Å; I734-L827 HydrophobicContact CD1-CD2 4.15Å; L802-L827 WeakPolarHBondContact O-CB 3.48Å; Q805-L827 HydrophobicContact CB-CD1 4.08Å; Q805-L827 WeakPolarHBondContact O-CB 3.29Å; Q805-L827 WeakPolarHBondContact O-CG 3.02Å; Q805-L827 PolarHBondContact O-N 3.34Å; L807-L827 HydrophobicContact CD1-CD2 4.03Å; L807-L827 HydrophobicContact CG-CD2 3.9Å; L807-L827 HydrophobicContact CG-CG 4.48Å; L827-S829 PolarHBondContact O-N 3.32Å; L827-M830 WeakPolarHBondContact O-CA 3.42Å; L827-M830 WeakPolarHBondContact O-CB 3.15Å; L827-M830 PolarHBondContact O-N 3.45Å; L827-I831 WeakPolarHBondContact O-CG1 3.23Å; L827-I831 PolarHBondContact O-N 3.46Å; L827-M856 HydrophobicContact CD2-CE 3.88Å; L827-V858 HydrophobicContact CB-CG2 4.2Å; L827-V858 HydrophobicContact CD1-CG2 4.11Å; L827-V858 HydrophobicContact CD2-CG2 3.78Å; L827-V858 HydrophobicContact CG-CG2 4.25Å
828	K	90.6	Very high	93.4	Very high	62 Å²	62	41.8 Å²	41.8	27%	0.27	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-48.9	-58.5	-176.4	-169.6	167.3	-173.1	170.7	0	113.2	E685 Q803 M830 E873	E685-K828 WeakPolarHBondContact OE2-CB 3.21Å; Q803-K828 HydrophobicContact CB-CG 4.34Å; Q803-K828 VanDerWaalsContact O-CB 3.29Å; Q803-K828 WeakPolarHBondContact O-CB 3.18Å; K828-M830 PolarHBondContact O-N 2.9Å; K828-E873 IonicContact NZ-OE1 3.85Å; K828-E873 PolarHBondContact NZ-OE1 2.91Å
829	S	90.6	Very high	93.7	Very high	72 Å²	72	41.9 Å²	41.9	50%	0.503	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-75.8	-2	178.5	-67.9	0	0	0	0	114.7	E685 L827	E685-S829 PolarHBondContact OE1-OG 2.95Å; E685-S829 WeakPolarHBondContact OE2-CB 3.18Å; E685-S829 PolarHBondContact OE2-N 3.25Å; E685-S829 PolarHBondContact OE2-OG 3.3Å; L827-S829 PolarHBondContact O-N 3.32Å
830	M	92.1	Very high	93.8	Very high	16 Å²	16	42.8 Å²	42.8	8%	0.079	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-102.1	-3.4	-177.8	-55.6	-63.2	155.8	0	0	113.5	A826 L827 K828 Q836 F838 M856 R857 V858	A826-M830 WeakPolarHBondContact O-CG 3.34Å; L827-M830 WeakPolarHBondContact O-CA 3.42Å; L827-M830 WeakPolarHBondContact O-CB 3.15Å; L827-M830 PolarHBondContact O-N 3.45Å; K828-M830 PolarHBondContact O-N 2.9Å; M830-Q836 HydrophobicContact SD-CB 3.79Å; M830-F838 HydrophobicContact CE-CB 3.77Å; M830-M856 HydrophobicContact CB-CG 4.26Å; M830-M856 HydrophobicContact CB-SD 4.48Å; M830-M856 HydrophobicContact CG-CE 4.49Å; M830-M856 HydrophobicContact CG-CG 4.01Å; M830-M856 HydrophobicContact CG-SD 3.92Å; M830-M856 HydrophobicContact SD-CG 3.65Å; M830-M856 HydrophobicContact SD-SD 4.07Å; M830-R857 WeakPolarHBondContact O-CA 3.46Å; M830-V858 HydrophobicContact CB-CG2 4.14Å; M830-V858 PolarHBondContact O-N 3.02Å
831	I	90.4	Very high	93.8	Very high	37 Å²	37	45.8 Å²	45.8	19%	0.19	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-78.4	123.1	-179.3	-69.4	156.7	0	0	0	111	I799 L802 Q803 L827 V858 V860	I799-I831 HydrophobicContact CD1-CG2 3.87Å; I799-I831 HydrophobicContact CG1-CD1 4.3Å; I799-I831 HydrophobicContact CG1-CG2 4.12Å; L802-I831 HydrophobicContact CB-CD1 4.21Å; Q803-I831 HydrophobicContact CB-CD1 3.83Å; L827-I831 WeakPolarHBondContact O-CG1 3.23Å; L827-I831 PolarHBondContact O-N 3.46Å; I831-V858 HydrophobicContact CB-CB 4.49Å; I831-V858 HydrophobicContact CG1-CB 3.77Å; I831-V858 HydrophobicContact CG1-CG1 4.03Å; I831-V858 HydrophobicContact CG1-CG2 4.31Å; I831-V860 HydrophobicContact CG2-CG2 3.95Å
832	G	86.4	Confident	93.8	Very high	24 Å²	24	45.8 Å²	45.8	25%	0.247	25%	0.249	C	C	.	.	S	Bend	trans	165.4	179.6	-179.9	0	0	0	0	0	114.6	V858	G832-V858 PolarHBondContact N-O 2.98Å
833	S	82.4	Confident	93.7	Very high	96 Å²	96	45.9 Å²	45.9	67%	0.671	25%	0.25	S	C	*	.	S	Bend	trans	-84.8	-34.8	171.7	53	0	0	0	0	112.4
834	T	89.3	Confident	93.6	Very high	87 Å²	87	47.7 Å²	47.7	53%	0.534	26%	0.258	S	S	.	.	S	Bend	trans	-81.2	143.1	173.5	51.5	0	0	0	0	110.9	Q836	T834-Q836 PolarHBondContact OG1-NE2 3.37Å
835	A	93	Very high	93.3	Very high	24 Å²	24	53 Å²	53	20%	0.198	28%	0.276	C	S	.	.			trans	-73.1	144.1	168.7	0	0	0	0	0	111.2	E737 S855 M856 R857	E737-A835 VanDerWaalsContact CD-CB 3.45Å; E737-A835 HydrophobicContact CG-CB 4.11Å; E737-A835 VanDerWaalsContact OE2-CB 3.23Å; E737-A835 WeakPolarHBondContact OE2-CB 3.3Å; A835-S855 VanDerWaalsContact CB-OG 3.23Å; A835-S855 WeakPolarHBondContact CB-OG 3.41Å; A835-M856 CarbonylContact C-O 3.53Å; A835-M856 WeakPolarHBondContact CA-O 3.17Å; A835-R857 HydrophobicContact CB-CB 4.45Å; A835-R857 HydrophobicContact CB-CG 4.49Å
836	Q	95.5	Very high	92.7	Very high	80 Å²	80	52.8 Å²	52.8	37%	0.374	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	149	179.9	-56.7	-61.7	-7.8	0	0	109	M830 T834 S855 M856	M830-Q836 HydrophobicContact SD-CB 3.79Å; T834-Q836 PolarHBondContact OG1-NE2 3.37Å; Q836-S855 WeakPolarHBondContact O-CA 3.42Å; Q836-M856 PolarHBondContact N-O 3.27Å; Q836-M856 PolarHBondContact O-N 3.39Å
837	Q	96.4	Very high	92.5	Very high	160 Å²	160	56.8 Å²	56.8	75%	0.748	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	138.6	179.2	-67.9	-176	-4.5	0	0	111.1	G854	Q837-G854 VanDerWaalsContact CA-O 3.31Å; Q837-G854 WeakPolarHBondContact CA-O 3.37Å
838	F	96.8	Very high	92.5	Very high	11 Å²	11	60.4 Å²	60.4	5%	0.048	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	151.3	168.4	71.3	-94.5	0	0	0	110.6	F736 I739 L825 M830 I852 R853 G854 M856	F736-F838 HydrophobicContact CD1-CE1 4.09Å; F736-F838 HydrophobicContact CE1-CE1 4.04Å; F736-F838 HydrophobicContact CE1-CZ 4.44Å; I739-F838 HydrophobicContact CD1-CZ 4.25Å; I739-F838 HydrophobicContact CG1-CE1 4.5Å; I739-F838 HydrophobicContact CG1-CZ 4.05Å; L825-F838 HydrophobicContact CD1-CD1 4.26Å; L825-F838 HydrophobicContact CD1-CD2 3.86Å; L825-F838 HydrophobicContact CD1-CE1 4.16Å; L825-F838 HydrophobicContact CD1-CE2 3.75Å; L825-F838 HydrophobicContact CD1-CG 4.11Å; L825-F838 HydrophobicContact CD1-CZ 3.9Å; L825-F838 HydrophobicContact CD2-CB 4.23Å; L825-F838 HydrophobicContact CD2-CD2 3.48Å; L825-F838 VanDerWaalsContact CD2-CD2 3.48Å; L825-F838 HydrophobicContact CD2-CE2 4.01Å; L825-F838 HydrophobicContact CD2-CG 3.99Å; L825-F838 HydrophobicContact CG-CD2 4.34Å; M830-F838 HydrophobicContact CE-CB 3.77Å; F838-I852 HydrophobicContact CE2-CG1 4.38Å; F838-R853 WeakPolarHBondContact O-CA 3.34Å; F838-R853 WeakPolarHBondContact O-CB 3.41Å; F838-G854 PolarHBondContact N-O 2.92Å; F838-G854 PolarHBondContact O-N 2.82Å; F838-M856 HydrophobicContact CD1-CB 4.42Å; F838-M856 HydrophobicContact CD1-CG 3.91Å; F838-M856 HydrophobicContact CD1-SD 3.72Å; F838-M856 HydrophobicContact CE1-CB 4.38Å; F838-M856 HydrophobicContact CE1-CG 4.3Å; F838-M856 HydrophobicContact CE1-SD 4.02Å
839	H	96.8	Very high	92.8	Very high	114 Å²	114	58.1 Å²	58.1	53%	0.528	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	132.9	168.8	-177.4	41.5	0	0	0	109.2	I852 R853	H839-I852 WeakPolarHBondContact CA-O 3.31Å; H839-I852 PolarHBondContact ND1-O 3.47Å; H839-R853 HydrophobicContact CB-CB 4.35Å
840	T	96.7	Very high	93	Very high	31 Å²	31	55.1 Å²	55.1	19%	0.19	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	168.9	177.9	-169.5	0	0	0	0	110.6	C823 L825 N851 I852	C823-T840 HydrophobicContact CB-CG2 3.71Å; L825-T840 HydrophobicContact CD2-CG2 3.69Å; T840-N851 WeakPolarHBondContact O-CA 3.48Å; T840-N851 WeakPolarHBondContact O-CB 3.44Å; T840-I852 HydrophobicContact CG2-CG2 3.53Å; T840-I852 PolarHBondContact N-O 3.13Å; T840-I852 PolarHBondContact O-N 3.36Å; T840-I852 VanDerWaalsContact O-O 3.09Å
841	Y	96.1	Very high	93.3	Very high	115 Å²	115	56.2 Å²	56.2	45%	0.451	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	134.3	-175.1	-62.4	-99.1	0	0	0	110.9	R635 E848 N851	R635-Y841 PolarHBondContact NH1-O 3Å; Y841-E848 WeakPolarHBondContact CD1-OE1 3.31Å; Y841-N851 HydrophobicContact CD1-CB 4.39Å
842	L	97.1	Very high	93.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	142.7	174.7	-65.5	174.3	0	0	0	109.7	R635 A741 V743 V811 E822 C823 T849 G850 I852	R635-L842 PolarHBondContact NH2-O 3.42Å; R635-L842 VanDerWaalsContact NH2-O 3.12Å; A741-L842 HydrophobicContact CB-CD1 4.27Å; V743-L842 HydrophobicContact CG2-CD1 4.25Å; V811-L842 HydrophobicContact CG2-CD1 4.24Å; V811-L842 HydrophobicContact CG2-CD2 4.08Å; E822-L842 WeakPolarHBondContact O-CA 3.2Å; C823-L842 HydrophobicContact CB-CD2 4.15Å; L842-T849 PolarHBondContact O-N 3.45Å; L842-G850 PolarHBondContact N-O 3.01Å; L842-I852 HydrophobicContact CD1-CB 4.44Å; L842-I852 HydrophobicContact CD2-CB 4.13Å; L842-I852 HydrophobicContact CD2-CG2 3.88Å; L842-I852 HydrophobicContact CG-CB 4.2Å; L842-I852 HydrophobicContact CG-CG2 4.23Å
843	S	95.4	Very high	94.2	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	144.9	172	49.8	0	0	0	0	110.6	E822 E847	E822-S843 PolarHBondContact N-O 3.14Å; E822-S843 PolarHBondContact O-N 2.96Å; S843-E847 CarbonylContact C-O 3.54Å; S843-E847 WeakPolarHBondContact CA-O 3.29Å; S843-E847 VanDerWaalsContact CB-O 3.31Å; S843-E847 WeakPolarHBondContact CB-O 3.47Å
844	H	94.4	Very high	94.9	Very high	41 Å²	41	54.8 Å²	54.8	19%	0.19	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.3	173.1	-172	60.3	0	0	0	109.4	S819 E822 G846 E847 T849	S819-H844 PolarHBondContact O-CE1 3.24Å; S819-H844 PolarHBondContact O-NE2 3.38Å; E822-H844 IonicContact OE1-CE1 3.18Å; E822-H844 IonicContact OE1-CG 3.62Å; E822-H844 IonicContact OE1-ND1 2.82Å; E822-H844 PolarHBondContact OE1-ND1 2.97Å; E822-H844 IonicContact OE2-ND1 2.85Å; H844-G846 PolarHBondContact O-N 3.28Å; H844-G846 VanDerWaalsContact O-N 3.08Å; H844-E847 PolarHBondContact N-O 3.13Å; H844-E847 PolarHBondContact O-N 2.94Å; H844-T849 HydrophobicContact CB-CG2 3.67Å
845	R	89.6	Confident	95.2	Very high	126 Å²	126	51.4 Å²	51.4	48%	0.475	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	33.7	175.4	-60.2	178.5	-166.1	-146.8	5.4	114.6	R567	R567-R845 HydrophobicContact CG-CB 4.13Å; R567-R845 HydrophobicContact CG-CG 4.49Å; R567-R845 PolarHBondContact NE-O 3.34Å; R567-R845 PolarHBondContact NH2-O 3.15Å
846	G	86.6	Confident	95.4	Very high	5 Å²	5	50.2 Å²	50.2	5%	0.052	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	-6.7	-177.8	0	0	0	0	0	117.4	D580 H844	D580-G846 PolarHBondContact OD2-N 3.5Å; H844-G846 PolarHBondContact O-N 3.28Å; H844-G846 VanDerWaalsContact O-N 3.08Å
847	E	92.1	Very high	95.3	Very high	89 Å²	89	48.5 Å²	48.5	42%	0.416	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	153.5	176.2	-71.5	174.2	-128.5	0	0	111.7	R567 K744 S843 H844	R567-E847 IonicContact NH2-OE1 3.87Å; K744-E847 IonicContact NZ-OE2 2.73Å; K744-E847 PolarHBondContact NZ-OE2 3.29Å; S843-E847 CarbonylContact C-O 3.54Å; S843-E847 WeakPolarHBondContact CA-O 3.29Å; S843-E847 VanDerWaalsContact CB-O 3.31Å; S843-E847 WeakPolarHBondContact CB-O 3.47Å; H844-E847 PolarHBondContact N-O 3.13Å; H844-E847 PolarHBondContact O-N 2.94Å
848	E	94.7	Very high	95.2	Very high	76 Å²	76	40.9 Å²	40.9	36%	0.355	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	123.3	168	-174.9	152.1	118.4	0	0	110.5	L634 R635 Y841	L634-E848 HydrophobicContact CD2-CB 4.11Å; R635-E848 IonicContact CZ-OE2 2.66Å; R635-E848 IonicContact NE-OE2 3.22Å; R635-E848 PolarHBondContact NE-OE2 3.01Å; R635-E848 IonicContact NH2-OE2 2.99Å; R635-E848 PolarHBondContact NH2-OE2 3.1Å; Y841-E848 WeakPolarHBondContact CD1-OE1 3.31Å
849	T	95.8	Very high	94.9	Very high	14 Å²	14	44 Å²	44	9%	0.086	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	2	-178.1	56.2	0	0	0	0	113.6	K744 Y820 G821 L842 H844	K744-T849 WeakPolarHBondContact CB-O 3.35Å; K744-T849 PolarHBondContact N-O 2.66Å; Y820-T849 WeakPolarHBondContact O-CB 3.35Å; Y820-T849 PolarHBondContact O-OG1 3.45Å; G821-T849 WeakPolarHBondContact CA-OG1 3.46Å; L842-T849 PolarHBondContact O-N 3.45Å; H844-T849 HydrophobicContact CB-CG2 3.67Å
850	G	95.8	Very high	94.4	Very high	9 Å²	9	39.1 Å²	39.1	9%	0.093	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.7	-143.9	173.2	0	0	0	0	0	112.3	I742 L842	I742-G850 WeakPolarHBondContact O-CA 3.26Å; L842-G850 PolarHBondContact N-O 3.01Å
851	N	97.2	Very high	93.6	Very high	39 Å²	39	39.3 Å²	39.3	21%	0.209	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	164.6	-177.6	63.3	74.4	0	0	0	112.7	A741 I742 T840 Y841	A741-N851 CarbonylContact C-O 3.57Å; A741-N851 WeakPolarHBondContact CA-O 3.45Å; I742-N851 PolarHBondContact N-O 2.97Å; I742-N851 PolarHBondContact O-N 3.04Å; T840-N851 WeakPolarHBondContact O-CA 3.48Å; T840-N851 WeakPolarHBondContact O-CB 3.44Å; Y841-N851 HydrophobicContact CD1-CB 4.39Å
852	I	98.3	Very high	92.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	145.3	-178.5	-169.6	169.7	0	0	0	109.8	I739 E740 A741 I753 L809 V811 F838 H839 T840 L842	I739-I852 HydrophobicContact CG2-CD1 3.74Å; I739-I852 HydrophobicContact CG2-CG1 3.71Å; E740-I852 CarbonylContact O-C 3.58Å; E740-I852 WeakPolarHBondContact O-CA 3.19Å; A741-I852 HydrophobicContact CB-CB 4.24Å; A741-I852 HydrophobicContact CB-CD1 4.37Å; A741-I852 HydrophobicContact CB-CG1 4.05Å; I753-I852 HydrophobicContact CD1-CD1 4.47Å; L809-I852 HydrophobicContact CD2-CD1 4.21Å; V811-I852 HydrophobicContact CG2-CD1 4.18Å; F838-I852 HydrophobicContact CE2-CG1 4.38Å; H839-I852 WeakPolarHBondContact CA-O 3.31Å; H839-I852 PolarHBondContact ND1-O 3.47Å; T840-I852 HydrophobicContact CG2-CG2 3.53Å; T840-I852 PolarHBondContact N-O 3.13Å; T840-I852 PolarHBondContact O-N 3.36Å; T840-I852 VanDerWaalsContact O-O 3.09Å; L842-I852 HydrophobicContact CD1-CB 4.44Å; L842-I852 HydrophobicContact CD2-CB 4.13Å; L842-I852 HydrophobicContact CD2-CG2 3.88Å; L842-I852 HydrophobicContact CG-CB 4.2Å; L842-I852 HydrophobicContact CG-CG2 4.23Å
853	R	97.9	Very high	90.5	Very high	116 Å²	116	45.4 Å²	45.4	44%	0.438	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	158.8	177.5	63	-176.9	-177.8	-170.3	-0.3	110.5	I739 E740 F838 H839	I739-R853 CarbonylContact C-O 3.52Å; I739-R853 WeakPolarHBondContact CA-O 3.47Å; E740-R853 HydrophobicContact CB-CG 4.06Å; E740-R853 PolarHBondContact N-O 3.01Å; E740-R853 PolarHBondContact O-N 3.23Å; E740-R853 VanDerWaalsContact O-O 3.14Å; E740-R853 IonicContact OE1-CZ 3.55Å; E740-R853 IonicContact OE1-NE 3.9Å; E740-R853 IonicContact OE1-NH2 3.19Å; E740-R853 PolarHBondContact OE1-NH2 3Å; E740-R853 IonicContact OE2-CZ 2.87Å; E740-R853 IonicContact OE2-NE 3.14Å; E740-R853 PolarHBondContact OE2-NE 3.01Å; E740-R853 IonicContact OE2-NH2 2.67Å; E740-R853 PolarHBondContact OE2-NH2 3Å; F838-R853 WeakPolarHBondContact O-CA 3.34Å; F838-R853 WeakPolarHBondContact O-CB 3.41Å; H839-R853 HydrophobicContact CB-CB 4.35Å
854	G	97.1	Very high	89	Confident	11 Å²	11	46.3 Å²	46.3	11%	0.113	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	-179.6	177.1	0	0	0	0	0	113.5	S738 Q837 F838	S738-G854 CarbonylContact O-C 3.49Å; S738-G854 WeakPolarHBondContact O-CA 3.42Å; Q837-G854 VanDerWaalsContact CA-O 3.31Å; Q837-G854 WeakPolarHBondContact CA-O 3.37Å; F838-G854 PolarHBondContact N-O 2.92Å; F838-G854 PolarHBondContact O-N 2.82Å
855	S	96.8	Very high	87.3	Confident	15 Å²	15	49.2 Å²	49.2	11%	0.105	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.2	173.9	-176.8	0	0	0	0	108.9	F736 E737 S738 A835 Q836	F736-S855 WeakPolarHBondContact CA-O 3.22Å; E737-S855 PolarHBondContact N-O 3.13Å; E737-S855 PolarHBondContact OE2-OG 3.1Å; S738-S855 PolarHBondContact O-N 3.12Å; A835-S855 VanDerWaalsContact CB-OG 3.23Å; A835-S855 WeakPolarHBondContact CB-OG 3.41Å; Q836-S855 WeakPolarHBondContact O-CA 3.42Å
856	M	96.1	Very high	85.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	160.7	-177.2	74.1	-178.1	-67	0	0	113.3	I734 E735 F736 L807 L825 L827 M830 A835 Q836 F838	I734-M856 HydrophobicContact CG2-CE 3.45Å; I734-M856 VanDerWaalsContact CG2-CE 3.45Å; E735-M856 CarbonylContact O-C 3.58Å; E735-M856 VanDerWaalsContact O-CA 3.28Å; E735-M856 WeakPolarHBondContact O-CA 3.24Å; F736-M856 HydrophobicContact CD1-CB 3.53Å; F736-M856 HydrophobicContact CD1-CE 4.48Å; F736-M856 HydrophobicContact CD1-SD 4.38Å; F736-M856 HydrophobicContact CE1-CB 3.84Å; F736-M856 HydrophobicContact CE1-CE 3.68Å; F736-M856 HydrophobicContact CE1-CG 4.4Å; F736-M856 HydrophobicContact CE1-SD 3.72Å; F736-M856 HydrophobicContact CG-CB 4.23Å; F736-M856 HydrophobicContact CZ-CE 3.79Å; F736-M856 HydrophobicContact CZ-SD 4.39Å; L807-M856 HydrophobicContact CD1-CE 3.97Å; L825-M856 HydrophobicContact CD1-SD 4.14Å; L827-M856 HydrophobicContact CD2-CE 3.88Å; M830-M856 HydrophobicContact CB-CG 4.26Å; M830-M856 HydrophobicContact CB-SD 4.48Å; M830-M856 HydrophobicContact CG-CE 4.49Å; M830-M856 HydrophobicContact CG-CG 4.01Å; M830-M856 HydrophobicContact CG-SD 3.92Å; M830-M856 HydrophobicContact SD-CG 3.65Å; M830-M856 HydrophobicContact SD-SD 4.07Å; A835-M856 CarbonylContact C-O 3.53Å; A835-M856 WeakPolarHBondContact CA-O 3.17Å; Q836-M856 PolarHBondContact N-O 3.27Å; Q836-M856 PolarHBondContact O-N 3.39Å; F838-M856 HydrophobicContact CD1-CB 4.42Å; F838-M856 HydrophobicContact CD1-CG 3.91Å; F838-M856 HydrophobicContact CD1-SD 3.72Å; F838-M856 HydrophobicContact CE1-CB 4.38Å; F838-M856 HydrophobicContact CE1-CG 4.3Å; F838-M856 HydrophobicContact CE1-SD 4.02Å
857	R	94.1	Very high	83.9	Confident	43 Å²	43	50 Å²	50	16%	0.162	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	141.8	172.8	49.4	-175.6	170.8	-108	-10.9	111.6	I734 E735 E737 M830 A835	I734-R857 WeakPolarHBondContact CA-O 3.25Å; E735-R857 HydrophobicContact CB-CG 4.07Å; E735-R857 PolarHBondContact N-O 3.09Å; E735-R857 PolarHBondContact O-N 3Å; E735-R857 IonicContact OE2-CZ 2.94Å; E735-R857 IonicContact OE2-NE 3.2Å; E735-R857 PolarHBondContact OE2-NE 3.04Å; E735-R857 IonicContact OE2-NH2 2.78Å; E735-R857 PolarHBondContact OE2-NH2 2.94Å; E737-R857 IonicContact OE1-CZ 2.83Å; E737-R857 IonicContact OE1-NH1 3.75Å; E737-R857 PolarHBondContact OE1-NH1 3.31Å; E737-R857 IonicContact OE1-NH2 3.21Å; M830-R857 WeakPolarHBondContact O-CA 3.46Å; A835-R857 HydrophobicContact CB-CB 4.45Å; A835-R857 HydrophobicContact CB-CG 4.49Å
858	V	94.3	Very high	82	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	105.3	165	-173.3	0	0	0	0	107.7	Y733 I734 L802 L827 M830 I831 G832 V860	Y733-V858 WeakPolarHBondContact O-CA 3.28Å; I734-V858 HydrophobicContact CD1-CG2 4.48Å; I734-V858 HydrophobicContact CG1-CG1 4.36Å; I734-V858 HydrophobicContact CG1-CG2 4.15Å; I734-V858 HydrophobicContact CG2-CG2 4.19Å; L802-V858 HydrophobicContact CD1-CG1 4.17Å; L827-V858 HydrophobicContact CB-CG2 4.2Å; L827-V858 HydrophobicContact CD1-CG2 4.11Å; L827-V858 HydrophobicContact CD2-CG2 3.78Å; L827-V858 HydrophobicContact CG-CG2 4.25Å; M830-V858 HydrophobicContact CB-CG2 4.14Å; M830-V858 PolarHBondContact O-N 3.02Å; I831-V858 HydrophobicContact CB-CB 4.49Å; I831-V858 HydrophobicContact CG1-CB 3.77Å; I831-V858 HydrophobicContact CG1-CG1 4.03Å; I831-V858 HydrophobicContact CG1-CG2 4.31Å; G832-V858 PolarHBondContact N-O 2.98Å; V858-V860 HydrophobicContact CG1-CG2 4.34Å
859	R	90	Very high	80.1	Confident	76 Å²	76	52.6 Å²	52.6	29%	0.287	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.7	-179	-162.9	-179.5	-67.6	133.1	8.1	109.2	A732 Y733 E735	A732-R859 VanDerWaalsContact CA-O 3.31Å; A732-R859 WeakPolarHBondContact CA-O 3.49Å; A732-R859 WeakPolarHBondContact CB-O 3.48Å; Y733-R859 HydrophobicContact CD2-CB 4.14Å; Y733-R859 HydrophobicContact CE2-CB 3.75Å; Y733-R859 HydrophobicContact CE2-CG 4.37Å; Y733-R859 PolarHBondContact N-O 3.07Å; Y733-R859 PolarHBondContact O-N 2.91Å; Y733-R859 WeakPolarHBondContact OH-CD 3.26Å; Y733-R859 PolarHBondContact OH-NH1 3.28Å; E735-R859 IonicContact OE1-CZ 3.21Å; E735-R859 IonicContact OE1-NH1 3.1Å; E735-R859 PolarHBondContact OE1-NH1 3.43Å; E735-R859 IonicContact OE1-NH2 2.75Å; E735-R859 IonicContact OE2-CZ 2.78Å; E735-R859 IonicContact OE2-NH1 3.57Å; E735-R859 IonicContact OE2-NH2 2.77Å; E735-R859 PolarHBondContact OE2-NH2 2.85Å
860	V	86.4	Confident	78.5	Confident	13 Å²	13	52.8 Å²	52.8	8%	0.079	28%	0.279	C	S	.	.			trans	-109.9	138.6	-177.6	178.4	0	0	0	0	110	I799 L802 I831 V858 R864 M865	I799-V860 HydrophobicContact CB-CG1 4.35Å; L802-V860 HydrophobicContact CD1-CG2 3.81Å; I831-V860 HydrophobicContact CG2-CG2 3.95Å; V858-V860 HydrophobicContact CG1-CG2 4.34Å; V860-R864 HydrophobicContact CG1-CB 4.31Å; V860-M865 HydrophobicContact CG1-CG 4.39Å; V860-M865 VanDerWaalsContact O-CE 3.32Å; V860-M865 WeakPolarHBondContact O-CE 3.32Å
861	P	79	Confident	76.7	Confident	34 Å²	34	53.1 Å²	53.1	22%	0.221	28%	0.279	C	S	.	.			trans	-62.2	139.1	174.2	-18.8	29.2	0	0	0	112.3	E730 E863 R864	E730-P861 WeakPolarHBondContact O-CG 3.17Å; P861-E863 PolarHBondContact O-N 3.23Å; P861-E863 VanDerWaalsContact O-N 3.16Å; P861-R864 HydrophobicContact CB-CG 4.46Å; P861-R864 PolarHBondContact O-N 3.34Å
862	A	67.7	Low	74.8	Confident	81 Å²	81	52.4 Å²	52.4	67%	0.669	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-56.2	-35.5	-176.6	0	0	0	0	0	113.8	R864 M865	A862-R864 PolarHBondContact O-N 2.82Å; A862-R864 VanDerWaalsContact O-N 3.16Å; A862-M865 PolarHBondContact O-N 2.88Å
863	E	62.2	Low	73.2	Confident	163 Å²	163	56.6 Å²	56.6	76%	0.762	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-70.6	-3.3	177.1	-60.5	-175.2	-161.8	0	0	114.8	P861	P861-E863 PolarHBondContact O-N 3.23Å; P861-E863 VanDerWaalsContact O-N 3.16Å
864	R	62.8	Low	71.7	Confident	21 Å²	21	51.9 Å²	51.9	8%	0.079	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-120.9	15.3	-179.8	-56.2	-174.8	-169.9	-132.9	6.2	112.5	E730 S797 E798 I799 V860 P861 A862 G866	E730-R864 IonicContact OE2-NH2 3.52Å; E730-R864 PolarHBondContact OE2-NH2 3.36Å; S797-R864 WeakPolarHBondContact O-CB 3.35Å; E798-R864 WeakPolarHBondContact OE1-CD 3.45Å; E798-R864 IonicContact OE1-CZ 3.52Å; E798-R864 IonicContact OE1-NE 3.53Å; E798-R864 IonicContact OE1-NH1 2.77Å; E798-R864 PolarHBondContact OE1-NH1 3.37Å; I799-R864 WeakPolarHBondContact CG2-O 3.31Å; I799-R864 PolarHBondContact N-O 3.12Å; V860-R864 HydrophobicContact CG1-CB 4.31Å; P861-R864 HydrophobicContact CB-CG 4.46Å; P861-R864 PolarHBondContact O-N 3.34Å; A862-R864 PolarHBondContact O-N 2.82Å; A862-R864 VanDerWaalsContact O-N 3.16Å; R864-G866 VanDerWaalsContact C-N 3.33Å; R864-G866 PolarHBondContact O-N 3.41Å
865	M	59.3	Low	70.6	Confident	103 Å²	103	53.2 Å²	53.2	51%	0.507	28%	0.28	S	S	.	.			trans	-87.1	14.1	177.6	-65.8	-175.4	174.7	0	0	114.6	V860 A862	V860-M865 HydrophobicContact CG1-CG 4.39Å; V860-M865 VanDerWaalsContact O-CE 3.32Å; V860-M865 WeakPolarHBondContact O-CE 3.32Å; A862-M865 PolarHBondContact O-N 2.88Å
866	G	53.9	Low	69.6	Low	52 Å²	52	53.9 Å²	53.9	54%	0.536	28%	0.284	S	S	.	.			trans	-67.8	130.9	171.5	0	0	0	0	0	110.6	I799 E800 R864	I799-G866 WeakPolarHBondContact CG2-O 3.38Å; E800-G866 WeakPolarHBondContact CG-O 3.32Å; R864-G866 VanDerWaalsContact C-N 3.33Å; R864-G866 PolarHBondContact O-N 3.41Å
867	T	50.6	Low	68.6	Low	96 Å²	96	57.5 Å²	57.5	59%	0.589	31%	0.306	S	S	*	.			trans	-120.1	125.3	-176.6	52.7	0	0	0	0	111.9	I799	I799-T867 HydrophobicContact CD1-CG2 4.23Å; I799-T867 HydrophobicContact CG2-CG2 3.86Å
868	R	52	Low	67.6	Low	78 Å²	78	57.8 Å²	57.8	29%	0.294	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-78.8	127.7	170.4	-160.6	173.5	104.2	177.1	12.2	111.3	Q404 D408 E800 R870	Q404-R868 VanDerWaalsContact OE1-CZ 3.3Å; D408-R868 IonicContact OD1-CZ 2.79Å; D408-R868 IonicContact OD1-NH2 3.91Å; D408-R868 PolarHBondContact OD1-NH2 3.03Å; D408-R868 IonicContact OD2-CZ 2.6Å; D408-R868 IonicContact OD2-NH2 3.16Å; D408-R868 PolarHBondContact OD2-NH2 3.16Å; E800-R868 HydrophobicContact CG-CB 4.3Å; E800-R868 WeakPolarHBondContact OE1-CB 3.32Å; E800-R868 PolarHBondContact OE1-N 2.8Å; R868-R870 PolarHBondContact O-N 2.85Å
869	E	55.2	Low	65.1	Low	140 Å²	140	66.3 Å²	66.3	65%	0.654	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-60.7	122.3	167.1	-70.4	-177.3	-180	0	0	108.9	R351	R351-E869 IonicContact NH1-OE1 3.82Å; R351-E869 PolarHBondContact NH1-OE1 2.89Å; R351-E869 IonicContact NH1-OE2 3.67Å
870	R	62.3	Low	63	Low	18 Å²	18	66.8 Å²	66.8	7%	0.068	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-76.6	146	177	-58.6	-174.1	-166.9	-156.3	-8.7	111.2	Q803 D804 R868 Y872 E873	Q803-R870 VanDerWaalsContact CG-NH2 3.28Å; D804-R870 IonicContact OD1-CZ 2.76Å; D804-R870 IonicContact OD1-NH1 3.49Å; D804-R870 PolarHBondContact OD1-NH1 2.88Å; D804-R870 IonicContact OD1-NH2 2.67Å; D804-R870 PolarHBondContact OD1-NH2 3.34Å; D804-R870 IonicContact OD2-CZ 3.41Å; D804-R870 IonicContact OD2-NH1 3.76Å; D804-R870 IonicContact OD2-NH2 3.59Å; D804-R870 PolarHBondContact OD2-NH2 3.22Å; R868-R870 PolarHBondContact O-N 2.85Å; R870-Y872 HydrophobicContact CB-CD1 4.42Å; R870-Y872 HydrophobicContact CB-CE1 4.25Å; R870-Y872 HydrophobicContact CB-CE2 4.45Å; R870-Y872 WeakPolarHBondContact CD-OH 3.27Å; R870-Y872 PolarHBondContact NH1-OH 3.12Å; R870-Y872 PolarHBondContact O-N 3.14Å; R870-E873 HydrophobicContact CB-CB 4.37Å; R870-E873 HydrophobicContact CB-CG 3.97Å; R870-E873 WeakPolarHBondContact CB-OE2 3.47Å; R870-E873 HydrophobicContact CG-CG 4.41Å; R870-E873 VanDerWaalsContact CG-OE2 3.27Å; R870-E873 WeakPolarHBondContact CG-OE2 3.31Å; R870-E873 IonicContact NE-OE1 2.86Å; R870-E873 IonicContact NE-OE2 3.95Å; R870-E873 PolarHBondContact O-N 3.22Å
871	L	57.6	Low	60.4	Low	17 Å²	17	74.2 Å²	74.2	9%	0.089	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-9.3	-178.8	-75.5	172.9	0	0	0	115.1	Q395 K398 W874	Q395-L871 PolarHBondContact NE2-O 3.28Å; Q395-L871 PolarHBondContact OE1-O 2.97Å; K398-L871 HydrophobicContact CG-CD2 4.06Å; L871-W874 PolarHBondContact O-NE1 3.38Å
872	Y	57.3	Low	58.2	Low	23 Å²	23	78.9 Å²	78.9	9%	0.09	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-21.2	178.6	50.6	-96	0	0	0	115.5	D408 M409 H687 R870 W874 I875	D408-Y872 HydrophobicContact CB-CD1 4.5Å; D408-Y872 HydrophobicContact CB-CE1 4.2Å; D408-Y872 WeakPolarHBondContact O-CE1 3.3Å; M409-Y872 HydrophobicContact CB-CD1 4.47Å; M409-Y872 VanDerWaalsContact CE-CB 3.41Å; M409-Y872 HydrophobicContact CE-CD1 3.89Å; M409-Y872 HydrophobicContact CE-CG 3.88Å; H687-Y872 HydrophobicContact CB-CD2 4.11Å; H687-Y872 HydrophobicContact CB-CE2 3.77Å; H687-Y872 AromaticContact CG-CD2 3.96Å; H687-Y872 AromaticContact ND1-CD2 3.84Å; R870-Y872 HydrophobicContact CB-CD1 4.42Å; R870-Y872 HydrophobicContact CB-CE1 4.25Å; R870-Y872 HydrophobicContact CB-CE2 4.45Å; R870-Y872 WeakPolarHBondContact CD-OH 3.27Å; R870-Y872 PolarHBondContact NH1-OH 3.12Å; R870-Y872 PolarHBondContact O-N 3.14Å; Y872-W874 PolarHBondContact O-N 3.14Å; Y872-W874 VanDerWaalsContact O-N 3.12Å; Y872-I875 PolarHBondContact O-N 3.37Å
873	E	64.8	Low	56.3	Low	89 Å²	89	80.1 Å²	80.1	42%	0.416	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.8	-179.9	-70.2	175	151.7	0	0	113	K828 R870 I875	K828-E873 IonicContact NZ-OE1 3.85Å; K828-E873 PolarHBondContact NZ-OE1 2.91Å; R870-E873 HydrophobicContact CB-CB 4.37Å; R870-E873 HydrophobicContact CB-CG 3.97Å; R870-E873 WeakPolarHBondContact CB-OE2 3.47Å; R870-E873 HydrophobicContact CG-CG 4.41Å; R870-E873 VanDerWaalsContact CG-OE2 3.27Å; R870-E873 WeakPolarHBondContact CG-OE2 3.31Å; R870-E873 IonicContact NE-OE1 2.86Å; R870-E873 IonicContact NE-OE2 3.95Å; R870-E873 PolarHBondContact O-N 3.22Å; E873-I875 PolarHBondContact O-N 2.98Å
874	W	66.4	Low	54.6	Low	16 Å²	16	75.3 Å²	75.3	6%	0.061	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.8	168.4	81.8	-56.5	0	0	0	114.3	I350 R351 Q352 L353 L394 K398 L871 Y872	I350-W874 HydrophobicContact CB-CZ3 4.08Å; I350-W874 HydrophobicContact CG2-CZ3 3.71Å; R351-W874 WeakPolarHBondContact O-CB 3.45Å; Q352-W874 CarbonylContact C-O 3.59Å; Q352-W874 WeakPolarHBondContact CA-O 3.35Å; Q352-W874 WeakPolarHBondContact CG-O 3.36Å; L353-W874 HydrophobicContact CD1-CH2 3.61Å; L353-W874 HydrophobicContact CD1-CZ2 3.95Å; L353-W874 HydrophobicContact CD1-CZ3 4.08Å; L353-W874 HydrophobicContact CD2-CH2 4.18Å; L353-W874 HydrophobicContact CD2-CZ3 3.92Å; L353-W874 HydrophobicContact CG-CE3 4.05Å; L353-W874 HydrophobicContact CG-CH2 3.66Å; L353-W874 HydrophobicContact CG-CZ2 4.24Å; L353-W874 HydrophobicContact CG-CZ3 3.57Å; L353-W874 PolarHBondContact N-O 2.9Å; L394-W874 HydrophobicContact CB-CH2 3.84Å; L394-W874 HydrophobicContact CB-CZ2 4.42Å; L394-W874 HydrophobicContact CD1-CH2 4.44Å; K398-W874 HydrophobicContact CD-CD2 3.79Å; K398-W874 HydrophobicContact CD-CE3 4.03Å; K398-W874 HydrophobicContact CD-CG 4.33Å; K398-W874 HydrophobicContact CD-CH2 4.21Å; K398-W874 HydrophobicContact CD-CZ2 3.97Å; K398-W874 HydrophobicContact CD-CZ3 4.21Å; K398-W874 VanDerWaalsContact NZ-CE3 3.35Å; L871-W874 PolarHBondContact O-NE1 3.38Å; Y872-W874 PolarHBondContact O-N 3.14Å; Y872-W874 VanDerWaalsContact O-N 3.12Å
875	I	74.3	Confident	53.3	Low	40 Å²	40	80.4 Å²	80.4	21%	0.205	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	101.6	171.2	-53	-168.7	0	0	0	108.9	L353 K355 C391 Y872 E873	L353-I875 HydrophobicContact CB-CG1 4.33Å; L353-I875 HydrophobicContact CB-CG2 4.46Å; L353-I875 HydrophobicContact CD1-CD1 4.12Å; L353-I875 HydrophobicContact CD1-CG1 4.18Å; L353-I875 HydrophobicContact CG-CG1 4.5Å; K355-I875 HydrophobicContact CD-CG2 4.11Å; K355-I875 HydrophobicContact CG-CG2 4.4Å; C391-I875 HydrophobicContact CB-CD1 4.49Å; Y872-I875 PolarHBondContact O-N 3.37Å; E873-I875 PolarHBondContact O-N 2.98Å
876	S	76.3	Confident	52	Low	29 Å²	29	85.6 Å²	85.6	20%	0.203	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	168.3	-180	64.6	0	0	0	0	112.1	Q352 L353 K355	Q352-S876 PolarHBondContact NE2-OG 3.17Å; L353-S876 PolarHBondContact O-N 3.25Å; L353-S876 PolarHBondContact O-OG 3.41Å; K355-S876 PolarHBondContact N-O 3.5Å
877	V	73.9	Confident	50.7	Low	76 Å²	76	86.8 Å²	86.8	46%	0.461	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.3	174.4	-180	0	0	0	0	108	K355 Q357 Q879	K355-V877 HydrophobicContact CB-CG2 4.35Å; K355-V877 CarbonylContact O-C 3.54Å; K355-V877 WeakPolarHBondContact O-CA 3.42Å; Q357-V877 HydrophobicContact CG-CG1 3.32Å; V877-Q879 PolarHBondContact O-N 3.06Å
878	D	72.9	Confident	49.8	Very low	49 Å²	49	92.8 Å²	92.8	26%	0.262	50%	0.504	S	S	.	.			trans	-60.1	122.6	179.4	-107.3	-27.4	0	0	0	109.5	I354 K355 R376	I354-D878 HydrophobicContact CG2-CB 4.07Å; I354-D878 VanDerWaalsContact CG2-CG 3.45Å; I354-D878 WeakPolarHBondContact CG2-OD1 3.35Å; K355-D878 PolarHBondContact O-N 2.95Å; R376-D878 IonicContact CZ-OD2 3.3Å; R376-D878 IonicContact NH1-OD1 3.67Å; R376-D878 PolarHBondContact NH1-OD1 2.91Å; R376-D878 IonicContact NH1-OD2 3.49Å; R376-D878 IonicContact NH2-OD1 2.82Å; R376-D878 IonicContact NH2-OD2 3.4Å; R376-D878 PolarHBondContact NH2-OD2 2.95Å
879	Q	42.8	Very low	48.5	Very low	179 Å²	179	94.8 Å²	94.8	84%	0.836	53%	0.53	S	S	*	.			trans	-93.7	145.8	170.5	-66.9	-173.3	1	0	0	110.3	V877	V877-Q879 PolarHBondContact O-N 3.06Å
880	D	44.6	Very low	47.1	Very low	85 Å²	85	94 Å²	94	46%	0.455	54%	0.535	S	S	.	.			trans	-96.9	115.1	-159.7	-118.1	-17.3	0	0	0	114.7	R358 T882	R358-D880 VanDerWaalsContact CZ-CG 3.44Å; R358-D880 IonicContact CZ-OD1 3.68Å; R358-D880 IonicContact CZ-OD2 2.82Å; R358-D880 VanDerWaalsContact NE-CG 3.33Å; R358-D880 IonicContact NE-OD1 2.73Å; R358-D880 PolarHBondContact NE-OD1 2.93Å; R358-D880 IonicContact NE-OD2 3.31Å; R358-D880 PolarHBondContact NE-OD2 3Å; R358-D880 IonicContact NH1-OD1 3.9Å; R358-D880 IonicContact NH2-OD1 3.68Å; R358-D880 PolarHBondContact NH2-OD1 3.24Å; R358-D880 IonicContact NH2-OD2 3.59Å; R358-D880 PolarHBondContact NH2-OD2 2.88Å; D880-T882 PolarHBondContact O-N 3.47Å
881	E	33.2	Very low	45.2	Very low	170 Å²	170	102.5 Å²	102.5	79%	0.794	58%	0.578	S	S	*	*			trans	-68.8	114.5	162.3	-86.2	-88.8	133.2	0	0	110.3	S883	E881-S883 PolarHBondContact O-N 3.05Å; E881-S883 VanDerWaalsContact O-N 3.08Å
882	T	31.7	Very low	43.7	Very low	131 Å²	131	107.4 Å²	107.4	80%	0.804	61%	0.608	S	S	*	*			trans	-79	91.9	178.2	31.2	0	0	0	0	111.3	D880 G884	D880-T882 PolarHBondContact O-N 3.47Å; T882-G884 PolarHBondContact O-N 3.46Å
883	S	27.9	Very low	42.2	Very low	108 Å²	108	111.8 Å²	111.8	76%	0.755	64%	0.642	S	S	*	*			trans	-77	83.7	-170	20.5	0	0	0	0	114.2	E881	E881-S883 PolarHBondContact O-N 3.05Å; E881-S883 VanDerWaalsContact O-N 3.08Å
884	G	27.1	Very low	40.3	Very low	62 Å²	62	117.4 Å²	117.4	64%	0.639	66%	0.66	S	S	*	*			trans	-65	152.1	160.2	0	0	0	0	0	112.5	T882 K886	T882-G884 PolarHBondContact O-N 3.46Å; G884-K886 PolarHBondContact O-N 2.99Å
885	P	34.8	Very low	38.4	Very low	127 Å²	127	123.3 Å²	123.3	83%	0.825	70%	0.697	S	S	*	*	S	Bend	trans	-80.1	121	-167.4	29.4	-34.8	0	0	0	115
886	K	31.8	Very low	36	Very low	213 Å²	213	124.8 Å²	124.8	93%	0.926	72%	0.722	S	S	*	*			trans	68.5	88	155.1	-60	177	179.5	172.3	0	118.2	G884	G884-K886 PolarHBondContact O-N 2.99Å
887	G	26.6	Very low	33.6	Very low	76 Å²	76	131 Å²	131	78%	0.784	75%	0.748	S	S	*	*			trans	-126.9	126	145.8	0	0	0	0	0	110	S889	G887-S889 PolarHBondContact O-N 3.46Å
888	K	33.3	Very low	31.1	Very low	223 Å²	223	136 Å²	136	97%	0.97	77%	0.766	S	S	*	*			trans	-81.7	112.4	174.8	-79.4	-173.4	176.9	-177.5	0	110
889	S	24.6	Very low	28.7	Very low	120 Å²	120	144.7 Å²	144.7	84%	0.839	80%	0.797	S	S	*	*			trans	-135.3	145.3	156.7	-167.1	0	0	0	0	109.2	G887	G887-S889 PolarHBondContact O-N 3.46Å
890	T	24.6	Very low	27.8	Very low	122 Å²	122	142.9 Å²	142.9	75%	0.748	80%	0.798	S	S	*	*			trans	-106.4	107.8	-172.5	-49.4	0	0	0	0	109.2	V892	T890-V892 HydrophobicContact CG2-CG2 4.23Å; T890-V892 PolarHBondContact O-N 2.86Å
891	M	23.6	Very low	26.7	Very low	197 Å²	197	148.4 Å²	148.4	97%	0.97	82%	0.818	S	S	*	*			trans	-68.3	117.1	166.7	-77.6	-164.1	176.4	0	0	109.3
892	V	25.5	Very low	26.2	Very low	120 Å²	120	149.8 Å²	149.8	73%	0.727	82%	0.824	S	S	*	*			trans	-107.1	122.3	169.5	174.8	0	0	0	0	107.1	T890	T890-V892 HydrophobicContact CG2-CG2 4.23Å; T890-V892 PolarHBondContact O-N 2.86Å
893	S	25.4	Very low	25.9	Very low	115 Å²	115	149.3 Å²	149.3	80%	0.804	83%	0.826	S	S	*	*			trans	-56.7	137.8	177.4	-46.4	0	0	0	0	111.3
894	R	24.7	Very low	25.8	Very low	208 Å²	208	151 Å²	151	79%	0.785	83%	0.831	S	S	*	*			trans	-120.4	93.4	170	-89.7	-170.1	162.6	-174.8	-6.3	111.8	H897	R894-H897 PolarHBondContact NH1-NE2 3.41Å
895	V	26.4	Very low	25.6	Very low	140 Å²	140	154.6 Å²	154.6	85%	0.848	84%	0.841	S	S	*	*			trans	-67.2	150.3	146.8	176	0	0	0	0	108.3
896	G	25	Very low	25.1	Very low	71 Å²	71	159.9 Å²	159.9	73%	0.732	84%	0.844	S	S	*	*			trans	47.8	112.9	152.7	0	0	0	0	0	119.1
897	H	24.8	Very low	24.7	Very low	159 Å²	159	157.3 Å²	157.3	74%	0.736	83%	0.833	S	S	*	*			trans	-93.7	109.2	163.5	-113.1	-63.8	0	0	0	110.8	R894	R894-H897 PolarHBondContact NH1-NE2 3.41Å
898	E	21.4	Very low	24.6	Very low	181 Å²	181	160.4 Å²	160.4	85%	0.846	83%	0.827	S	S	*	*			trans	-123.4	163.5	152.7	-110.9	-161.6	149.2	0	0	110.1
899	Y	22.6	Very low	24.1	Very low	231 Å²	231	157.5 Å²	157.5	91%	0.906	82%	0.822	S	S	*	*			trans	-68.1	131.2	-168.4	-78	-100.7	0	0	0	114.3
900	V	23.7	Very low	24.1	Very low	142 Å²	142	155 Å²	155	86%	0.861	81%	0.814	S	S	*	*			trans	-139.3	139.8	150.9	-166	0	0	0	0	111.2
901	K	22.7	Very low	24.1	Very low	200 Å²	200	157.9 Å²	157.9	87%	0.87	82%	0.819	S	S	*	*			trans	-66.4	149	174.1	-64	170.7	-176.2	173.5	0	111.4
902	Q	23.1	Very low	24.1	Very low	199 Å²	199	156.1 Å²	156.1	93%	0.93	81%	0.813	S	S	*	*			trans	-71	140	167.9	-71	-178.5	-22.2	0	0	112
903	S	24	Very low	24.1	Very low	122 Å²	122	153.4 Å²	153.4	85%	0.853	81%	0.81	S	S	*	*			trans	-154	165.2	149.6	67.2	0	0	0	0	110.4
904	V	26.1	Very low	24.1	Very low	142 Å²	142	157.7 Å²	157.7	86%	0.861	81%	0.814	S	S	*	*			trans	-106.6	142.5	-161.3	176.5	0	0	0	0	112.5
905	V	22.8	Very low	24.1	Very low	139 Å²	139	153.1 Å²	153.1	84%	0.842	81%	0.809	S	S	*	*			trans	-63	133.2	178.1	174.1	0	0	0	0	112.6
906	R	24.1	Very low	24	Very low	237 Å²	237	152.2 Å²	152.2	89%	0.894	80%	0.799	S	S	*	*			trans	-146.1	81.5	159.5	-154.7	175.5	-163.8	-179.2	4.5	115.8
907	K	24.3	Very low	24.1	Very low	159 Å²	159	156.7 Å²	156.7	69%	0.691	80%	0.801	S	S	*	*			trans	75.9	130.8	130	-151.3	-168.8	-171.7	-138.1	0	121
908	Q	23.3	Very low	24.1	Very low	141 Å²	141	158.3 Å²	158.3	66%	0.659	81%	0.809	S	S	*	*			trans	81.8	134.6	148.4	-96.5	174.1	-74	0	0	122.6
909	L	24.1	Very low	24.3	Very low	163 Å²	163	153.5 Å²	153.5	85%	0.853	81%	0.807	S	S	*	*			trans	59.8	151.8	171	-85.5	55.3	0	0	0	115
910	G	23.5	Very low	24.4	Very low	66 Å²	66	149.8 Å²	149.8	68%	0.68	80%	0.798	S	S	*	*			cis	118	98.1	17.8	0	0	0	0	0	107.3
911	E	24.8	Very low	24.5	Very low	183 Å²	183	150.3 Å²	150.3	86%	0.855	79%	0.789	S	S	*	*				-173	145.9	89.8	-89.1	-176.5	125.8	0	0	108.9
912	L	24.5	Very low	24.5	Very low	160 Å²	160	147.6 Å²	147.6	84%	0.838	78%	0.784	S	S	*	*				80.6	106.9	79.7	-141.6	175.7	0	0	0	115.1
913	G	25.5	Very low	24.5	Very low	64 Å²	64	143.8 Å²	143.8	66%	0.66	78%	0.778	S	S	*	*			trans	138.5	128.1	174.7	0	0	0	0	0	111.3
914	K	25.5	Very low	24.4	Very low	205 Å²	205	145.9 Å²	145.9	89%	0.891	77%	0.772	S	S	*	*			cis	73.5	136.6	48.8	-76.2	-163.1	175.1	-172.8	0	114.1
915	V	24.3	Very low	24.3	Very low	111 Å²	111	145.6 Å²	145.6	67%	0.673	76%	0.761	S	S	*	*			cis	-168.5	154.9	-17.2	97.8	0	0	0	0	108.8
916	N	23.7	Very low	24.4	Very low	122 Å²	122	146.7 Å²	146.7	65%	0.652	76%	0.757	S	S	*	*			trans	60.4	169.6	165.7	-73.9	24.4	0	0	0	117.4
917	E	27	Very low	24.3	Very low	165 Å²	165	141.4 Å²	141.4	77%	0.771	75%	0.746	S	S	*	*			cis	-145.1	-170.5	-9.1	-134	151.5	152.9	0	0	112.3
918	E	24.5	Very low	24.4	Very low	193 Å²	193	138.2 Å²	138.2	90%	0.902	75%	0.75	S	S	*	*			trans	-71.6	162.7	-178	-52.9	178.9	136.8	0	0	114.5
919	G	25.4	Very low	24.5	Very low	79 Å²	79	136 Å²	136	81%	0.814	76%	0.755	S	S	*	*			trans	-171.9	120.1	173.7	0	0	0	0	0	113.3
920	E	25.3	Very low	24.5	Very low	153 Å²	153	140 Å²	140	72%	0.715	76%	0.759	S	S	*	*			trans	-89.4	162.9	-166.1	-52.6	-177	96.4	0	0	116.9
921	K	26.6	Very low	24.6	Very low	153 Å²	153	142 Å²	142	67%	0.665	76%	0.763	S	S	*	*			trans	81.1	140.1	137.9	-82.2	155.4	-170.6	158.6	0	123.2
922	N	22.6	Very low	24.6	Very low	144 Å²	144	142.3 Å²	142.3	77%	0.77	76%	0.761	S	S	*	*			trans	70.1	103.6	145.8	-71.2	4.2	0	0	0	122.8
923	C	22.1	Very low	24.7	Very low	118 Å²	118	141.5 Å²	141.5	80%	0.797	75%	0.753	S	S	*	*				15.2	128.4	121.3	-48.4	0	0	0	0	120.2
924	K	23.4	Very low	24.6	Very low	166 Å²	166	145 Å²	145	72%	0.722	76%	0.757	S	S	*	*				-170.8	147.1	102.8	-111.6	177.1	176.5	-81.4	0	114.6
925	E	22.6	Very low	24.5	Very low	137 Å²	137	141.4 Å²	141.4	64%	0.64	75%	0.752	S	S	*	*			trans	36.4	129	137.9	-74.6	154.1	-161.7	0	0	124.2
926	E	24.4	Very low	25.8	Very low	161 Å²	161	141 Å²	141	75%	0.752	75%	0.752	S	S	*	*				88.5	141.5	125.7	-80.1	-155.1	120.5	0	0	125.4
927	N	23.7	Very low	25.8	Very low	126 Å²	126	142.8 Å²	142.8	67%	0.674	76%	0.761	S	S	*	*			trans	75.6	93.7	141.7	-75.1	-40	0	0	0	124
928	A	25.9	Very low	25.7	Very low	93 Å²	93	138.7 Å²	138.7	77%	0.769	76%	0.764	S	S	*	*				90	173	105.3	0	0	0	0	0	121.8
929	A	25.3	Very low	25.7	Very low	93 Å²	93	138.6 Å²	138.6	77%	0.769	76%	0.763	S	S	*	*			trans	81.8	67.6	162.8	0	0	0	0	0	121.2
930	R	24.1	Very low	25.6	Very low	249 Å²	249	139.7 Å²	139.7	94%	0.94	76%	0.758	S	S	*	*				31.2	116.8	109.2	-173.9	-165.9	-158.6	-177.3	8.6	118.3
931	S	25.2	Very low	25.6	Very low	108 Å²	108	137.1 Å²	137.1	76%	0.755	76%	0.758	S	S	*	*				-167.8	139.9	129	51.1	0	0	0	0	114.7
932	K	26	Very low	25.4	Very low	189 Å²	189	138.1 Å²	138.1	82%	0.822	77%	0.768	S	S	*	*			trans	39.3	160	140.9	-67.7	-168.8	172.4	-170.9	0	122.8
933	Q	24.8	Very low	25.4	Very low	142 Å²	142	134.7 Å²	134.7	66%	0.664	77%	0.767	S	S	*	*			cis	170.2	129.2	-24.4	-178.3	-167.1	-45.3	0	0	105.8
934	D	24.3	Very low	25.5	Very low	137 Å²	137	138.9 Å²	138.9	73%	0.733	77%	0.772	S	S	*	*			trans	163.2	170.9	138.6	-82.5	-20.6	0	0	0	111.8
935	T	23.6	Very low	25.6	Very low	130 Å²	130	138.8 Å²	138.8	80%	0.798	78%	0.779	S	S	*	*			trans	-129.7	-168	-160.9	52.7	0	0	0	0	111
936	P	50.8	Low	25.7	Very low	103 Å²	103	137.1 Å²	137.1	67%	0.669	78%	0.782	S	S	*	*				-122.6	-163.7	-52.9	28.8	-8.3	0	0	0	111.6
937	D	24.7	Very low	25.7	Very low	159 Å²	159	139.6 Å²	139.6	85%	0.85	79%	0.791	S	S	*	*			trans	128.6	153	145.8	-70.8	-13.4	0	0	0	116.6
938	G	25.3	Very low	25.8	Very low	80 Å²	80	140.8 Å²	140.8	83%	0.825	80%	0.798	S	S	*	*			trans	122.6	104.6	159.3	0	0	0	0	0	116.5
939	E	23	Very low	25.8	Very low	190 Å²	190	143.9 Å²	143.9	89%	0.888	80%	0.801	S	S	*	*			trans	-83.7	134.7	-180	-67.6	-174.8	106.1	0	0	115.5
940	S	24	Very low	25.9	Very low	102 Å²	102	145.1 Å²	145.1	71%	0.713	80%	0.802	S	S	*	*			trans	76.4	145	133.5	80.6	0	0	0	0	123.7
941	S	24.2	Very low	25.8	Very low	100 Å²	100	137.6 Å²	137.6	70%	0.699	79%	0.792	S	S	*	*			trans	111.1	109.5	135.1	77.4	0	0	0	0	121.1
942	I	23.1	Very low	25.8	Very low	173 Å²	173	141.5 Å²	141.5	89%	0.887	79%	0.792	S	S	*	*			trans	56.9	107.1	135.1	-53.7	170.2	0	0	0	118.2
943	G	22.4	Very low	25.8	Very low	72 Å²	72	142.4 Å²	142.4	74%	0.742	79%	0.792	S	S	*	*			trans	-145.6	6.9	-172	0	0	0	0	0	121.2
944	K	24.5	Very low	25.8	Very low	207 Å²	207	142.7 Å²	142.7	90%	0.9	80%	0.796	S	S	*	*			trans	68.3	131.4	173.1	-58.8	175.7	178.4	176.2	0	118.9
945	N	24.9	Very low	25.9	Very low	164 Å²	164	144.6 Å²	144.6	88%	0.877	81%	0.805	S	S	*	*			trans	-70.5	148.8	168.5	-53.4	-11.5	0	0	0	111.9
946	S	25.4	Very low	26	Very low	101 Å²	101	147.4 Å²	147.4	71%	0.706	81%	0.809	S	S	*	*			trans	-162.4	101.2	132.1	-172.5	0	0	0	0	110.2
947	F	25	Very low	24.7	Very low	214 Å²	214	146 Å²	146	94%	0.939	81%	0.813	S	S	*	*			trans	-100.2	126.1	153.7	-82.9	-89.5	0	0	0	106.8
948	N	25.3	Very low	24.7	Very low	151 Å²	151	144.3 Å²	144.3	81%	0.807	81%	0.809	S	S	*	*			trans	-121.7	109.8	165.5	-87	1.7	0	0	0	107.7
949	N	25.3	Very low	24.9	Very low	157 Å²	157	146.3 Å²	146.3	84%	0.84	81%	0.807	S	S	*	*			trans	-134.2	110.8	158.4	-168.8	31.5	0	0	0	107.3
950	P	27.3	Very low	25	Very low	120 Å²	120	145.4 Å²	145.4	78%	0.779	80%	0.802	S	S	*	*			trans	-85.1	137.2	-173.9	32.9	-33.1	0	0	0	111.6
951	A	23	Very low	25.2	Very low	90 Å²	90	146.3 Å²	146.3	74%	0.744	81%	0.806	S	S	*	*			trans	-147	81.7	169.6	0	0	0	0	0	110
952	Y	24.8	Very low	25.4	Very low	191 Å²	191	147.5 Å²	147.5	75%	0.749	81%	0.814	S	S	*	*			trans	-157.6	146.2	163.9	-112.1	-72.9	0	0	0	110.8
953	Y	25.9	Very low	25.5	Very low	208 Å²	208	144.2 Å²	144.2	82%	0.816	81%	0.813	S	S	*	*			trans	67.1	142.8	-171.8	-48.3	-75	0	0	0	113.1
954	I	25.5	Very low	25.7	Very low	148 Å²	148	145.7 Å²	145.7	76%	0.759	82%	0.818	S	S	*	*			cis	-121.2	137.5	23.3	-66.7	166.3	0	0	0	112.5	E956	I954-E956 HydrophobicContact CG2-CB 3.99Å
955	L	26.4	Very low	25.9	Very low	176 Å²	176	144.2 Å²	144.2	92%	0.921	82%	0.815	S	S	*	*			trans	-111.9	106.2	152.3	-89	171	0	0	0	107.2
956	E	24.8	Very low	25.9	Very low	190 Å²	190	143.1 Å²	143.1	89%	0.888	81%	0.808	S	S	*	*			trans	-163.5	135.4	166.3	-129.1	171.2	-146.4	0	0	109.1	I954	I954-E956 HydrophobicContact CG2-CB 3.99Å
957	G	24.7	Very low	25.9	Very low	73 Å²	73	145.4 Å²	145.4	75%	0.753	81%	0.811	S	S	*	*			trans	177.3	33.8	-167.4	0	0	0	0	0	116.5
958	V	24.8	Very low	26	Very low	124 Å²	124	139.8 Å²	139.8	75%	0.752	80%	0.799	S	S	*	*			trans	-117.4	117.9	172.7	-178.8	0	0	0	0	109.1
959	P	28.3	Very low	26	Very low	121 Å²	121	137.8 Å²	137.8	79%	0.786	80%	0.797	S	S	*	*			trans	-88	111.7	-177.7	32.4	-32	0	0	0	112.1
960	H	24.9	Very low	26.9	Very low	171 Å²	171	135.4 Å²	135.4	79%	0.792	79%	0.79	S	S	*	*			trans	-107.7	124.3	164.4	-95.9	-75.4	0	0	0	111.1
961	P	29.8	Very low	26.8	Very low	122 Å²	122	136.5 Å²	136.5	79%	0.792	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-79.1	138.7	171.4	32	-32.9	0	0	0	111
962	S	27.4	Very low	26.9	Very low	124 Å²	124	137.3 Å²	137.3	87%	0.867	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-100.8	134	172	-66.7	0	0	0	0	110.9
963	A	24.2	Very low	28.2	Very low	105 Å²	105	133.1 Å²	133.1	87%	0.868	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-87.6	151.4	173.3	0	0	0	0	0	111.9
964	A	27.2	Very low	28.1	Very low	103 Å²	103	130.1 Å²	130.1	85%	0.851	79%	0.794	S	S	*	*			trans	-143.4	122.5	164.8	0	0	0	0	0	109.6
965	E	28.1	Very low	28.1	Very low	176 Å²	176	127.1 Å²	127.1	82%	0.822	79%	0.792	S	S	*	*			trans	-81.5	161.9	172.5	-102	178.4	-178.6	0	0	110.5
966	L	26.4	Very low	28.9	Very low	140 Å²	140	124.6 Å²	124.6	73%	0.733	79%	0.786	S	S	*	*			cis	-162.4	179.7	29.9	-130.2	161.2	0	0	0	110.6
967	L	25	Very low	30.3	Very low	149 Å²	149	120.5 Å²	120.5	78%	0.78	78%	0.776	S	S	*	*			trans	94.2	74.7	165.3	-55.2	178.9	0	0	0	121.7
968	S	26.8	Very low	30.5	Very low	96 Å²	96	122.7 Å²	122.7	67%	0.671	77%	0.774	S	S	*	*				42.3	107.9	124.3	63.9	0	0	0	0	124.4
969	S	25.4	Very low	30.5	Very low	110 Å²	110	125.9 Å²	125.9	77%	0.769	78%	0.778	S	S	*	*				71.3	162	124	76.4	0	0	0	0	122.3
970	P	45.3	Very low	30.5	Very low	106 Å²	106	124.4 Å²	124.4	69%	0.688	78%	0.776	S	S	*	*			cis	-137.4	-171.7	-46	39.4	-22.5	0	0	0	114.6
971	T	24.8	Very low	32	Very low	144 Å²	144	122.2 Å²	122.2	88%	0.883	78%	0.777	S	S	*	*			trans	73.9	177.3	166.1	64.5	0	0	0	0	119.9
972	S	25.6	Very low	33.6	Very low	107 Å²	107	121.8 Å²	121.8	75%	0.748	77%	0.774	S	S	*	*			trans	-146.7	-169.9	-147.5	64.2	0	0	0	0	111.7
973	P	50.3	Low	34.9	Very low	103 Å²	103	121.3 Å²	121.3	67%	0.669	77%	0.768	S	S	*	*			cis	-127.9	-166.6	-34.9	27.5	-4.9	0	0	0	112.8
974	T	25	Very low	35.4	Very low	144 Å²	144	121.9 Å²	121.9	88%	0.883	77%	0.766	S	S	*	*			trans	84.9	174	163.7	74.9	0	0	0	0	118.9
975	A	24.8	Very low	35.6	Very low	86 Å²	86	121.9 Å²	121.9	71%	0.711	77%	0.766	S	S	*	*			trans	-130.4	-172.6	-161.3	0	0	0	0	0	109.6
976	P	43.5	Very low	35.6	Very low	122 Å²	122	116.8 Å²	116.8	79%	0.792	76%	0.761	S	S	*	*			cis	-127	-105.5	4.4	24.6	3.6	0	0	0	117.5
977	P	54.6	Low	35.8	Very low	104 Å²	104	114.9 Å²	114.9	68%	0.675	77%	0.765	S	S	*	*				-137.7	-171.2	-124	46.2	-27.3	0	0	0	118.8
978	V	28.3	Very low	36.1	Very low	120 Å²	120	118.8 Å²	118.8	73%	0.727	77%	0.769	S	S	*	*			trans	93	117.7	149.7	163.9	0	0	0	0	121.9
979	K	26	Very low	36.2	Very low	191 Å²	191	119.9 Å²	119.9	83%	0.83	77%	0.772	S	S	*	*			trans	60.9	113.8	145.6	-73.8	176.4	-174.9	175	0	125
980	A	28.3	Very low	36.5	Very low	90 Å²	90	124.1 Å²	124.1	74%	0.744	78%	0.777	S	S	*	*				79.3	166.4	109.9	0	0	0	0	0	120.7
981	P	54.8	Low	37.2	Very low	124 Å²	124	124.5 Å²	124.5	81%	0.805	78%	0.779	S	S	*	*				-143.8	-133.6	-109.1	45.3	-19	0	0	0	115.9
982	P	64.1	Low	39.1	Very low	114 Å²	114	123 Å²	123	74%	0.74	77%	0.772	S	S	*	*			trans	-134.1	178.1	-135.1	41.5	-18.1	0	0	0	118.3
983	P	54.6	Low	40.9	Very low	114 Å²	114	123.6 Å²	123.6	74%	0.74	77%	0.773	S	S	*	*			trans	-145.1	149.6	157.3	38.8	-22.8	0	0	0	117.8
984	S	34.1	Very low	40	Very low	116 Å²	116	123.9 Å²	123.9	81%	0.811	78%	0.784	S	S	*	*			trans	65	153.7	143.2	60.4	0	0	0	0	121.9
985	A	32.7	Very low	40.2	Very low	104 Å²	104	121.8 Å²	121.8	86%	0.86	78%	0.781	S	S	*	*			cis	-173.9	177.4	-16	0	0	0	0	0	108.2
986	G	27	Very low	40.5	Very low	69 Å²	69	123.8 Å²	123.8	71%	0.711	79%	0.79	S	S	*	*			cis	161.9	163.2	-6	0	0	0	0	0	112.4
987	A	31.3	Very low	39.7	Very low	99 Å²	99	120.8 Å²	120.8	82%	0.818	78%	0.781	S	S	*	*			trans	68.2	147.1	175	0	0	0	0	0	117.3
988	R	30.1	Very low	39.8	Very low	232 Å²	232	121.9 Å²	121.9	88%	0.875	79%	0.788	S	S	*	*			cis	107.2	138.4	19.8	-77.3	-173.6	179.3	-173.5	0.7	113.2
989	T	30	Very low	40.1	Very low	119 Å²	119	120.1 Å²	120.1	73%	0.73	79%	0.786	S	S	*	*			cis	-177.1	142.1	-11.8	28.6	0	0	0	0	112.6
990	K	32	Very low	40.4	Very low	199 Å²	199	119.3 Å²	119.3	87%	0.865	79%	0.785	S	S	*	*			trans	68.2	171	148.4	-102.3	-173	177.7	-174.1	0	119.8
991	P	58.8	Low	40.5	Very low	113 Å²	113	119.5 Å²	119.5	73%	0.734	78%	0.781	S	S	*	*			cis	-136.2	-132.4	-14.8	39.4	-14.6	0	0	0	115.2
992	P	65.2	Low	39.3	Very low	113 Å²	113	124.7 Å²	124.7	73%	0.734	79%	0.785	S	S	*	*			trans	-130.1	-135.5	-134.7	41.2	-13.2	0	0	0	111.5
993	P	63.2	Low	37.6	Very low	120 Å²	120	129.7 Å²	129.7	78%	0.779	79%	0.789	S	S	*	*			cis	-130.6	-179.5	-24.1	37	-17.8	0	0	0	115.5
994	A	31.4	Very low	36.3	Very low	108 Å²	108	129.3 Å²	129.3	89%	0.893	79%	0.785	S	S	*	*			trans	-146.8	-157.4	162.9	0	0	0	0	0	113
995	A	30.1	Very low	36	Very low	101 Å²	101	130 Å²	130	84%	0.835	78%	0.783	S	S	*	*			trans	-140.7	-178.1	-151	0	0	0	0	0	112.9
996	S	31.5	Very low	35.8	Very low	127 Å²	127	131.3 Å²	131.3	89%	0.888	78%	0.781	S	S	*	*			cis	-141.9	-100.8	7.3	60.4	0	0	0	0	115.3
997	G	25.4	Very low	35.9	Very low	59 Å²	59	133 Å²	133	61%	0.608	79%	0.788	S	S	*	*			trans	159.8	-167.5	-175.7	0	0	0	0	0	113.4
998	P	57	Low	35.7	Very low	127 Å²	127	132 Å²	132	83%	0.825	79%	0.787	S	S	*	*			cis	-146.1	178.7	9.9	44	-25.2	0	0	0	119
999	A	34.3	Very low	35.6	Very low	83 Å²	83	130.2 Å²	130.2	69%	0.686	79%	0.788	S	S	*	*			trans	67.9	150.5	145	0	0	0	0	0	122.5
1000	H	33.5	Very low	36.4	Very low	174 Å²	174	130 Å²	130	81%	0.806	79%	0.789	S	S	*	*			cis	-164.4	136.8	-13.8	-111.7	-47.2	0	0	0	115.7
1001	S	30.5	Very low	36.2	Very low	95 Å²	95	124.7 Å²	124.7	66%	0.664	78%	0.782	S	S	*	*			trans	67.5	123.9	133.3	-60.6	0	0	0	0	127.9
1002	R	28.9	Very low	34.8	Very low	232 Å²	232	131 Å²	131	88%	0.875	79%	0.792	S	S	*	*				90.7	117.1	125.1	-84.4	-175.6	176.5	-179	1	126.3
1003	R	28	Very low	32.9	Very low	219 Å²	219	128.8 Å²	128.8	83%	0.826	79%	0.789	S	S	*	*				83	119.2	122.8	-120.4	-162.2	-177.9	177.4	-0.7	125.1
1004	T	27.5	Very low	31.3	Very low	107 Å²	107	129.1 Å²	129.1	66%	0.656	79%	0.789	S	S	*	*			trans	64.9	119.9	133.1	46.1	0	0	0	0	126.4
1005	V	27.6	Very low	31.1	Very low	129 Å²	129	128.4 Å²	128.4	78%	0.782	78%	0.777	S	S	*	*				87.8	122.5	118.6	168.3	0	0	0	0	123.9
1006	V	29.3	Very low	31	Very low	133 Å²	133	131.7 Å²	131.7	81%	0.806	78%	0.775	S	S	*	*			trans	83.9	122.7	146	157.3	0	0	0	0	124.7
1007	A	28.8	Very low	30.8	Very low	105 Å²	105	133.9 Å²	133.9	87%	0.868	77%	0.772	S	S	*	*			trans	46.8	145.6	144	0	0	0	0	0	126
1008	G	25.7	Very low	30.8	Very low	77 Å²	77	135 Å²	135	79%	0.794	77%	0.77	S	S	*	*			trans	174.2	129.7	162.2	0	0	0	0	0	114.4
1009	H	28.8	Very low	29.5	Very low	194 Å²	194	134 Å²	134	90%	0.898	77%	0.766	S	S	*	*			trans	-112.5	-175.9	172.2	-97.9	-48.6	0	0	0	109.2
1010	P	46.5	Very low	29.2	Very low	115 Å²	115	133.8 Å²	133.8	75%	0.747	76%	0.76	S	S	*	*			cis	-142.1	-171.4	13.4	44.7	-25.3	0	0	0	117.5
1011	A	28.3	Very low	29	Very low	88 Å²	88	133.6 Å²	133.6	73%	0.727	76%	0.759	S	S	*	*			trans	58.9	135.8	152.3	0	0	0	0	0	120.8
1012	R	28.7	Very low	29	Very low	245 Å²	245	135.9 Å²	135.9	93%	0.925	76%	0.764	S	S	*	*			cis	83.5	122.1	35.4	-166.1	-173.7	-165.8	-176.5	5.5	112.6
1013	G	26.9	Very low	29.1	Very low	66 Å²	66	132.1 Å²	132.1	68%	0.68	76%	0.761	S	S	*	*			cis	164.5	-153.7	-3.5	0	0	0	0	0	111.7
1014	V	27.9	Very low	29.1	Very low	127 Å²	127	124.8 Å²	124.8	77%	0.77	75%	0.754	S	S	*	*			trans	86.2	137.4	158.6	-169.5	0	0	0	0	118.9
1015	S	27	Very low	29.1	Very low	94 Å²	94	123.7 Å²	123.7	66%	0.657	76%	0.763	S	S	*	*			trans	57.3	153.2	157.9	65.7	0	0	0	0	120.6
1016	E	28.4	Very low	29	Very low	170 Å²	170	121.3 Å²	121.3	79%	0.794	77%	0.765	S	S	*	*			cis	-156.8	-177.7	-12.3	-117.6	157.3	178.5	0	0	110.2
1017	E	27.6	Very low	29	Very low	173 Å²	173	119.1 Å²	119.1	81%	0.808	76%	0.761	S	S	*	*			trans	19.5	153.7	145.3	-69.3	-158.4	142.6	0	0	122.7
1018	S	26.2	Very low	28.9	Very low	82 Å²	82	120.1 Å²	120.1	57%	0.573	76%	0.756	S	S	*	*			cis	-176.5	168.1	-7.9	49.1	0	0	0	0	108.9
1019	S	28.1	Very low	28.9	Very low	106 Å²	106	124 Å²	124	74%	0.741	76%	0.758	S	S	*	*			trans	58.7	160.1	158.9	33.2	0	0	0	0	118.9
1020	S	28	Very low	28.9	Very low	79 Å²	79	119.6 Å²	119.6	55%	0.552	76%	0.756	S	S	*	*			cis	-167.6	170.2	-24.5	48.5	0	0	0	0	107.1
1021	E	29.9	Very low	28	Very low	169 Å²	169	117.9 Å²	117.9	79%	0.79	76%	0.759	S	S	*	*			trans	61.3	149.6	146.4	-72.3	146.5	170.2	0	0	120.2
1022	D	30.9	Very low	28.1	Very low	143 Å²	143	117.8 Å²	117.8	77%	0.765	76%	0.758	S	S	*	*			cis	-158.3	165	-29.8	-149.3	-8.7	0	0	0	110.5
1023	D	31.1	Very low	28	Very low	153 Å²	153	115.4 Å²	115.4	82%	0.818	76%	0.757	S	S	*	*			trans	56.4	175.3	145.8	-146.7	-0.6	0	0	0	121.1
1024	G	27.3	Very low	28	Very low	66 Å²	66	116.1 Å²	116.1	68%	0.68	76%	0.764	S	S	*	*			trans	109	59.2	155.4	0	0	0	0	0	117.5
1025	G	26.9	Very low	28.1	Very low	83 Å²	83	114.1 Å²	114.1	86%	0.856	77%	0.77	S	S	*	*			trans	-69.3	170.5	171.7	0	0	0	0	0	114.5
1026	G	27.3	Very low	28.1	Very low	79 Å²	79	113 Å²	113	81%	0.814	77%	0.773	S	S	*	*			trans	169.1	65.4	179	0	0	0	0	0	118.7
1027	A	27.9	Very low	28.1	Very low	88 Å²	88	113.2 Å²	113.2	73%	0.727	78%	0.778	S	S	*	*			trans	40.2	131.4	142.4	0	0	0	0	0	123.3
1028	T	26.6	Very low	28.1	Very low	125 Å²	125	108.9 Å²	108.9	77%	0.767	78%	0.779	S	S	*	*			trans	83.2	124.9	133.1	47.9	0	0	0	0	124.4
1029	L	27.2	Very low	28.2	Very low	158 Å²	158	107.8 Å²	107.8	83%	0.827	78%	0.781	S	S	*	*			trans	90.7	121.3	131.8	-76.1	166.6	0	0	0	122.6
1030	A	28.7	Very low	28.3	Very low	103 Å²	103	109.6 Å²	109.6	85%	0.851	79%	0.788	S	S	*	*			trans	68.7	149.7	143.6	0	0	0	0	0	120
1031	G	27.6	Very low	28.4	Very low	78 Å²	78	112.8 Å²	112.8	80%	0.804	80%	0.804	S	S	*	*			trans	145.5	86.6	164.8	0	0	0	0	0	115.7
1032	A	28.9	Very low	28.3	Very low	86 Å²	86	107.6 Å²	107.6	71%	0.711	80%	0.796	S	S	*	*			trans	-50.2	155	178.2	0	0	0	0	0	118
1033	Q	26.8	Very low	28.2	Very low	195 Å²	195	106.2 Å²	106.2	91%	0.911	80%	0.798	S	S	*	*			trans	55	122.1	141.8	-67.7	174.8	9.1	0	0	121.2
1034	G	28.3	Very low	28.1	Very low	81 Å²	81	104.4 Å²	104.4	84%	0.835	79%	0.792	S	S	*	*				117.7	123	120.2	0	0	0	0	0	118.9
1035	G	28.4	Very low	28.1	Very low	85 Å²	85	108 Å²	108	88%	0.876	80%	0.795	S	S	*	*			trans	84.5	91.3	137.7	0	0	0	0	0	120.2
1036	G	26.8	Very low	28.2	Very low	70 Å²	70	111.1 Å²	111.1	72%	0.722	79%	0.792	S	S	*	*				100.3	126.6	114.3	0	0	0	0	0	121.1
1037	I	28.4	Very low	28.2	Very low	175 Å²	175	119 Å²	119	90%	0.897	80%	0.797	S	S	*	*			trans	63.9	97.6	137.4	-47.6	171.5	0	0	0	118.5
1038	G	28.9	Very low	28.5	Very low	82 Å²	82	120.6 Å²	120.6	85%	0.845	80%	0.8	S	S	*	*			trans	78	144.3	143.6	0	0	0	0	0	118.2
1039	G	28.7	Very low	28.8	Very low	60 Å²	60	120.2 Å²	120.2	62%	0.619	80%	0.8	S	S	*	*			cis	149.3	127.5	-10.4	0	0	0	0	0	113.7
1040	T	28.9	Very low	29.4	Very low	144 Å²	144	118.5 Å²	118.5	88%	0.883	80%	0.798	S	S	*	*			trans	67.2	149.1	172.6	78.9	0	0	0	0	114.9
1041	V	31.1	Very low	29.7	Very low	145 Å²	145	120.7 Å²	120.7	88%	0.879	80%	0.796	S	S	*	*			cis	-138.8	150.2	1.3	-179.8	0	0	0	0	106.2
1042	G	28.4	Very low	29.7	Very low	61 Å²	61	126.9 Å²	126.9	63%	0.629	80%	0.801	S	S	*	*			cis	162.1	-164.4	0.1	0	0	0	0	0	110.6
1043	S	29	Very low	29.9	Very low	114 Å²	114	127.9 Å²	127.9	80%	0.797	80%	0.8	S	S	*	*			trans	74.7	133.5	-177.1	-130.1	0	0	0	0	114.7
1044	T	27.8	Very low	30.1	Very low	115 Å²	115	124.1 Å²	124.1	71%	0.706	79%	0.793	S	S	*	*			cis	-156.6	162.2	-1	-14.6	0	0	0	0	113.2
1045	L	27.3	Very low	30.3	Very low	142 Å²	142	125.6 Å²	125.6	74%	0.743	79%	0.788	S	S	*	*			trans	82.2	129.4	154.6	-68.2	162.3	0	0	0	121.6
1046	N	29.3	Very low	30.4	Very low	148 Å²	148	127.6 Å²	127.6	79%	0.791	79%	0.785	S	S	*	*			trans	60.6	112.8	145.6	-58.6	-10.3	0	0	0	121.4
1047	R	28.1	Very low	30.9	Very low	244 Å²	244	131.7 Å²	131.7	92%	0.921	79%	0.789	S	S	*	*			trans	-111	148.5	157.8	-80.9	-173.8	171.4	-165.2	-3	111
1048	P	33.8	Very low	31.2	Very low	121 Å²	121	129.2 Å²	129.2	79%	0.786	79%	0.785	S	S	*	*			trans	-90.2	168.3	166	38.1	-35.1	0	0	0	112.7
1049	P	31.6	Very low	31.6	Very low	118 Å²	118	135.5 Å²	135.5	77%	0.766	79%	0.789	S	S	*	*			trans	-137.7	167.4	152.5	39.5	-27.3	0	0	0	113.4
1050	P	41.1	Very low	31.7	Very low	121 Å²	121	136.3 Å²	136.3	79%	0.786	80%	0.797	S	S	*	*			cis	-127.1	177.8	-29.8	39	-23.5	0	0	0	112.8
1051	D	34.5	Very low	31.7	Very low	150 Å²	150	134.1 Å²	134.1	80%	0.802	79%	0.794	S	S	*	*			trans	-80.5	157.9	-173.3	-44	-93.5	0	0	0	116.1
1052	F	27.3	Very low	31.5	Very low	207 Å²	207	135.2 Å²	135.2	91%	0.908	79%	0.793	S	S	*	*			trans	-159.3	168.3	146	-107.8	-61.5	0	0	0	110.2
1053	P	32.7	Very low	31.5	Very low	107 Å²	107	141.5 Å²	141.5	70%	0.695	81%	0.806	S	S	*	*	P	Polyproline II helix		-81.2	161.4	-121.2	38.9	-35	0	0	0	115.9
1054	P	32.6	Very low	31.5	Very low	117 Å²	117	142.8 Å²	142.8	76%	0.76	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-72.7	153.4	172	31.8	-35.9	0	0	0	112.8
1055	P	31.1	Very low	31.5	Very low	112 Å²	112	142.1 Å²	142.1	73%	0.727	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-71.4	160.2	174.7	31.2	-35.8	0	0	0	112.6
1056	P	30.7	Very low	31.5	Very low	126 Å²	126	140.2 Å²	140.2	82%	0.818	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-71	136.1	-175.9	28.8	-35.2	0	0	0	112.9
1057	L	38.4	Very low	31.4	Very low	156 Å²	156	137.5 Å²	137.5	82%	0.817	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-80.3	141.7	169.4	-68.1	169.5	0	0	0	110.7
1058	P	34.7	Very low	31.3	Very low	124 Å²	124	135 Å²	135	81%	0.805	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-57.3	139.3	167.3	-23.2	34.1	0	0	0	111.4
1059	K	36.1	Very low	30.9	Very low	214 Å²	214	133.5 Å²	133.5	93%	0.93	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-87	133.5	178.8	-73.2	-175.4	176.8	-179.8	0	111.6
1060	G	31.3	Very low	30.6	Very low	76 Å²	76	136.9 Å²	136.9	78%	0.784	82%	0.821	S	S	*	*			trans	124.9	129.9	173.2	0	0	0	0	0	111.8
1061	A	28	Very low	29.9	Very low	99 Å²	99	139.2 Å²	139.2	82%	0.818	83%	0.826	S	S	*	*			cis	-154.5	152.4	-9.7	0	0	0	0	0	109.6
1062	L	28.5	Very low	29.4	Very low	167 Å²	167	137.9 Å²	137.9	87%	0.874	83%	0.829	S	S	*	*			trans	-159.1	114.2	164.7	-154.4	90.2	0	0	0	110.9
1063	E	27.9	Very low	29.3	Very low	193 Å²	193	137.7 Å²	137.7	90%	0.902	83%	0.827	S	S	*	*			trans	-168.4	106.9	142.8	-118.2	174.2	-153.3	0	0	110.7
1064	T	29.4	Very low	29.6	Very low	141 Å²	141	137.8 Å²	137.8	87%	0.865	83%	0.828	S	S	*	*			trans	-148.8	111.1	167.9	37.7	0	0	0	0	109.8
1065	A	28	Very low	29.2	Very low	101 Å²	101	143.8 Å²	143.8	84%	0.835	84%	0.835	S	S	*	*			trans	-165.2	144.6	163	0	0	0	0	0	112
1066	A	26.2	Very low	28.9	Very low	103 Å²	103	142.7 Å²	142.7	85%	0.851	83%	0.831	S	S	*	*			trans	65.7	141.5	167.7	0	0	0	0	0	118.4
1067	A	27.9	Very low	28.6	Very low	91 Å²	91	143.9 Å²	143.9	75%	0.752	83%	0.829	S	S	*	*			cis	-158.8	160.5	-19.3	0	0	0	0	0	111.3
1068	E	25.6	Very low	28.1	Very low	191 Å²	191	146.3 Å²	146.3	89%	0.893	83%	0.829	S	S	*	*			trans	-9	134.3	165	-51.3	178.3	135.9	0	0	119.8
1069	A	25.7	Very low	28.3	Very low	89 Å²	89	146.6 Å²	146.6	74%	0.736	83%	0.831	S	S	*	*				166.3	130.2	102.4	0	0	0	0	0	116.4
1070	Q	24.3	Very low	27.8	Very low	190 Å²	190	143 Å²	143	89%	0.888	82%	0.822	S	S	*	*			trans	67.6	154.4	150.5	-62.8	-172.8	9.5	0	0	122
1071	L	26.3	Very low	27.9	Very low	170 Å²	170	146.1 Å²	146.1	89%	0.89	82%	0.82	S	S	*	*			trans	-103.4	148.4	-174.4	-64.8	81.4	0	0	0	112.4
1072	S	24.5	Very low	28	Very low	122 Å²	122	145.9 Å²	145.9	85%	0.853	82%	0.818	S	S	*	*			trans	-166.5	149.7	132.6	41.9	0	0	0	0	113.9
1073	K	25.9	Very low	27.9	Very low	203 Å²	203	146.5 Å²	146.5	88%	0.883	82%	0.816	S	S	*	*			trans	-135.8	171.5	164.3	-73.2	-175.8	176.8	176.8	0	105.6
1074	P	38.9	Very low	27.8	Very low	109 Å²	109	143.2 Å²	143.2	71%	0.708	81%	0.809	S	S	*	*			cis	-142.2	174.9	10.3	42.8	-25.1	0	0	0	117.6
1075	R	24	Very low	27.6	Very low	242 Å²	242	146.9 Å²	146.9	91%	0.913	81%	0.807	S	S	*	*			trans	66.3	159.3	146.6	-89.4	-175.7	172.4	164.9	-2	118.6
1076	S	24.1	Very low	27.8	Very low	90 Å²	90	149.3 Å²	149.3	63%	0.629	80%	0.804	S	S	*	*			cis	-168.2	171.8	-4.5	49.7	0	0	0	0	113.8
1077	L	24.3	Very low	28.5	Very low	151 Å²	151	149.9 Å²	149.9	79%	0.791	80%	0.799	S	S	*	*			trans	84.8	123.8	152.4	-68.1	171.5	0	0	0	121.5
1078	Y	28.6	Very low	29.3	Very low	207 Å²	207	151.8 Å²	151.8	81%	0.812	80%	0.804	S	S	*	*			trans	17.3	147.1	132	-79.6	-77.3	0	0	0	122.1
1079	P	39	Very low	29.5	Very low	130 Å²	130	147.8 Å²	147.8	84%	0.844	80%	0.804	S	S	*	*				-139.3	179	93.7	41	-29.3	0	0	0	115.8
1080	D	26.3	Very low	29.6	Very low	137 Å²	137	147 Å²	147	73%	0.733	80%	0.804	S	S	*	*			trans	-144.5	171	176.2	-175.9	24.4	0	0	0	110.5
1081	L	32.2	Very low	30.6	Very low	142 Å²	142	144.2 Å²	144.2	74%	0.743	80%	0.803	S	S	*	*			trans	84	100.8	165.1	-57.3	-179.4	0	0	0	121.6
1082	A	29.9	Very low	30.7	Very low	94 Å²	94	141.2 Å²	141.2	78%	0.777	80%	0.802	S	S	*	*				71.4	135.6	110.6	0	0	0	0	0	124.5
1083	E	26.6	Very low	30.8	Very low	180 Å²	180	138.7 Å²	138.7	84%	0.841	80%	0.796	S	S	*	*				-165.6	127.4	127.6	-101.6	-167.4	161.3	0	0	109
1084	V	26.6	Very low	31.8	Very low	125 Å²	125	134.5 Å²	134.5	76%	0.758	79%	0.79	S	S	*	*				80.4	134.7	78.4	164.5	0	0	0	0	114.5
1085	R	25.2	Very low	31.2	Very low	217 Å²	217	137 Å²	137	82%	0.819	80%	0.796	S	S	*	*			cis	-172.7	133.8	-16.7	-177.3	177.3	-165.6	164.8	3.9	114
1086	I	32.7	Very low	31.6	Very low	152 Å²	152	130.4 Å²	130.4	78%	0.779	78%	0.782	S	S	*	*			trans	1	133.4	146.3	-61.2	163.6	0	0	0	118.6
1087	P	39.5	Very low	31.7	Very low	115 Å²	115	134.8 Å²	134.8	75%	0.747	80%	0.795	S	S	*	*				-160.6	-175.4	92.8	42.7	-22.7	0	0	0	117.9
1088	P	45.3	Very low	31.9	Very low	132 Å²	132	130.8 Å²	130.8	86%	0.857	79%	0.791	S	S	*	*			cis	-126.1	-149.4	-32.6	32	-9.7	0	0	0	112.7
1089	A	30.2	Very low	32	Very low	106 Å²	106	128.9 Å²	128.9	88%	0.876	80%	0.795	S	S	*	*			trans	-140.9	161.1	-163.4	0	0	0	0	0	118.5
1090	G	28.5	Very low	31.6	Very low	73 Å²	73	125.5 Å²	125.5	75%	0.753	78%	0.783	S	S	*	*			trans	83.1	173.5	161.9	0	0	0	0	0	117.9
1091	P	44.9	Very low	31.6	Very low	132 Å²	132	126.9 Å²	126.9	86%	0.857	78%	0.783	S	S	*	*			cis	-140.7	-174.2	-12.8	43.3	-25.6	0	0	0	116.1
1092	A	28.2	Very low	31.7	Very low	106 Å²	106	129.8 Å²	129.8	88%	0.876	78%	0.784	S	S	*	*			trans	75.7	159.2	155.3	0	0	0	0	0	122.6
1093	G	26.9	Very low	31.8	Very low	70 Å²	70	136.1 Å²	136.1	72%	0.722	79%	0.788	S	S	*	*			trans	-109.7	-144.4	173.6	0	0	0	0	0	112.4
1094	P	45.4	Very low	31.9	Very low	115 Å²	115	131.1 Å²	131.1	75%	0.747	79%	0.785	S	S	*	*			cis	-145.7	-168.7	4.5	43.2	-22	0	0	0	117
1095	L	27.6	Very low	32	Very low	161 Å²	161	130.1 Å²	130.1	84%	0.843	79%	0.79	S	S	*	*			trans	69.9	160.8	161.1	-57	172.7	0	0	0	117.8
1096	V	30.8	Very low	32.3	Very low	103 Å²	103	124.8 Å²	124.8	62%	0.624	79%	0.792	S	S	*	*			cis	-159.5	151.2	-0.5	105.1	0	0	0	0	113.9
1097	M	27.8	Very low	32	Very low	182 Å²	182	121.2 Å²	121.2	90%	0.897	79%	0.792	S	S	*	*			trans	49.4	153.7	157.5	-64.8	168.9	-168.7	0	0	122.9
1098	G	28.7	Very low	31.6	Very low	68 Å²	68	119.8 Å²	119.8	70%	0.701	79%	0.79	S	S	*	*			cis	171	171.3	-6.1	0	0	0	0	0	115.9
1099	D	30.1	Very low	31	Very low	167 Å²	167	120.8 Å²	120.8	89%	0.893	79%	0.788	S	S	*	*			trans	57	145.6	168.2	-72.7	-24.9	0	0	0	122.3
1100	G	29.5	Very low	31.1	Very low	58 Å²	58	122 Å²	122	60%	0.598	78%	0.779	S	S	*	*			cis	172.5	-179.7	-6.1	0	0	0	0	0	116.2
1101	F	28.2	Very low	31.2	Very low	167 Å²	167	125.1 Å²	125.1	73%	0.732	78%	0.779	S	S	*	*			trans	76.5	103.3	172.4	-67.6	-98.3	0	0	0	118.4
1102	R	32.7	Very low	30.4	Very low	203 Å²	203	126.4 Å²	126.4	77%	0.766	77%	0.773	S	S	*	*				84.2	141.6	80.5	-80.2	-170.5	-166.6	-175.4	1.9	113.4
1103	R	33.2	Very low	30.5	Very low	226 Å²	226	126 Å²	126	85%	0.853	77%	0.765	S	S	*	*			cis	-154	127.2	8.6	-138.7	177.7	-176	-179.6	-1.1	106
1104	G	27.4	Very low	30.5	Very low	76 Å²	76	128.5 Å²	128.5	78%	0.784	77%	0.769	S	S	*	*				102	157	76	0	0	0	0	0	110.4
1105	A	30	Very low	29.8	Very low	104 Å²	104	128.3 Å²	128.3	86%	0.86	77%	0.771	S	S	*	*			cis	-179.5	159.3	-13	0	0	0	0	0	106.3
1106	A	30.8	Very low	29.9	Very low	105 Å²	105	127 Å²	127	87%	0.868	77%	0.769	S	S	*	*			cis	-168.3	169.1	-16.9	0	0	0	0	0	105.5
1107	G	27.4	Very low	29.7	Very low	76 Å²	76	129.5 Å²	129.5	78%	0.784	78%	0.778	S	S	*	*			cis	-157.9	-125	2.7	0	0	0	0	0	107.1
1108	A	30.7	Very low	29.9	Very low	86 Å²	86	130 Å²	130	71%	0.711	78%	0.778	S	S	*	*			cis	175.7	120.9	-29.3	0	0	0	0	0	109.4
1109	L	32.5	Very low	29.8	Very low	153 Å²	153	134.8 Å²	134.8	80%	0.801	78%	0.784	S	S	*	*			trans	62.9	149	134.6	-51.8	-178.2	0	0	0	119.9
1110	D	31.7	Very low	29.6	Very low	131 Å²	131	131.2 Å²	131.2	70%	0.701	78%	0.778	S	S	*	*			cis	-159.1	141.3	-9.3	-94	-23	0	0	0	106.9
1111	D	31.3	Very low	29.6	Very low	138 Å²	138	137.8 Å²	137.8	74%	0.738	79%	0.79	S	S	*	*				83.8	155.3	81.7	-161.1	30.5	0	0	0	116.8
1112	Q	28.5	Very low	29.8	Very low	159 Å²	159	135.2 Å²	135.2	74%	0.743	79%	0.788	S	S	*	*			trans	89.6	94.1	164.5	-52.8	-160.3	-0.1	0	0	123
1113	S	29.3	Very low	29.6	Very low	99 Å²	99	131.9 Å²	131.9	69%	0.692	79%	0.785	S	S	*	*				60.2	128.9	120	72.1	0	0	0	0	125.9
1114	C	27.2	Very low	29.4	Very low	121 Å²	121	126.1 Å²	126.1	82%	0.818	78%	0.779	S	S	*	*			trans	88.1	141.6	131.4	-74	0	0	0	0	125.3
1115	S	30.6	Very low	29.7	Very low	112 Å²	112	130.2 Å²	130.2	78%	0.783	78%	0.778	S	S	*	*			trans	65.9	92	150	45.2	0	0	0	0	123
1116	V	28.6	Very low	29.7	Very low	132 Å²	132	129.9 Å²	129.9	80%	0.8	77%	0.769	S	S	*	*				14.2	136.5	124.4	-177.6	0	0	0	0	120.6
1117	L	28.1	Very low	29.5	Very low	156 Å²	156	132.9 Å²	132.9	82%	0.817	77%	0.765	S	S	*	*			trans	73.6	89.1	159.4	-82.9	168.2	0	0	0	120.7
1118	Q	30.8	Very low	29.9	Very low	192 Å²	192	138 Å²	138	90%	0.897	77%	0.767	S	S	*	*			trans	-155.3	-177.6	130.8	-122.6	174	-6.9	0	0	112.6
1119	M	26.6	Very low	31.1	Very low	170 Å²	170	140.1 Å²	140.1	84%	0.837	77%	0.773	S	S	*	*			trans	-119.3	146.2	-150.1	-48.8	178.6	-165.8	0	0	116.8
1120	A	27.7	Very low	30.8	Very low	91 Å²	91	136 Å²	136	75%	0.752	77%	0.767	S	S	*	*			trans	70.1	131.8	138.3	0	0	0	0	0	123.7
1121	K	29.3	Very low	30.7	Very low	196 Å²	196	138.6 Å²	138.6	85%	0.852	78%	0.775	S	S	*	*			trans	56.5	143.7	135.4	-90.6	-166.1	170.2	-174.8	0	121.1
1122	T	32.2	Very low	32.1	Very low	114 Å²	114	136.7 Å²	136.7	70%	0.699	77%	0.77	S	S	*	*			cis	-152.7	-143.1	-11.4	-15.9	0	0	0	0	107.5
1123	L	27.9	Very low	33.6	Very low	133 Å²	133	134 Å²	134	70%	0.696	77%	0.767	S	S	*	*			cis	-160.8	146.3	0.5	-139.8	-175.9	0	0	0	109.4	E1125	L1123-E1125 HydrophobicContact CD2-CG 4.28Å
1124	S	28.5	Very low	33.5	Very low	105 Å²	105	141.1 Å²	141.1	73%	0.734	78%	0.778	S	S	*	*			trans	-179.9	98.9	155.4	-177.2	0	0	0	0	107.3
1125	E	33.3	Very low	33.9	Very low	162 Å²	162	139.7 Å²	139.7	76%	0.757	78%	0.775	S	S	*	*				75.7	131.3	78.7	-71.3	178.1	-172.6	0	0	113.6	L1123	L1123-E1125 HydrophobicContact CD2-CG 4.28Å
1126	S	29.9	Very low	35.1	Very low	96 Å²	96	140 Å²	140	67%	0.671	78%	0.775	S	S	*	*			cis	-141.3	-169.6	-3.6	62.4	0	0	0	0	109.7
1127	E	26.7	Very low	35.1	Very low	169 Å²	169	139.6 Å²	139.6	79%	0.79	78%	0.777	S	S	*	*			cis	-156.6	-153.8	8.7	-146.5	150.3	117.6	0	0	112
1128	F	36.8	Very low	35.3	Very low	184 Å²	184	136.5 Å²	136.5	81%	0.807	78%	0.775	S	S	*	*			trans	-156.4	178.1	-178.3	-113.5	-69.6	0	0	0	109.3
1129	P	55.1	Low	36.5	Very low	130 Å²	130	133.4 Å²	133.4	84%	0.844	77%	0.771	S	S	*	*				-151.1	169.7	53	40.9	-18.5	0	0	0	119.2
1130	G	26.7	Very low	38.3	Very low	66 Å²	66	130.6 Å²	130.6	68%	0.68	77%	0.766	S	S	*	*			trans	163.8	122.2	165.4	0	0	0	0	0	114.9
1131	Q	29.1	Very low	39.5	Very low	185 Å²	185	132.4 Å²	132.4	86%	0.864	77%	0.77	S	S	*	*			trans	-166.5	-179.4	-173.2	-112.4	-158.6	20.1	0	0	110.4
1132	P	61.7	Low	39.6	Very low	99 Å²	99	129.6 Å²	129.6	64%	0.643	77%	0.769	S	S	*	*			cis	-131.1	-130	-33.6	37.2	-15.7	0	0	0	109
1133	P	58.8	Low	39.3	Very low	102 Å²	102	135.9 Å²	135.9	66%	0.662	78%	0.78	S	S	*	*			cis	-135	162.7	-33.7	35.7	-18.3	0	0	0	116.9
1134	R	29	Very low	39.2	Very low	248 Å²	248	133.7 Å²	133.7	94%	0.936	78%	0.781	S	S	*	*				173.9	164.9	121.9	-97.4	175.2	171.9	169.2	-1.5	114.4
1135	A	35.4	Very low	40.5	Very low	92 Å²	92	133.8 Å²	133.8	76%	0.76	78%	0.779	S	S	*	*			trans	-153.8	-161.5	-176.4	0	0	0	0	0	108.6
1136	P	55.3	Low	40.3	Very low	119 Å²	119	131.8 Å²	131.8	77%	0.773	78%	0.778	S	S	*	*			cis	-142	-157.9	-8.4	42.4	-21	0	0	0	115.4
1137	S	29.1	Very low	40.2	Very low	122 Å²	122	135 Å²	135	85%	0.853	79%	0.785	S	S	*	*			trans	103.9	161.7	146.8	79.3	0	0	0	0	122.8
1138	A	32.3	Very low	40.2	Very low	92 Å²	92	129.8 Å²	129.8	76%	0.76	78%	0.777	S	S	*	*			trans	-167.1	-176	-176.4	0	0	0	0	0	109.5
1139	P	55.2	Low	39.9	Very low	127 Å²	127	128.6 Å²	128.6	83%	0.825	78%	0.778	S	S	*	*			cis	-127.3	-114.9	-10.3	32.1	-5.4	0	0	0	115.2
1140	P	64.8	Low	38.6	Very low	111 Å²	111	129.3 Å²	129.3	72%	0.721	77%	0.774	S	S	*	*			trans	-114.6	-179.9	-146.9	44.9	-27.5	0	0	0	116.5
1141	P	51.8	Low	38.5	Very low	129 Å²	129	132.8 Å²	132.8	84%	0.838	78%	0.777	S	S	*	*				-161.4	-173.1	92.1	44	-21.9	0	0	0	119.5
1142	V	31.3	Very low	38.6	Very low	136 Å²	136	128.4 Å²	128.4	82%	0.824	77%	0.772	S	S	*	*			trans	-58.9	148.8	-176.5	172.8	0	0	0	0	119.7
1143	R	26.9	Very low	37	Very low	247 Å²	247	129.7 Å²	129.7	93%	0.932	78%	0.782	S	S	*	*			trans	-171.5	161.6	136.8	-109.6	171.8	-174.5	175.4	2.1	116.9
1144	A	26.4	Very low	35.6	Very low	87 Å²	87	135.8 Å²	135.8	72%	0.719	79%	0.792	S	S	*	*			trans	-130.2	-164	170.5	0	0	0	0	0	108.3
1145	P	54.3	Low	35.5	Very low	107 Å²	107	129.6 Å²	129.6	70%	0.695	78%	0.782	S	S	*	*			cis	-143.9	-156.5	-0.1	38.1	-13.3	0	0	0	115.6
1146	T	29.1	Very low	35	Very low	120 Å²	120	134.8 Å²	134.8	74%	0.736	79%	0.787	S	S	*	*			trans	73.6	150.9	156.2	52.2	0	0	0	0	120.2
1147	I	29.7	Very low	35.3	Very low	162 Å²	162	134.2 Å²	134.2	83%	0.831	78%	0.784	S	S	*	*			cis	-156.4	158.9	0.2	-125.4	159.4	0	0	0	113.1
1148	G	26.3	Very low	36.8	Very low	60 Å²	60	133.6 Å²	133.6	62%	0.619	78%	0.777	S	S	*	*			trans	139.8	104.8	160.2	0	0	0	0	0	115.9
1149	I	30.5	Very low	36.7	Very low	159 Å²	159	140.2 Å²	140.2	82%	0.815	78%	0.782	S	S	*	*				86.1	133.2	80.7	-76.9	166.9	0	0	0	111.8
1150	L	26.9	Very low	35.4	Very low	146 Å²	146	141.2 Å²	141.2	76%	0.764	78%	0.781	S	S	*	*			cis	-146.6	-131.3	20.6	-139.2	164.6	0	0	0	114.2
1151	D	25.9	Very low	34.5	Very low	139 Å²	139	141.9 Å²	141.9	74%	0.743	79%	0.785	S	S	*	*			trans	-80	160.6	-168.8	-73.8	-27.6	0	0	0	117.2
1152	A	30.7	Very low	33.5	Very low	93 Å²	93	143.2 Å²	143.2	77%	0.769	78%	0.784	S	S	*	*			cis	92.8	143.8	18.7	0	0	0	0	0	115.6
1153	C	28.2	Very low	34	Very low	125 Å²	125	141.5 Å²	141.5	85%	0.845	78%	0.775	S	S	*	*			cis	-165.8	-168.2	-5.8	-162.8	0	0	0	0	111.7
1154	R	29	Very low	34.1	Very low	230 Å²	230	138.5 Å²	138.5	87%	0.868	77%	0.772	S	S	*	*			trans	97.3	142.7	172.1	-57.7	-173.8	-177.9	-151	0.8	118
1155	T	26.4	Very low	34.2	Very low	119 Å²	119	139.1 Å²	139.1	73%	0.73	77%	0.771	S	S	*	*			cis	-164.3	122.7	-16.9	24.4	0	0	0	0	113.8
1156	F	25.7	Very low	33	Very low	200 Å²	200	142.1 Å²	142.1	88%	0.877	78%	0.779	S	S	*	*				15.7	172.9	125.3	-81.7	-56	0	0	0	125
1157	P	62	Low	33	Very low	107 Å²	107	140.3 Å²	140.3	70%	0.695	78%	0.776	S	S	*	*			cis	-140.2	-143.4	-19.9	40.7	-18.7	0	0	0	112.1
1158	P	60.6	Low	32.8	Very low	110 Å²	110	141.4 Å²	141.4	71%	0.714	78%	0.778	S	S	*	*			cis	-125.8	-166.8	-22.7	40.8	-20.7	0	0	0	113.6
1159	R	29.1	Very low	32.9	Very low	231 Å²	231	146.2 Å²	146.2	87%	0.872	79%	0.79	S	S	*	*			cis	-163.2	146.5	21.7	-150	171.2	-159.9	-177.4	4.3	116
1160	N	27.8	Very low	32.8	Very low	148 Å²	148	145.8 Å²	145.8	79%	0.791	79%	0.786	S	S	*	*			trans	-42.5	-177.9	169.6	-55.9	17.2	0	0	0	119.2
1161	P	46	Very low	33.4	Very low	125 Å²	125	144 Å²	144	81%	0.812	78%	0.783	S	S	*	*			cis	-141.9	-168.8	10.5	37.9	-13.6	0	0	0	119.3
1162	I	30.3	Very low	33.4	Very low	157 Å²	157	145.2 Å²	145.2	81%	0.805	78%	0.784	S	S	*	*			trans	-114.2	163.3	175	-24.7	174.7	0	0	0	109.7
1163	P	42.4	Very low	33.1	Very low	100 Å²	100	150.2 Å²	150.2	65%	0.649	79%	0.792	S	S	*	*				-158.6	167.2	94.6	41.6	-22.1	0	0	0	118.9
1164	E	28.4	Very low	33.2	Very low	184 Å²	184	148.3 Å²	148.3	86%	0.86	79%	0.785	S	S	*	*			trans	47.6	156.6	142.3	-67.5	158.8	-169.2	0	0	123.3
1165	S	29.3	Very low	33.4	Very low	100 Å²	100	143.9 Å²	143.9	70%	0.699	78%	0.778	S	S	*	*			cis	-173.4	141.9	-26.9	61.3	0	0	0	0	112.1
1166	I	29.6	Very low	33.8	Very low	169 Å²	169	150.1 Å²	150.1	87%	0.867	79%	0.788	S	S	*	*			trans	30.2	127.3	147.6	-64.6	169.7	0	0	0	118.6
1167	A	27.8	Very low	33.6	Very low	82 Å²	82	144.2 Å²	144.2	68%	0.678	78%	0.784	S	S	*	*			cis	-163	177	41.3	0	0	0	0	0	116.6
1168	E	27	Very low	31.9	Very low	186 Å²	186	144.6 Å²	144.6	87%	0.869	79%	0.789	S	S	*	*			trans	83.2	136.2	151.2	-75.8	176.5	178.9	0	0	123.4
1169	D	27.5	Very low	30.1	Very low	161 Å²	161	145 Å²	145	86%	0.861	80%	0.795	S	S	*	*			trans	64.1	145	168	-71.9	-4.8	0	0	0	124.5
1170	M	29.3	Very low	30	Very low	149 Å²	149	139.6 Å²	139.6	73%	0.734	79%	0.792	S	S	*	*			trans	-110	-176.6	-173.9	-57.7	-174.2	71.7	0	0	111.3	E1172	M1170-E1172 HydrophobicContact CE-CG 4.07Å; M1170-E1172 WeakPolarHBondContact CE-OE1 3.42Å
1171	P	39.3	Very low	29.8	Very low	110 Å²	110	138 Å²	138	71%	0.714	79%	0.792	S	S	*	*			cis	-121.6	170.4	-20.1	16.1	7.6	0	0	0	112
1172	E	26.1	Very low	29.1	Very low	163 Å²	163	137.7 Å²	137.7	76%	0.762	79%	0.793	S	S	*	*			cis	-152.7	139.8	-14.9	-117.2	166.5	168.9	0	0	106.5	M1170	M1170-E1172 HydrophobicContact CE-CG 4.07Å; M1170-E1172 WeakPolarHBondContact CE-OE1 3.42Å
1173	E	24.3	Very low	28.9	Very low	199 Å²	199	138.3 Å²	138.3	93%	0.93	80%	0.797	S	S	*	*			trans	-80.9	159.7	-169.9	-73.4	-163.8	122.9	0	0	114.7
1174	A	29.7	Very low	28.4	Very low	85 Å²	85	138.9 Å²	138.9	70%	0.702	80%	0.804	S	S	*	*			trans	-103.1	159.3	166.3	0	0	0	0	0	111.5
1175	L	33	Very low	28.6	Very low	137 Å²	137	137.3 Å²	137.3	72%	0.717	81%	0.806	S	S	*	*			trans	90.3	94.6	171.8	-69.4	98.9	0	0	0	120.4
1176	W	34.3	Very low	28.7	Very low	249 Å²	249	135.6 Å²	135.6	94%	0.943	80%	0.804	S	S	*	*				86.5	123.7	120.4	-71	20.9	0	0	0	120.4
1177	G	22.4	Very low	29.5	Very low	76 Å²	76	136.2 Å²	136.2	78%	0.784	80%	0.804	S	S	*	*			trans	-171.1	79	172.2	0	0	0	0	0	112.7
1178	S	25.3	Very low	30.7	Very low	116 Å²	116	134.5 Å²	134.5	81%	0.811	79%	0.787	S	S	*	*			trans	16.9	115.8	164.7	-56.7	0	0	0	0	120.6
1179	S	22.3	Very low	32.9	Very low	118 Å²	118	128.5 Å²	128.5	83%	0.825	77%	0.766	S	S	*	*				171.8	127.2	111.3	-76.2	0	0	0	0	115
1180	S	27.3	Very low	35.3	Very low	118 Å²	118	121 Å²	121	83%	0.825	73%	0.726	S	S	*	*			trans	30.7	101	146.9	178.6	0	0	0	0	120.3
1181	S	24.2	Very low	37.6	Very low	113 Å²	113	114.4 Å²	114.4	79%	0.79	70%	0.695	S	S	*	*				-162.9	150.7	117	24.1	0	0	0	0	112.2
1182	S	30.6	Very low	39.4	Very low	119 Å²	119	112.9 Å²	112.9	83%	0.832	68%	0.678	S	S	*	*			trans	-54.9	130.6	-173.4	49.9	0	0	0	0	115.6
1183	L	26.4	Very low	42.3	Very low	170 Å²	170	105.3 Å²	105.3	89%	0.89	64%	0.643	S	S	*	*			trans	-129.4	151.1	155.3	-88.4	173.9	0	0	0	110.6
1184	S	33.3	Very low	45.2	Very low	112 Å²	112	95.8 Å²	95.8	78%	0.783	60%	0.599	S	S	*	*			trans	-86.8	137.2	-171	50.9	0	0	0	0	113.6
1185	V	31.2	Very low	47.8	Very low	151 Å²	151	98.2 Å²	98.2	92%	0.915	60%	0.595	S	S	*	*			trans	-133.3	138.7	156.8	-175.6	0	0	0	0	105.2
1186	G	31	Very low	50.2	Low	64 Å²	64	99.1 Å²	99.1	66%	0.66	59%	0.589	S	S	*	*			cis	159.7	133.4	0.3	0	0	0	0	0	106.8
1187	E	46.4	Very low	52.8	Low	183 Å²	183	89.7 Å²	89.7	86%	0.855	56%	0.557	S	S	*	*			trans	-66	156.4	-174	-63.7	164	132.4	0	0	111.3
1188	S	53.7	Low	55.8	Low	45 Å²	45	88.2 Å²	88.2	32%	0.315	54%	0.542	S	S	.	.			trans	-141.3	123	166.1	60	0	0	0	0	109.5	L1214	S1188-L1214 VanDerWaalsContact O-CD1 3.27Å; S1188-L1214 WeakPolarHBondContact O-CD1 3.2Å; S1188-L1214 VanDerWaalsContact OG-CD1 3.3Å; S1188-L1214 WeakPolarHBondContact OG-CD1 3.32Å
1189	S	74	Confident	59	Low	61 Å²	61	82.9 Å²	82.9	43%	0.427	50%	0.504	S	S	.	.			trans	-80.7	167.8	178	67.4	0	0	0	0	111.9	G1191 E1192 W1193	S1189-G1191 VanDerWaalsContact C-N 3.31Å; S1189-G1191 PolarHBondContact O-N 3.44Å; S1189-E1192 PolarHBondContact O-N 2.91Å; S1189-E1192 PolarHBondContact OG-N 3.44Å; S1189-E1192 VanDerWaalsContact OG-N 3.15Å; S1189-W1193 PolarHBondContact O-N 3Å
1190	V	76.9	Confident	62.2	Low	4 Å²	4	81.9 Å²	81.9	2%	0.024	49%	0.487	C	S	.	.	H	α-helix	trans	-59.7	-42.4	172.5	178.2	0	0	0	0	111.2	W1193 L1194 L1217	V1190-W1193 HydrophobicContact CG1-CE3 4.49Å; V1190-W1193 PolarHBondContact O-N 3.42Å; V1190-L1194 HydrophobicContact CG1-CD1 3.84Å; V1190-L1194 HydrophobicContact CG1-CG 4.31Å; V1190-L1194 WeakPolarHBondContact O-CB 3.36Å; V1190-L1194 VanDerWaalsContact O-CG 3.28Å; V1190-L1194 WeakPolarHBondContact O-CG 3.44Å; V1190-L1194 PolarHBondContact O-N 3.04Å; V1190-L1217 HydrophobicContact CB-CD1 4.18Å; V1190-L1217 HydrophobicContact CG1-CD1 3.67Å; V1190-L1217 HydrophobicContact CG2-CD1 3.52Å
1191	G	77.1	Confident	65	Low	9 Å²	9	83 Å²	83	9%	0.093	47%	0.473	C	S	.	.	H	α-helix	trans	-59.3	-46	175	0	0	0	0	0	113.3	S1189 W1193 L1194 Q1195 E1203	S1189-G1191 VanDerWaalsContact C-N 3.31Å; S1189-G1191 PolarHBondContact O-N 3.44Å; G1191-W1193 PolarHBondContact O-N 3.47Å; G1191-L1194 PolarHBondContact O-N 3.06Å; G1191-Q1195 VanDerWaalsContact O-CB 3.25Å; G1191-Q1195 WeakPolarHBondContact O-CB 3.34Å; G1191-Q1195 PolarHBondContact O-N 3.48Å; G1191-E1203 VanDerWaalsContact CA-CD 3.5Å; G1191-E1203 WeakPolarHBondContact CA-OE1 3.4Å
1192	E	78.9	Confident	68	Low	78 Å²	78	78.8 Å²	78.8	36%	0.364	44%	0.44	S	S	.	.	H	α-helix	trans	-63.8	-38.9	175.7	-77.3	-175.6	-155.1	0	0	112.9	S1189 Q1195 R1196	S1189-E1192 PolarHBondContact O-N 2.91Å; S1189-E1192 PolarHBondContact OG-N 3.44Å; S1189-E1192 VanDerWaalsContact OG-N 3.15Å; E1192-Q1195 PolarHBondContact O-N 2.86Å; E1192-R1196 WeakPolarHBondContact O-CD 3.39Å; E1192-R1196 WeakPolarHBondContact O-CG 3.2Å; E1192-R1196 PolarHBondContact O-N 3.15Å; E1192-R1196 IonicContact OE2-CZ 3.63Å; E1192-R1196 IonicContact OE2-NH2 2.94Å; E1192-R1196 PolarHBondContact OE2-NH2 3.47Å
1193	W	86.1	Confident	70.5	Confident	4 Å²	4	76.4 Å²	76.4	2%	0.015	42%	0.415	C	S	.	.	H	α-helix	trans	-65.4	-46.5	176.7	169.3	63.9	0	0	0	111.5	S1189 V1190 G1191 Q1195 R1196 L1197 L1214 L1217 L1239 S1242 L1243 Q1246	S1189-W1193 PolarHBondContact O-N 3Å; V1190-W1193 HydrophobicContact CG1-CE3 4.49Å; V1190-W1193 PolarHBondContact O-N 3.42Å; G1191-W1193 PolarHBondContact O-N 3.47Å; W1193-Q1195 VanDerWaalsContact C-N 3.33Å; W1193-Q1195 PolarHBondContact O-N 3.47Å; W1193-R1196 PolarHBondContact O-N 3.33Å; W1193-L1197 HydrophobicContact CD2-CD1 4.33Å; W1193-L1197 HydrophobicContact CH2-CD1 4.44Å; W1193-L1197 HydrophobicContact CZ2-CD1 3.63Å; W1193-L1197 PolarHBondContact O-N 3.28Å; W1193-L1214 HydrophobicContact CB-CD1 4.32Å; W1193-L1214 HydrophobicContact CB-CD2 3.76Å; W1193-L1214 HydrophobicContact CD2-CD2 3.69Å; W1193-L1214 HydrophobicContact CE3-CD2 3.76Å; W1193-L1214 HydrophobicContact CG-CD2 3.68Å; W1193-L1217 HydrophobicContact CE3-CD1 4.04Å; W1193-L1217 HydrophobicContact CZ3-CD1 3.85Å; W1193-L1217 HydrophobicContact CZ3-CD2 4.15Å; W1193-L1239 HydrophobicContact CH2-CB 4.05Å; W1193-L1239 HydrophobicContact CH2-CD2 3.35Å; W1193-L1239 HydrophobicContact CH2-CG 4.29Å; W1193-L1239 HydrophobicContact CZ2-CB 4.47Å; W1193-L1239 HydrophobicContact CZ2-CD2 3.9Å; W1193-L1239 HydrophobicContact CZ3-CD2 3.84Å; W1193-S1242 PolarHBondContact NE1-OG 3.29Å; W1193-L1243 HydrophobicContact CH2-CD1 3.74Å; W1193-L1243 HydrophobicContact CH2-CD2 3.91Å; W1193-L1243 HydrophobicContact CH2-CG 3.71Å; W1193-L1243 HydrophobicContact CZ2-CD1 4.05Å; W1193-L1243 HydrophobicContact CZ2-CD2 3.8Å; W1193-L1243 HydrophobicContact CZ2-CG 3.52Å; W1193-L1243 HydrophobicContact CZ3-CD2 4.48Å; W1193-Q1246 VanDerWaalsContact CD1-NE2 3.32Å
1194	L	85.8	Confident	72.8	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-62	-39.9	175	-68.5	170.6	0	0	0	112	V1190 G1191 R1196 L1197 G1198 L1199 E1203 L1206 L1239	V1190-L1194 HydrophobicContact CG1-CD1 3.84Å; V1190-L1194 HydrophobicContact CG1-CG 4.31Å; V1190-L1194 WeakPolarHBondContact O-CB 3.36Å; V1190-L1194 VanDerWaalsContact O-CG 3.28Å; V1190-L1194 WeakPolarHBondContact O-CG 3.44Å; V1190-L1194 PolarHBondContact O-N 3.04Å; G1191-L1194 PolarHBondContact O-N 3.06Å; L1194-R1196 VanDerWaalsContact C-N 3.35Å; L1194-R1196 PolarHBondContact O-N 3.46Å; L1194-L1197 CarbonylContact O-C 3.59Å; L1194-L1197 WeakPolarHBondContact O-CA 3.44Å; L1194-L1197 PolarHBondContact O-N 3.36Å; L1194-G1198 PolarHBondContact O-N 2.95Å; L1194-L1199 HydrophobicContact CD2-CB 4.13Å; L1194-L1199 PolarHBondContact O-N 3.41Å; L1194-E1203 VanDerWaalsContact CD1-CA 3.44Å; L1194-E1203 HydrophobicContact CD1-CB 3.71Å; L1194-E1203 HydrophobicContact CD1-CG 4.24Å; L1194-L1206 HydrophobicContact CD1-CD1 3.84Å; L1194-L1206 HydrophobicContact CD2-CD1 3.86Å; L1194-L1206 HydrophobicContact CG-CD1 4.42Å; L1194-L1239 HydrophobicContact CD2-CD2 3.38Å
1195	Q	84.4	Confident	74.7	Confident	136 Å²	136	72 Å²	72	64%	0.636	38%	0.384	S	S	*	.	H	α-helix	trans	-64.3	-36.6	176.1	-172.7	178.3	51.9	0	0	112.3	G1191 E1192 W1193 L1197 G1198	G1191-Q1195 VanDerWaalsContact O-CB 3.25Å; G1191-Q1195 WeakPolarHBondContact O-CB 3.34Å; G1191-Q1195 PolarHBondContact O-N 3.48Å; E1192-Q1195 PolarHBondContact O-N 2.86Å; W1193-Q1195 VanDerWaalsContact C-N 3.33Å; W1193-Q1195 PolarHBondContact O-N 3.47Å; Q1195-L1197 PolarHBondContact O-N 3.01Å; Q1195-G1198 PolarHBondContact O-N 2.98Å
1196	R	83.1	Confident	77	Confident	155 Å²	155	64.8 Å²	64.8	59%	0.585	34%	0.34	S	S	*	.	H	α-helix	trans	-66	-20.2	172.8	-69	164.3	-158.4	-178.1	6.7	112.8	E1192 W1193 L1194	E1192-R1196 WeakPolarHBondContact O-CD 3.39Å; E1192-R1196 WeakPolarHBondContact O-CG 3.2Å; E1192-R1196 PolarHBondContact O-N 3.15Å; E1192-R1196 IonicContact OE2-CZ 3.63Å; E1192-R1196 IonicContact OE2-NH2 2.94Å; E1192-R1196 PolarHBondContact OE2-NH2 3.47Å; W1193-R1196 PolarHBondContact O-N 3.33Å; L1194-R1196 VanDerWaalsContact C-N 3.35Å; L1194-R1196 PolarHBondContact O-N 3.46Å
1197	L	87.9	Confident	79	Confident	51 Å²	51	65.3 Å²	65.3	27%	0.267	33%	0.327	S	S	.	.	H	α-helix	trans	-97.8	-8.9	175.5	-61.4	176.1	0	0	0	113.8	W1193 L1194 Q1195 L1199 I1238 L1239	W1193-L1197 HydrophobicContact CD2-CD1 4.33Å; W1193-L1197 HydrophobicContact CH2-CD1 4.44Å; W1193-L1197 HydrophobicContact CZ2-CD1 3.63Å; W1193-L1197 PolarHBondContact O-N 3.28Å; L1194-L1197 CarbonylContact O-C 3.59Å; L1194-L1197 WeakPolarHBondContact O-CA 3.44Å; L1194-L1197 PolarHBondContact O-N 3.36Å; Q1195-L1197 PolarHBondContact O-N 3.01Å; L1197-L1199 VanDerWaalsContact C-N 3.35Å; L1197-L1199 HydrophobicContact CB-CB 4.3Å; L1197-L1199 HydrophobicContact CB-CD1 3.96Å; L1197-L1199 HydrophobicContact CB-CG 3.89Å; L1197-L1199 HydrophobicContact CD1-CD1 4.36Å; L1197-I1238 HydrophobicContact CB-CG2 4.31Å; L1197-I1238 HydrophobicContact CD1-CG2 4.31Å; L1197-I1238 HydrophobicContact CD2-CG2 4.07Å; L1197-I1238 HydrophobicContact CG-CG2 4.47Å; L1197-L1239 HydrophobicContact CD1-CD2 3.97Å
1198	G	87	Confident	79.8	Confident	45 Å²	45	64.5 Å²	64.5	46%	0.464	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	28.6	-171.5	0	0	0	0	0	113.7	L1194 Q1195 E1200	L1194-G1198 PolarHBondContact O-N 2.95Å; Q1195-G1198 PolarHBondContact O-N 2.98Å; G1198-E1200 WeakPolarHBondContact CA-OE2 3.48Å
1199	L	91.9	Very high	80.3	Confident	4 Å²	4	65 Å²	65	2%	0.021	32%	0.322	C	S	.	.			trans	-118.8	16.1	-173.1	-59.2	-175.6	0	0	0	113.2	L1194 L1197 R1201 Y1202 H1235 I1238 L1239	L1194-L1199 HydrophobicContact CD2-CB 4.13Å; L1194-L1199 PolarHBondContact O-N 3.41Å; L1197-L1199 VanDerWaalsContact C-N 3.35Å; L1197-L1199 HydrophobicContact CB-CB 4.3Å; L1197-L1199 HydrophobicContact CB-CD1 3.96Å; L1197-L1199 HydrophobicContact CB-CG 3.89Å; L1197-L1199 HydrophobicContact CD1-CD1 4.36Å; L1199-R1201 PolarHBondContact O-N 3.28Å; L1199-Y1202 HydrophobicContact CB-CD2 4.27Å; L1199-Y1202 PolarHBondContact O-N 3.37Å; L1199-H1235 HydrophobicContact CD1-CB 4.44Å; L1199-H1235 HydrophobicContact CD2-CB 4.11Å; L1199-H1235 WeakPolarHBondContact CD2-CD2 3.43Å; L1199-I1238 HydrophobicContact CD1-CB 4.24Å; L1199-I1238 HydrophobicContact CD1-CG2 3.78Å; L1199-L1239 HydrophobicContact CB-CD2 4.46Å; L1199-L1239 HydrophobicContact CD1-CD1 4.35Å; L1199-L1239 HydrophobicContact CD1-CD2 3.58Å; L1199-L1239 HydrophobicContact CD1-CG 3.66Å
1200	E	88.2	Confident	79.4	Confident	98 Å²	98	62.6 Å²	62.6	46%	0.458	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-53.9	-25.7	-178	67.3	-72.3	165.2	0	0	113.8	G1198 Y1202 E1203	G1198-E1200 WeakPolarHBondContact CA-OE2 3.48Å; E1200-Y1202 PolarHBondContact O-N 2.9Å; E1200-E1203 VanDerWaalsContact O-CB 3.23Å; E1200-E1203 WeakPolarHBondContact O-CB 3.38Å; E1200-E1203 PolarHBondContact O-N 3.03Å
1201	R	86.2	Confident	79.4	Confident	142 Å²	142	64.2 Å²	64.2	54%	0.536	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-57.9	-19.2	173.9	78.9	-176.3	-161	-118.1	11	114.6	L1199 D1232 H1235	L1199-R1201 PolarHBondContact O-N 3.28Å; R1201-D1232 IonicContact NH2-OD2 3.4Å; R1201-H1235 PolarHBondContact NH1-CE1 3.26Å; R1201-H1235 PolarHBondContact NH2-CE1 3.45Å; R1201-H1235 PolarHBondContact NH2-ND1 3.13Å
1202	Y	87.9	Confident	79	Confident	23 Å²	23	65.2 Å²	65.2	9%	0.09	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-95.7	-5.3	179	-65.8	-61.3	0	0	0	113.7	L1199 E1200 Q1204 G1205 L1206 G1229 V1230 H1235	L1199-Y1202 HydrophobicContact CB-CD2 4.27Å; L1199-Y1202 PolarHBondContact O-N 3.37Å; E1200-Y1202 PolarHBondContact O-N 2.9Å; Y1202-Q1204 PolarHBondContact O-N 3.2Å; Y1202-G1205 PolarHBondContact O-N 3.43Å; Y1202-G1205 VanDerWaalsContact O-N 3.12Å; Y1202-L1206 PolarHBondContact O-N 2.85Å; Y1202-G1229 WeakPolarHBondContact CE1-O 3.46Å; Y1202-V1230 HydrophobicContact CD1-CB 4.36Å; Y1202-V1230 HydrophobicContact CD1-CG2 3.74Å; Y1202-V1230 HydrophobicContact CD2-CG1 4.35Å; Y1202-V1230 HydrophobicContact CD2-CG2 4.35Å; Y1202-V1230 HydrophobicContact CE1-CB 4.2Å; Y1202-V1230 HydrophobicContact CE1-CG1 4.26Å; Y1202-V1230 HydrophobicContact CE1-CG2 4.08Å; Y1202-V1230 HydrophobicContact CE2-CG1 3.99Å; Y1202-V1230 HydrophobicContact CG-CG2 3.86Å; Y1202-H1235 HydrophobicContact CE2-CB 3.87Å; Y1202-H1235 AromaticContact CE2-CG 3.99Å
1203	E	84.1	Confident	78.5	Confident	69 Å²	69	63.8 Å²	63.8	32%	0.322	31%	0.311	S	S	.	.	H	α-helix	trans	-55	-50.1	-177.8	-176.4	179.3	-164.8	0	0	111.8	G1191 L1194 E1200 G1205 L1206 L1207	G1191-E1203 VanDerWaalsContact CA-CD 3.5Å; G1191-E1203 WeakPolarHBondContact CA-OE1 3.4Å; L1194-E1203 VanDerWaalsContact CD1-CA 3.44Å; L1194-E1203 HydrophobicContact CD1-CB 3.71Å; L1194-E1203 HydrophobicContact CD1-CG 4.24Å; E1200-E1203 VanDerWaalsContact O-CB 3.23Å; E1200-E1203 WeakPolarHBondContact O-CB 3.38Å; E1200-E1203 PolarHBondContact O-N 3.03Å; E1203-G1205 VanDerWaalsContact C-N 3.3Å; E1203-G1205 PolarHBondContact O-N 2.67Å; E1203-L1206 PolarHBondContact O-N 2.97Å; E1203-L1207 HydrophobicContact CG-CD1 3.79Å; E1203-L1207 HydrophobicContact CG-CG 4.16Å; E1203-L1207 WeakPolarHBondContact O-CB 3.46Å; E1203-L1207 VanDerWaalsContact O-CG 3.24Å; E1203-L1207 WeakPolarHBondContact O-CG 3.48Å; E1203-L1207 PolarHBondContact O-N 2.94Å
1204	Q	72.9	Confident	77.3	Confident	167 Å²	167	64.5 Å²	64.5	78%	0.78	32%	0.315	S	S	*	.	H	α-helix	trans	-62.5	-35	179.6	-67.1	-123.9	-30.1	0	0	113.1	Y1202 H1208	Y1202-Q1204 PolarHBondContact O-N 3.2Å; Q1204-H1208 WeakPolarHBondContact O-CB 3.23Å; Q1204-H1208 PolarHBondContact O-N 2.84Å
1205	G	73.5	Confident	76	Confident	22 Å²	22	70.2 Å²	70.2	23%	0.227	34%	0.342	C	S	.	.	H	α-helix	trans	-70.9	-40.4	178.2	0	0	0	0	0	112.7	Y1202 E1203 N1209	Y1202-G1205 PolarHBondContact O-N 3.43Å; Y1202-G1205 VanDerWaalsContact O-N 3.12Å; E1203-G1205 VanDerWaalsContact C-N 3.3Å; E1203-G1205 PolarHBondContact O-N 2.67Å; G1205-N1209 PolarHBondContact O-N 2.87Å; G1205-N1209 PolarHBondContact O-ND2 2.87Å
1206	L	79.1	Confident	74.6	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-68.9	-46.1	175.5	-73.3	165	0	0	0	111.6	L1194 Y1202 E1203 H1208 N1209 G1210 W1211 L1217 I1220 L1225 A1228	L1194-L1206 HydrophobicContact CD1-CD1 3.84Å; L1194-L1206 HydrophobicContact CD2-CD1 3.86Å; L1194-L1206 HydrophobicContact CG-CD1 4.42Å; Y1202-L1206 PolarHBondContact O-N 2.85Å; E1203-L1206 PolarHBondContact O-N 2.97Å; L1206-H1208 PolarHBondContact O-N 2.79Å; L1206-N1209 PolarHBondContact O-N 2.94Å; L1206-G1210 PolarHBondContact O-N 3Å; L1206-W1211 HydrophobicContact CB-CB 4.18Å; L1206-W1211 HydrophobicContact CD2-CB 4.18Å; L1206-W1211 HydrophobicContact CD2-CG 4.19Å; L1206-W1211 WeakPolarHBondContact O-CB 3.19Å; L1206-W1211 PolarHBondContact O-N 2.77Å; L1206-L1217 HydrophobicContact CD2-CD2 4.14Å; L1206-I1220 HydrophobicContact CD2-CD1 3.51Å; L1206-L1225 HydrophobicContact CD2-CD2 4.31Å; L1206-A1228 HydrophobicContact CD2-CB 3.61Å; L1206-A1228 HydrophobicContact CG-CB 4.01Å
1207	L	73.8	Confident	73.6	Confident	75 Å²	75	60.2 Å²	60.2	39%	0.393	30%	0.301	S	S	.	.	H	α-helix	trans	-61.4	-41.4	176	-68.9	-179.1	0	0	0	112.2	E1203 N1209 G1210 D1212	E1203-L1207 HydrophobicContact CG-CD1 3.79Å; E1203-L1207 HydrophobicContact CG-CG 4.16Å; E1203-L1207 WeakPolarHBondContact O-CB 3.46Å; E1203-L1207 VanDerWaalsContact O-CG 3.24Å; E1203-L1207 WeakPolarHBondContact O-CG 3.48Å; E1203-L1207 PolarHBondContact O-N 2.94Å; L1207-N1209 VanDerWaalsContact C-N 3.34Å; L1207-N1209 PolarHBondContact O-N 2.93Å; L1207-G1210 PolarHBondContact O-N 2.83Å; L1207-G1210 VanDerWaalsContact O-N 3.15Å; L1207-D1212 HydrophobicContact CD2-CB 4.24Å
1208	H	63.9	Low	72.4	Confident	166 Å²	166	59.7 Å²	59.7	77%	0.769	30%	0.302	S	S	*	.	H	α-helix	trans	-64.4	-37.6	179.1	-169.2	76	0	0	0	112.4	Q1204 L1206 G1210	Q1204-H1208 WeakPolarHBondContact O-CB 3.23Å; Q1204-H1208 PolarHBondContact O-N 2.84Å; L1206-H1208 PolarHBondContact O-N 2.79Å; H1208-G1210 PolarHBondContact O-N 2.79Å
1209	N	62.9	Low	71.2	Confident	55 Å²	55	61.1 Å²	61.1	29%	0.294	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	10.4	176	-70	-69.5	0	0	0	113.8	G1205 L1206 L1207 E1227 A1228	G1205-N1209 PolarHBondContact O-N 2.87Å; G1205-N1209 PolarHBondContact O-ND2 2.87Å; L1206-N1209 PolarHBondContact O-N 2.94Å; L1207-N1209 VanDerWaalsContact C-N 3.34Å; L1207-N1209 PolarHBondContact O-N 2.93Å; N1209-E1227 PolarHBondContact ND2-O 3.34Å; N1209-A1228 WeakPolarHBondContact ND2-CA 3.24Å
1210	G	56.7	Low	70.4	Confident	12 Å²	12	61.4 Å²	61.4	12%	0.124	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	80	21.4	171	0	0	0	0	0	115.2	L1206 L1207 H1208 D1212	L1206-G1210 PolarHBondContact O-N 3Å; L1207-G1210 PolarHBondContact O-N 2.83Å; L1207-G1210 VanDerWaalsContact O-N 3.15Å; H1208-G1210 PolarHBondContact O-N 2.79Å; G1210-D1212 PolarHBondContact O-N 2.82Å
1211	W	76.5	Confident	70	Confident	38 Å²	38	59.8 Å²	59.8	14%	0.144	30%	0.297	C	S	.	.			trans	-88.5	58.7	168.5	-56.4	102.2	0	0	0	109.7	L1206 F1216 L1217 I1220 D1224	L1206-W1211 HydrophobicContact CB-CB 4.18Å; L1206-W1211 HydrophobicContact CD2-CB 4.18Å; L1206-W1211 HydrophobicContact CD2-CG 4.19Å; L1206-W1211 WeakPolarHBondContact O-CB 3.19Å; L1206-W1211 PolarHBondContact O-N 2.77Å; W1211-F1216 HydrophobicContact CE3-CB 4.42Å; W1211-F1216 VanDerWaalsContact CZ3-O 3.3Å; W1211-F1216 WeakPolarHBondContact CZ3-O 3.47Å; W1211-L1217 HydrophobicContact CB-CD2 3.78Å; W1211-L1217 HydrophobicContact CB-CG 4.03Å; W1211-L1217 HydrophobicContact CE3-CD2 4.45Å; W1211-L1217 HydrophobicContact CG-CD2 4.27Å; W1211-I1220 HydrophobicContact CD2-CB 4.4Å; W1211-I1220 HydrophobicContact CD2-CD1 3.73Å; W1211-I1220 HydrophobicContact CD2-CG1 3.96Å; W1211-I1220 HydrophobicContact CE3-CB 4.09Å; W1211-I1220 HydrophobicContact CE3-CD1 4.25Å; W1211-I1220 HydrophobicContact CE3-CG1 4.15Å; W1211-I1220 HydrophobicContact CG-CD1 3.9Å; W1211-I1220 HydrophobicContact CH2-CB 4.14Å; W1211-I1220 HydrophobicContact CH2-CG1 4.05Å; W1211-I1220 HydrophobicContact CZ2-CB 4.47Å; W1211-I1220 HydrophobicContact CZ2-CD1 4.41Å; W1211-I1220 HydrophobicContact CZ2-CG1 3.87Å; W1211-I1220 HydrophobicContact CZ3-CB 3.93Å; W1211-I1220 HydrophobicContact CZ3-CG1 4.17Å; W1211-D1224 HydrophobicContact CH2-CB 4.48Å; W1211-D1224 HydrophobicContact CZ2-CB 3.6Å; W1211-D1224 VanDerWaalsContact CZ2-CG 3.4Å; W1211-D1224 WeakPolarHBondContact CZ2-OD1 3.47Å
1212	D	69.3	Low	69.7	Low	29 Å²	29	58.2 Å²	58.2	16%	0.155	30%	0.296	C	S	.	.			trans	-82.7	-11.1	-169.2	65.6	-38.7	0	0	0	114.8	K663 T665 L1207 G1210	K663-D1212 IonicContact NZ-OD1 2.67Å; K663-D1212 PolarHBondContact NZ-OD1 3.43Å; K663-D1212 IonicContact NZ-OD2 3.97Å; K663-D1212 PolarHBondContact NZ-OD2 3.06Å; T665-D1212 VanDerWaalsContact CB-OD2 3.26Å; T665-D1212 WeakPolarHBondContact CB-OD2 3.38Å; T665-D1212 HydrophobicContact CG2-CB 3.92Å; T665-D1212 WeakPolarHBondContact CG2-O 3.42Å; T665-D1212 WeakPolarHBondContact CG2-OD2 3.49Å; T665-D1212 PolarHBondContact OG1-OD2 3.28Å; L1207-D1212 HydrophobicContact CD2-CB 4.24Å; G1210-D1212 PolarHBondContact O-N 2.82Å
1213	D	67.5	Low	69.1	Low	48 Å²	48	64.7 Å²	64.7	26%	0.257	33%	0.327	S	S	.	.	S	Bend	trans	-147.8	141.2	-172.6	162.7	2.7	0	0	0	110.7	T665 E1215 F1216 L1217	T665-D1213 HydrophobicContact CG2-CB 3.63Å; D1213-E1215 PolarHBondContact O-N 2.84Å; D1213-E1215 PolarHBondContact OD1-N 2.82Å; D1213-F1216 HydrophobicContact CB-CD2 3.72Å; D1213-F1216 HydrophobicContact CB-CE2 3.89Å; D1213-F1216 PolarHBondContact O-N 2.99Å; D1213-F1216 VanDerWaalsContact O-N 3.1Å; D1213-L1217 PolarHBondContact O-N 3.46Å; D1213-L1217 VanDerWaalsContact O-N 3.13Å
1214	L	61.4	Low	68.8	Low	20 Å²	20	63.5 Å²	63.5	11%	0.105	32%	0.323	C	S	.	.	H	α-helix	trans	-61.9	-25.6	-176.3	-70.6	172.9	0	0	0	113.5	S1188 W1193 F1216 L1217 S1218	S1188-L1214 VanDerWaalsContact O-CD1 3.27Å; S1188-L1214 WeakPolarHBondContact O-CD1 3.2Å; S1188-L1214 VanDerWaalsContact OG-CD1 3.3Å; S1188-L1214 WeakPolarHBondContact OG-CD1 3.32Å; W1193-L1214 HydrophobicContact CB-CD1 4.32Å; W1193-L1214 HydrophobicContact CB-CD2 3.76Å; W1193-L1214 HydrophobicContact CD2-CD2 3.69Å; W1193-L1214 HydrophobicContact CE3-CD2 3.76Å; W1193-L1214 HydrophobicContact CG-CD2 3.68Å; L1214-F1216 VanDerWaalsContact C-N 3.31Å; L1214-L1217 HydrophobicContact CD2-CD1 3.88Å; L1214-S1218 PolarHBondContact O-N 2.81Å
1215	E	58.3	Low	69.4	Low	119 Å²	119	55.6 Å²	55.6	56%	0.556	29%	0.286	S	S	*	.	H	α-helix	trans	-68	-33.4	175.6	-55.6	-142.7	131.3	0	0	111.6	D1213 S1218 K1250	D1213-E1215 PolarHBondContact O-N 2.84Å; D1213-E1215 PolarHBondContact OD1-N 2.82Å; E1215-S1218 PolarHBondContact O-OG 2.78Å; E1215-S1218 VanDerWaalsContact O-OG 3.07Å; E1215-K1250 IonicContact OE1-NZ 3.65Å; E1215-K1250 PolarHBondContact OE1-NZ 3.09Å
1216	F	54.9	Low	69.9	Low	79 Å²	79	59.3 Å²	59.3	35%	0.346	30%	0.297	S	S	.	.	H	α-helix	trans	-80	-40.1	174.4	-53.7	-60.6	0	0	0	112.4	W1211 D1213 L1214 S1218 D1219	W1211-F1216 HydrophobicContact CE3-CB 4.42Å; W1211-F1216 VanDerWaalsContact CZ3-O 3.3Å; W1211-F1216 WeakPolarHBondContact CZ3-O 3.47Å; D1213-F1216 HydrophobicContact CB-CD2 3.72Å; D1213-F1216 HydrophobicContact CB-CE2 3.89Å; D1213-F1216 PolarHBondContact O-N 2.99Å; D1213-F1216 VanDerWaalsContact O-N 3.1Å; L1214-F1216 VanDerWaalsContact C-N 3.31Å; F1216-S1218 PolarHBondContact O-N 2.93Å; F1216-D1219 PolarHBondContact O-N 2.63Å
1217	L	61.6	Low	69.6	Low	2 Å²	2	66.2 Å²	66.2	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-54.1	-26.3	176.4	-84.2	158	0	0	0	113	V1190 W1193 L1206 W1211 D1213 L1214 D1219 I1220 L1243	V1190-L1217 HydrophobicContact CB-CD1 4.18Å; V1190-L1217 HydrophobicContact CG1-CD1 3.67Å; V1190-L1217 HydrophobicContact CG2-CD1 3.52Å; W1193-L1217 HydrophobicContact CE3-CD1 4.04Å; W1193-L1217 HydrophobicContact CZ3-CD1 3.85Å; W1193-L1217 HydrophobicContact CZ3-CD2 4.15Å; L1206-L1217 HydrophobicContact CD2-CD2 4.14Å; W1211-L1217 HydrophobicContact CB-CD2 3.78Å; W1211-L1217 HydrophobicContact CB-CG 4.03Å; W1211-L1217 HydrophobicContact CE3-CD2 4.45Å; W1211-L1217 HydrophobicContact CG-CD2 4.27Å; D1213-L1217 PolarHBondContact O-N 3.46Å; D1213-L1217 VanDerWaalsContact O-N 3.13Å; L1214-L1217 HydrophobicContact CD2-CD1 3.88Å; L1217-D1219 PolarHBondContact O-N 3.01Å; L1217-D1219 VanDerWaalsContact O-N 3.09Å; L1217-I1220 HydrophobicContact CD2-CD1 3.9Å; L1217-I1220 HydrophobicContact CD2-CG2 4.47Å; L1217-I1220 WeakPolarHBondContact O-CB 3.36Å; L1217-I1220 WeakPolarHBondContact O-CG2 3.45Å; L1217-I1220 PolarHBondContact O-N 2.96Å; L1217-L1243 HydrophobicContact CB-CD1 4.32Å; L1217-L1243 HydrophobicContact CB-CD2 3.71Å; L1217-L1243 VanDerWaalsContact O-CD1 3.32Å; L1217-L1243 WeakPolarHBondContact O-CD1 3.46Å
1218	S	63.4	Low	69.9	Low	41 Å²	41	62.8 Å²	62.8	29%	0.287	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-11.2	178.7	91.1	0	0	0	0	114.9	L1214 E1215 F1216 Q1247	L1214-S1218 PolarHBondContact O-N 2.81Å; E1215-S1218 PolarHBondContact O-OG 2.78Å; E1215-S1218 VanDerWaalsContact O-OG 3.07Å; F1216-S1218 PolarHBondContact O-N 2.93Å; S1218-Q1247 VanDerWaalsContact CB-NE2 3.29Å; S1218-Q1247 PolarHBondContact O-NE2 2.92Å; S1218-Q1247 PolarHBondContact OG-NE2 3.07Å
1219	D	61.3	Low	70.8	Confident	74 Å²	74	56.7 Å²	56.7	40%	0.396	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	3.6	171.8	-68.8	-60.7	0	0	0	114.1	I520 F1216 L1217 T1221	I520-D1219 WeakPolarHBondContact CG2-OD2 3.49Å; F1216-D1219 PolarHBondContact O-N 2.63Å; L1217-D1219 PolarHBondContact O-N 3.01Å; L1217-D1219 VanDerWaalsContact O-N 3.09Å; D1219-T1221 PolarHBondContact O-N 3.23Å
1220	I	75.6	Confident	72.1	Confident	10 Å²	10	54.1 Å²	54.1	5%	0.051	28%	0.28	C	S	.	.			trans	-64.5	129.9	-172.5	-161.2	171	0	0	0	112.2	L1206 W1211 L1217 D1224 L1225 L1240 L1243	L1206-I1220 HydrophobicContact CD2-CD1 3.51Å; W1211-I1220 HydrophobicContact CD2-CB 4.4Å; W1211-I1220 HydrophobicContact CD2-CD1 3.73Å; W1211-I1220 HydrophobicContact CD2-CG1 3.96Å; W1211-I1220 HydrophobicContact CE3-CB 4.09Å; W1211-I1220 HydrophobicContact CE3-CD1 4.25Å; W1211-I1220 HydrophobicContact CE3-CG1 4.15Å; W1211-I1220 HydrophobicContact CG-CD1 3.9Å; W1211-I1220 HydrophobicContact CH2-CB 4.14Å; W1211-I1220 HydrophobicContact CH2-CG1 4.05Å; W1211-I1220 HydrophobicContact CZ2-CB 4.47Å; W1211-I1220 HydrophobicContact CZ2-CD1 4.41Å; W1211-I1220 HydrophobicContact CZ2-CG1 3.87Å; W1211-I1220 HydrophobicContact CZ3-CB 3.93Å; W1211-I1220 HydrophobicContact CZ3-CG1 4.17Å; L1217-I1220 HydrophobicContact CD2-CD1 3.9Å; L1217-I1220 HydrophobicContact CD2-CG2 4.47Å; L1217-I1220 WeakPolarHBondContact O-CB 3.36Å; L1217-I1220 WeakPolarHBondContact O-CG2 3.45Å; L1217-I1220 PolarHBondContact O-N 2.96Å; I1220-D1224 HydrophobicContact CD1-CB 4.26Å; I1220-D1224 HydrophobicContact CG1-CB 3.56Å; I1220-L1225 HydrophobicContact CD1-CD2 3.74Å; I1220-L1225 HydrophobicContact CD1-CG 3.9Å; I1220-L1225 HydrophobicContact CG1-CD2 4.47Å; I1220-L1225 HydrophobicContact CG1-CG 4.12Å; I1220-L1225 HydrophobicContact CG2-CG 4.47Å; I1220-L1240 HydrophobicContact CG2-CD2 4.02Å; I1220-L1240 VanDerWaalsContact O-CD2 3.31Å; I1220-L1240 WeakPolarHBondContact O-CD2 3.23Å; I1220-L1243 HydrophobicContact CG2-CD1 3.64Å
1221	T	79.3	Confident	73.6	Confident	64 Å²	64	59.6 Å²	59.6	39%	0.393	31%	0.306	S	S	.	.			trans	-90	171.7	178.4	73.2	0	0	0	0	112.5	D1219 E1223 D1224 L1225	D1219-T1221 PolarHBondContact O-N 3.23Å; T1221-E1223 PolarHBondContact O-N 3.03Å; T1221-E1223 PolarHBondContact OG1-N 3.3Å; T1221-D1224 VanDerWaalsContact CB-OD2 3.23Å; T1221-D1224 WeakPolarHBondContact CB-OD2 3.3Å; T1221-D1224 WeakPolarHBondContact CG2-OD2 3.47Å; T1221-D1224 PolarHBondContact N-OD2 2.99Å; T1221-D1224 PolarHBondContact O-N 3.29Å; T1221-D1224 VanDerWaalsContact OG1-CG 3.23Å; T1221-D1224 PolarHBondContact OG1-N 3.22Å; T1221-D1224 PolarHBondContact OG1-OD2 2.98Å; T1221-L1225 WeakPolarHBondContact O-CG 3.35Å; T1221-L1225 PolarHBondContact O-N 2.94Å; T1221-L1225 VanDerWaalsContact O-N 3.13Å
1222	E	79.3	Confident	74.3	Confident	110 Å²	110	60.6 Å²	60.6	51%	0.514	31%	0.314	S	S	.	.	H	α-helix	trans	-67.8	-25.2	174.5	-151	-169.2	145.4	0	0	112.8	E1226 K1236	E1222-E1226 PolarHBondContact O-N 2.96Å; E1222-K1236 HydrophobicContact CG-CD 3.34Å; E1222-K1236 WeakPolarHBondContact OE1-CD 3.49Å; E1222-K1236 IonicContact OE1-NZ 2.65Å; E1222-K1236 PolarHBondContact OE1-NZ 3.45Å
1223	E	75.8	Confident	75	Confident	159 Å²	159	63.6 Å²	63.6	74%	0.743	34%	0.335	S	S	*	.	H	α-helix	trans	-76.6	-45	176.1	-61.8	178.4	173.1	0	0	110.7	T1221 L1225 E1226 E1227	T1221-E1223 PolarHBondContact O-N 3.03Å; T1221-E1223 PolarHBondContact OG1-N 3.3Å; E1223-L1225 PolarHBondContact O-N 3.19Å; E1223-E1226 PolarHBondContact O-N 3.43Å; E1223-E1227 PolarHBondContact O-N 3.37Å
1224	D	77.4	Confident	75.8	Confident	43 Å²	43	63.7 Å²	63.7	23%	0.23	34%	0.343	C	S	.	.	H	α-helix	trans	-59.2	-34.8	173.9	-60.4	-64.2	0	0	0	111.9	W1211 I1220 T1221 E1227 A1228	W1211-D1224 HydrophobicContact CH2-CB 4.48Å; W1211-D1224 HydrophobicContact CZ2-CB 3.6Å; W1211-D1224 VanDerWaalsContact CZ2-CG 3.4Å; W1211-D1224 WeakPolarHBondContact CZ2-OD1 3.47Å; I1220-D1224 HydrophobicContact CD1-CB 4.26Å; I1220-D1224 HydrophobicContact CG1-CB 3.56Å; T1221-D1224 VanDerWaalsContact CB-OD2 3.23Å; T1221-D1224 WeakPolarHBondContact CB-OD2 3.3Å; T1221-D1224 WeakPolarHBondContact CG2-OD2 3.47Å; T1221-D1224 PolarHBondContact N-OD2 2.99Å; T1221-D1224 PolarHBondContact O-N 3.29Å; T1221-D1224 VanDerWaalsContact OG1-CG 3.23Å; T1221-D1224 PolarHBondContact OG1-N 3.22Å; T1221-D1224 PolarHBondContact OG1-OD2 2.98Å; D1224-E1227 PolarHBondContact O-N 3.16Å; D1224-A1228 VanDerWaalsContact O-CB 3.31Å; D1224-A1228 WeakPolarHBondContact O-CB 3.26Å; D1224-A1228 PolarHBondContact O-N 3.05Å
1225	L	85.8	Confident	77.2	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-66.9	-35.8	174.1	-79.4	169.4	0	0	0	112.3	L1206 I1220 T1221 E1223 A1228 G1229 V1230 K1236 L1239 L1240	L1206-L1225 HydrophobicContact CD2-CD2 4.31Å; I1220-L1225 HydrophobicContact CD1-CD2 3.74Å; I1220-L1225 HydrophobicContact CD1-CG 3.9Å; I1220-L1225 HydrophobicContact CG1-CD2 4.47Å; I1220-L1225 HydrophobicContact CG1-CG 4.12Å; I1220-L1225 HydrophobicContact CG2-CG 4.47Å; T1221-L1225 WeakPolarHBondContact O-CG 3.35Å; T1221-L1225 PolarHBondContact O-N 2.94Å; T1221-L1225 VanDerWaalsContact O-N 3.13Å; E1223-L1225 PolarHBondContact O-N 3.19Å; L1225-A1228 CarbonylContact O-C 3.59Å; L1225-A1228 PolarHBondContact O-N 3.49Å; L1225-G1229 PolarHBondContact O-N 3.4Å; L1225-V1230 HydrophobicContact CB-CB 4.21Å; L1225-V1230 HydrophobicContact CD2-CB 4.22Å; L1225-V1230 HydrophobicContact CD2-CG2 3.86Å; L1225-V1230 WeakPolarHBondContact O-CA 3.47Å; L1225-V1230 WeakPolarHBondContact O-CB 3.35Å; L1225-V1230 WeakPolarHBondContact O-CG2 3.44Å; L1225-V1230 PolarHBondContact O-N 3.11Å; L1225-K1236 HydrophobicContact CB-CD 4.32Å; L1225-K1236 HydrophobicContact CB-CG 4.35Å; L1225-K1236 HydrophobicContact CD1-CB 4.14Å; L1225-K1236 HydrophobicContact CD1-CG 4.42Å; L1225-L1239 HydrophobicContact CD2-CB 4.49Å; L1225-L1239 HydrophobicContact CD2-CD1 3.64Å; L1225-L1240 HydrophobicContact CD1-CD1 4.02Å; L1225-L1240 HydrophobicContact CD1-CD2 3.85Å; L1225-L1240 HydrophobicContact CD1-CG 3.73Å
1226	E	84.3	Confident	78.8	Confident	100 Å²	100	59.1 Å²	59.1	47%	0.467	32%	0.321	S	S	.	.	H	α-helix	trans	-69.5	-40.6	173.3	-70	-169.9	167.9	0	0	112.2	E1222 E1223 A1228 G1229 L1231 K1236	E1222-E1226 PolarHBondContact O-N 2.96Å; E1223-E1226 PolarHBondContact O-N 3.43Å; E1226-A1228 VanDerWaalsContact C-N 3.28Å; E1226-A1228 PolarHBondContact O-N 2.71Å; E1226-G1229 WeakPolarHBondContact O-CA 3.14Å; E1226-G1229 PolarHBondContact O-N 3.22Å; E1226-L1231 HydrophobicContact CB-CD2 4Å; E1226-L1231 HydrophobicContact CG-CD2 4.1Å; E1226-K1236 VanDerWaalsContact CD-NZ 3.3Å; E1226-K1236 IonicContact OE1-NZ 2.58Å; E1226-K1236 PolarHBondContact OE1-NZ 2.87Å
1227	E	73.6	Confident	80.3	Confident	145 Å²	145	61.2 Å²	61.2	68%	0.678	33%	0.332	S	S	*	.	H	α-helix	trans	-66.4	-30.9	175.2	-163.7	167.6	-144.2	0	0	111.9	N1209 E1223 D1224 G1229	N1209-E1227 PolarHBondContact ND2-O 3.34Å; E1223-E1227 PolarHBondContact O-N 3.37Å; D1224-E1227 PolarHBondContact O-N 3.16Å; E1227-G1229 PolarHBondContact O-N 2.81Å
1228	A	79.6	Confident	81.7	Confident	4 Å²	4	64.6 Å²	64.6	3%	0.033	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	2.4	166.7	0	0	0	0	0	114.8	L1206 N1209 D1224 L1225 E1226 V1230	L1206-A1228 HydrophobicContact CD2-CB 3.61Å; L1206-A1228 HydrophobicContact CG-CB 4.01Å; N1209-A1228 WeakPolarHBondContact ND2-CA 3.24Å; D1224-A1228 VanDerWaalsContact O-CB 3.31Å; D1224-A1228 WeakPolarHBondContact O-CB 3.26Å; D1224-A1228 PolarHBondContact O-N 3.05Å; L1225-A1228 CarbonylContact O-C 3.59Å; L1225-A1228 PolarHBondContact O-N 3.49Å; E1226-A1228 VanDerWaalsContact C-N 3.28Å; E1226-A1228 PolarHBondContact O-N 2.71Å; A1228-V1230 HydrophobicContact CB-CG2 4.46Å
1229	G	83.6	Confident	82.7	Confident	38 Å²	38	62.6 Å²	62.6	39%	0.392	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	7	176.6	0	0	0	0	0	115.3	Y1202 L1225 E1226 E1227 L1231	Y1202-G1229 WeakPolarHBondContact CE1-O 3.46Å; L1225-G1229 PolarHBondContact O-N 3.4Å; E1226-G1229 WeakPolarHBondContact O-CA 3.14Å; E1226-G1229 PolarHBondContact O-N 3.22Å; E1227-G1229 PolarHBondContact O-N 2.81Å; G1229-L1231 PolarHBondContact O-N 2.86Å
1230	V	90	Very high	83.9	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.332	C	S	.	.			trans	-79.7	60.2	177.6	-162.2	0	0	0	0	110.9	Y1202 L1225 A1228 D1232 H1235 K1236 L1239	Y1202-V1230 HydrophobicContact CD1-CB 4.36Å; Y1202-V1230 HydrophobicContact CD1-CG2 3.74Å; Y1202-V1230 HydrophobicContact CD2-CG1 4.35Å; Y1202-V1230 HydrophobicContact CD2-CG2 4.35Å; Y1202-V1230 HydrophobicContact CE1-CB 4.2Å; Y1202-V1230 HydrophobicContact CE1-CG1 4.26Å; Y1202-V1230 HydrophobicContact CE1-CG2 4.08Å; Y1202-V1230 HydrophobicContact CE2-CG1 3.99Å; Y1202-V1230 HydrophobicContact CG-CG2 3.86Å; L1225-V1230 HydrophobicContact CB-CB 4.21Å; L1225-V1230 HydrophobicContact CD2-CB 4.22Å; L1225-V1230 HydrophobicContact CD2-CG2 3.86Å; L1225-V1230 WeakPolarHBondContact O-CA 3.47Å; L1225-V1230 WeakPolarHBondContact O-CB 3.35Å; L1225-V1230 WeakPolarHBondContact O-CG2 3.44Å; L1225-V1230 PolarHBondContact O-N 3.11Å; A1228-V1230 HydrophobicContact CB-CG2 4.46Å; V1230-D1232 PolarHBondContact O-N 3.23Å; V1230-H1235 HydrophobicContact CG1-CB 3.94Å; V1230-K1236 HydrophobicContact CB-CG 4.38Å; V1230-K1236 HydrophobicContact CG1-CG 3.93Å; V1230-K1236 WeakPolarHBondContact O-CE 3.5Å; V1230-K1236 WeakPolarHBondContact O-CG 3.44Å; V1230-L1239 HydrophobicContact CG1-CD1 3.88Å; V1230-L1239 HydrophobicContact CG2-CD1 4.11Å
1231	L	87	Confident	84.3	Confident	127 Å²	127	66.2 Å²	66.2	67%	0.665	35%	0.351	S	S	*	.			trans	-73.2	13.2	-179	-55.1	179	0	0	0	114.5	E1226 G1229	E1226-L1231 HydrophobicContact CB-CD2 4Å; E1226-L1231 HydrophobicContact CG-CD2 4.1Å; G1229-L1231 PolarHBondContact O-N 2.86Å
1232	D	90.8	Very high	84.4	Confident	59 Å²	59	64 Å²	64	32%	0.316	34%	0.338	S	S	.	.			trans	-116.2	109.1	-174.6	-173	-34.3	0	0	0	109.4	R1201 V1230 A1234 H1235 K1236	R1201-D1232 IonicContact NH2-OD2 3.4Å; V1230-D1232 PolarHBondContact O-N 3.23Å; D1232-A1234 PolarHBondContact O-N 3.02Å; D1232-A1234 VanDerWaalsContact O-N 3.12Å; D1232-A1234 PolarHBondContact OD1-N 3.33Å; D1232-H1235 HydrophobicContact CB-CB 4.31Å; D1232-H1235 VanDerWaalsContact CB-ND1 3.29Å; D1232-H1235 WeakPolarHBondContact CB-ND1 3.48Å; D1232-H1235 VanDerWaalsContact CG-CE1 3.47Å; D1232-H1235 PolarHBondContact O-N 3.18Å; D1232-H1235 IonicContact OD1-CE1 2.66Å; D1232-H1235 IonicContact OD1-ND1 2.91Å; D1232-H1235 IonicContact OD2-CE1 2.59Å; D1232-H1235 PolarHBondContact OD2-CE1 3.2Å; D1232-H1235 IonicContact OD2-ND1 4Å; D1232-H1235 PolarHBondContact OD2-ND1 2.92Å; D1232-K1236 PolarHBondContact O-N 3.25Å
1233	P	84.1	Confident	84.4	Confident	92 Å²	92	59.1 Å²	59.1	60%	0.597	32%	0.316	S	S	*	.	H	α-helix	trans	-56.2	-32.5	-172.3	-28.2	35.5	0	0	0	114.3	K1236 Q1237	P1233-K1236 PolarHBondContact O-N 3.28Å; P1233-Q1237 WeakPolarHBondContact O-CB 3.36Å; P1233-Q1237 PolarHBondContact O-N 2.83Å
1234	A	85	Confident	84.3	Confident	51 Å²	51	58.6 Å²	58.6	42%	0.421	31%	0.307	S	S	.	.	H	α-helix	trans	-68	-40.8	178.1	0	0	0	0	0	111.3	D1232 Q1237 I1238	D1232-A1234 PolarHBondContact O-N 3.02Å; D1232-A1234 VanDerWaalsContact O-N 3.12Å; D1232-A1234 PolarHBondContact OD1-N 3.33Å; A1234-Q1237 PolarHBondContact O-N 2.88Å; A1234-I1238 WeakPolarHBondContact O-CD1 3.33Å; A1234-I1238 VanDerWaalsContact O-CG1 3.24Å; A1234-I1238 WeakPolarHBondContact O-CG1 3.16Å; A1234-I1238 PolarHBondContact O-N 2.92Å
1235	H	91.7	Very high	84	Confident	36 Å²	36	61.2 Å²	61.2	17%	0.167	32%	0.318	C	S	.	.	H	α-helix	trans	-71.6	-37.4	176.4	-57.4	121.9	0	0	0	111.8	L1199 R1201 Y1202 V1230 D1232 Q1237 I1238 L1239	L1199-H1235 HydrophobicContact CD1-CB 4.44Å; L1199-H1235 HydrophobicContact CD2-CB 4.11Å; L1199-H1235 WeakPolarHBondContact CD2-CD2 3.43Å; R1201-H1235 PolarHBondContact NH1-CE1 3.26Å; R1201-H1235 PolarHBondContact NH2-CE1 3.45Å; R1201-H1235 PolarHBondContact NH2-ND1 3.13Å; Y1202-H1235 HydrophobicContact CE2-CB 3.87Å; Y1202-H1235 AromaticContact CE2-CG 3.99Å; V1230-H1235 HydrophobicContact CG1-CB 3.94Å; D1232-H1235 HydrophobicContact CB-CB 4.31Å; D1232-H1235 VanDerWaalsContact CB-ND1 3.29Å; D1232-H1235 WeakPolarHBondContact CB-ND1 3.48Å; D1232-H1235 VanDerWaalsContact CG-CE1 3.47Å; D1232-H1235 PolarHBondContact O-N 3.18Å; D1232-H1235 IonicContact OD1-CE1 2.66Å; D1232-H1235 IonicContact OD1-ND1 2.91Å; D1232-H1235 IonicContact OD2-CE1 2.59Å; D1232-H1235 PolarHBondContact OD2-CE1 3.2Å; D1232-H1235 IonicContact OD2-ND1 4Å; D1232-H1235 PolarHBondContact OD2-ND1 2.92Å; H1235-Q1237 VanDerWaalsContact C-N 3.35Å; H1235-Q1237 PolarHBondContact O-N 2.78Å; H1235-I1238 PolarHBondContact O-N 2.72Å; H1235-L1239 VanDerWaalsContact O-CG 3.26Å; H1235-L1239 WeakPolarHBondContact O-CG 3.39Å; H1235-L1239 PolarHBondContact O-N 3.49Å
1236	K	90.3	Very high	82.9	Confident	7 Å²	7	63.8 Å²	63.8	3%	0.03	33%	0.33	C	S	.	.	H	α-helix	trans	-56.7	-49.2	171.1	-59.8	-163.5	-157	174.6	0	111.4	E1222 L1225 E1226 V1230 D1232 P1233 I1238 L1239 L1240	E1222-K1236 HydrophobicContact CG-CD 3.34Å; E1222-K1236 WeakPolarHBondContact OE1-CD 3.49Å; E1222-K1236 IonicContact OE1-NZ 2.65Å; E1222-K1236 PolarHBondContact OE1-NZ 3.45Å; L1225-K1236 HydrophobicContact CB-CD 4.32Å; L1225-K1236 HydrophobicContact CB-CG 4.35Å; L1225-K1236 HydrophobicContact CD1-CB 4.14Å; L1225-K1236 HydrophobicContact CD1-CG 4.42Å; E1226-K1236 VanDerWaalsContact CD-NZ 3.3Å; E1226-K1236 IonicContact OE1-NZ 2.58Å; E1226-K1236 PolarHBondContact OE1-NZ 2.87Å; V1230-K1236 HydrophobicContact CB-CG 4.38Å; V1230-K1236 HydrophobicContact CG1-CG 3.93Å; V1230-K1236 WeakPolarHBondContact O-CE 3.5Å; V1230-K1236 WeakPolarHBondContact O-CG 3.44Å; D1232-K1236 PolarHBondContact O-N 3.25Å; P1233-K1236 PolarHBondContact O-N 3.28Å; K1236-I1238 PolarHBondContact O-N 2.91Å; K1236-L1239 PolarHBondContact O-N 3.46Å; K1236-L1240 WeakPolarHBondContact O-CG 3.48Å; K1236-L1240 PolarHBondContact O-N 3.48Å
1237	Q	87.6	Confident	81.8	Confident	123 Å²	123	63.8 Å²	63.8	58%	0.575	33%	0.33	S	S	*	.	H	α-helix	trans	-60.1	-45.5	179.4	-174.4	179.4	-15	0	0	111.7	P1233 A1234 H1235 L1239 L1240 E1241	P1233-Q1237 WeakPolarHBondContact O-CB 3.36Å; P1233-Q1237 PolarHBondContact O-N 2.83Å; A1234-Q1237 PolarHBondContact O-N 2.88Å; H1235-Q1237 VanDerWaalsContact C-N 3.35Å; H1235-Q1237 PolarHBondContact O-N 2.78Å; Q1237-L1239 VanDerWaalsContact C-N 3.34Å; Q1237-L1239 PolarHBondContact O-N 2.72Å; Q1237-L1240 PolarHBondContact O-N 2.77Å; Q1237-E1241 WeakPolarHBondContact O-CB 3.42Å; Q1237-E1241 PolarHBondContact O-N 2.99Å
1238	I	89.6	Confident	81.1	Confident	72 Å²	72	63.4 Å²	63.4	37%	0.369	33%	0.328	S	S	.	.	H	α-helix	trans	-60.5	-41.6	178.4	-70	163.1	0	0	0	111.8	L1197 L1199 A1234 H1235 K1236 S1242	L1197-I1238 HydrophobicContact CB-CG2 4.31Å; L1197-I1238 HydrophobicContact CD1-CG2 4.31Å; L1197-I1238 HydrophobicContact CD2-CG2 4.07Å; L1197-I1238 HydrophobicContact CG-CG2 4.47Å; L1199-I1238 HydrophobicContact CD1-CB 4.24Å; L1199-I1238 HydrophobicContact CD1-CG2 3.78Å; A1234-I1238 WeakPolarHBondContact O-CD1 3.33Å; A1234-I1238 VanDerWaalsContact O-CG1 3.24Å; A1234-I1238 WeakPolarHBondContact O-CG1 3.16Å; A1234-I1238 PolarHBondContact O-N 2.92Å; H1235-I1238 PolarHBondContact O-N 2.72Å; K1236-I1238 PolarHBondContact O-N 2.91Å; I1238-S1242 VanDerWaalsContact O-CB 3.24Å; I1238-S1242 WeakPolarHBondContact O-CB 3.18Å; I1238-S1242 PolarHBondContact O-N 2.75Å
1239	L	85.5	Confident	79.7	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-65.1	-53.3	177.8	-67.1	166.3	0	0	0	111.1	W1193 L1194 L1197 L1199 L1225 V1230 H1235 K1236 Q1237 E1241 S1242 L1243	W1193-L1239 HydrophobicContact CH2-CB 4.05Å; W1193-L1239 HydrophobicContact CH2-CD2 3.35Å; W1193-L1239 HydrophobicContact CH2-CG 4.29Å; W1193-L1239 HydrophobicContact CZ2-CB 4.47Å; W1193-L1239 HydrophobicContact CZ2-CD2 3.9Å; W1193-L1239 HydrophobicContact CZ3-CD2 3.84Å; L1194-L1239 HydrophobicContact CD2-CD2 3.38Å; L1197-L1239 HydrophobicContact CD1-CD2 3.97Å; L1199-L1239 HydrophobicContact CB-CD2 4.46Å; L1199-L1239 HydrophobicContact CD1-CD1 4.35Å; L1199-L1239 HydrophobicContact CD1-CD2 3.58Å; L1199-L1239 HydrophobicContact CD1-CG 3.66Å; L1225-L1239 HydrophobicContact CD2-CB 4.49Å; L1225-L1239 HydrophobicContact CD2-CD1 3.64Å; V1230-L1239 HydrophobicContact CG1-CD1 3.88Å; V1230-L1239 HydrophobicContact CG2-CD1 4.11Å; H1235-L1239 VanDerWaalsContact O-CG 3.26Å; H1235-L1239 WeakPolarHBondContact O-CG 3.39Å; H1235-L1239 PolarHBondContact O-N 3.49Å; K1236-L1239 PolarHBondContact O-N 3.46Å; Q1237-L1239 VanDerWaalsContact C-N 3.34Å; Q1237-L1239 PolarHBondContact O-N 2.72Å; L1239-E1241 VanDerWaalsContact C-N 3.33Å; L1239-E1241 PolarHBondContact O-N 3.22Å; L1239-S1242 PolarHBondContact O-N 2.84Å; L1239-L1243 WeakPolarHBondContact O-CD1 3.2Å; L1239-L1243 VanDerWaalsContact O-CG 3.32Å; L1239-L1243 WeakPolarHBondContact O-CG 3.5Å; L1239-L1243 PolarHBondContact O-N 3.4Å
1240	L	85.3	Confident	77.7	Confident	62 Å²	62	78.9 Å²	78.9	33%	0.325	39%	0.386	S	S	.	.	H	α-helix	trans	-61.1	-40.6	-179.8	-66.7	171	0	0	0	112.1	I1220 L1225 K1236 Q1237 R1244	I1220-L1240 HydrophobicContact CG2-CD2 4.02Å; I1220-L1240 VanDerWaalsContact O-CD2 3.31Å; I1220-L1240 WeakPolarHBondContact O-CD2 3.23Å; L1225-L1240 HydrophobicContact CD1-CD1 4.02Å; L1225-L1240 HydrophobicContact CD1-CD2 3.85Å; L1225-L1240 HydrophobicContact CD1-CG 3.73Å; K1236-L1240 WeakPolarHBondContact O-CG 3.48Å; K1236-L1240 PolarHBondContact O-N 3.48Å; Q1237-L1240 PolarHBondContact O-N 2.77Å; L1240-R1244 WeakPolarHBondContact O-CB 3.33Å; L1240-R1244 PolarHBondContact O-N 3.27Å
1241	E	84.1	Confident	77.1	Confident	97 Å²	97	82.8 Å²	82.8	45%	0.453	41%	0.406	S	S	.	.	H	α-helix	trans	-71.3	-36.8	178.7	-170.5	163	-173.6	0	0	112.1	Q1237 L1239 R1244 Q1245	Q1237-E1241 WeakPolarHBondContact O-CB 3.42Å; Q1237-E1241 PolarHBondContact O-N 2.99Å; L1239-E1241 VanDerWaalsContact C-N 3.33Å; L1239-E1241 PolarHBondContact O-N 3.22Å; E1241-R1244 PolarHBondContact O-N 3.37Å; E1241-Q1245 WeakPolarHBondContact O-CG 3.38Å; E1241-Q1245 PolarHBondContact O-N 3.23Å
1242	S	82.6	Confident	76.6	Confident	18 Å²	18	80.5 Å²	80.5	13%	0.126	39%	0.392	C	S	.	.	H	α-helix	trans	-66.7	-41.7	173.9	-176.2	0	0	0	0	112.6	W1193 I1238 L1239 R1244 Q1245 Q1246	W1193-S1242 PolarHBondContact NE1-OG 3.29Å; I1238-S1242 VanDerWaalsContact O-CB 3.24Å; I1238-S1242 WeakPolarHBondContact O-CB 3.18Å; I1238-S1242 PolarHBondContact O-N 2.75Å; L1239-S1242 PolarHBondContact O-N 2.84Å; S1242-R1244 VanDerWaalsContact C-N 3.33Å; S1242-R1244 PolarHBondContact O-N 3.34Å; S1242-Q1245 PolarHBondContact O-N 3.16Å; S1242-Q1246 PolarHBondContact O-N 3.24Å
1243	L	78.3	Confident	75.8	Confident	7 Å²	7	81.7 Å²	81.7	4%	0.037	40%	0.396	C	S	.	.	H	α-helix	trans	-62.5	-42.2	175	-70.3	160.6	0	0	0	111.2	W1193 L1217 I1220 L1239 Q1245 Q1246 Q1247	W1193-L1243 HydrophobicContact CH2-CD1 3.74Å; W1193-L1243 HydrophobicContact CH2-CD2 3.91Å; W1193-L1243 HydrophobicContact CH2-CG 3.71Å; W1193-L1243 HydrophobicContact CZ2-CD1 4.05Å; W1193-L1243 HydrophobicContact CZ2-CD2 3.8Å; W1193-L1243 HydrophobicContact CZ2-CG 3.52Å; W1193-L1243 HydrophobicContact CZ3-CD2 4.48Å; L1217-L1243 HydrophobicContact CB-CD1 4.32Å; L1217-L1243 HydrophobicContact CB-CD2 3.71Å; L1217-L1243 VanDerWaalsContact O-CD1 3.32Å; L1217-L1243 WeakPolarHBondContact O-CD1 3.46Å; I1220-L1243 HydrophobicContact CG2-CD1 3.64Å; L1239-L1243 WeakPolarHBondContact O-CD1 3.2Å; L1239-L1243 VanDerWaalsContact O-CG 3.32Å; L1239-L1243 WeakPolarHBondContact O-CG 3.5Å; L1239-L1243 PolarHBondContact O-N 3.4Å; L1243-Q1245 VanDerWaalsContact C-N 3.31Å; L1243-Q1245 PolarHBondContact O-N 3.22Å; L1243-Q1246 PolarHBondContact O-N 3.46Å; L1243-Q1247 PolarHBondContact O-N 3.02Å
1244	R	74.3	Confident	75.3	Confident	148 Å²	148	81.1 Å²	81.1	56%	0.558	38%	0.384	S	S	*	.	H	α-helix	trans	-63.2	-34.5	174.4	-166.9	-179.1	-170.2	-162.2	4.7	112.8	L1240 E1241 S1242 Q1248	L1240-R1244 WeakPolarHBondContact O-CB 3.33Å; L1240-R1244 PolarHBondContact O-N 3.27Å; E1241-R1244 PolarHBondContact O-N 3.37Å; S1242-R1244 VanDerWaalsContact C-N 3.33Å; S1242-R1244 PolarHBondContact O-N 3.34Å; R1244-Q1248 WeakPolarHBondContact O-CG 3.41Å; R1244-Q1248 PolarHBondContact O-N 2.9Å
1245	Q	70.9	Confident	74.7	Confident	99 Å²	99	82.9 Å²	82.9	46%	0.463	38%	0.382	S	S	.	.	H	α-helix	trans	-70.7	-38.2	172.9	-73	175.5	24	0	0	112	E1241 S1242 L1243 Q1248 Q1249	E1241-Q1245 WeakPolarHBondContact O-CG 3.38Å; E1241-Q1245 PolarHBondContact O-N 3.23Å; S1242-Q1245 PolarHBondContact O-N 3.16Å; L1243-Q1245 VanDerWaalsContact C-N 3.31Å; L1243-Q1245 PolarHBondContact O-N 3.22Å; Q1245-Q1248 PolarHBondContact O-N 3.29Å; Q1245-Q1248 VanDerWaalsContact O-N 3.16Å; Q1245-Q1249 WeakPolarHBondContact O-CG 3.23Å; Q1245-Q1249 PolarHBondContact O-N 3.01Å
1246	Q	64.1	Low	73.5	Confident	55 Å²	55	86.1 Å²	86.1	26%	0.257	40%	0.396	S	S	.	.	H	α-helix	trans	-65.6	-39.9	173.1	-72.8	-171.4	-8.8	0	0	112.3	W1193 S1242 L1243 Q1248 Q1249 K1250	W1193-Q1246 VanDerWaalsContact CD1-NE2 3.32Å; S1242-Q1246 PolarHBondContact O-N 3.24Å; L1243-Q1246 PolarHBondContact O-N 3.46Å; Q1246-Q1248 PolarHBondContact O-N 3.29Å; Q1246-Q1249 PolarHBondContact O-N 2.91Å; Q1246-K1250 PolarHBondContact O-N 2.64Å
1247	Q	60.6	Low	72.3	Confident	100 Å²	100	91.7 Å²	91.7	47%	0.467	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.6	171.9	-77.9	-179.7	-18.9	0	0	113.9	S1218 L1243	S1218-Q1247 VanDerWaalsContact CB-NE2 3.29Å; S1218-Q1247 PolarHBondContact O-NE2 2.92Å; S1218-Q1247 PolarHBondContact OG-NE2 3.07Å; L1243-Q1247 PolarHBondContact O-N 3.02Å
1248	Q	59.3	Low	71.2	Confident	137 Å²	137	89.3 Å²	89.3	64%	0.64	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-1.7	174.5	-70.2	174.6	13.3	0	0	113.4	R1244 Q1245 Q1246	R1244-Q1248 WeakPolarHBondContact O-CG 3.41Å; R1244-Q1248 PolarHBondContact O-N 2.9Å; Q1245-Q1248 PolarHBondContact O-N 3.29Å; Q1245-Q1248 VanDerWaalsContact O-N 3.16Å; Q1246-Q1248 PolarHBondContact O-N 3.29Å
1249	Q	48.4	Very low	69.6	Low	165 Å²	165	90.8 Å²	90.8	77%	0.771	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-10.8	178.1	-68.5	180	10	0	0	113.5	Q1245 Q1246	Q1245-Q1249 WeakPolarHBondContact O-CG 3.23Å; Q1245-Q1249 PolarHBondContact O-N 3.01Å; Q1246-Q1249 PolarHBondContact O-N 2.91Å
1250	K	42.5	Very low	68.2	Low	201 Å²	201	99 Å²	99	87%	0.874	45%	0.452	S	S	*	.			trans	-87.4	0	164.9	-78.2	-171.6	173.9	179.2	0	111	E1215 Q1246	E1215-K1250 IonicContact OE1-NZ 3.65Å; E1215-K1250 PolarHBondContact OE1-NZ 3.09Å; Q1246-K1250 PolarHBondContact O-N 2.64Å

Retrieved 1,250 of 1,250 residues in 793.3 ms (Link to these results)

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